Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616315 | 5l82 RC | 34006 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 1 H MET 1 1.808 -0.000 0.855
2 HA MET 1 HA MET 1 2.833 -0.783 -1.175
3 HB2 MET 1 2HB MET 1 1.752 -0.230 -3.341
4 HB3 MET 1 3HB MET 1 0.773 -1.285 -2.330
5 HG2 MET 1 2HG MET 1 -0.003 1.317 -1.672
6 HG3 MET 1 3HG MET 1 0.152 1.292 -3.427
7 HE1 MET 1 1HE MET 1 -2.666 1.368 -1.198
8 HE2 MET 1 2HE MET 1 -2.407 2.076 -2.792
9 HE3 MET 1 3HE MET 1 -3.708 0.910 -2.545
10 H LYS 2 H LYS 2 4.458 0.394 -2.059
11 HA LYS 2 HA LYS 2 4.169 3.263 -2.415
12 HB2 LYS 2 2HB LYS 2 6.247 2.100 -0.550
13 HB3 LYS 2 3HB LYS 2 6.143 3.786 -1.040
14 HG2 LYS 2 2HG LYS 2 3.791 3.740 -0.033
15 HG3 LYS 2 3HG LYS 2 4.295 2.233 0.734
16 HD2 LYS 2 2HD LYS 2 6.299 3.523 1.612
17 HD3 LYS 2 3HD LYS 2 5.461 4.985 1.087
18 HE2 LYS 2 2HE LYS 2 3.582 4.453 2.528
19 HE3 LYS 2 3HE LYS 2 4.347 2.938 3.003
20 HZ1 LYS 2 1HZ LYS 2 5.406 4.012 4.601
21 HZ2 LYS 2 2HZ LYS 2 4.667 5.465 4.150
22 HZ3 LYS 2 3HZ LYS 2 6.153 5.026 3.471
23 H PHE 3 H PHE 3 4.380 1.989 -4.563
24 HA PHE 3 HA PHE 3 7.227 1.687 -5.247
25 HB2 PHE 3 2HB PHE 3 4.736 0.397 -6.302
26 HB3 PHE 3 3HB PHE 3 6.153 0.529 -7.338
27 HD1 PHE 3 HD1 PHE 3 7.320 -1.432 -7.476
28 HD2 PHE 3 HD2 PHE 3 5.578 -0.335 -3.750
29 HE1 PHE 3 HE1 PHE 3 8.262 -3.457 -6.443
30 HE2 PHE 3 HE2 PHE 3 6.519 -2.358 -2.711
31 HZ PHE 3 HZ PHE 3 7.863 -3.921 -4.058
32 H LYS 4 H LYS 4 7.768 2.297 -7.533
33 HA LYS 4 HA LYS 4 6.367 4.788 -8.249
34 HB2 LYS 4 2HB LYS 4 9.230 4.092 -8.906
35 HB3 LYS 4 3HB LYS 4 8.442 5.656 -9.075
36 HG2 LYS 4 2HG LYS 4 9.444 6.105 -7.125
37 HG3 LYS 4 3HG LYS 4 8.095 5.202 -6.431
38 HD2 LYS 4 2HD LYS 4 9.843 4.110 -5.440
39 HD3 LYS 4 3HD LYS 4 9.689 3.147 -6.911
40 HE2 LYS 4 2HE LYS 4 11.618 3.956 -7.806
41 HE3 LYS 4 3HE LYS 4 11.447 5.530 -7.029
42 HZ1 LYS 4 1HZ LYS 4 12.700 4.879 -5.332
43 HZ2 LYS 4 2HZ LYS 4 13.122 3.523 -6.249
44 HZ3 LYS 4 3HZ LYS 4 11.851 3.428 -5.136
45 H PHE 5 H PHE 5 7.584 1.737 -9.385
46 HA PHE 5 HA PHE 5 7.057 2.373 -12.169
47 HB2 PHE 5 2HB PHE 5 8.201 0.005 -10.725
48 HB3 PHE 5 3HB PHE 5 7.654 -0.157 -12.391
49 HD1 PHE 5 HD1 PHE 5 9.608 2.369 -10.451
50 HD2 PHE 5 HD2 PHE 5 9.355 -0.090 -13.916
51 HE1 PHE 5 HE1 PHE 5 11.761 3.262 -11.238
52 HE2 PHE 5 HE2 PHE 5 11.508 0.798 -14.708
53 HZ PHE 5 HZ PHE 5 12.715 2.476 -13.368
54 H ASN 6 H ASN 6 5.650 0.505 -9.549
55 HA ASN 6 HA ASN 6 3.800 -1.031 -10.903
56 HB2 ASN 6 2HB ASN 6 4.055 0.051 -8.182
57 HB3 ASN 6 3HB ASN 6 2.398 -0.297 -8.666
58 HD21 ASN 6 1HD2 ASN 6 5.512 -1.868 -9.311
59 HD22 ASN 6 2HD2 ASN 6 5.034 -3.429 -8.747
60 HA PRO 7 HA PRO 7 0.743 1.611 -12.611
61 HB2 PRO 7 2HB PRO 7 -1.556 0.261 -12.095
62 HB3 PRO 7 3HB PRO 7 -0.374 -0.277 -13.295
63 HG2 PRO 7 2HG PRO 7 -0.779 -1.215 -10.481
64 HG3 PRO 7 3HG PRO 7 -0.471 -2.168 -11.945
65 HD2 PRO 7 2HD PRO 7 1.471 -1.585 -10.151
66 HD3 PRO 7 3HD PRO 7 1.796 -1.756 -11.888
67 H THR 8 H THR 8 0.167 0.552 -9.294
68 HA THR 8 HA THR 8 -1.887 2.317 -8.612
69 HB THR 8 HB THR 8 -0.992 0.375 -7.227
70 HG1 THR 8 HG1 THR 8 -1.335 1.764 -5.207
71 HG21 THR 8 1HG2 THR 8 0.928 2.491 -6.248
72 HG22 THR 8 2HG2 THR 8 1.375 1.113 -7.253
73 HG23 THR 8 3HG2 THR 8 0.756 0.851 -5.623
74 H GLY 9 H GLY 9 1.428 2.919 -9.242
75 HA2 GLY 9 2HA GLY 9 2.038 5.096 -7.656
76 HA3 GLY 9 3HA GLY 9 2.626 4.879 -9.298
77 H THR 10 H THR 10 0.184 5.053 -10.673
78 HA THR 10 HA THR 10 -0.118 7.901 -10.757
79 HB THR 10 HB THR 10 -1.692 5.783 -12.234
80 HG1 THR 10 HG1 THR 10 -0.127 6.699 -13.941
81 HG21 THR 10 1HG2 THR 10 -2.832 7.429 -13.221
82 HG22 THR 10 2HG2 THR 10 -1.354 8.327 -13.565
83 HG23 THR 10 3HG2 THR 10 -2.164 8.522 -12.011
84 H ILE 11 H ILE 11 -2.330 5.207 -10.020
85 HA ILE 11 HA ILE 11 -4.596 6.684 -9.416
86 HB ILE 11 HB ILE 11 -3.680 4.106 -8.137
87 HG12 ILE 11 2HG1 ILE 11 -5.727 3.539 -9.895
88 HG13 ILE 11 3HG1 ILE 11 -4.830 4.794 -10.743
89 HG21 ILE 11 1HG2 ILE 11 -6.056 3.763 -7.606
90 HG22 ILE 11 2HG2 ILE 11 -5.389 5.176 -6.789
91 HG23 ILE 11 3HG2 ILE 11 -6.412 5.381 -8.211
92 HD11 ILE 11 1HD1 ILE 11 -2.770 3.309 -10.094
93 HD12 ILE 11 2HD1 ILE 11 -3.997 2.047 -9.986
94 HD13 ILE 11 3HD1 ILE 11 -3.767 2.925 -11.497
95 H VAL 12 H VAL 12 -2.137 5.485 -7.126
96 HA VAL 12 HA VAL 12 -3.144 6.632 -4.815
97 HB VAL 12 HB VAL 12 -0.254 6.179 -5.567
98 HG11 VAL 12 1HG1 VAL 12 -1.498 6.732 -2.876
99 HG12 VAL 12 2HG1 VAL 12 0.168 6.209 -3.133
100 HG13 VAL 12 3HG1 VAL 12 -0.374 7.770 -3.752
101 HG21 VAL 12 1HG2 VAL 12 -1.698 4.446 -3.651
102 HG22 VAL 12 2HG2 VAL 12 -2.130 4.290 -5.353
103 HG23 VAL 12 3HG2 VAL 12 -0.462 4.038 -4.841
104 H LYS 13 H LYS 13 -1.328 8.089 -7.418
105 HA LYS 13 HA LYS 13 -0.730 10.513 -6.004
106 HB2 LYS 13 2HB LYS 13 0.646 10.860 -7.729
107 HB3 LYS 13 3HB LYS 13 0.117 9.316 -8.385
108 HG2 LYS 13 2HG LYS 13 -1.655 10.451 -9.628
109 HG3 LYS 13 3HG LYS 13 -1.119 12.000 -8.972
110 HD2 LYS 13 2HD LYS 13 0.863 10.279 -10.383
111 HD3 LYS 13 3HD LYS 13 -0.321 11.169 -11.343
112 HE2 LYS 13 2HE LYS 13 0.904 12.800 -9.268
113 HE3 LYS 13 3HE LYS 13 2.085 12.140 -10.397
114 HZ1 LYS 13 1HZ LYS 13 1.269 13.352 -12.104
115 HZ2 LYS 13 2HZ LYS 13 0.781 14.382 -10.855
116 HZ3 LYS 13 3HZ LYS 13 -0.327 13.306 -11.545
117 H LYS 14 H LYS 14 -3.269 9.389 -8.145
118 HA LYS 14 HA LYS 14 -4.454 11.981 -8.494
119 HB2 LYS 14 2HB LYS 14 -5.492 9.201 -9.065
120 HB3 LYS 14 3HB LYS 14 -6.346 10.679 -9.488
121 HG2 LYS 14 2HG LYS 14 -3.674 9.774 -10.537
122 HG3 LYS 14 3HG LYS 14 -5.201 9.838 -11.421
123 HD2 LYS 14 2HD LYS 14 -5.240 12.292 -11.088
124 HD3 LYS 14 3HD LYS 14 -3.658 12.183 -10.314
125 HE2 LYS 14 2HE LYS 14 -2.907 12.598 -12.399
126 HE3 LYS 14 3HE LYS 14 -3.158 10.866 -12.610
127 HZ1 LYS 14 1HZ LYS 14 -5.336 11.325 -13.539
128 HZ2 LYS 14 2HZ LYS 14 -4.139 12.136 -14.417
129 HZ3 LYS 14 3HZ LYS 14 -5.109 12.988 -13.324
130 H LEU 15 H LEU 15 -5.291 9.073 -6.624
131 HA LEU 15 HA LEU 15 -7.617 10.026 -5.430
132 HB2 LEU 15 2HB LEU 15 -5.579 7.982 -4.682
133 HB3 LEU 15 3HB LEU 15 -6.816 8.428 -3.508
134 HG LEU 15 HG LEU 15 -7.224 6.364 -4.964
135 HD11 LEU 15 1HD1 LEU 15 -9.436 6.594 -4.572
136 HD12 LEU 15 2HD1 LEU 15 -9.515 8.192 -5.312
137 HD13 LEU 15 3HD1 LEU 15 -8.894 8.011 -3.672
138 HD21 LEU 15 1HD2 LEU 15 -7.889 8.508 -6.979
139 HD22 LEU 15 2HD2 LEU 15 -8.195 6.780 -7.153
140 HD23 LEU 15 3HD2 LEU 15 -6.538 7.380 -7.089
141 H THR 16 H THR 16 -4.260 10.601 -4.642
142 HA THR 16 HA THR 16 -4.756 11.765 -2.078
143 HB THR 16 HB THR 16 -2.335 11.986 -3.877
144 HG1 THR 16 HG1 THR 16 -3.026 10.259 -1.726
145 HG21 THR 16 1HG2 THR 16 -1.533 12.335 -1.250
146 HG22 THR 16 2HG2 THR 16 -3.018 13.280 -1.364
147 HG23 THR 16 3HG2 THR 16 -1.682 13.599 -2.470
148 H GLN 17 H GLN 17 -4.656 12.937 -5.357
149 HA GLN 17 HA GLN 17 -4.234 15.650 -4.960
150 HB2 GLN 17 2HB GLN 17 -4.672 14.159 -7.133
151 HB3 GLN 17 3HB GLN 17 -6.281 14.846 -6.961
152 HG2 GLN 17 2HG GLN 17 -5.607 16.722 -7.907
153 HG3 GLN 17 3HG GLN 17 -4.377 16.934 -6.663
154 HE21 GLN 17 1HE2 GLN 17 -4.831 14.663 -9.355
155 HE22 GLN 17 2HE2 GLN 17 -3.274 14.921 -10.058
156 H TYR 18 H TYR 18 -7.003 13.706 -4.229
157 HA TYR 18 HA TYR 18 -8.685 16.057 -3.796
158 HB2 TYR 18 2HB TYR 18 -9.326 13.107 -3.598
159 HB3 TYR 18 3HB TYR 18 -10.487 14.412 -3.379
160 HD1 TYR 18 HD1 TYR 18 -8.131 12.962 -5.870
161 HD2 TYR 18 HD2 TYR 18 -11.641 15.276 -5.216
162 HE1 TYR 18 HE1 TYR 18 -8.574 12.964 -8.290
163 HE2 TYR 18 HE2 TYR 18 -12.094 15.283 -7.633
164 HH TYR 18 HH TYR 18 -9.838 13.805 -9.930
165 H GLU 19 H GLU 19 -6.889 13.638 -2.063
166 HA GLU 19 HA GLU 19 -8.124 14.066 0.476
167 HB2 GLU 19 2HB GLU 19 -5.439 12.860 -0.215
168 HB3 GLU 19 3HB GLU 19 -6.198 12.798 1.369
169 HG2 GLU 19 2HG GLU 19 -7.494 11.674 -1.094
170 HG3 GLU 19 3HG GLU 19 -6.410 10.736 -0.068
171 H ILE 20 H ILE 20 -5.307 15.378 -1.177
172 HA ILE 20 HA ILE 20 -4.053 16.699 0.906
173 HB ILE 20 HB ILE 20 -4.344 17.672 -1.938
174 HG12 ILE 20 2HG1 ILE 20 -1.850 16.385 -1.007
175 HG13 ILE 20 3HG1 ILE 20 -3.244 15.319 -1.155
176 HG21 ILE 20 1HG2 ILE 20 -1.872 18.429 -0.843
177 HG22 ILE 20 2HG2 ILE 20 -3.223 19.472 -1.283
178 HG23 ILE 20 3HG2 ILE 20 -3.095 18.842 0.359
179 HD11 ILE 20 1HD1 ILE 20 -1.555 16.441 -3.201
180 HD12 ILE 20 2HD1 ILE 20 -2.735 15.134 -3.301
181 HD13 ILE 20 3HD1 ILE 20 -3.255 16.808 -3.495
182 H ALA 21 H ALA 21 -6.949 17.565 -0.857
183 HA ALA 21 HA ALA 21 -7.223 20.241 -0.253
184 HB1 ALA 21 1HB ALA 21 -8.892 18.173 -1.224
185 HB2 ALA 21 2HB ALA 21 -9.776 19.020 0.047
186 HB3 ALA 21 3HB ALA 21 -9.134 19.917 -1.329
187 H TRP 22 H TRP 22 -8.130 17.449 1.743
188 HA TRP 22 HA TRP 22 -9.372 18.744 3.840
189 HB2 TRP 22 2HB TRP 22 -9.346 16.339 3.737
190 HB3 TRP 22 3HB TRP 22 -7.591 16.302 3.874
191 HD1 TRP 22 HD1 TRP 22 -6.553 16.934 6.319
192 HE1 TRP 22 HE1 TRP 22 -7.558 16.664 8.673
193 HE3 TRP 22 HE3 TRP 22 -11.474 16.397 5.042
194 HZ2 TRP 22 HZ2 TRP 22 -10.101 16.273 9.834
195 HZ3 TRP 22 HZ3 TRP 22 -13.129 16.079 6.835
196 HH2 TRP 22 HH2 TRP 22 -12.455 16.018 9.180
197 H PHE 23 H PHE 23 -5.906 18.183 3.346
198 HA PHE 23 HA PHE 23 -5.158 19.473 5.794
199 HB2 PHE 23 2HB PHE 23 -3.607 17.870 5.089
200 HB3 PHE 23 3HB PHE 23 -3.656 18.420 3.417
201 HD1 PHE 23 HD1 PHE 23 -2.153 20.043 2.627
202 HD2 PHE 23 HD2 PHE 23 -2.448 19.277 6.803
203 HE1 PHE 23 HE1 PHE 23 -0.141 21.404 3.015
204 HE2 PHE 23 HE2 PHE 23 -0.437 20.638 7.198
205 HZ PHE 23 HZ PHE 23 0.719 21.704 5.303
206 H LYS 24 H LYS 24 -5.627 20.448 2.485
207 HA LYS 24 HA LYS 24 -4.191 22.860 2.502
208 HB2 LYS 24 2HB LYS 24 -5.039 21.828 0.446
209 HB3 LYS 24 3HB LYS 24 -6.692 22.137 0.962
210 HG2 LYS 24 2HG LYS 24 -6.415 23.913 -0.414
211 HG3 LYS 24 3HG LYS 24 -5.791 24.628 1.075
212 HD2 LYS 24 2HD LYS 24 -3.501 23.808 0.318
213 HD3 LYS 24 3HD LYS 24 -4.247 23.516 -1.255
214 HE2 LYS 24 2HE LYS 24 -4.349 26.174 0.157
215 HE3 LYS 24 3HE LYS 24 -3.079 25.736 -0.984
216 HZ1 LYS 24 1HZ LYS 24 -4.668 26.896 -2.224
217 HZ2 LYS 24 2HZ LYS 24 -5.969 26.082 -1.513
218 HZ3 LYS 24 3HZ LYS 24 -4.953 25.270 -2.594
219 H ASN 25 H ASN 25 -7.320 22.006 3.775
220 HA ASN 25 HA ASN 25 -8.183 24.724 4.155
221 HB2 ASN 25 2HB ASN 25 -9.258 22.068 5.106
222 HB3 ASN 25 3HB ASN 25 -9.997 23.605 5.542
223 HD21 ASN 25 1HD2 ASN 25 -10.145 21.100 3.447
224 HD22 ASN 25 2HD2 ASN 25 -10.954 21.866 2.127
225 H LYS 26 H LYS 26 -6.040 22.682 5.743
226 HA LYS 26 HA LYS 26 -6.476 23.866 8.376
227 HB2 LYS 26 2HB LYS 26 -4.323 21.895 7.626
228 HB3 LYS 26 3HB LYS 26 -4.975 22.233 9.224
229 HG2 LYS 26 2HG LYS 26 -6.527 20.962 6.979
230 HG3 LYS 26 3HG LYS 26 -5.731 20.079 8.285
231 HD2 LYS 26 2HD LYS 26 -7.137 21.163 9.926
232 HD3 LYS 26 3HD LYS 26 -7.868 22.174 8.677
233 HE2 LYS 26 2HE LYS 26 -8.133 19.485 7.847
234 HE3 LYS 26 3HE LYS 26 -8.615 19.557 9.542
235 HZ1 LYS 26 1HZ LYS 26 -10.123 20.284 7.352
236 HZ2 LYS 26 2HZ LYS 26 -9.699 21.742 8.097
237 HZ3 LYS 26 3HZ LYS 26 -10.502 20.544 8.980
238 H HIS 27 H HIS 27 -4.256 23.979 5.684
239 HA HIS 27 HA HIS 27 -2.920 26.262 6.939
240 HB2 HIS 27 2HB HIS 27 -1.422 24.012 5.583
241 HB3 HIS 27 3HB HIS 27 -0.714 25.462 6.288
242 HD1 HIS 27 HD1 HIS 27 -2.445 22.263 7.287
243 HD2 HIS 27 HD2 HIS 27 -0.227 25.334 8.993
244 HE1 HIS 27 HE1 HIS 27 -1.945 21.508 9.633
245 H GLY 28 H GLY 28 -3.283 24.319 3.984
246 HA2 GLY 28 2HA GLY 28 -4.063 25.249 1.934
247 HA3 GLY 28 3HA GLY 28 -3.493 26.824 2.466
248 H TYR 29 H TYR 29 -1.504 23.982 2.782
249 HA TYR 29 HA TYR 29 0.133 24.908 0.515
250 HB2 TYR 29 2HB TYR 29 0.987 24.124 3.291
251 HB3 TYR 29 3HB TYR 29 2.103 24.023 1.933
252 HD1 TYR 29 HD1 TYR 29 -0.226 26.443 3.567
253 HD2 TYR 29 HD2 TYR 29 3.401 25.868 1.420
254 HE1 TYR 29 HE1 TYR 29 0.301 28.831 3.831
255 HE2 TYR 29 HE2 TYR 29 3.939 28.254 1.679
256 HH TYR 29 HH TYR 29 1.715 30.470 3.342
257 H TYR 30 H TYR 30 2.005 23.001 0.365
258 HA TYR 30 HA TYR 30 0.721 20.387 0.436
259 HB2 TYR 30 2HB TYR 30 1.976 21.236 -2.152
260 HB3 TYR 30 3HB TYR 30 0.817 19.947 -1.850
261 HD1 TYR 30 HD1 TYR 30 -1.524 20.349 -1.956
262 HD2 TYR 30 HD2 TYR 30 1.204 23.608 -2.165
263 HE1 TYR 30 HE1 TYR 30 -3.361 21.835 -2.640
264 HE2 TYR 30 HE2 TYR 30 -0.626 25.103 -2.848
265 HH TYR 30 HH TYR 30 -2.997 24.665 -4.079
266 HA PRO 31 HA PRO 31 5.428 19.879 -0.537
267 HB2 PRO 31 2HB PRO 31 6.897 22.147 -0.789
268 HB3 PRO 31 3HB PRO 31 6.089 21.369 -2.155
269 HG2 PRO 31 2HG PRO 31 5.215 23.725 -0.529
270 HG3 PRO 31 3HG PRO 31 5.151 23.493 -2.286
271 HD2 PRO 31 2HD PRO 31 2.985 23.166 -0.694
272 HD3 PRO 31 3HD PRO 31 3.234 22.219 -2.175
273 H TRP 32 H TRP 32 7.631 20.915 0.583
274 HA TRP 32 HA TRP 32 7.015 20.796 3.402
275 HB2 TRP 32 2HB TRP 32 9.286 20.389 3.749
276 HB3 TRP 32 3HB TRP 32 9.003 19.681 2.161
277 HD1 TRP 32 HD1 TRP 32 10.973 22.388 3.910
278 HE1 TRP 32 HE1 TRP 32 12.550 23.520 2.221
279 HE3 TRP 32 HE3 TRP 32 9.155 20.331 -0.403
280 HZ2 TRP 32 HZ2 TRP 32 12.968 23.540 -0.571
281 HZ3 TRP 32 HZ3 TRP 32 10.199 20.960 -2.541
282 HH2 TRP 32 HH2 TRP 32 12.066 22.531 -2.621
283 H GLU 33 H GLU 33 6.840 23.240 1.308
284 HA GLU 33 HA GLU 33 8.225 25.264 2.857
285 HB2 GLU 33 2HB GLU 33 6.359 25.719 0.532
286 HB3 GLU 33 3HB GLU 33 7.609 26.797 1.138
287 HG2 GLU 33 2HG GLU 33 9.336 25.331 0.357
288 HG3 GLU 33 3HG GLU 33 8.150 24.112 -0.104
289 H ILE 34 H ILE 34 6.409 24.044 4.463
290 HA ILE 34 HA ILE 34 4.021 25.729 4.526
291 HB ILE 34 HB ILE 34 4.750 23.361 6.254
292 HG12 ILE 34 2HG1 ILE 34 2.536 23.313 4.257
293 HG13 ILE 34 3HG1 ILE 34 4.186 23.175 3.659
294 HG21 ILE 34 1HG2 ILE 34 2.466 23.426 7.032
295 HG22 ILE 34 2HG2 ILE 34 3.234 24.985 7.332
296 HG23 ILE 34 3HG2 ILE 34 2.115 24.799 5.982
297 HD11 ILE 34 1HD1 ILE 34 3.334 21.423 5.901
298 HD12 ILE 34 2HD1 ILE 34 2.779 21.055 4.268
299 HD13 ILE 34 3HD1 ILE 34 4.506 21.130 4.616
300 HA PRO 35 HA PRO 35 5.809 28.398 7.565
301 HB2 PRO 35 2HB PRO 35 3.516 29.628 8.340
302 HB3 PRO 35 3HB PRO 35 4.325 29.982 6.809
303 HG2 PRO 35 2HG PRO 35 1.967 28.217 7.341
304 HG3 PRO 35 3HG PRO 35 2.222 29.377 6.024
305 HD2 PRO 35 2HD PRO 35 2.570 26.711 5.704
306 HD3 PRO 35 3HD PRO 35 3.531 27.913 4.818
307 H ARG 36 H ARG 36 4.860 29.202 9.883
308 HA ARG 36 HA ARG 36 3.706 27.001 11.380
309 HB2 ARG 36 2HB ARG 36 5.627 27.128 13.053
310 HB3 ARG 36 3HB ARG 36 5.947 26.288 11.542
311 HG2 ARG 36 2HG ARG 36 6.597 29.090 11.329
312 HG3 ARG 36 3HG ARG 36 7.446 28.330 12.677
313 HD2 ARG 36 2HD ARG 36 8.021 26.472 11.000
314 HD3 ARG 36 3HD ARG 36 7.531 27.627 9.761
315 HE ARG 36 HE ARG 36 9.373 28.856 11.490
316 HH11 ARG 36 1HH1 ARG 36 9.224 26.385 9.041
317 HH12 ARG 36 2HH1 ARG 36 10.869 26.597 8.542
318 HH21 ARG 36 1HH2 ARG 36 11.541 29.144 10.841
319 HH22 ARG 36 2HH2 ARG 36 12.187 28.166 9.567
320 H CYS 37 H CYS 37 3.272 27.601 13.647
321 HA CYS 37 HA CYS 37 2.509 30.411 13.792
322 HB2 CYS 37 2HB CYS 37 1.055 29.764 15.602
323 HB3 CYS 37 3HB CYS 37 0.853 28.609 14.291
324 HG CYS 37 HG CYS 37 0.788 26.855 16.248
Start of MODEL 2
1 H MET 1 H MET 1 3.298 1.021 1.723
2 HA MET 1 HA MET 1 4.712 -0.261 -0.023
3 HB2 MET 1 2HB MET 1 1.902 -1.042 -0.811
4 HB3 MET 1 3HB MET 1 3.390 -1.485 -1.638
5 HG2 MET 1 2HG MET 1 3.885 -2.442 0.842
6 HG3 MET 1 3HG MET 1 2.136 -2.637 0.749
7 HE1 MET 1 1HE MET 1 2.064 -3.128 -2.669
8 HE2 MET 1 2HE MET 1 1.723 -4.844 -2.440
9 HE3 MET 1 3HE MET 1 0.981 -3.648 -1.377
10 H LYS 2 H LYS 2 5.271 1.103 -1.610
11 HA LYS 2 HA LYS 2 3.304 2.806 -2.884
12 HB2 LYS 2 2HB LYS 2 5.468 3.878 -1.087
13 HB3 LYS 2 3HB LYS 2 4.792 4.847 -2.390
14 HG2 LYS 2 2HG LYS 2 2.557 4.587 -1.397
15 HG3 LYS 2 3HG LYS 2 3.275 3.675 -0.067
16 HD2 LYS 2 2HD LYS 2 4.656 5.633 0.501
17 HD3 LYS 2 3HD LYS 2 3.883 6.540 -0.802
18 HE2 LYS 2 2HE LYS 2 2.699 7.195 1.092
19 HE3 LYS 2 3HE LYS 2 1.677 5.947 0.382
20 HZ1 LYS 2 1HZ LYS 2 2.733 6.026 2.954
21 HZ2 LYS 2 2HZ LYS 2 3.508 4.753 2.154
22 HZ3 LYS 2 3HZ LYS 2 1.819 4.790 2.247
23 H PHE 3 H PHE 3 4.383 1.002 -4.320
24 HA PHE 3 HA PHE 3 6.973 1.305 -5.310
25 HB2 PHE 3 2HB PHE 3 4.457 0.101 -6.398
26 HB3 PHE 3 3HB PHE 3 5.859 0.259 -7.450
27 HD1 PHE 3 HD1 PHE 3 5.400 -0.711 -3.874
28 HD2 PHE 3 HD2 PHE 3 6.929 -1.748 -7.709
29 HE1 PHE 3 HE1 PHE 3 6.330 -2.787 -2.938
30 HE2 PHE 3 HE2 PHE 3 7.860 -3.826 -6.779
31 HZ PHE 3 HZ PHE 3 7.561 -4.349 -4.391
32 H LYS 4 H LYS 4 7.528 1.986 -7.574
33 HA LYS 4 HA LYS 4 6.192 4.538 -8.191
34 HB2 LYS 4 2HB LYS 4 9.033 3.784 -8.880
35 HB3 LYS 4 3HB LYS 4 8.290 5.373 -9.004
36 HG2 LYS 4 2HG LYS 4 9.229 5.774 -7.026
37 HG3 LYS 4 3HG LYS 4 7.940 4.770 -6.357
38 HD2 LYS 4 2HD LYS 4 9.909 3.869 -5.462
39 HD3 LYS 4 3HD LYS 4 9.503 2.792 -6.800
40 HE2 LYS 4 2HE LYS 4 11.586 3.118 -7.526
41 HE3 LYS 4 3HE LYS 4 11.069 4.741 -7.978
42 HZ1 LYS 4 1HZ LYS 4 11.998 4.196 -5.236
43 HZ2 LYS 4 2HZ LYS 4 11.999 5.655 -6.092
44 HZ3 LYS 4 3HZ LYS 4 13.123 4.450 -6.475
45 H PHE 5 H PHE 5 7.348 1.509 -9.458
46 HA PHE 5 HA PHE 5 6.811 2.264 -12.209
47 HB2 PHE 5 2HB PHE 5 7.725 -0.334 -10.961
48 HB3 PHE 5 3HB PHE 5 7.475 -0.109 -12.690
49 HD1 PHE 5 HD1 PHE 5 9.757 0.209 -9.979
50 HD2 PHE 5 HD2 PHE 5 8.832 1.714 -13.851
51 HE1 PHE 5 HE1 PHE 5 12.057 1.057 -10.194
52 HE2 PHE 5 HE2 PHE 5 11.130 2.564 -14.073
53 HZ PHE 5 HZ PHE 5 12.746 2.235 -12.244
54 H ASN 6 H ASN 6 5.350 0.387 -9.636
55 HA ASN 6 HA ASN 6 3.474 -1.093 -11.016
56 HB2 ASN 6 2HB ASN 6 3.727 -0.029 -8.284
57 HB3 ASN 6 3HB ASN 6 2.070 -0.353 -8.786
58 HD21 ASN 6 1HD2 ASN 6 5.156 -1.971 -9.444
59 HD22 ASN 6 2HD2 ASN 6 4.656 -3.525 -8.879
60 HA PRO 7 HA PRO 7 0.494 1.637 -12.724
61 HB2 PRO 7 2HB PRO 7 -1.840 0.340 -12.237
62 HB3 PRO 7 3HB PRO 7 -0.663 -0.218 -13.432
63 HG2 PRO 7 2HG PRO 7 -1.112 -1.168 -10.629
64 HG3 PRO 7 3HG PRO 7 -0.816 -2.116 -12.098
65 HD2 PRO 7 2HD PRO 7 1.127 -1.595 -10.285
66 HD3 PRO 7 3HD PRO 7 1.460 -1.761 -12.021
67 H THR 8 H THR 8 -0.129 0.567 -9.420
68 HA THR 8 HA THR 8 -2.145 2.374 -8.737
69 HB THR 8 HB THR 8 -1.306 0.403 -7.362
70 HG1 THR 8 HG1 THR 8 -2.188 1.324 -5.588
71 HG21 THR 8 1HG2 THR 8 0.444 0.824 -5.744
72 HG22 THR 8 2HG2 THR 8 0.657 2.465 -6.354
73 HG23 THR 8 3HG2 THR 8 1.078 1.085 -7.368
74 H GLY 9 H GLY 9 1.187 2.903 -9.342
75 HA2 GLY 9 2HA GLY 9 1.837 5.054 -7.736
76 HA3 GLY 9 3HA GLY 9 2.431 4.835 -9.375
77 H THR 10 H THR 10 0.003 5.078 -10.765
78 HA THR 10 HA THR 10 -0.232 7.932 -10.829
79 HB THR 10 HB THR 10 -1.844 5.862 -12.333
80 HG1 THR 10 HG1 THR 10 0.087 5.581 -13.206
81 HG21 THR 10 1HG2 THR 10 -2.255 8.611 -12.091
82 HG22 THR 10 2HG2 THR 10 -2.941 7.541 -13.314
83 HG23 THR 10 3HG2 THR 10 -1.440 8.408 -13.641
84 H ILE 11 H ILE 11 -2.511 5.284 -10.128
85 HA ILE 11 HA ILE 11 -4.746 6.810 -9.527
86 HB ILE 11 HB ILE 11 -3.900 4.201 -8.263
87 HG12 ILE 11 2HG1 ILE 11 -5.947 3.695 -10.038
88 HG13 ILE 11 3HG1 ILE 11 -5.018 4.937 -10.870
89 HG21 ILE 11 1HG2 ILE 11 -6.600 5.540 -8.344
90 HG22 ILE 11 2HG2 ILE 11 -6.286 3.911 -7.751
91 HG23 ILE 11 3HG2 ILE 11 -5.592 5.301 -6.918
92 HD11 ILE 11 1HD1 ILE 11 -3.990 3.053 -11.634
93 HD12 ILE 11 2HD1 ILE 11 -2.996 3.399 -10.218
94 HD13 ILE 11 3HD1 ILE 11 -4.253 2.165 -10.133
95 H VAL 12 H VAL 12 -2.331 5.536 -7.230
96 HA VAL 12 HA VAL 12 -3.327 6.688 -4.917
97 HB VAL 12 HB VAL 12 -0.443 6.173 -5.653
98 HG11 VAL 12 1HG1 VAL 12 -1.692 6.734 -2.966
99 HG12 VAL 12 2HG1 VAL 12 -0.037 6.174 -3.217
100 HG13 VAL 12 3HG1 VAL 12 -0.538 7.752 -3.826
101 HG21 VAL 12 1HG2 VAL 12 -1.462 4.357 -3.731
102 HG22 VAL 12 2HG2 VAL 12 -2.618 4.435 -5.061
103 HG23 VAL 12 3HG2 VAL 12 -0.933 4.024 -5.380
104 H LYS 13 H LYS 13 -1.460 8.122 -7.496
105 HA LYS 13 HA LYS 13 -0.815 10.520 -6.059
106 HB2 LYS 13 2HB LYS 13 0.581 10.848 -7.772
107 HB3 LYS 13 3HB LYS 13 0.020 9.323 -8.444
108 HG2 LYS 13 2HG LYS 13 -1.717 10.508 -9.689
109 HG3 LYS 13 3HG LYS 13 -1.149 12.039 -9.017
110 HD2 LYS 13 2HD LYS 13 0.710 10.226 -10.517
111 HD3 LYS 13 3HD LYS 13 -0.352 11.346 -11.373
112 HE2 LYS 13 2HE LYS 13 0.696 13.003 -9.527
113 HE3 LYS 13 3HE LYS 13 2.035 11.873 -9.718
114 HZ1 LYS 13 1HZ LYS 13 2.589 12.991 -11.531
115 HZ2 LYS 13 2HZ LYS 13 1.195 13.945 -11.453
116 HZ3 LYS 13 3HZ LYS 13 1.160 12.464 -12.269
117 H LYS 14 H LYS 14 -3.365 9.473 -8.225
118 HA LYS 14 HA LYS 14 -4.487 12.095 -8.560
119 HB2 LYS 14 2HB LYS 14 -5.586 9.345 -9.162
120 HB3 LYS 14 3HB LYS 14 -6.402 10.846 -9.578
121 HG2 LYS 14 2HG LYS 14 -3.745 9.887 -10.617
122 HG3 LYS 14 3HG LYS 14 -5.263 9.994 -11.511
123 HD2 LYS 14 2HD LYS 14 -5.247 12.445 -11.157
124 HD3 LYS 14 3HD LYS 14 -3.673 12.293 -10.373
125 HE2 LYS 14 2HE LYS 14 -2.911 12.720 -12.455
126 HE3 LYS 14 3HE LYS 14 -3.171 10.989 -12.668
127 HZ1 LYS 14 1HZ LYS 14 -4.371 11.673 -14.420
128 HZ2 LYS 14 2HZ LYS 14 -4.615 13.229 -13.805
129 HZ3 LYS 14 3HZ LYS 14 -5.584 11.949 -13.273
130 H LEU 15 H LEU 15 -5.403 9.192 -6.720
131 HA LEU 15 HA LEU 15 -7.714 10.191 -5.533
132 HB2 LEU 15 2HB LEU 15 -5.732 8.091 -4.791
133 HB3 LEU 15 3HB LEU 15 -6.966 8.556 -3.622
134 HG LEU 15 HG LEU 15 -7.416 6.516 -5.097
135 HD11 LEU 15 1HD1 LEU 15 -9.215 8.769 -4.454
136 HD12 LEU 15 2HD1 LEU 15 -9.287 7.079 -3.958
137 HD13 LEU 15 3HD1 LEU 15 -9.834 7.550 -5.567
138 HD21 LEU 15 1HD2 LEU 15 -8.359 6.974 -7.290
139 HD22 LEU 15 2HD2 LEU 15 -6.685 7.526 -7.209
140 HD23 LEU 15 3HD2 LEU 15 -8.005 8.691 -7.102
141 H THR 16 H THR 16 -4.350 10.676 -4.719
142 HA THR 16 HA THR 16 -4.837 11.831 -2.147
143 HB THR 16 HB THR 16 -2.395 11.999 -3.924
144 HG1 THR 16 HG1 THR 16 -1.917 10.109 -3.103
145 HG21 THR 16 1HG2 THR 16 -1.734 13.600 -2.501
146 HG22 THR 16 2HG2 THR 16 -1.588 12.313 -1.304
147 HG23 THR 16 3HG2 THR 16 -3.064 13.275 -1.390
148 H GLN 17 H GLN 17 -4.678 13.024 -5.416
149 HA GLN 17 HA GLN 17 -4.186 15.722 -4.995
150 HB2 GLN 17 2HB GLN 17 -4.691 14.230 -7.178
151 HB3 GLN 17 3HB GLN 17 -6.242 15.044 -7.019
152 HG2 GLN 17 2HG GLN 17 -5.423 16.906 -7.881
153 HG3 GLN 17 3HG GLN 17 -4.104 16.929 -6.712
154 HE21 GLN 17 1HE2 GLN 17 -2.640 17.682 -8.237
155 HE22 GLN 17 2HE2 GLN 17 -2.016 16.673 -9.492
156 H TYR 18 H TYR 18 -7.012 13.848 -4.302
157 HA TYR 18 HA TYR 18 -8.633 16.241 -3.864
158 HB2 TYR 18 2HB TYR 18 -9.357 13.308 -3.692
159 HB3 TYR 18 3HB TYR 18 -10.483 14.644 -3.476
160 HD1 TYR 18 HD1 TYR 18 -11.595 15.552 -5.318
161 HD2 TYR 18 HD2 TYR 18 -8.148 13.141 -5.954
162 HE1 TYR 18 HE1 TYR 18 -12.025 15.588 -7.739
163 HE2 TYR 18 HE2 TYR 18 -8.567 13.170 -8.377
164 HH TYR 18 HH TYR 18 -9.750 14.184 -10.029
165 H GLU 19 H GLU 19 -6.918 13.762 -2.135
166 HA GLU 19 HA GLU 19 -8.162 14.203 0.397
167 HB2 GLU 19 2HB GLU 19 -5.505 12.930 -0.282
168 HB3 GLU 19 3HB GLU 19 -6.278 12.876 1.296
169 HG2 GLU 19 2HG GLU 19 -7.586 11.808 -1.186
170 HG3 GLU 19 3HG GLU 19 -6.533 10.833 -0.162
171 H ILE 20 H ILE 20 -5.297 15.452 -1.223
172 HA ILE 20 HA ILE 20 -4.025 16.721 0.880
173 HB ILE 20 HB ILE 20 -4.267 17.725 -1.958
174 HG12 ILE 20 2HG1 ILE 20 -1.816 16.364 -1.020
175 HG13 ILE 20 3HG1 ILE 20 -3.237 15.337 -1.186
176 HG21 ILE 20 1HG2 ILE 20 -3.005 18.841 0.359
177 HG22 ILE 20 2HG2 ILE 20 -1.785 18.405 -0.837
178 HG23 ILE 20 3HG2 ILE 20 -3.104 19.489 -1.278
179 HD11 ILE 20 1HD1 ILE 20 -1.508 16.442 -3.212
180 HD12 ILE 20 2HD1 ILE 20 -2.704 15.151 -3.326
181 HD13 ILE 20 3HD1 ILE 20 -3.201 16.833 -3.515
182 H ALA 21 H ALA 21 -6.883 17.679 -0.898
183 HA ALA 21 HA ALA 21 -7.089 20.356 -0.274
184 HB1 ALA 21 1HB ALA 21 -9.532 18.653 -0.116
185 HB2 ALA 21 2HB ALA 21 -9.300 20.221 -0.889
186 HB3 ALA 21 3HB ALA 21 -8.651 18.763 -1.640
187 H TRP 22 H TRP 22 -8.087 17.574 1.692
188 HA TRP 22 HA TRP 22 -9.310 18.886 3.790
189 HB2 TRP 22 2HB TRP 22 -9.345 16.480 3.662
190 HB3 TRP 22 3HB TRP 22 -7.593 16.398 3.823
191 HD1 TRP 22 HD1 TRP 22 -6.572 16.961 6.286
192 HE1 TRP 22 HE1 TRP 22 -7.618 16.707 8.624
193 HE3 TRP 22 HE3 TRP 22 -11.492 16.615 4.940
194 HZ2 TRP 22 HZ2 TRP 22 -10.189 16.400 9.748
195 HZ3 TRP 22 HZ3 TRP 22 -13.182 16.342 6.707
196 HH2 TRP 22 HH2 TRP 22 -12.542 16.236 9.061
197 H PHE 23 H PHE 23 -5.857 18.235 3.318
198 HA PHE 23 HA PHE 23 -5.093 19.484 5.782
199 HB2 PHE 23 2HB PHE 23 -3.581 17.845 5.075
200 HB3 PHE 23 3HB PHE 23 -3.601 18.410 3.408
201 HD1 PHE 23 HD1 PHE 23 -2.050 20.000 2.643
202 HD2 PHE 23 HD2 PHE 23 -2.397 19.204 6.810
203 HE1 PHE 23 HE1 PHE 23 -0.005 21.303 3.059
204 HE2 PHE 23 HE2 PHE 23 -0.353 20.507 7.232
205 HZ PHE 23 HZ PHE 23 0.846 21.559 5.356
206 H LYS 24 H LYS 24 -5.510 20.498 2.478
207 HA LYS 24 HA LYS 24 -4.009 22.870 2.525
208 HB2 LYS 24 2HB LYS 24 -4.870 21.879 0.455
209 HB3 LYS 24 3HB LYS 24 -6.517 22.228 0.961
210 HG2 LYS 24 2HG LYS 24 -6.181 24.007 -0.398
211 HG3 LYS 24 3HG LYS 24 -5.550 24.693 1.101
212 HD2 LYS 24 2HD LYS 24 -3.277 23.817 0.356
213 HD3 LYS 24 3HD LYS 24 -4.018 23.559 -1.225
214 HE2 LYS 24 2HE LYS 24 -4.059 26.206 0.208
215 HE3 LYS 24 3HE LYS 24 -2.792 25.743 -0.927
216 HZ1 LYS 24 1HZ LYS 24 -4.626 27.083 -1.904
217 HZ2 LYS 24 2HZ LYS 24 -5.676 25.788 -1.618
218 HZ3 LYS 24 3HZ LYS 24 -4.370 25.599 -2.677
219 H ASN 25 H ASN 25 -7.169 22.091 3.769
220 HA ASN 25 HA ASN 25 -7.961 24.829 4.166
221 HB2 ASN 25 2HB ASN 25 -9.115 22.193 5.076
222 HB3 ASN 25 3HB ASN 25 -9.812 23.743 5.536
223 HD21 ASN 25 1HD2 ASN 25 -9.814 21.297 3.276
224 HD22 ASN 25 2HD2 ASN 25 -10.678 22.101 2.014
225 H LYS 26 H LYS 26 -5.887 22.716 5.752
226 HA LYS 26 HA LYS 26 -6.311 23.889 8.391
227 HB2 LYS 26 2HB LYS 26 -4.206 21.866 7.639
228 HB3 LYS 26 3HB LYS 26 -4.860 22.209 9.236
229 HG2 LYS 26 2HG LYS 26 -6.430 20.999 6.970
230 HG3 LYS 26 3HG LYS 26 -5.667 20.084 8.272
231 HD2 LYS 26 2HD LYS 26 -7.478 22.312 9.031
232 HD3 LYS 26 3HD LYS 26 -8.214 20.849 8.373
233 HE2 LYS 26 2HE LYS 26 -8.147 20.134 10.502
234 HE3 LYS 26 3HE LYS 26 -6.454 19.794 10.146
235 HZ1 LYS 26 1HZ LYS 26 -6.784 21.060 12.217
236 HZ2 LYS 26 2HZ LYS 26 -7.442 22.335 11.321
237 HZ3 LYS 26 3HZ LYS 26 -5.826 21.887 11.094
238 H HIS 27 H HIS 27 -4.068 23.965 5.716
239 HA HIS 27 HA HIS 27 -2.681 26.200 7.002
240 HB2 HIS 27 2HB HIS 27 -1.232 23.922 5.638
241 HB3 HIS 27 3HB HIS 27 -0.492 25.347 6.361
242 HD1 HIS 27 HD1 HIS 27 -2.316 22.187 7.318
243 HD2 HIS 27 HD2 HIS 27 -0.031 25.183 9.070
244 HE1 HIS 27 HE1 HIS 27 -1.856 21.398 9.661
245 H GLY 28 H GLY 28 -3.073 24.293 4.027
246 HA2 GLY 28 2HA GLY 28 -3.811 25.260 1.980
247 HA3 GLY 28 3HA GLY 28 -3.203 26.814 2.530
248 H TYR 29 H TYR 29 -1.295 23.917 2.837
249 HA TYR 29 HA TYR 29 0.385 24.816 0.590
250 HB2 TYR 29 2HB TYR 29 1.196 23.987 3.366
251 HB3 TYR 29 3HB TYR 29 2.318 23.866 2.016
252 HD1 TYR 29 HD1 TYR 29 0.042 26.336 3.650
253 HD2 TYR 29 HD2 TYR 29 3.672 25.680 1.530
254 HE1 TYR 29 HE1 TYR 29 0.632 28.707 3.938
255 HE2 TYR 29 HE2 TYR 29 4.273 28.048 1.813
256 HH TYR 29 HH TYR 29 2.052 30.335 3.352
257 H TYR 30 H TYR 30 2.205 22.860 0.439
258 HA TYR 30 HA TYR 30 0.850 20.282 0.478
259 HB2 TYR 30 2HB TYR 30 2.148 21.117 -2.093
260 HB3 TYR 30 3HB TYR 30 0.952 19.857 -1.811
261 HD1 TYR 30 HD1 TYR 30 -1.375 20.325 -1.932
262 HD2 TYR 30 HD2 TYR 30 1.441 23.509 -2.093
263 HE1 TYR 30 HE1 TYR 30 -3.166 21.865 -2.617
264 HE2 TYR 30 HE2 TYR 30 -0.342 25.059 -2.777
265 HH TYR 30 HH TYR 30 -3.074 24.272 -4.047
266 HA PRO 31 HA PRO 31 5.549 19.653 -0.463
267 HB2 PRO 31 2HB PRO 31 7.082 21.883 -0.685
268 HB3 PRO 31 3HB PRO 31 6.264 21.138 -2.064
269 HG2 PRO 31 2HG PRO 31 5.441 23.504 -0.424
270 HG3 PRO 31 3HG PRO 31 5.385 23.288 -2.183
271 HD2 PRO 31 2HD PRO 31 3.198 23.007 -0.612
272 HD3 PRO 31 3HD PRO 31 3.433 22.065 -2.098
273 H TRP 32 H TRP 32 7.771 20.619 0.683
274 HA TRP 32 HA TRP 32 7.129 20.494 3.496
275 HB2 TRP 32 2HB TRP 32 9.386 20.022 3.857
276 HB3 TRP 32 3HB TRP 32 9.096 19.335 2.261
277 HD1 TRP 32 HD1 TRP 32 11.125 21.972 4.047
278 HE1 TRP 32 HE1 TRP 32 12.746 23.075 2.380
279 HE3 TRP 32 HE3 TRP 32 9.285 20.002 -0.296
280 HZ2 TRP 32 HZ2 TRP 32 13.187 23.106 -0.408
281 HZ3 TRP 32 HZ3 TRP 32 10.363 20.619 -2.421
282 HH2 TRP 32 HH2 TRP 32 12.273 22.139 -2.473
283 H GLU 33 H GLU 33 7.037 22.959 1.421
284 HA GLU 33 HA GLU 33 8.465 24.932 2.998
285 HB2 GLU 33 2HB GLU 33 6.631 25.456 0.662
286 HB3 GLU 33 3HB GLU 33 7.904 26.495 1.287
287 HG2 GLU 33 2HG GLU 33 9.598 24.988 0.506
288 HG3 GLU 33 3HG GLU 33 8.382 23.806 0.026
289 H ILE 34 H ILE 34 6.602 23.747 4.578
290 HA ILE 34 HA ILE 34 4.261 25.497 4.637
291 HB ILE 34 HB ILE 34 4.912 23.097 6.352
292 HG12 ILE 34 2HG1 ILE 34 2.714 23.125 4.336
293 HG13 ILE 34 3HG1 ILE 34 4.365 22.946 3.750
294 HG21 ILE 34 1HG2 ILE 34 3.430 24.754 7.429
295 HG22 ILE 34 2HG2 ILE 34 2.319 24.608 6.068
296 HG23 ILE 34 3HG2 ILE 34 2.624 23.219 7.112
297 HD11 ILE 34 1HD1 ILE 34 3.372 21.199 5.953
298 HD12 ILE 34 2HD1 ILE 34 2.950 20.847 4.277
299 HD13 ILE 34 3HD1 ILE 34 4.643 20.901 4.767
300 HA PRO 35 HA PRO 35 6.097 28.092 7.712
301 HB2 PRO 35 2HB PRO 35 3.833 29.378 8.479
302 HB3 PRO 35 3HB PRO 35 4.664 29.722 6.958
303 HG2 PRO 35 2HG PRO 35 2.254 28.018 7.456
304 HG3 PRO 35 3HG PRO 35 2.551 29.182 6.152
305 HD2 PRO 35 2HD PRO 35 2.829 26.510 5.812
306 HD3 PRO 35 3HD PRO 35 3.829 27.692 4.943
307 H ARG 36 H ARG 36 5.134 28.907 10.027
308 HA ARG 36 HA ARG 36 4.712 26.420 11.529
309 HB2 ARG 36 2HB ARG 36 5.481 27.790 13.492
310 HB3 ARG 36 3HB ARG 36 6.686 27.561 12.232
311 HG2 ARG 36 2HG ARG 36 5.020 29.992 12.041
312 HG3 ARG 36 3HG ARG 36 6.186 29.923 13.365
313 HD2 ARG 36 2HD ARG 36 7.899 30.271 11.984
314 HD3 ARG 36 3HD ARG 36 7.345 29.017 10.875
315 HE ARG 36 HE ARG 36 5.774 31.361 10.610
316 HH11 ARG 36 1HH1 ARG 36 8.892 30.029 9.819
317 HH12 ARG 36 2HH1 ARG 36 9.105 31.022 8.415
318 HH21 ARG 36 1HH2 ARG 36 6.043 32.674 8.764
319 HH22 ARG 36 2HH2 ARG 36 7.485 32.527 7.817
320 H CYS 37 H CYS 37 3.298 26.480 13.409
321 HA CYS 37 HA CYS 37 0.802 27.751 12.785
322 HB2 CYS 37 2HB CYS 37 1.752 25.849 14.896
323 HB3 CYS 37 3HB CYS 37 0.212 26.675 15.106
324 HG CYS 37 HG CYS 37 0.321 23.901 13.909
Start of MODEL 3
1 H MET 1 H MET 1 3.164 -1.834 -1.445
2 HA MET 1 HA MET 1 4.056 -0.486 0.154
3 HB2 MET 1 2HB MET 1 6.688 -1.585 -0.848
4 HB3 MET 1 3HB MET 1 6.426 -0.776 0.691
5 HG2 MET 1 2HG MET 1 4.667 -3.062 0.250
6 HG3 MET 1 3HG MET 1 6.380 -3.471 0.281
7 HE1 MET 1 1HE MET 1 7.960 -2.988 2.037
8 HE2 MET 1 2HE MET 1 7.608 -1.361 2.620
9 HE3 MET 1 3HE MET 1 7.587 -2.724 3.740
10 H LYS 2 H LYS 2 3.274 1.120 -1.607
11 HA LYS 2 HA LYS 2 3.544 3.098 -2.702
12 HB2 LYS 2 2HB LYS 2 6.093 3.399 -1.120
13 HB3 LYS 2 3HB LYS 2 5.042 4.672 -1.726
14 HG2 LYS 2 2HG LYS 2 4.074 4.709 0.264
15 HG3 LYS 2 3HG LYS 2 3.413 3.111 -0.092
16 HD2 LYS 2 2HD LYS 2 4.530 2.929 1.992
17 HD3 LYS 2 3HD LYS 2 5.572 2.152 0.798
18 HE2 LYS 2 2HE LYS 2 7.152 3.422 1.807
19 HE3 LYS 2 3HE LYS 2 6.556 4.636 0.675
20 HZ1 LYS 2 1HZ LYS 2 5.023 5.378 2.470
21 HZ2 LYS 2 2HZ LYS 2 6.660 5.625 2.813
22 HZ3 LYS 2 3HZ LYS 2 5.830 4.340 3.535
23 H PHE 3 H PHE 3 4.112 1.402 -4.480
24 HA PHE 3 HA PHE 3 6.844 1.427 -5.384
25 HB2 PHE 3 2HB PHE 3 4.278 0.262 -6.394
26 HB3 PHE 3 3HB PHE 3 5.653 0.389 -7.486
27 HD1 PHE 3 HD1 PHE 3 5.280 -0.548 -3.892
28 HD2 PHE 3 HD2 PHE 3 6.675 -1.641 -7.761
29 HE1 PHE 3 HE1 PHE 3 6.198 -2.635 -2.967
30 HE2 PHE 3 HE2 PHE 3 7.595 -3.730 -6.844
31 HZ PHE 3 HZ PHE 3 7.357 -4.230 -4.444
32 H LYS 4 H LYS 4 7.333 2.068 -7.684
33 HA LYS 4 HA LYS 4 6.019 4.635 -8.290
34 HB2 LYS 4 2HB LYS 4 8.836 3.888 -9.062
35 HB3 LYS 4 3HB LYS 4 8.096 5.483 -9.084
36 HG2 LYS 4 2HG LYS 4 9.114 5.789 -7.128
37 HG3 LYS 4 3HG LYS 4 7.845 4.762 -6.457
38 HD2 LYS 4 2HD LYS 4 9.714 3.684 -5.675
39 HD3 LYS 4 3HD LYS 4 9.466 2.829 -7.199
40 HE2 LYS 4 2HE LYS 4 11.753 3.332 -7.168
41 HE3 LYS 4 3HE LYS 4 11.045 4.555 -8.222
42 HZ1 LYS 4 1HZ LYS 4 12.386 4.867 -5.699
43 HZ2 LYS 4 2HZ LYS 4 10.922 5.710 -5.780
44 HZ3 LYS 4 3HZ LYS 4 12.127 5.996 -6.932
45 H PHE 5 H PHE 5 7.113 1.579 -9.532
46 HA PHE 5 HA PHE 5 6.548 2.316 -12.287
47 HB2 PHE 5 2HB PHE 5 7.374 -0.352 -11.122
48 HB3 PHE 5 3HB PHE 5 7.305 0.052 -12.834
49 HD1 PHE 5 HD1 PHE 5 9.312 0.013 -9.899
50 HD2 PHE 5 HD2 PHE 5 8.815 1.940 -13.662
51 HE1 PHE 5 HE1 PHE 5 11.642 0.799 -9.801
52 HE2 PHE 5 HE2 PHE 5 11.144 2.727 -13.570
53 HZ PHE 5 HZ PHE 5 12.561 2.156 -11.639
54 H ASN 6 H ASN 6 5.126 0.479 -9.669
55 HA ASN 6 HA ASN 6 3.231 -1.023 -11.005
56 HB2 ASN 6 2HB ASN 6 3.525 0.071 -8.288
57 HB3 ASN 6 3HB ASN 6 1.863 -0.267 -8.762
58 HD21 ASN 6 1HD2 ASN 6 4.911 -1.897 -9.531
59 HD22 ASN 6 2HD2 ASN 6 4.442 -3.440 -8.910
60 HA PRO 7 HA PRO 7 0.222 1.688 -12.691
61 HB2 PRO 7 2HB PRO 7 -2.103 0.394 -12.151
62 HB3 PRO 7 3HB PRO 7 -0.945 -0.174 -13.360
63 HG2 PRO 7 2HG PRO 7 -1.347 -1.097 -10.541
64 HG3 PRO 7 3HG PRO 7 -1.075 -2.060 -12.005
65 HD2 PRO 7 2HD PRO 7 0.897 -1.520 -10.231
66 HD3 PRO 7 3HD PRO 7 1.201 -1.702 -11.970
67 H THR 8 H THR 8 -0.347 0.650 -9.366
68 HA THR 8 HA THR 8 -2.352 2.463 -8.668
69 HB THR 8 HB THR 8 -1.490 0.505 -7.288
70 HG1 THR 8 HG1 THR 8 -2.648 1.422 -5.777
71 HG21 THR 8 1HG2 THR 8 0.489 2.577 -6.332
72 HG22 THR 8 2HG2 THR 8 0.893 1.187 -7.339
73 HG23 THR 8 3HG2 THR 8 0.285 0.944 -5.702
74 H GLY 9 H GLY 9 0.970 2.987 -9.332
75 HA2 GLY 9 2HA GLY 9 1.645 5.153 -7.758
76 HA3 GLY 9 3HA GLY 9 2.212 4.918 -9.405
77 H THR 10 H THR 10 -0.238 5.147 -10.756
78 HA THR 10 HA THR 10 -0.475 8.001 -10.844
79 HB THR 10 HB THR 10 -2.112 5.917 -12.301
80 HG1 THR 10 HG1 THR 10 0.370 7.157 -12.840
81 HG21 THR 10 1HG2 THR 10 -2.519 8.667 -12.080
82 HG22 THR 10 2HG2 THR 10 -3.219 7.588 -13.286
83 HG23 THR 10 3HG2 THR 10 -1.723 8.452 -13.638
84 H ILE 11 H ILE 11 -2.741 5.360 -10.081
85 HA ILE 11 HA ILE 11 -4.967 6.891 -9.459
86 HB ILE 11 HB ILE 11 -4.099 4.294 -8.183
87 HG12 ILE 11 2HG1 ILE 11 -6.175 3.771 -9.920
88 HG13 ILE 11 3HG1 ILE 11 -5.260 5.005 -10.778
89 HG21 ILE 11 1HG2 ILE 11 -6.477 4.008 -7.629
90 HG22 ILE 11 2HG2 ILE 11 -5.768 5.405 -6.821
91 HG23 ILE 11 3HG2 ILE 11 -6.800 5.633 -8.232
92 HD11 ILE 11 1HD1 ILE 11 -3.227 3.473 -10.145
93 HD12 ILE 11 2HD1 ILE 11 -4.484 2.240 -10.033
94 HD13 ILE 11 3HD1 ILE 11 -4.242 3.119 -11.543
95 H VAL 12 H VAL 12 -2.514 5.639 -7.190
96 HA VAL 12 HA VAL 12 -3.472 6.813 -4.871
97 HB VAL 12 HB VAL 12 -0.601 6.293 -5.650
98 HG11 VAL 12 1HG1 VAL 12 -0.667 7.888 -3.836
99 HG12 VAL 12 2HG1 VAL 12 -1.805 6.874 -2.946
100 HG13 VAL 12 3HG1 VAL 12 -0.154 6.317 -3.222
101 HG21 VAL 12 1HG2 VAL 12 -0.866 4.154 -4.975
102 HG22 VAL 12 2HG2 VAL 12 -2.009 4.583 -3.702
103 HG23 VAL 12 3HG2 VAL 12 -2.556 4.461 -5.374
104 H LYS 13 H LYS 13 -1.647 8.223 -7.493
105 HA LYS 13 HA LYS 13 -0.981 10.635 -6.090
106 HB2 LYS 13 2HB LYS 13 0.387 10.948 -7.828
107 HB3 LYS 13 3HB LYS 13 -0.183 9.415 -8.476
108 HG2 LYS 13 2HG LYS 13 -1.941 10.587 -9.704
109 HG3 LYS 13 3HG LYS 13 -1.363 12.125 -9.057
110 HD2 LYS 13 2HD LYS 13 0.468 10.295 -10.573
111 HD3 LYS 13 3HD LYS 13 -0.603 11.416 -11.417
112 HE2 LYS 13 2HE LYS 13 0.473 13.286 -10.559
113 HE3 LYS 13 3HE LYS 13 1.170 12.388 -9.211
114 HZ1 LYS 13 1HZ LYS 13 1.983 12.242 -12.061
115 HZ2 LYS 13 2HZ LYS 13 2.569 11.208 -10.858
116 HZ3 LYS 13 3HZ LYS 13 2.886 12.867 -10.773
117 H LYS 14 H LYS 14 -3.565 9.566 -8.205
118 HA LYS 14 HA LYS 14 -4.693 12.184 -8.548
119 HB2 LYS 14 2HB LYS 14 -5.800 9.427 -9.102
120 HB3 LYS 14 3HB LYS 14 -6.625 10.923 -9.520
121 HG2 LYS 14 2HG LYS 14 -3.984 9.956 -10.594
122 HG3 LYS 14 3HG LYS 14 -5.518 10.051 -11.463
123 HD2 LYS 14 2HD LYS 14 -5.500 12.506 -11.135
124 HD3 LYS 14 3HD LYS 14 -3.912 12.365 -10.378
125 HE2 LYS 14 2HE LYS 14 -3.153 11.237 -12.519
126 HE3 LYS 14 3HE LYS 14 -4.676 11.772 -13.227
127 HZ1 LYS 14 1HZ LYS 14 -3.422 13.549 -13.766
128 HZ2 LYS 14 2HZ LYS 14 -2.322 13.319 -12.502
129 HZ3 LYS 14 3HZ LYS 14 -3.816 14.053 -12.200
130 H LEU 15 H LEU 15 -5.578 9.300 -6.662
131 HA LEU 15 HA LEU 15 -7.870 10.308 -5.449
132 HB2 LEU 15 2HB LEU 15 -5.869 8.225 -4.712
133 HB3 LEU 15 3HB LEU 15 -7.084 8.701 -3.528
134 HG LEU 15 HG LEU 15 -7.548 6.640 -4.976
135 HD11 LEU 15 1HD1 LEU 15 -9.178 8.447 -3.733
136 HD12 LEU 15 2HD1 LEU 15 -9.695 6.907 -4.418
137 HD13 LEU 15 3HD1 LEU 15 -9.855 8.389 -5.361
138 HD21 LEU 15 1HD2 LEU 15 -8.202 8.795 -6.984
139 HD22 LEU 15 2HD2 LEU 15 -8.539 7.072 -7.152
140 HD23 LEU 15 3HD2 LEU 15 -6.871 7.646 -7.111
141 H THR 16 H THR 16 -4.494 10.814 -4.695
142 HA THR 16 HA THR 16 -4.939 11.997 -2.131
143 HB THR 16 HB THR 16 -2.533 12.170 -3.956
144 HG1 THR 16 HG1 THR 16 -2.071 10.266 -3.170
145 HG21 THR 16 1HG2 THR 16 -3.161 13.445 -1.409
146 HG22 THR 16 2HG2 THR 16 -1.865 13.787 -2.555
147 HG23 THR 16 3HG2 THR 16 -1.671 12.504 -1.361
148 H GLN 17 H GLN 17 -4.852 13.157 -5.415
149 HA GLN 17 HA GLN 17 -4.372 15.862 -5.031
150 HB2 GLN 17 2HB GLN 17 -5.009 14.287 -7.175
151 HB3 GLN 17 3HB GLN 17 -6.462 15.264 -7.009
152 HG2 GLN 17 2HG GLN 17 -5.376 16.741 -8.272
153 HG3 GLN 17 3HG GLN 17 -4.515 17.147 -6.788
154 HE21 GLN 17 1HE2 GLN 17 -4.245 16.033 -9.952
155 HE22 GLN 17 2HE2 GLN 17 -2.580 15.575 -9.918
156 H TYR 18 H TYR 18 -7.171 13.976 -4.265
157 HA TYR 18 HA TYR 18 -8.800 16.361 -3.820
158 HB2 TYR 18 2HB TYR 18 -9.499 13.426 -3.608
159 HB3 TYR 18 3HB TYR 18 -10.631 14.754 -3.378
160 HD1 TYR 18 HD1 TYR 18 -8.334 13.253 -5.894
161 HD2 TYR 18 HD2 TYR 18 -11.788 15.639 -5.203
162 HE1 TYR 18 HE1 TYR 18 -8.804 13.260 -8.308
163 HE2 TYR 18 HE2 TYR 18 -12.269 15.651 -7.615
164 HH TYR 18 HH TYR 18 -11.228 15.302 -9.701
165 H GLU 19 H GLU 19 -7.034 13.912 -2.100
166 HA GLU 19 HA GLU 19 -8.233 14.369 0.451
167 HB2 GLU 19 2HB GLU 19 -5.579 13.112 -0.266
168 HB3 GLU 19 3HB GLU 19 -6.322 13.066 1.326
169 HG2 GLU 19 2HG GLU 19 -7.669 11.965 -1.119
170 HG3 GLU 19 3HG GLU 19 -6.586 11.007 -0.110
171 H ILE 20 H ILE 20 -5.412 15.627 -1.237
172 HA ILE 20 HA ILE 20 -4.110 16.927 0.829
173 HB ILE 20 HB ILE 20 -4.418 17.903 -2.013
174 HG12 ILE 20 2HG1 ILE 20 -1.936 16.573 -1.113
175 HG13 ILE 20 3HG1 ILE 20 -3.350 15.531 -1.239
176 HG21 ILE 20 1HG2 ILE 20 -1.920 18.616 -0.949
177 HG22 ILE 20 2HG2 ILE 20 -3.258 19.682 -1.374
178 HG23 ILE 20 3HG2 ILE 20 -3.120 19.052 0.267
179 HD11 ILE 20 1HD1 ILE 20 -2.838 15.324 -3.385
180 HD12 ILE 20 2HD1 ILE 20 -3.389 16.988 -3.584
181 HD13 ILE 20 3HD1 ILE 20 -1.679 16.651 -3.313
182 H ALA 21 H ALA 21 -7.012 17.844 -0.899
183 HA ALA 21 HA ALA 21 -7.230 20.524 -0.295
184 HB1 ALA 21 1HB ALA 21 -9.808 19.432 0.031
185 HB2 ALA 21 2HB ALA 21 -9.120 20.190 -1.405
186 HB3 ALA 21 3HB ALA 21 -8.980 18.447 -1.175
187 H TRP 22 H TRP 22 -8.162 17.751 1.716
188 HA TRP 22 HA TRP 22 -9.354 19.071 3.826
189 HB2 TRP 22 2HB TRP 22 -9.349 16.653 3.693
190 HB3 TRP 22 3HB TRP 22 -7.598 16.609 3.878
191 HD1 TRP 22 HD1 TRP 22 -6.623 17.225 6.348
192 HE1 TRP 22 HE1 TRP 22 -7.697 16.974 8.674
193 HE3 TRP 22 HE3 TRP 22 -11.515 16.751 4.939
194 HZ2 TRP 22 HZ2 TRP 22 -10.275 16.622 9.767
195 HZ3 TRP 22 HZ3 TRP 22 -13.223 16.461 6.686
196 HH2 TRP 22 HH2 TRP 22 -12.614 16.397 9.049
197 H PHE 23 H PHE 23 -5.905 18.447 3.290
198 HA PHE 23 HA PHE 23 -5.103 19.725 5.727
199 HB2 PHE 23 2HB PHE 23 -3.591 18.094 5.004
200 HB3 PHE 23 3HB PHE 23 -3.650 18.643 3.333
201 HD1 PHE 23 HD1 PHE 23 -2.129 20.239 2.521
202 HD2 PHE 23 HD2 PHE 23 -2.384 19.480 6.702
203 HE1 PHE 23 HE1 PHE 23 -0.088 21.564 2.883
204 HE2 PHE 23 HE2 PHE 23 -0.344 20.804 7.070
205 HZ PHE 23 HZ PHE 23 0.806 21.849 5.160
206 H LYS 24 H LYS 24 -5.597 20.705 2.423
207 HA LYS 24 HA LYS 24 -4.117 23.091 2.418
208 HB2 LYS 24 2HB LYS 24 -5.010 22.073 0.375
209 HB3 LYS 24 3HB LYS 24 -6.650 22.412 0.911
210 HG2 LYS 24 2HG LYS 24 -6.358 24.182 -0.470
211 HG3 LYS 24 3HG LYS 24 -5.703 24.887 1.010
212 HD2 LYS 24 2HD LYS 24 -3.438 24.024 0.226
213 HD3 LYS 24 3HD LYS 24 -4.209 23.745 -1.337
214 HE2 LYS 24 2HE LYS 24 -4.244 26.405 0.073
215 HE3 LYS 24 3HE LYS 24 -2.997 25.943 -1.084
216 HZ1 LYS 24 1HZ LYS 24 -4.696 25.671 -2.768
217 HZ2 LYS 24 2HZ LYS 24 -4.763 27.233 -2.123
218 HZ3 LYS 24 3HZ LYS 24 -5.908 26.077 -1.660
219 H ASN 25 H ASN 25 -7.244 22.295 3.733
220 HA ASN 25 HA ASN 25 -8.053 25.029 4.121
221 HB2 ASN 25 2HB ASN 25 -9.164 22.396 5.097
222 HB3 ASN 25 3HB ASN 25 -9.873 23.951 5.525
223 HD21 ASN 25 1HD2 ASN 25 -10.060 21.429 3.442
224 HD22 ASN 25 2HD2 ASN 25 -10.876 22.196 2.126
225 H LYS 26 H LYS 26 -5.928 22.950 5.683
226 HA LYS 26 HA LYS 26 -6.309 24.143 8.320
227 HB2 LYS 26 2HB LYS 26 -4.201 22.133 7.544
228 HB3 LYS 26 3HB LYS 26 -4.826 22.484 9.151
229 HG2 LYS 26 2HG LYS 26 -6.429 21.240 6.927
230 HG3 LYS 26 3HG LYS 26 -5.632 20.343 8.223
231 HD2 LYS 26 2HD LYS 26 -7.015 21.362 9.879
232 HD3 LYS 26 3HD LYS 26 -7.671 22.509 8.709
233 HE2 LYS 26 2HE LYS 26 -8.492 20.413 7.452
234 HE3 LYS 26 3HE LYS 26 -8.197 19.569 8.971
235 HZ1 LYS 26 1HZ LYS 26 -9.981 20.495 9.921
236 HZ2 LYS 26 2HZ LYS 26 -10.490 20.812 8.340
237 HZ3 LYS 26 3HZ LYS 26 -9.707 22.016 9.233
238 H HIS 27 H HIS 27 -4.121 24.215 5.600
239 HA HIS 27 HA HIS 27 -2.729 26.474 6.837
240 HB2 HIS 27 2HB HIS 27 -1.288 24.197 5.463
241 HB3 HIS 27 3HB HIS 27 -0.546 25.635 6.159
242 HD1 HIS 27 HD1 HIS 27 -2.321 22.468 7.181
243 HD2 HIS 27 HD2 HIS 27 -0.028 25.500 8.858
244 HE1 HIS 27 HE1 HIS 27 -1.805 21.705 9.521
245 H GLY 28 H GLY 28 -3.164 24.536 3.888
246 HA2 GLY 28 2HA GLY 28 -3.953 25.478 1.848
247 HA3 GLY 28 3HA GLY 28 -3.348 27.043 2.371
248 H TYR 29 H TYR 29 -1.407 24.166 2.664
249 HA TYR 29 HA TYR 29 0.218 25.060 0.376
250 HB2 TYR 29 2HB TYR 29 1.093 24.265 3.142
251 HB3 TYR 29 3HB TYR 29 2.189 24.142 1.770
252 HD1 TYR 29 HD1 TYR 29 -0.076 26.606 3.429
253 HD2 TYR 29 HD2 TYR 29 3.514 25.963 1.238
254 HE1 TYR 29 HE1 TYR 29 0.498 28.984 3.683
255 HE2 TYR 29 HE2 TYR 29 4.098 28.339 1.487
256 HH TYR 29 HH TYR 29 3.159 30.259 3.548
257 H TYR 30 H TYR 30 2.053 23.120 0.205
258 HA TYR 30 HA TYR 30 0.724 20.529 0.295
259 HB2 TYR 30 2HB TYR 30 1.961 21.353 -2.309
260 HB3 TYR 30 3HB TYR 30 0.783 20.085 -1.991
261 HD1 TYR 30 HD1 TYR 30 -1.551 20.529 -2.068
262 HD2 TYR 30 HD2 TYR 30 1.231 23.738 -2.317
263 HE1 TYR 30 HE1 TYR 30 -3.370 22.047 -2.730
264 HE2 TYR 30 HE2 TYR 30 -0.580 25.265 -2.979
265 HH TYR 30 HH TYR 30 -3.123 24.670 -4.223
266 HA PRO 31 HA PRO 31 5.408 19.936 -0.736
267 HB2 PRO 31 2HB PRO 31 6.915 22.178 -1.010
268 HB3 PRO 31 3HB PRO 31 6.076 21.413 -2.365
269 HG2 PRO 31 2HG PRO 31 5.264 23.785 -0.730
270 HG3 PRO 31 3HG PRO 31 5.174 23.553 -2.486
271 HD2 PRO 31 2HD PRO 31 3.023 23.266 -0.867
272 HD3 PRO 31 3HD PRO 31 3.236 22.313 -2.349
273 H TRP 32 H TRP 32 7.644 20.934 0.355
274 HA TRP 32 HA TRP 32 7.061 20.829 3.181
275 HB2 TRP 32 2HB TRP 32 9.329 20.382 3.501
276 HB3 TRP 32 3HB TRP 32 9.012 19.676 1.919
277 HD1 TRP 32 HD1 TRP 32 11.053 22.351 3.635
278 HE1 TRP 32 HE1 TRP 32 12.629 23.451 1.922
279 HE3 TRP 32 HE3 TRP 32 9.142 20.318 -0.649
280 HZ2 TRP 32 HZ2 TRP 32 13.010 23.457 -0.875
281 HZ3 TRP 32 HZ3 TRP 32 10.170 20.922 -2.802
282 HH2 TRP 32 HH2 TRP 32 12.063 22.460 -2.910
283 H GLU 33 H GLU 33 6.904 23.273 1.086
284 HA GLU 33 HA GLU 33 8.344 25.274 2.616
285 HB2 GLU 33 2HB GLU 33 6.458 25.760 0.313
286 HB3 GLU 33 3HB GLU 33 7.734 26.815 0.902
287 HG2 GLU 33 2HG GLU 33 9.425 25.318 0.101
288 HG3 GLU 33 3HG GLU 33 8.211 24.119 -0.343
289 H ILE 34 H ILE 34 6.526 24.088 4.245
290 HA ILE 34 HA ILE 34 4.170 25.816 4.335
291 HB ILE 34 HB ILE 34 4.878 23.438 6.058
292 HG12 ILE 34 2HG1 ILE 34 2.639 23.427 4.088
293 HG13 ILE 34 3HG1 ILE 34 4.278 23.258 3.470
294 HG21 ILE 34 1HG2 ILE 34 2.605 23.545 6.864
295 HG22 ILE 34 2HG2 ILE 34 3.404 25.089 7.152
296 HG23 ILE 34 3HG2 ILE 34 2.265 24.922 5.816
297 HD11 ILE 34 1HD1 ILE 34 3.313 21.520 5.698
298 HD12 ILE 34 2HD1 ILE 34 2.922 21.145 4.020
299 HD13 ILE 34 3HD1 ILE 34 4.606 21.233 4.534
300 HA PRO 35 HA PRO 35 6.043 28.457 7.348
301 HB2 PRO 35 2HB PRO 35 3.783 29.729 8.149
302 HB3 PRO 35 3HB PRO 35 4.580 30.066 6.608
303 HG2 PRO 35 2HG PRO 35 2.197 28.344 7.172
304 HG3 PRO 35 3HG PRO 35 2.456 29.499 5.851
305 HD2 PRO 35 2HD PRO 35 2.752 26.826 5.530
306 HD3 PRO 35 3HD PRO 35 3.723 28.010 4.630
307 H ARG 36 H ARG 36 5.132 29.282 9.676
308 HA ARG 36 HA ARG 36 4.769 26.807 11.209
309 HB2 ARG 36 2HB ARG 36 5.583 29.493 12.309
310 HB3 ARG 36 3HB ARG 36 5.777 27.912 13.055
311 HG2 ARG 36 2HG ARG 36 7.233 28.917 10.618
312 HG3 ARG 36 3HG ARG 36 7.900 28.750 12.244
313 HD2 ARG 36 2HD ARG 36 6.987 26.567 10.383
314 HD3 ARG 36 3HD ARG 36 8.616 26.860 10.991
315 HE ARG 36 HE ARG 36 7.186 26.434 13.245
316 HH11 ARG 36 1HH1 ARG 36 7.538 24.664 10.268
317 HH12 ARG 36 2HH1 ARG 36 7.283 23.117 11.006
318 HH21 ARG 36 1HH2 ARG 36 6.850 24.403 14.228
319 HH22 ARG 36 2HH2 ARG 36 6.891 22.970 13.259
320 H CYS 37 H CYS 37 3.421 26.911 13.162
321 HA CYS 37 HA CYS 37 0.957 28.373 12.600
322 HB2 CYS 37 2HB CYS 37 1.221 25.811 13.211
323 HB3 CYS 37 3HB CYS 37 1.198 26.431 14.857
324 HG CYS 37 HG CYS 37 -1.357 25.473 14.115
Start of MODEL 4
1 H MET 1 H MET 1 1.244 -0.720 0.696
2 HA MET 1 HA MET 1 3.483 -0.378 0.311
3 HB2 MET 1 2HB MET 1 4.174 -1.119 -1.924
4 HB3 MET 1 3HB MET 1 2.921 -2.160 -1.263
5 HG2 MET 1 2HG MET 1 1.250 -0.975 -2.619
6 HG3 MET 1 3HG MET 1 2.536 0.010 -3.311
7 HE1 MET 1 1HE MET 1 1.546 -4.182 -3.295
8 HE2 MET 1 2HE MET 1 0.449 -2.802 -3.272
9 HE3 MET 1 3HE MET 1 0.782 -3.639 -4.789
10 H LYS 2 H LYS 2 5.031 0.640 -1.588
11 HA LYS 2 HA LYS 2 4.013 3.247 -2.396
12 HB2 LYS 2 2HB LYS 2 6.146 2.810 -0.341
13 HB3 LYS 2 3HB LYS 2 6.247 4.207 -1.405
14 HG2 LYS 2 2HG LYS 2 4.212 5.091 -0.594
15 HG3 LYS 2 3HG LYS 2 3.807 3.587 0.235
16 HD2 LYS 2 2HD LYS 2 6.353 4.900 0.991
17 HD3 LYS 2 3HD LYS 2 4.860 5.696 1.494
18 HE2 LYS 2 2HE LYS 2 4.734 4.278 3.198
19 HE3 LYS 2 3HE LYS 2 4.515 2.964 2.043
20 HZ1 LYS 2 1HZ LYS 2 6.493 2.170 2.586
21 HZ2 LYS 2 2HZ LYS 2 6.658 3.374 3.762
22 HZ3 LYS 2 3HZ LYS 2 7.247 3.634 2.198
23 H PHE 3 H PHE 3 4.385 1.636 -4.307
24 HA PHE 3 HA PHE 3 7.151 1.548 -5.196
25 HB2 PHE 3 2HB PHE 3 4.575 0.375 -6.188
26 HB3 PHE 3 3HB PHE 3 5.971 0.458 -7.257
27 HD1 PHE 3 HD1 PHE 3 5.416 -0.444 -3.675
28 HD2 PHE 3 HD2 PHE 3 7.078 -1.532 -7.440
29 HE1 PHE 3 HE1 PHE 3 6.292 -2.519 -2.685
30 HE2 PHE 3 HE2 PHE 3 7.955 -3.610 -6.456
31 HZ PHE 3 HZ PHE 3 7.562 -4.106 -4.076
32 H LYS 4 H LYS 4 7.646 2.204 -7.466
33 HA LYS 4 HA LYS 4 6.267 4.726 -8.113
34 HB2 LYS 4 2HB LYS 4 9.122 4.025 -8.799
35 HB3 LYS 4 3HB LYS 4 8.343 5.596 -8.940
36 HG2 LYS 4 2HG LYS 4 9.246 6.058 -6.964
37 HG3 LYS 4 3HG LYS 4 8.028 4.980 -6.277
38 HD2 LYS 4 2HD LYS 4 10.000 4.132 -5.402
39 HD3 LYS 4 3HD LYS 4 9.742 3.109 -6.818
40 HE2 LYS 4 2HE LYS 4 11.181 5.023 -7.973
41 HE3 LYS 4 3HE LYS 4 11.782 5.211 -6.326
42 HZ1 LYS 4 1HZ LYS 4 13.074 3.459 -6.631
43 HZ2 LYS 4 2HZ LYS 4 12.510 3.289 -8.217
44 HZ3 LYS 4 3HZ LYS 4 11.732 2.480 -6.952
45 H PHE 5 H PHE 5 7.417 1.678 -9.301
46 HA PHE 5 HA PHE 5 6.883 2.374 -12.074
47 HB2 PHE 5 2HB PHE 5 7.892 -0.147 -10.753
48 HB3 PHE 5 3HB PHE 5 7.563 -0.031 -12.479
49 HD1 PHE 5 HD1 PHE 5 9.946 0.509 -9.893
50 HD2 PHE 5 HD2 PHE 5 8.813 1.760 -13.800
51 HE1 PHE 5 HE1 PHE 5 12.207 1.409 -10.256
52 HE2 PHE 5 HE2 PHE 5 11.072 2.661 -14.170
53 HZ PHE 5 HZ PHE 5 12.773 2.486 -12.398
54 H ASN 6 H ASN 6 5.475 0.513 -9.459
55 HA ASN 6 HA ASN 6 3.620 -1.026 -10.803
56 HB2 ASN 6 2HB ASN 6 3.870 0.083 -8.090
57 HB3 ASN 6 3HB ASN 6 2.217 -0.278 -8.576
58 HD21 ASN 6 1HD2 ASN 6 5.262 -1.889 -9.375
59 HD22 ASN 6 2HD2 ASN 6 4.819 -3.428 -8.727
60 HA PRO 7 HA PRO 7 0.575 1.615 -12.534
61 HB2 PRO 7 2HB PRO 7 -1.729 0.279 -12.009
62 HB3 PRO 7 3HB PRO 7 -0.549 -0.273 -13.203
63 HG2 PRO 7 2HG PRO 7 -0.960 -1.188 -10.383
64 HG3 PRO 7 3HG PRO 7 -0.655 -2.153 -11.839
65 HD2 PRO 7 2HD PRO 7 1.288 -1.564 -10.048
66 HD3 PRO 7 3HD PRO 7 1.613 -1.751 -11.783
67 H THR 8 H THR 8 -0.005 0.586 -9.209
68 HA THR 8 HA THR 8 -2.053 2.363 -8.541
69 HB THR 8 HB THR 8 -1.164 0.431 -7.140
70 HG1 THR 8 HG1 THR 8 -2.579 1.462 -5.935
71 HG21 THR 8 1HG2 THR 8 0.587 0.915 -5.541
72 HG22 THR 8 2HG2 THR 8 0.763 2.549 -6.180
73 HG23 THR 8 3HG2 THR 8 1.205 1.161 -7.173
74 H GLY 9 H GLY 9 1.264 2.950 -9.177
75 HA2 GLY 9 2HA GLY 9 1.881 5.139 -7.611
76 HA3 GLY 9 3HA GLY 9 2.468 4.905 -9.251
77 H THR 10 H THR 10 0.026 5.076 -10.626
78 HA THR 10 HA THR 10 -0.267 7.924 -10.734
79 HB THR 10 HB THR 10 -1.848 5.798 -12.193
80 HG1 THR 10 HG1 THR 10 -0.305 6.605 -13.919
81 HG21 THR 10 1HG2 THR 10 -1.503 8.331 -13.545
82 HG22 THR 10 2HG2 THR 10 -2.312 8.541 -11.992
83 HG23 THR 10 3HG2 THR 10 -2.983 7.439 -13.194
84 H ILE 11 H ILE 11 -2.487 5.243 -9.975
85 HA ILE 11 HA ILE 11 -4.748 6.732 -9.383
86 HB ILE 11 HB ILE 11 -3.841 4.161 -8.082
87 HG12 ILE 11 2HG1 ILE 11 -5.890 3.586 -9.835
88 HG13 ILE 11 3HG1 ILE 11 -4.989 4.832 -10.693
89 HG21 ILE 11 1HG2 ILE 11 -6.217 3.830 -7.548
90 HG22 ILE 11 2HG2 ILE 11 -5.545 5.248 -6.743
91 HG23 ILE 11 3HG2 ILE 11 -6.568 5.444 -8.166
92 HD11 ILE 11 1HD1 ILE 11 -2.934 3.346 -10.033
93 HD12 ILE 11 2HD1 ILE 11 -4.165 2.088 -9.916
94 HD13 ILE 11 3HD1 ILE 11 -3.931 2.956 -11.434
95 H VAL 12 H VAL 12 -2.293 5.544 -7.083
96 HA VAL 12 HA VAL 12 -3.296 6.713 -4.781
97 HB VAL 12 HB VAL 12 -0.408 6.244 -5.530
98 HG11 VAL 12 1HG1 VAL 12 0.015 6.293 -3.097
99 HG12 VAL 12 2HG1 VAL 12 -0.521 7.851 -3.728
100 HG13 VAL 12 3HG1 VAL 12 -1.647 6.822 -2.842
101 HG21 VAL 12 1HG2 VAL 12 -2.251 4.351 -5.334
102 HG22 VAL 12 2HG2 VAL 12 -0.610 4.115 -4.733
103 HG23 VAL 12 3HG2 VAL 12 -1.906 4.538 -3.615
104 H LYS 13 H LYS 13 -1.476 8.142 -7.396
105 HA LYS 13 HA LYS 13 -0.870 10.576 -6.003
106 HB2 LYS 13 2HB LYS 13 0.507 10.905 -7.731
107 HB3 LYS 13 3HB LYS 13 -0.028 9.357 -8.374
108 HG2 LYS 13 2HG LYS 13 -1.797 10.488 -9.625
109 HG3 LYS 13 3HG LYS 13 -1.256 12.040 -8.982
110 HD2 LYS 13 2HD LYS 13 0.521 10.195 -10.568
111 HD3 LYS 13 3HD LYS 13 -0.444 11.479 -11.301
112 HE2 LYS 13 2HE LYS 13 0.700 13.112 -9.833
113 HE3 LYS 13 3HE LYS 13 1.716 11.808 -9.221
114 HZ1 LYS 13 1HZ LYS 13 2.393 13.357 -11.269
115 HZ2 LYS 13 2HZ LYS 13 1.630 12.103 -12.109
116 HZ3 LYS 13 3HZ LYS 13 2.940 11.765 -11.093
117 H LYS 14 H LYS 14 -3.414 9.443 -8.133
118 HA LYS 14 HA LYS 14 -4.591 12.036 -8.501
119 HB2 LYS 14 2HB LYS 14 -5.638 9.255 -9.052
120 HB3 LYS 14 3HB LYS 14 -6.486 10.733 -9.487
121 HG2 LYS 14 2HG LYS 14 -3.817 9.811 -10.528
122 HG3 LYS 14 3HG LYS 14 -5.343 9.873 -11.413
123 HD2 LYS 14 2HD LYS 14 -5.374 12.330 -11.099
124 HD3 LYS 14 3HD LYS 14 -3.793 12.222 -10.322
125 HE2 LYS 14 2HE LYS 14 -3.104 10.994 -12.510
126 HE3 LYS 14 3HE LYS 14 -4.538 11.767 -13.183
127 HZ1 LYS 14 1HZ LYS 14 -1.994 12.884 -12.699
128 HZ2 LYS 14 2HZ LYS 14 -3.148 13.722 -11.790
129 HZ3 LYS 14 3HZ LYS 14 -3.330 13.584 -13.466
130 H LEU 15 H LEU 15 -5.436 9.144 -6.610
131 HA LEU 15 HA LEU 15 -7.759 10.114 -5.423
132 HB2 LEU 15 2HB LEU 15 -5.729 8.067 -4.662
133 HB3 LEU 15 3HB LEU 15 -6.964 8.525 -3.491
134 HG LEU 15 HG LEU 15 -7.384 6.454 -4.930
135 HD11 LEU 15 1HD1 LEU 15 -9.052 7.873 -3.576
136 HD12 LEU 15 2HD1 LEU 15 -9.681 6.760 -4.790
137 HD13 LEU 15 3HD1 LEU 15 -9.574 8.484 -5.146
138 HD21 LEU 15 1HD2 LEU 15 -8.023 8.584 -6.968
139 HD22 LEU 15 2HD2 LEU 15 -8.349 6.857 -7.126
140 HD23 LEU 15 3HD2 LEU 15 -6.684 7.440 -7.063
141 H THR 16 H THR 16 -4.399 10.680 -4.639
142 HA THR 16 HA THR 16 -4.893 11.865 -2.083
143 HB THR 16 HB THR 16 -2.467 12.054 -3.878
144 HG1 THR 16 HG1 THR 16 -1.718 10.344 -2.725
145 HG21 THR 16 1HG2 THR 16 -1.671 12.421 -1.250
146 HG22 THR 16 2HG2 THR 16 -3.147 13.379 -1.382
147 HG23 THR 16 3HG2 THR 16 -1.802 13.673 -2.485
148 H GLN 17 H GLN 17 -4.779 13.010 -5.371
149 HA GLN 17 HA GLN 17 -4.339 15.723 -4.994
150 HB2 GLN 17 2HB GLN 17 -4.628 14.358 -7.176
151 HB3 GLN 17 3HB GLN 17 -6.340 14.713 -6.994
152 HG2 GLN 17 2HG GLN 17 -6.035 16.990 -7.313
153 HG3 GLN 17 3HG GLN 17 -4.315 16.910 -6.934
154 HE21 GLN 17 1HE2 GLN 17 -2.895 15.978 -8.489
155 HE22 GLN 17 2HE2 GLN 17 -3.312 15.977 -10.166
156 H TYR 18 H TYR 18 -7.121 13.804 -4.252
157 HA TYR 18 HA TYR 18 -8.788 16.170 -3.840
158 HB2 TYR 18 2HB TYR 18 -9.451 13.227 -3.619
159 HB3 TYR 18 3HB TYR 18 -10.603 14.542 -3.415
160 HD1 TYR 18 HD1 TYR 18 -8.254 13.049 -5.886
161 HD2 TYR 18 HD2 TYR 18 -11.743 15.404 -5.263
162 HE1 TYR 18 HE1 TYR 18 -8.691 13.032 -8.307
163 HE2 TYR 18 HE2 TYR 18 -12.190 15.393 -7.681
164 HH TYR 18 HH TYR 18 -11.382 14.862 -9.700
165 H GLU 19 H GLU 19 -7.012 13.753 -2.085
166 HA GLU 19 HA GLU 19 -8.248 14.209 0.448
167 HB2 GLU 19 2HB GLU 19 -5.572 12.978 -0.231
168 HB3 GLU 19 3HB GLU 19 -6.331 12.935 1.354
169 HG2 GLU 19 2HG GLU 19 -7.632 11.798 -1.101
170 HG3 GLU 19 3HG GLU 19 -6.559 10.862 -0.062
171 H ILE 20 H ILE 20 -5.420 15.490 -1.211
172 HA ILE 20 HA ILE 20 -4.160 16.817 0.864
173 HB ILE 20 HB ILE 20 -4.442 17.771 -1.988
174 HG12 ILE 20 2HG1 ILE 20 -1.957 16.475 -1.047
175 HG13 ILE 20 3HG1 ILE 20 -3.357 15.417 -1.187
176 HG21 ILE 20 1HG2 ILE 20 -1.965 18.519 -0.896
177 HG22 ILE 20 2HG2 ILE 20 -3.309 19.568 -1.346
178 HG23 ILE 20 3HG2 ILE 20 -3.187 18.950 0.301
179 HD11 ILE 20 1HD1 ILE 20 -2.851 15.211 -3.330
180 HD12 ILE 20 2HD1 ILE 20 -3.354 16.889 -3.538
181 HD13 ILE 20 3HD1 ILE 20 -1.658 16.507 -3.239
182 H ALA 21 H ALA 21 -7.049 17.690 -0.908
183 HA ALA 21 HA ALA 21 -7.305 20.371 -0.323
184 HB1 ALA 21 1HB ALA 21 -9.874 19.245 -0.023
185 HB2 ALA 21 2HB ALA 21 -9.180 20.013 -1.452
186 HB3 ALA 21 3HB ALA 21 -9.017 18.272 -1.219
187 H TRP 22 H TRP 22 -8.231 17.600 1.692
188 HA TRP 22 HA TRP 22 -9.466 18.919 3.779
189 HB2 TRP 22 2HB TRP 22 -9.441 16.505 3.672
190 HB3 TRP 22 3HB TRP 22 -7.689 16.473 3.856
191 HD1 TRP 22 HD1 TRP 22 -6.709 17.049 6.317
192 HE1 TRP 22 HE1 TRP 22 -7.779 16.827 8.648
193 HE3 TRP 22 HE3 TRP 22 -11.614 16.680 4.926
194 HZ2 TRP 22 HZ2 TRP 22 -10.361 16.534 9.750
195 HZ3 TRP 22 HZ3 TRP 22 -13.322 16.431 6.680
196 HH2 TRP 22 HH2 TRP 22 -12.706 16.359 9.041
197 H PHE 23 H PHE 23 -6.004 18.332 3.291
198 HA PHE 23 HA PHE 23 -5.248 19.634 5.730
199 HB2 PHE 23 2HB PHE 23 -3.708 18.015 5.037
200 HB3 PHE 23 3HB PHE 23 -3.752 18.553 3.361
201 HD1 PHE 23 HD1 PHE 23 -2.238 20.161 2.560
202 HD2 PHE 23 HD2 PHE 23 -2.540 19.425 6.742
203 HE1 PHE 23 HE1 PHE 23 -0.216 21.511 2.940
204 HE2 PHE 23 HE2 PHE 23 -0.519 20.775 7.128
205 HZ PHE 23 HZ PHE 23 0.645 21.821 5.227
206 H LYS 24 H LYS 24 -5.709 20.588 2.414
207 HA LYS 24 HA LYS 24 -4.257 22.990 2.413
208 HB2 LYS 24 2HB LYS 24 -5.112 21.950 0.365
209 HB3 LYS 24 3HB LYS 24 -6.763 22.273 0.879
210 HG2 LYS 24 2HG LYS 24 -6.472 24.037 -0.510
211 HG3 LYS 24 3HG LYS 24 -5.846 24.759 0.974
212 HD2 LYS 24 2HD LYS 24 -3.560 23.918 0.225
213 HD3 LYS 24 3HD LYS 24 -4.307 23.620 -1.347
214 HE2 LYS 24 2HE LYS 24 -4.391 26.288 0.047
215 HE3 LYS 24 3HE LYS 24 -3.124 25.834 -1.091
216 HZ1 LYS 24 1HZ LYS 24 -5.319 25.253 -2.495
217 HZ2 LYS 24 2HZ LYS 24 -4.517 26.739 -2.577
218 HZ3 LYS 24 3HZ LYS 24 -5.880 26.568 -1.590
219 H ASN 25 H ASN 25 -7.391 22.167 3.693
220 HA ASN 25 HA ASN 25 -8.235 24.894 4.054
221 HB2 ASN 25 2HB ASN 25 -9.328 22.248 5.007
222 HB3 ASN 25 3HB ASN 25 -10.051 23.789 5.460
223 HD21 ASN 25 1HD2 ASN 25 -10.111 21.308 3.273
224 HD22 ASN 25 2HD2 ASN 25 -10.971 22.087 1.993
225 H LYS 26 H LYS 26 -6.107 22.848 5.656
226 HA LYS 26 HA LYS 26 -6.535 24.052 8.281
227 HB2 LYS 26 2HB LYS 26 -4.395 22.062 7.544
228 HB3 LYS 26 3HB LYS 26 -5.044 22.415 9.140
229 HG2 LYS 26 2HG LYS 26 -6.605 21.140 6.903
230 HG3 LYS 26 3HG LYS 26 -5.814 20.260 8.214
231 HD2 LYS 26 2HD LYS 26 -7.429 22.357 9.307
232 HD3 LYS 26 3HD LYS 26 -8.397 21.391 8.191
233 HE2 LYS 26 2HE LYS 26 -7.876 19.380 9.377
234 HE3 LYS 26 3HE LYS 26 -6.691 20.216 10.380
235 HZ1 LYS 26 1HZ LYS 26 -8.532 21.560 11.282
236 HZ2 LYS 26 2HZ LYS 26 -8.697 19.911 11.622
237 HZ3 LYS 26 3HZ LYS 26 -9.632 20.621 10.403
238 H HIS 27 H HIS 27 -4.314 24.134 5.588
239 HA HIS 27 HA HIS 27 -2.964 26.416 6.829
240 HB2 HIS 27 2HB HIS 27 -1.479 24.147 5.489
241 HB3 HIS 27 3HB HIS 27 -0.763 25.598 6.185
242 HD1 HIS 27 HD1 HIS 27 -2.515 22.417 7.204
243 HD2 HIS 27 HD2 HIS 27 -0.279 25.484 8.892
244 HE1 HIS 27 HE1 HIS 27 -2.021 21.673 9.555
245 H GLY 28 H GLY 28 -3.339 24.455 3.887
246 HA2 GLY 28 2HA GLY 28 -4.111 25.375 1.831
247 HA3 GLY 28 3HA GLY 28 -3.531 26.950 2.352
248 H TYR 29 H TYR 29 -1.562 24.097 2.689
249 HA TYR 29 HA TYR 29 0.083 24.995 0.416
250 HB2 TYR 29 2HB TYR 29 0.931 24.226 3.197
251 HB3 TYR 29 3HB TYR 29 2.046 24.107 1.841
252 HD1 TYR 29 HD1 TYR 29 -0.269 26.556 3.454
253 HD2 TYR 29 HD2 TYR 29 3.358 25.940 1.317
254 HE1 TYR 29 HE1 TYR 29 0.274 28.942 3.701
255 HE2 TYR 29 HE2 TYR 29 3.913 28.324 1.560
256 HH TYR 29 HH TYR 29 1.669 30.641 2.544
257 H TYR 30 H TYR 30 1.941 23.074 0.280
258 HA TYR 30 HA TYR 30 0.639 20.470 0.369
259 HB2 TYR 30 2HB TYR 30 1.901 21.292 -2.224
260 HB3 TYR 30 3HB TYR 30 0.733 20.012 -1.913
261 HD1 TYR 30 HD1 TYR 30 -1.604 20.430 -2.023
262 HD2 TYR 30 HD2 TYR 30 1.145 23.669 -2.256
263 HE1 TYR 30 HE1 TYR 30 -3.431 21.923 -2.717
264 HE2 TYR 30 HE2 TYR 30 -0.675 25.171 -2.950
265 HH TYR 30 HH TYR 30 -2.903 24.986 -4.028
266 HA PRO 31 HA PRO 31 5.343 19.922 -0.598
267 HB2 PRO 31 2HB PRO 31 6.828 22.179 -0.866
268 HB3 PRO 31 3HB PRO 31 6.015 21.397 -2.227
269 HG2 PRO 31 2HG PRO 31 5.156 23.770 -0.617
270 HG3 PRO 31 3HG PRO 31 5.092 23.526 -2.372
271 HD2 PRO 31 2HD PRO 31 2.923 23.225 -0.780
272 HD3 PRO 31 3HD PRO 31 3.166 22.266 -2.254
273 H TRP 32 H TRP 32 7.553 20.951 0.516
274 HA TRP 32 HA TRP 32 6.935 20.857 3.335
275 HB2 TRP 32 2HB TRP 32 9.203 20.436 3.686
276 HB3 TRP 32 3HB TRP 32 8.915 19.719 2.104
277 HD1 TRP 32 HD1 TRP 32 10.903 22.425 3.833
278 HE1 TRP 32 HE1 TRP 32 12.489 23.534 2.135
279 HE3 TRP 32 HE3 TRP 32 9.072 20.349 -0.466
280 HZ2 TRP 32 HZ2 TRP 32 12.908 23.529 -0.656
281 HZ3 TRP 32 HZ3 TRP 32 10.122 20.954 -2.607
282 HH2 TRP 32 HH2 TRP 32 11.999 22.512 -2.699
283 H GLU 33 H GLU 33 6.778 23.287 1.224
284 HA GLU 33 HA GLU 33 8.176 25.312 2.759
285 HB2 GLU 33 2HB GLU 33 6.315 25.763 0.430
286 HB3 GLU 33 3HB GLU 33 7.571 26.837 1.029
287 HG2 GLU 33 2HG GLU 33 9.289 25.353 0.258
288 HG3 GLU 33 3HG GLU 33 8.094 24.139 -0.194
289 H ILE 34 H ILE 34 6.349 24.115 4.371
290 HA ILE 34 HA ILE 34 3.973 25.817 4.421
291 HB ILE 34 HB ILE 34 4.685 23.457 6.167
292 HG12 ILE 34 2HG1 ILE 34 2.474 23.410 4.168
293 HG13 ILE 34 3HG1 ILE 34 4.123 23.255 3.573
294 HG21 ILE 34 1HG2 ILE 34 3.178 25.101 7.231
295 HG22 ILE 34 2HG2 ILE 34 2.060 24.911 5.881
296 HG23 ILE 34 3HG2 ILE 34 2.401 23.544 6.942
297 HD11 ILE 34 1HD1 ILE 34 2.841 21.119 4.069
298 HD12 ILE 34 2HD1 ILE 34 4.469 21.257 4.732
299 HD13 ILE 34 3HD1 ILE 34 3.069 21.516 5.772
300 HA PRO 35 HA PRO 35 5.779 28.496 7.442
301 HB2 PRO 35 2HB PRO 35 3.494 29.748 8.207
302 HB3 PRO 35 3HB PRO 35 4.308 30.085 6.674
303 HG2 PRO 35 2HG PRO 35 1.936 28.340 7.217
304 HG3 PRO 35 3HG PRO 35 2.200 29.490 5.892
305 HD2 PRO 35 2HD PRO 35 2.530 26.819 5.591
306 HD3 PRO 35 3HD PRO 35 3.499 28.007 4.697
307 H ARG 36 H ARG 36 4.820 29.326 9.752
308 HA ARG 36 HA ARG 36 3.602 27.195 11.274
309 HB2 ARG 36 2HB ARG 36 5.507 27.035 12.875
310 HB3 ARG 36 3HB ARG 36 5.868 26.387 11.280
311 HG2 ARG 36 2HG ARG 36 6.626 29.085 11.207
312 HG3 ARG 36 3HG ARG 36 7.203 28.449 12.749
313 HD2 ARG 36 2HD ARG 36 7.634 26.906 10.223
314 HD3 ARG 36 3HD ARG 36 8.698 28.252 10.631
315 HE ARG 36 HE ARG 36 8.512 26.579 12.861
316 HH11 ARG 36 1HH1 ARG 36 9.766 26.526 9.614
317 HH12 ARG 36 2HH1 ARG 36 11.031 25.401 9.981
318 HH21 ARG 36 1HH2 ARG 36 10.175 25.099 13.358
319 HH22 ARG 36 2HH2 ARG 36 11.263 24.589 12.111
320 H CYS 37 H CYS 37 3.231 27.818 13.536
321 HA CYS 37 HA CYS 37 3.228 30.742 13.894
322 HB2 CYS 37 2HB CYS 37 1.038 28.746 14.236
323 HB3 CYS 37 3HB CYS 37 1.097 30.107 15.351
324 HG CYS 37 HG CYS 37 0.050 30.001 12.214
Start of MODEL 5
1 H MET 1 H MET 1 5.124 -2.104 -1.309
2 HA MET 1 HA MET 1 4.405 -0.326 -0.089
3 HB2 MET 1 2HB MET 1 7.363 -0.213 0.451
4 HB3 MET 1 3HB MET 1 6.257 0.961 1.152
5 HG2 MET 1 2HG MET 1 6.409 -0.600 2.824
6 HG3 MET 1 3HG MET 1 4.963 -1.131 1.970
7 HE1 MET 1 1HE MET 1 5.822 -3.502 3.649
8 HE2 MET 1 2HE MET 1 4.643 -3.424 2.340
9 HE3 MET 1 3HE MET 1 5.852 -4.709 2.362
10 H LYS 2 H LYS 2 3.502 1.020 -1.562
11 HA LYS 2 HA LYS 2 3.247 2.764 -3.006
12 HB2 LYS 2 2HB LYS 2 5.365 3.715 -1.110
13 HB3 LYS 2 3HB LYS 2 4.893 4.726 -2.470
14 HG2 LYS 2 2HG LYS 2 2.477 4.010 -1.390
15 HG3 LYS 2 3HG LYS 2 3.508 4.188 0.032
16 HD2 LYS 2 2HD LYS 2 4.219 6.386 -1.372
17 HD3 LYS 2 3HD LYS 2 2.535 6.215 -1.873
18 HE2 LYS 2 2HE LYS 2 1.913 6.076 0.541
19 HE3 LYS 2 3HE LYS 2 3.589 6.449 0.942
20 HZ1 LYS 2 1HZ LYS 2 2.197 8.250 -0.893
21 HZ2 LYS 2 2HZ LYS 2 3.369 8.594 0.277
22 HZ3 LYS 2 3HZ LYS 2 1.767 8.316 0.742
23 H PHE 3 H PHE 3 4.272 0.962 -4.474
24 HA PHE 3 HA PHE 3 6.878 1.226 -5.452
25 HB2 PHE 3 2HB PHE 3 4.349 0.051 -6.538
26 HB3 PHE 3 3HB PHE 3 5.747 0.204 -7.596
27 HD1 PHE 3 HD1 PHE 3 6.842 -1.786 -7.861
28 HD2 PHE 3 HD2 PHE 3 5.254 -0.807 -4.035
29 HE1 PHE 3 HE1 PHE 3 7.762 -3.878 -6.948
30 HE2 PHE 3 HE2 PHE 3 6.172 -2.897 -3.116
31 HZ PHE 3 HZ PHE 3 7.428 -4.435 -4.572
32 H LYS 4 H LYS 4 7.412 1.886 -7.743
33 HA LYS 4 HA LYS 4 6.117 4.466 -8.335
34 HB2 LYS 4 2HB LYS 4 8.930 3.697 -9.100
35 HB3 LYS 4 3HB LYS 4 8.207 5.300 -9.113
36 HG2 LYS 4 2HG LYS 4 9.186 5.592 -7.139
37 HG3 LYS 4 3HG LYS 4 7.938 4.526 -6.490
38 HD2 LYS 4 2HD LYS 4 9.407 2.596 -6.859
39 HD3 LYS 4 3HD LYS 4 10.655 3.672 -7.493
40 HE2 LYS 4 2HE LYS 4 11.326 4.252 -5.444
41 HE3 LYS 4 3HE LYS 4 9.673 4.519 -4.893
42 HZ1 LYS 4 1HZ LYS 4 9.573 2.500 -3.967
43 HZ2 LYS 4 2HZ LYS 4 11.262 2.540 -4.029
44 HZ3 LYS 4 3HZ LYS 4 10.391 1.743 -5.240
45 H PHE 5 H PHE 5 7.220 1.424 -9.619
46 HA PHE 5 HA PHE 5 6.662 2.195 -12.363
47 HB2 PHE 5 2HB PHE 5 7.538 -0.440 -11.163
48 HB3 PHE 5 3HB PHE 5 7.336 -0.144 -12.887
49 HD1 PHE 5 HD1 PHE 5 8.851 1.397 -14.064
50 HD2 PHE 5 HD2 PHE 5 9.454 0.332 -9.988
51 HE1 PHE 5 HE1 PHE 5 11.167 2.217 -14.196
52 HE2 PHE 5 HE2 PHE 5 11.770 1.151 -10.113
53 HZ PHE 5 HZ PHE 5 12.630 2.095 -12.218
54 H ASN 6 H ASN 6 5.217 0.326 -9.779
55 HA ASN 6 HA ASN 6 3.318 -1.143 -11.140
56 HB2 ASN 6 2HB ASN 6 3.600 -0.078 -8.410
57 HB3 ASN 6 3HB ASN 6 1.939 -0.401 -8.898
58 HD21 ASN 6 1HD2 ASN 6 1.269 -2.325 -8.328
59 HD22 ASN 6 2HD2 ASN 6 2.227 -3.760 -8.240
60 HA PRO 7 HA PRO 7 0.338 1.606 -12.817
61 HB2 PRO 7 2HB PRO 7 -1.999 0.323 -12.305
62 HB3 PRO 7 3HB PRO 7 -0.838 -0.241 -13.512
63 HG2 PRO 7 2HG PRO 7 -1.264 -1.190 -10.705
64 HG3 PRO 7 3HG PRO 7 -0.990 -2.139 -12.177
65 HD2 PRO 7 2HD PRO 7 0.975 -1.631 -10.385
66 HD3 PRO 7 3HD PRO 7 1.289 -1.798 -12.124
67 H THR 8 H THR 8 -0.260 0.538 -9.507
68 HA THR 8 HA THR 8 -2.257 2.359 -8.804
69 HB THR 8 HB THR 8 -1.418 0.381 -7.437
70 HG1 THR 8 HG1 THR 8 -2.005 1.449 -5.489
71 HG21 THR 8 1HG2 THR 8 0.971 1.046 -7.467
72 HG22 THR 8 2HG2 THR 8 0.350 0.789 -5.836
73 HG23 THR 8 3HG2 THR 8 0.569 2.428 -6.448
74 H GLY 9 H GLY 9 1.073 2.865 -9.440
75 HA2 GLY 9 2HA GLY 9 1.754 5.010 -7.840
76 HA3 GLY 9 3HA GLY 9 2.330 4.788 -9.485
77 H THR 10 H THR 10 -0.110 5.049 -10.850
78 HA THR 10 HA THR 10 -0.325 7.905 -10.910
79 HB THR 10 HB THR 10 -1.967 5.847 -12.400
80 HG1 THR 10 HG1 THR 10 0.071 5.573 -13.130
81 HG21 THR 10 1HG2 THR 10 -3.060 7.536 -13.369
82 HG22 THR 10 2HG2 THR 10 -1.556 8.391 -13.711
83 HG23 THR 10 3HG2 THR 10 -2.354 8.599 -12.153
84 H ILE 11 H ILE 11 -2.616 5.273 -10.189
85 HA ILE 11 HA ILE 11 -4.834 6.813 -9.566
86 HB ILE 11 HB ILE 11 -3.993 4.198 -8.311
87 HG12 ILE 11 2HG1 ILE 11 -6.062 3.707 -10.066
88 HG13 ILE 11 3HG1 ILE 11 -5.133 4.943 -10.906
89 HG21 ILE 11 1HG2 ILE 11 -5.663 5.307 -6.947
90 HG22 ILE 11 2HG2 ILE 11 -6.683 5.558 -8.363
91 HG23 ILE 11 3HG2 ILE 11 -6.378 3.924 -7.776
92 HD11 ILE 11 1HD1 ILE 11 -3.114 3.391 -10.275
93 HD12 ILE 11 2HD1 ILE 11 -4.380 2.165 -10.183
94 HD13 ILE 11 3HD1 ILE 11 -4.123 3.057 -11.683
95 H VAL 12 H VAL 12 -2.406 5.521 -7.293
96 HA VAL 12 HA VAL 12 -3.372 6.679 -4.969
97 HB VAL 12 HB VAL 12 -0.499 6.144 -5.734
98 HG11 VAL 12 1HG1 VAL 12 -1.718 6.712 -3.034
99 HG12 VAL 12 2HG1 VAL 12 -0.069 6.141 -3.301
100 HG13 VAL 12 3HG1 VAL 12 -0.565 7.723 -3.905
101 HG21 VAL 12 1HG2 VAL 12 -2.038 4.448 -3.844
102 HG22 VAL 12 2HG2 VAL 12 -2.394 4.298 -5.565
103 HG23 VAL 12 3HG2 VAL 12 -0.758 4.008 -4.975
104 H LYS 13 H LYS 13 -1.519 8.101 -7.566
105 HA LYS 13 HA LYS 13 -0.844 10.494 -6.134
106 HB2 LYS 13 2HB LYS 13 0.538 10.813 -7.860
107 HB3 LYS 13 3HB LYS 13 -0.040 9.292 -8.527
108 HG2 LYS 13 2HG LYS 13 -1.780 10.490 -9.755
109 HG3 LYS 13 3HG LYS 13 -1.195 12.016 -9.088
110 HD2 LYS 13 2HD LYS 13 1.094 11.001 -10.123
111 HD3 LYS 13 3HD LYS 13 -0.097 10.345 -11.249
112 HE2 LYS 13 2HE LYS 13 0.313 12.352 -12.255
113 HE3 LYS 13 3HE LYS 13 -1.000 12.828 -11.180
114 HZ1 LYS 13 1HZ LYS 13 1.339 13.086 -9.724
115 HZ2 LYS 13 2HZ LYS 13 0.362 14.329 -10.325
116 HZ3 LYS 13 3HZ LYS 13 1.666 13.761 -11.241
117 H LYS 14 H LYS 14 -3.421 9.466 -8.276
118 HA LYS 14 HA LYS 14 -4.528 12.096 -8.600
119 HB2 LYS 14 2HB LYS 14 -5.652 9.353 -9.190
120 HB3 LYS 14 3HB LYS 14 -6.462 10.860 -9.599
121 HG2 LYS 14 2HG LYS 14 -3.822 9.883 -10.664
122 HG3 LYS 14 3HG LYS 14 -5.348 10.000 -11.542
123 HD2 LYS 14 2HD LYS 14 -5.313 12.451 -11.190
124 HD3 LYS 14 3HD LYS 14 -3.732 12.289 -10.421
125 HE2 LYS 14 2HE LYS 14 -2.665 11.949 -12.387
126 HE3 LYS 14 3HE LYS 14 -4.013 11.051 -13.085
127 HZ1 LYS 14 1HZ LYS 14 -3.706 13.135 -14.231
128 HZ2 LYS 14 2HZ LYS 14 -3.846 14.001 -12.786
129 HZ3 LYS 14 3HZ LYS 14 -5.180 13.162 -13.400
130 H LEU 15 H LEU 15 -5.448 9.199 -6.751
131 HA LEU 15 HA LEU 15 -7.740 10.211 -5.542
132 HB2 LEU 15 2HB LEU 15 -5.760 8.104 -4.815
133 HB3 LEU 15 3HB LEU 15 -6.980 8.577 -3.634
134 HG LEU 15 HG LEU 15 -7.452 6.536 -5.105
135 HD11 LEU 15 1HD1 LEU 15 -9.758 6.915 -4.993
136 HD12 LEU 15 2HD1 LEU 15 -9.575 8.654 -5.221
137 HD13 LEU 15 3HD1 LEU 15 -9.082 7.907 -3.701
138 HD21 LEU 15 1HD2 LEU 15 -6.747 7.551 -7.224
139 HD22 LEU 15 2HD2 LEU 15 -8.065 8.716 -7.099
140 HD23 LEU 15 3HD2 LEU 15 -8.420 6.998 -7.286
141 H THR 16 H THR 16 -4.366 10.682 -4.760
142 HA THR 16 HA THR 16 -4.817 11.839 -2.185
143 HB THR 16 HB THR 16 -2.401 12.013 -3.997
144 HG1 THR 16 HG1 THR 16 -3.112 9.895 -3.095
145 HG21 THR 16 1HG2 THR 16 -1.588 12.314 -1.361
146 HG22 THR 16 2HG2 THR 16 -3.037 13.313 -1.479
147 HG23 THR 16 3HG2 THR 16 -1.685 13.586 -2.578
148 H GLN 17 H GLN 17 -4.706 13.037 -5.455
149 HA GLN 17 HA GLN 17 -4.210 15.734 -5.036
150 HB2 GLN 17 2HB GLN 17 -4.543 14.410 -7.238
151 HB3 GLN 17 3HB GLN 17 -6.246 14.799 -7.037
152 HG2 GLN 17 2HG GLN 17 -5.346 17.240 -6.772
153 HG3 GLN 17 3HG GLN 17 -3.947 16.593 -7.628
154 HE21 GLN 17 1HE2 GLN 17 -4.656 15.169 -9.573
155 HE22 GLN 17 2HE2 GLN 17 -5.830 15.894 -10.612
156 H TYR 18 H TYR 18 -7.025 13.857 -4.306
157 HA TYR 18 HA TYR 18 -8.642 16.246 -3.843
158 HB2 TYR 18 2HB TYR 18 -9.359 13.312 -3.668
159 HB3 TYR 18 3HB TYR 18 -10.484 14.644 -3.428
160 HD1 TYR 18 HD1 TYR 18 -11.633 15.550 -5.247
161 HD2 TYR 18 HD2 TYR 18 -8.181 13.164 -5.950
162 HE1 TYR 18 HE1 TYR 18 -12.102 15.595 -7.661
163 HE2 TYR 18 HE2 TYR 18 -8.640 13.203 -8.366
164 HH TYR 18 HH TYR 18 -9.979 14.933 -9.958
165 H GLU 19 H GLU 19 -6.900 13.767 -2.141
166 HA GLU 19 HA GLU 19 -8.109 14.204 0.408
167 HB2 GLU 19 2HB GLU 19 -5.461 12.934 -0.311
168 HB3 GLU 19 3HB GLU 19 -6.210 12.879 1.279
169 HG2 GLU 19 2HG GLU 19 -7.540 11.803 -1.189
170 HG3 GLU 19 3HG GLU 19 -6.491 10.833 -0.157
171 H ILE 20 H ILE 20 -5.269 15.458 -1.250
172 HA ILE 20 HA ILE 20 -3.969 16.727 0.837
173 HB ILE 20 HB ILE 20 -4.253 17.734 -1.997
174 HG12 ILE 20 2HG1 ILE 20 -1.787 16.375 -1.096
175 HG13 ILE 20 3HG1 ILE 20 -3.208 15.347 -1.242
176 HG21 ILE 20 1HG2 ILE 20 -1.755 18.417 -0.911
177 HG22 ILE 20 2HG2 ILE 20 -3.083 19.498 -1.333
178 HG23 ILE 20 3HG2 ILE 20 -2.960 18.850 0.302
179 HD11 ILE 20 1HD1 ILE 20 -2.660 15.154 -3.383
180 HD12 ILE 20 2HD1 ILE 20 -3.236 16.810 -3.572
181 HD13 ILE 20 3HD1 ILE 20 -1.523 16.499 -3.296
182 H ALA 21 H ALA 21 -6.853 17.683 -0.899
183 HA ALA 21 HA ALA 21 -7.055 20.359 -0.268
184 HB1 ALA 21 1HB ALA 21 -8.674 19.477 -1.718
185 HB2 ALA 21 2HB ALA 21 -9.159 18.237 -0.561
186 HB3 ALA 21 3HB ALA 21 -9.566 19.927 -0.265
187 H TRP 22 H TRP 22 -8.020 17.573 1.708
188 HA TRP 22 HA TRP 22 -9.214 18.880 3.825
189 HB2 TRP 22 2HB TRP 22 -9.179 16.441 3.610
190 HB3 TRP 22 3HB TRP 22 -7.447 16.425 3.931
191 HD1 TRP 22 HD1 TRP 22 -6.660 16.839 6.459
192 HE1 TRP 22 HE1 TRP 22 -7.913 16.635 8.699
193 HE3 TRP 22 HE3 TRP 22 -11.461 16.778 4.702
194 HZ2 TRP 22 HZ2 TRP 22 -10.582 16.470 9.601
195 HZ3 TRP 22 HZ3 TRP 22 -13.306 16.594 6.319
196 HH2 TRP 22 HH2 TRP 22 -12.874 16.442 8.717
197 H PHE 23 H PHE 23 -5.767 18.235 3.302
198 HA PHE 23 HA PHE 23 -4.969 19.482 5.757
199 HB2 PHE 23 2HB PHE 23 -3.465 17.846 5.026
200 HB3 PHE 23 3HB PHE 23 -3.511 18.412 3.360
201 HD1 PHE 23 HD1 PHE 23 -2.260 19.207 6.745
202 HD2 PHE 23 HD2 PHE 23 -1.972 20.004 2.574
203 HE1 PHE 23 HE1 PHE 23 -0.212 20.512 7.139
204 HE2 PHE 23 HE2 PHE 23 0.077 21.310 2.961
205 HZ PHE 23 HZ PHE 23 0.960 21.564 5.246
206 H LYS 24 H LYS 24 -5.436 20.499 2.461
207 HA LYS 24 HA LYS 24 -3.938 22.873 2.489
208 HB2 LYS 24 2HB LYS 24 -4.827 21.884 0.431
209 HB3 LYS 24 3HB LYS 24 -6.468 22.230 0.961
210 HG2 LYS 24 2HG LYS 24 -6.153 24.011 -0.400
211 HG3 LYS 24 3HG LYS 24 -5.502 24.696 1.091
212 HD2 LYS 24 2HD LYS 24 -3.239 23.824 0.311
213 HD3 LYS 24 3HD LYS 24 -4.002 23.567 -1.260
214 HE2 LYS 24 2HE LYS 24 -4.025 26.212 0.179
215 HE3 LYS 24 3HE LYS 24 -2.775 25.753 -0.975
216 HZ1 LYS 24 1HZ LYS 24 -5.341 25.299 -2.075
217 HZ2 LYS 24 2HZ LYS 24 -4.102 26.299 -2.645
218 HZ3 LYS 24 3HZ LYS 24 -5.227 26.897 -1.533
219 H ASN 25 H ASN 25 -7.078 22.089 3.778
220 HA ASN 25 HA ASN 25 -7.867 24.825 4.190
221 HB2 ASN 25 2HB ASN 25 -9.006 22.200 5.161
222 HB3 ASN 25 3HB ASN 25 -9.714 23.764 5.551
223 HD21 ASN 25 1HD2 ASN 25 -9.941 21.212 3.542
224 HD22 ASN 25 2HD2 ASN 25 -10.704 21.963 2.185
225 H LYS 26 H LYS 26 -5.768 22.713 5.743
226 HA LYS 26 HA LYS 26 -6.154 23.880 8.390
227 HB2 LYS 26 2HB LYS 26 -4.058 21.863 7.605
228 HB3 LYS 26 3HB LYS 26 -4.689 22.201 9.211
229 HG2 LYS 26 2HG LYS 26 -6.288 20.993 6.964
230 HG3 LYS 26 3HG LYS 26 -5.507 20.077 8.255
231 HD2 LYS 26 2HD LYS 26 -6.963 20.865 9.872
232 HD3 LYS 26 3HD LYS 26 -7.388 22.300 8.936
233 HE2 LYS 26 2HE LYS 26 -8.448 20.667 7.272
234 HE3 LYS 26 3HE LYS 26 -8.312 19.467 8.557
235 HZ1 LYS 26 1HZ LYS 26 -9.491 21.952 9.406
236 HZ2 LYS 26 2HZ LYS 26 -10.009 20.363 9.669
237 HZ3 LYS 26 3HZ LYS 26 -10.393 21.149 8.221
238 H HIS 27 H HIS 27 -3.951 23.965 5.683
239 HA HIS 27 HA HIS 27 -2.549 26.200 6.951
240 HB2 HIS 27 2HB HIS 27 -1.117 23.926 5.563
241 HB3 HIS 27 3HB HIS 27 -0.368 25.351 6.277
242 HD1 HIS 27 HD1 HIS 27 -2.173 22.187 7.257
243 HD2 HIS 27 HD2 HIS 27 0.132 25.184 8.978
244 HE1 HIS 27 HE1 HIS 27 -1.677 21.396 9.592
245 H GLY 28 H GLY 28 -2.981 24.296 3.980
246 HA2 GLY 28 2HA GLY 28 -3.751 25.264 1.945
247 HA3 GLY 28 3HA GLY 28 -3.137 26.819 2.487
248 H TYR 29 H TYR 29 -1.220 23.924 2.762
249 HA TYR 29 HA TYR 29 0.425 24.829 0.493
250 HB2 TYR 29 2HB TYR 29 1.278 23.997 3.255
251 HB3 TYR 29 3HB TYR 29 2.381 23.880 1.889
252 HD1 TYR 29 HD1 TYR 29 0.125 26.344 3.560
253 HD2 TYR 29 HD2 TYR 29 3.724 25.696 1.385
254 HE1 TYR 29 HE1 TYR 29 0.717 28.715 3.843
255 HE2 TYR 29 HE2 TYR 29 4.326 28.064 1.663
256 HH TYR 29 HH TYR 29 2.852 30.091 3.856
257 H TYR 30 H TYR 30 2.246 22.876 0.312
258 HA TYR 30 HA TYR 30 0.895 20.295 0.367
259 HB2 TYR 30 2HB TYR 30 2.154 21.137 -2.221
260 HB3 TYR 30 3HB TYR 30 0.964 19.875 -1.924
261 HD1 TYR 30 HD1 TYR 30 -1.366 20.339 -2.009
262 HD2 TYR 30 HD2 TYR 30 1.444 23.528 -2.208
263 HE1 TYR 30 HE1 TYR 30 -3.168 21.878 -2.665
264 HE2 TYR 30 HE2 TYR 30 -0.351 25.076 -2.864
265 HH TYR 30 HH TYR 30 -3.567 23.945 -3.622
266 HA PRO 31 HA PRO 31 5.581 19.675 -0.644
267 HB2 PRO 31 2HB PRO 31 7.107 21.907 -0.885
268 HB3 PRO 31 3HB PRO 31 6.270 21.164 -2.253
269 HG2 PRO 31 2HG PRO 31 5.467 23.525 -0.598
270 HG3 PRO 31 3HG PRO 31 5.386 23.312 -2.356
271 HD2 PRO 31 2HD PRO 31 3.223 23.026 -0.753
272 HD3 PRO 31 3HD PRO 31 3.437 22.087 -2.244
273 H TRP 32 H TRP 32 7.818 20.643 0.470
274 HA TRP 32 HA TRP 32 7.218 20.513 3.292
275 HB2 TRP 32 2HB TRP 32 9.480 20.044 3.620
276 HB3 TRP 32 3HB TRP 32 9.168 19.359 2.027
277 HD1 TRP 32 HD1 TRP 32 11.219 21.997 3.787
278 HE1 TRP 32 HE1 TRP 32 12.814 23.104 2.097
279 HE3 TRP 32 HE3 TRP 32 9.318 20.029 -0.532
280 HZ2 TRP 32 HZ2 TRP 32 13.213 23.139 -0.697
281 HZ3 TRP 32 HZ3 TRP 32 10.364 20.651 -2.671
282 HH2 TRP 32 HH2 TRP 32 12.270 22.174 -2.750
283 H GLU 33 H GLU 33 7.092 22.981 1.223
284 HA GLU 33 HA GLU 33 8.540 24.954 2.781
285 HB2 GLU 33 2HB GLU 33 6.671 25.478 0.474
286 HB3 GLU 33 3HB GLU 33 7.952 26.518 1.081
287 HG2 GLU 33 2HG GLU 33 9.636 25.016 0.273
288 HG3 GLU 33 3HG GLU 33 8.415 23.832 -0.190
289 H ILE 34 H ILE 34 6.702 23.764 4.387
290 HA ILE 34 HA ILE 34 4.360 25.510 4.483
291 HB ILE 34 HB ILE 34 5.039 23.108 6.184
292 HG12 ILE 34 2HG1 ILE 34 2.812 23.137 4.201
293 HG13 ILE 34 3HG1 ILE 34 4.454 22.960 3.591
294 HG21 ILE 34 1HG2 ILE 34 2.440 24.616 5.943
295 HG22 ILE 34 2HG2 ILE 34 2.762 23.225 6.977
296 HG23 ILE 34 3HG2 ILE 34 3.572 24.760 7.287
297 HD11 ILE 34 1HD1 ILE 34 3.102 21.176 5.601
298 HD12 ILE 34 2HD1 ILE 34 3.424 20.800 3.908
299 HD13 ILE 34 3HD1 ILE 34 4.763 21.008 5.036
300 HA PRO 35 HA PRO 35 6.237 28.103 7.535
301 HB2 PRO 35 2HB PRO 35 3.982 29.385 8.337
302 HB3 PRO 35 3HB PRO 35 4.791 29.732 6.804
303 HG2 PRO 35 2HG PRO 35 2.391 28.024 7.335
304 HG3 PRO 35 3HG PRO 35 2.666 29.190 6.028
305 HD2 PRO 35 2HD PRO 35 2.943 26.519 5.680
306 HD3 PRO 35 3HD PRO 35 3.929 27.704 4.799
307 H ARG 36 H ARG 36 5.307 28.913 9.865
308 HA ARG 36 HA ARG 36 5.524 26.664 11.547
309 HB2 ARG 36 2HB ARG 36 4.527 29.439 12.221
310 HB3 ARG 36 3HB ARG 36 5.057 28.227 13.381
311 HG2 ARG 36 2HG ARG 36 7.036 29.241 13.258
312 HG3 ARG 36 3HG ARG 36 7.213 28.404 11.714
313 HD2 ARG 36 2HD ARG 36 6.890 30.288 10.504
314 HD3 ARG 36 3HD ARG 36 5.718 30.945 11.645
315 HE ARG 36 HE ARG 36 8.537 31.444 11.589
316 HH11 ARG 36 1HH1 ARG 36 5.728 31.280 13.639
317 HH12 ARG 36 2HH1 ARG 36 6.374 32.359 14.831
318 HH21 ARG 36 1HH2 ARG 36 9.398 32.865 13.151
319 HH22 ARG 36 2HH2 ARG 36 8.462 33.261 14.552
320 H CYS 37 H CYS 37 3.907 26.179 13.316
321 HA CYS 37 HA CYS 37 1.342 25.644 12.062
322 HB2 CYS 37 2HB CYS 37 2.886 24.537 14.319
323 HB3 CYS 37 3HB CYS 37 1.142 24.564 14.554
324 HG CYS 37 HG CYS 37 2.538 22.128 13.394
Start of MODEL 6
1 H MET 1 H MET 1 2.122 -0.940 0.259
2 HA MET 1 HA MET 1 1.915 -0.741 -2.652
3 HB2 MET 1 2HB MET 1 0.288 0.657 -0.523
4 HB3 MET 1 3HB MET 1 -0.045 0.646 -2.249
5 HG2 MET 1 2HG MET 1 -1.185 -1.238 -2.079
6 HG3 MET 1 3HG MET 1 0.163 -2.040 -1.276
7 HE1 MET 1 1HE MET 1 -2.014 -3.352 -0.485
8 HE2 MET 1 2HE MET 1 -0.872 -3.429 0.857
9 HE3 MET 1 3HE MET 1 -2.572 -3.069 1.164
10 H LYS 2 H LYS 2 4.246 0.104 -2.416
11 HA LYS 2 HA LYS 2 4.108 3.004 -2.582
12 HB2 LYS 2 2HB LYS 2 5.774 1.511 -0.580
13 HB3 LYS 2 3HB LYS 2 6.316 3.062 -1.207
14 HG2 LYS 2 2HG LYS 2 3.888 3.809 -0.512
15 HG3 LYS 2 3HG LYS 2 4.029 2.429 0.579
16 HD2 LYS 2 2HD LYS 2 6.343 3.492 1.161
17 HD3 LYS 2 3HD LYS 2 5.619 4.959 0.499
18 HE2 LYS 2 2HE LYS 2 3.744 3.718 2.252
19 HE3 LYS 2 3HE LYS 2 5.294 3.845 3.081
20 HZ1 LYS 2 1HZ LYS 2 3.504 5.954 2.154
21 HZ2 LYS 2 2HZ LYS 2 5.164 6.259 2.049
22 HZ3 LYS 2 3HZ LYS 2 4.466 5.885 3.544
23 H PHE 3 H PHE 3 4.304 1.820 -4.805
24 HA PHE 3 HA PHE 3 7.156 1.485 -5.453
25 HB2 PHE 3 2HB PHE 3 4.663 0.271 -6.582
26 HB3 PHE 3 3HB PHE 3 6.079 0.444 -7.614
27 HD1 PHE 3 HD1 PHE 3 7.164 -1.555 -7.870
28 HD2 PHE 3 HD2 PHE 3 5.578 -0.548 -4.050
29 HE1 PHE 3 HE1 PHE 3 8.096 -3.633 -6.939
30 HE2 PHE 3 HE2 PHE 3 6.508 -2.624 -3.113
31 HZ PHE 3 HZ PHE 3 7.770 -4.169 -4.557
32 H LYS 4 H LYS 4 7.639 2.095 -7.810
33 HA LYS 4 HA LYS 4 6.350 4.683 -8.387
34 HB2 LYS 4 2HB LYS 4 9.172 3.915 -9.128
35 HB3 LYS 4 3HB LYS 4 8.441 5.513 -9.194
36 HG2 LYS 4 2HG LYS 4 9.403 5.865 -7.222
37 HG3 LYS 4 3HG LYS 4 8.147 4.819 -6.554
38 HD2 LYS 4 2HD LYS 4 9.622 2.879 -6.852
39 HD3 LYS 4 3HD LYS 4 10.878 3.939 -7.495
40 HE2 LYS 4 2HE LYS 4 9.681 4.424 -4.790
41 HE3 LYS 4 3HE LYS 4 10.978 3.250 -5.009
42 HZ1 LYS 4 1HZ LYS 4 11.499 5.791 -6.254
43 HZ2 LYS 4 2HZ LYS 4 12.485 4.860 -5.243
44 HZ3 LYS 4 3HZ LYS 4 11.325 5.894 -4.574
45 H PHE 5 H PHE 5 7.517 1.659 -9.679
46 HA PHE 5 HA PHE 5 6.919 2.418 -12.416
47 HB2 PHE 5 2HB PHE 5 7.894 -0.172 -11.200
48 HB3 PHE 5 3HB PHE 5 7.614 0.061 -12.923
49 HD1 PHE 5 HD1 PHE 5 8.822 2.229 -13.902
50 HD2 PHE 5 HD2 PHE 5 10.036 0.079 -10.435
51 HE1 PHE 5 HE1 PHE 5 11.103 3.117 -14.154
52 HE2 PHE 5 HE2 PHE 5 12.318 0.965 -10.681
53 HZ PHE 5 HZ PHE 5 12.854 2.486 -12.541
54 H ASN 6 H ASN 6 5.534 0.508 -9.827
55 HA ASN 6 HA ASN 6 3.658 -0.998 -11.180
56 HB2 ASN 6 2HB ASN 6 3.934 0.067 -8.448
57 HB3 ASN 6 3HB ASN 6 2.279 -0.296 -8.927
58 HD21 ASN 6 1HD2 ASN 6 1.651 -2.246 -8.398
59 HD22 ASN 6 2HD2 ASN 6 2.648 -3.654 -8.305
60 HA PRO 7 HA PRO 7 0.606 1.688 -12.828
61 HB2 PRO 7 2HB PRO 7 -1.698 0.351 -12.305
62 HB3 PRO 7 3HB PRO 7 -0.532 -0.183 -13.521
63 HG2 PRO 7 2HG PRO 7 -0.918 -1.150 -10.715
64 HG3 PRO 7 3HG PRO 7 -0.632 -2.088 -12.192
65 HD2 PRO 7 2HD PRO 7 1.333 -1.541 -10.411
66 HD3 PRO 7 3HD PRO 7 1.639 -1.696 -12.153
67 H THR 8 H THR 8 0.056 0.597 -9.517
68 HA THR 8 HA THR 8 -1.977 2.370 -8.794
69 HB THR 8 HB THR 8 -1.084 0.407 -7.440
70 HG1 THR 8 HG1 THR 8 -2.422 1.365 -6.116
71 HG21 THR 8 1HG2 THR 8 0.686 0.851 -5.850
72 HG22 THR 8 2HG2 THR 8 0.863 2.497 -6.458
73 HG23 THR 8 3HG2 THR 8 1.289 1.127 -7.484
74 H GLY 9 H GLY 9 1.336 2.954 -9.453
75 HA2 GLY 9 2HA GLY 9 1.978 5.109 -7.850
76 HA3 GLY 9 3HA GLY 9 2.548 4.905 -9.500
77 H THR 10 H THR 10 0.094 5.114 -10.848
78 HA THR 10 HA THR 10 -0.187 7.965 -10.897
79 HB THR 10 HB THR 10 -1.793 5.876 -12.382
80 HG1 THR 10 HG1 THR 10 -0.295 6.169 -14.018
81 HG21 THR 10 1HG2 THR 10 -2.927 7.542 -13.343
82 HG22 THR 10 2HG2 THR 10 -1.444 8.434 -13.685
83 HG23 THR 10 3HG2 THR 10 -2.241 8.615 -12.123
84 H ILE 11 H ILE 11 -2.412 5.279 -10.168
85 HA ILE 11 HA ILE 11 -4.661 6.765 -9.525
86 HB ILE 11 HB ILE 11 -3.751 4.166 -8.285
87 HG12 ILE 11 2HG1 ILE 11 -5.820 3.632 -10.026
88 HG13 ILE 11 3HG1 ILE 11 -4.928 4.894 -10.869
89 HG21 ILE 11 1HG2 ILE 11 -6.124 3.835 -7.732
90 HG22 ILE 11 2HG2 ILE 11 -5.435 5.232 -6.906
91 HG23 ILE 11 3HG2 ILE 11 -6.473 5.463 -8.313
92 HD11 ILE 11 1HD1 ILE 11 -2.868 3.386 -10.257
93 HD12 ILE 11 2HD1 ILE 11 -4.105 2.131 -10.165
94 HD13 ILE 11 3HD1 ILE 11 -3.877 3.037 -11.660
95 H VAL 12 H VAL 12 -2.189 5.522 -7.273
96 HA VAL 12 HA VAL 12 -3.164 6.651 -4.939
97 HB VAL 12 HB VAL 12 -0.285 6.185 -5.725
98 HG11 VAL 12 1HG1 VAL 12 -0.374 7.756 -3.891
99 HG12 VAL 12 2HG1 VAL 12 -1.497 6.714 -3.014
100 HG13 VAL 12 3HG1 VAL 12 0.162 6.185 -3.297
101 HG21 VAL 12 1HG2 VAL 12 -2.137 4.297 -5.548
102 HG22 VAL 12 2HG2 VAL 12 -0.490 4.041 -4.973
103 HG23 VAL 12 3HG2 VAL 12 -1.769 4.446 -3.829
104 H LYS 13 H LYS 13 -1.363 8.123 -7.544
105 HA LYS 13 HA LYS 13 -0.733 10.527 -6.109
106 HB2 LYS 13 2HB LYS 13 0.629 10.883 -7.844
107 HB3 LYS 13 3HB LYS 13 0.081 9.351 -8.512
108 HG2 LYS 13 2HG LYS 13 -1.694 10.513 -9.724
109 HG3 LYS 13 3HG LYS 13 -1.140 12.050 -9.056
110 HD2 LYS 13 2HD LYS 13 0.827 10.340 -10.493
111 HD3 LYS 13 3HD LYS 13 -0.370 11.221 -11.445
112 HE2 LYS 13 2HE LYS 13 0.362 13.256 -10.013
113 HE3 LYS 13 3HE LYS 13 1.790 12.282 -9.663
114 HZ1 LYS 13 1HZ LYS 13 2.394 13.516 -11.513
115 HZ2 LYS 13 2HZ LYS 13 0.884 13.356 -12.258
116 HZ3 LYS 13 3HZ LYS 13 1.938 12.034 -12.190
117 H LYS 14 H LYS 14 -3.301 9.446 -8.237
118 HA LYS 14 HA LYS 14 -4.470 12.051 -8.544
119 HB2 LYS 14 2HB LYS 14 -5.535 9.285 -9.136
120 HB3 LYS 14 3HB LYS 14 -6.382 10.774 -9.535
121 HG2 LYS 14 2HG LYS 14 -3.727 9.861 -10.620
122 HG3 LYS 14 3HG LYS 14 -5.262 9.945 -11.488
123 HD2 LYS 14 2HD LYS 14 -5.280 12.396 -11.128
124 HD3 LYS 14 3HD LYS 14 -3.691 12.268 -10.370
125 HE2 LYS 14 2HE LYS 14 -3.072 11.050 -12.609
126 HE3 LYS 14 3HE LYS 14 -4.472 11.923 -13.230
127 HZ1 LYS 14 1HZ LYS 14 -3.200 13.704 -13.433
128 HZ2 LYS 14 2HZ LYS 14 -1.874 12.886 -12.774
129 HZ3 LYS 14 3HZ LYS 14 -2.938 13.727 -11.762
130 H LEU 15 H LEU 15 -5.310 9.128 -6.699
131 HA LEU 15 HA LEU 15 -7.617 10.083 -5.471
132 HB2 LEU 15 2HB LEU 15 -5.583 8.020 -4.764
133 HB3 LEU 15 3HB LEU 15 -6.806 8.461 -3.574
134 HG LEU 15 HG LEU 15 -7.241 6.414 -5.047
135 HD11 LEU 15 1HD1 LEU 15 -9.640 7.860 -5.497
136 HD12 LEU 15 2HD1 LEU 15 -8.944 8.410 -3.973
137 HD13 LEU 15 3HD1 LEU 15 -9.276 6.696 -4.223
138 HD21 LEU 15 1HD2 LEU 15 -7.914 8.584 -7.032
139 HD22 LEU 15 2HD2 LEU 15 -8.235 6.860 -7.220
140 HD23 LEU 15 3HD2 LEU 15 -6.573 7.448 -7.169
141 H THR 16 H THR 16 -4.249 10.629 -4.711
142 HA THR 16 HA THR 16 -4.710 11.769 -2.129
143 HB THR 16 HB THR 16 -2.310 12.003 -3.954
144 HG1 THR 16 HG1 THR 16 -2.590 10.404 -1.623
145 HG21 THR 16 1HG2 THR 16 -1.601 13.574 -2.532
146 HG22 THR 16 2HG2 THR 16 -1.507 12.307 -1.308
147 HG23 THR 16 3HG2 THR 16 -2.961 13.295 -1.445
148 H GLN 17 H GLN 17 -4.646 12.977 -5.396
149 HA GLN 17 HA GLN 17 -4.208 15.684 -4.974
150 HB2 GLN 17 2HB GLN 17 -4.856 14.114 -7.136
151 HB3 GLN 17 3HB GLN 17 -6.288 15.118 -6.959
152 HG2 GLN 17 2HG GLN 17 -5.162 17.056 -7.436
153 HG3 GLN 17 3HG GLN 17 -3.609 16.410 -6.909
154 HE21 GLN 17 1HE2 GLN 17 -2.261 15.610 -8.387
155 HE22 GLN 17 2HE2 GLN 17 -2.642 15.370 -10.055
156 H TYR 18 H TYR 18 -6.975 13.742 -4.231
157 HA TYR 18 HA TYR 18 -8.643 16.094 -3.752
158 HB2 TYR 18 2HB TYR 18 -9.291 13.144 -3.579
159 HB3 TYR 18 3HB TYR 18 -10.445 14.450 -3.328
160 HD1 TYR 18 HD1 TYR 18 -8.127 13.026 -5.869
161 HD2 TYR 18 HD2 TYR 18 -11.623 15.338 -5.138
162 HE1 TYR 18 HE1 TYR 18 -8.602 13.059 -8.282
163 HE2 TYR 18 HE2 TYR 18 -12.109 15.377 -7.549
164 HH TYR 18 HH TYR 18 -10.648 13.343 -9.752
165 H GLU 19 H GLU 19 -6.835 13.651 -2.066
166 HA GLU 19 HA GLU 19 -8.037 14.056 0.492
167 HB2 GLU 19 2HB GLU 19 -5.367 12.846 -0.249
168 HB3 GLU 19 3HB GLU 19 -6.101 12.773 1.347
169 HG2 GLU 19 2HG GLU 19 -7.420 11.667 -1.114
170 HG3 GLU 19 3HG GLU 19 -6.350 10.721 -0.082
171 H ILE 20 H ILE 20 -5.236 15.376 -1.182
172 HA ILE 20 HA ILE 20 -3.952 16.669 0.900
173 HB ILE 20 HB ILE 20 -4.275 17.675 -1.930
174 HG12 ILE 20 2HG1 ILE 20 -1.774 16.369 -1.046
175 HG13 ILE 20 3HG1 ILE 20 -3.173 15.310 -1.187
176 HG21 ILE 20 1HG2 ILE 20 -3.141 19.464 -1.268
177 HG22 ILE 20 2HG2 ILE 20 -2.992 18.813 0.364
178 HG23 ILE 20 3HG2 ILE 20 -1.786 18.412 -0.859
179 HD11 ILE 20 1HD1 ILE 20 -1.511 16.461 -3.244
180 HD12 ILE 20 2HD1 ILE 20 -2.679 15.143 -3.338
181 HD13 ILE 20 3HD1 ILE 20 -3.219 16.813 -3.511
182 H ALA 21 H ALA 21 -6.867 17.565 -0.817
183 HA ALA 21 HA ALA 21 -7.123 20.234 -0.181
184 HB1 ALA 21 1HB ALA 21 -9.083 18.036 -0.629
185 HB2 ALA 21 2HB ALA 21 -9.666 19.596 -0.047
186 HB3 ALA 21 3HB ALA 21 -8.788 19.497 -1.573
187 H TRP 22 H TRP 22 -8.015 17.424 1.796
188 HA TRP 22 HA TRP 22 -9.225 18.701 3.923
189 HB2 TRP 22 2HB TRP 22 -9.166 16.276 3.737
190 HB3 TRP 22 3HB TRP 22 -7.420 16.274 3.973
191 HD1 TRP 22 HD1 TRP 22 -6.516 16.737 6.465
192 HE1 TRP 22 HE1 TRP 22 -7.654 16.493 8.761
193 HE3 TRP 22 HE3 TRP 22 -11.389 16.516 4.936
194 HZ2 TRP 22 HZ2 TRP 22 -10.271 16.241 9.788
195 HZ3 TRP 22 HZ3 TRP 22 -13.150 16.273 6.638
196 HH2 TRP 22 HH2 TRP 22 -12.600 16.138 9.013
197 H PHE 23 H PHE 23 -5.768 18.135 3.378
198 HA PHE 23 HA PHE 23 -4.984 19.396 5.830
199 HB2 PHE 23 2HB PHE 23 -3.448 17.796 5.087
200 HB3 PHE 23 3HB PHE 23 -3.516 18.364 3.422
201 HD1 PHE 23 HD1 PHE 23 -2.020 19.994 2.631
202 HD2 PHE 23 HD2 PHE 23 -2.261 19.178 6.801
203 HE1 PHE 23 HE1 PHE 23 0.002 21.345 3.009
204 HE2 PHE 23 HE2 PHE 23 -0.241 20.528 7.186
205 HZ PHE 23 HZ PHE 23 0.893 21.614 5.289
206 H LYS 24 H LYS 24 -5.493 20.408 2.538
207 HA LYS 24 HA LYS 24 -4.050 22.815 2.562
208 HB2 LYS 24 2HB LYS 24 -4.927 21.808 0.507
209 HB3 LYS 24 3HB LYS 24 -6.572 22.117 1.047
210 HG2 LYS 24 2HG LYS 24 -6.306 23.907 -0.313
211 HG3 LYS 24 3HG LYS 24 -5.661 24.604 1.175
212 HD2 LYS 24 2HD LYS 24 -3.384 23.784 0.380
213 HD3 LYS 24 3HD LYS 24 -4.151 23.511 -1.186
214 HE2 LYS 24 2HE LYS 24 -4.224 26.154 0.256
215 HE3 LYS 24 3HE LYS 24 -2.971 25.724 -0.908
216 HZ1 LYS 24 1HZ LYS 24 -4.328 26.432 -2.489
217 HZ2 LYS 24 2HZ LYS 24 -5.591 26.674 -1.389
218 HZ3 LYS 24 3HZ LYS 24 -5.389 25.165 -2.127
219 H ASN 25 H ASN 25 -7.164 21.957 3.867
220 HA ASN 25 HA ASN 25 -8.014 24.673 4.288
221 HB2 ASN 25 2HB ASN 25 -9.089 22.035 5.302
222 HB3 ASN 25 3HB ASN 25 -9.844 23.593 5.626
223 HD21 ASN 25 1HD2 ASN 25 -10.142 20.977 3.803
224 HD22 ASN 25 2HD2 ASN 25 -10.842 21.650 2.374
225 H LYS 26 H LYS 26 -5.858 22.608 5.826
226 HA LYS 26 HA LYS 26 -6.256 23.765 8.476
227 HB2 LYS 26 2HB LYS 26 -4.122 21.793 7.676
228 HB3 LYS 26 3HB LYS 26 -4.746 22.119 9.287
229 HG2 LYS 26 2HG LYS 26 -6.343 20.879 7.056
230 HG3 LYS 26 3HG LYS 26 -5.525 19.976 8.335
231 HD2 LYS 26 2HD LYS 26 -6.944 20.832 9.996
232 HD3 LYS 26 3HD LYS 26 -7.514 22.140 8.957
233 HE2 LYS 26 2HE LYS 26 -8.419 20.223 7.466
234 HE3 LYS 26 3HE LYS 26 -8.232 19.232 8.912
235 HZ1 LYS 26 1HZ LYS 26 -10.131 21.367 8.357
236 HZ2 LYS 26 2HZ LYS 26 -9.527 21.298 9.935
237 HZ3 LYS 26 3HZ LYS 26 -10.322 19.959 9.275
238 H HIS 27 H HIS 27 -4.070 23.899 5.757
239 HA HIS 27 HA HIS 27 -2.711 26.164 7.020
240 HB2 HIS 27 2HB HIS 27 -1.237 23.924 5.620
241 HB3 HIS 27 3HB HIS 27 -0.516 25.364 6.333
242 HD1 HIS 27 HD1 HIS 27 -2.247 22.160 7.317
243 HD2 HIS 27 HD2 HIS 27 0.006 25.202 9.029
244 HE1 HIS 27 HE1 HIS 27 -1.719 21.376 9.648
245 H GLY 28 H GLY 28 -3.118 24.254 4.049
246 HA2 GLY 28 2HA GLY 28 -3.921 25.208 2.020
247 HA3 GLY 28 3HA GLY 28 -3.339 26.776 2.561
248 H TYR 29 H TYR 29 -1.355 23.925 2.821
249 HA TYR 29 HA TYR 29 0.256 24.870 0.543
250 HB2 TYR 29 2HB TYR 29 1.143 24.054 3.299
251 HB3 TYR 29 3HB TYR 29 2.241 23.964 1.926
252 HD1 TYR 29 HD1 TYR 29 -0.061 26.373 3.615
253 HD2 TYR 29 HD2 TYR 29 3.539 25.811 1.418
254 HE1 TYR 29 HE1 TYR 29 0.477 28.756 3.899
255 HE2 TYR 29 HE2 TYR 29 4.087 28.192 1.696
256 HH TYR 29 HH TYR 29 1.819 30.474 2.881
257 H TYR 30 H TYR 30 2.120 22.959 0.350
258 HA TYR 30 HA TYR 30 0.828 20.348 0.408
259 HB2 TYR 30 2HB TYR 30 2.053 21.222 -2.186
260 HB3 TYR 30 3HB TYR 30 0.894 19.932 -1.883
261 HD1 TYR 30 HD1 TYR 30 -1.446 20.343 -1.955
262 HD2 TYR 30 HD2 TYR 30 1.288 23.596 -2.165
263 HE1 TYR 30 HE1 TYR 30 -3.288 21.841 -2.598
264 HE2 TYR 30 HE2 TYR 30 -0.545 25.103 -2.808
265 HH TYR 30 HH TYR 30 -3.398 24.141 -3.960
266 HA PRO 31 HA PRO 31 5.521 19.836 -0.630
267 HB2 PRO 31 2HB PRO 31 6.994 22.103 -0.876
268 HB3 PRO 31 3HB PRO 31 6.167 21.342 -2.240
269 HG2 PRO 31 2HG PRO 31 5.320 23.683 -0.577
270 HG3 PRO 31 3HG PRO 31 5.234 23.470 -2.335
271 HD2 PRO 31 2HD PRO 31 3.087 23.133 -0.720
272 HD3 PRO 31 3HD PRO 31 3.314 22.201 -2.214
273 H TRP 32 H TRP 32 7.742 20.854 0.473
274 HA TRP 32 HA TRP 32 7.160 20.706 3.298
275 HB2 TRP 32 2HB TRP 32 9.435 20.288 3.612
276 HB3 TRP 32 3HB TRP 32 9.129 19.598 2.021
277 HD1 TRP 32 HD1 TRP 32 11.130 22.280 3.773
278 HE1 TRP 32 HE1 TRP 32 12.689 23.425 2.075
279 HE3 TRP 32 HE3 TRP 32 9.250 20.275 -0.538
280 HZ2 TRP 32 HZ2 TRP 32 13.071 23.473 -0.721
281 HZ3 TRP 32 HZ3 TRP 32 10.269 20.923 -2.682
282 HH2 TRP 32 HH2 TRP 32 12.139 22.489 -2.770
283 H GLU 33 H GLU 33 6.967 23.173 1.233
284 HA GLU 33 HA GLU 33 8.378 25.176 2.787
285 HB2 GLU 33 2HB GLU 33 6.485 25.661 0.491
286 HB3 GLU 33 3HB GLU 33 7.745 26.729 1.093
287 HG2 GLU 33 2HG GLU 33 9.458 25.266 0.273
288 HG3 GLU 33 3HG GLU 33 8.262 24.056 -0.186
289 H ILE 34 H ILE 34 6.577 23.942 4.401
290 HA ILE 34 HA ILE 34 4.196 25.634 4.513
291 HB ILE 34 HB ILE 34 4.939 23.246 6.206
292 HG12 ILE 34 2HG1 ILE 34 2.701 23.226 4.236
293 HG13 ILE 34 3HG1 ILE 34 4.343 23.090 3.616
294 HG21 ILE 34 1HG2 ILE 34 3.441 24.863 7.319
295 HG22 ILE 34 2HG2 ILE 34 2.306 24.695 5.981
296 HG23 ILE 34 3HG2 ILE 34 2.664 23.310 7.012
297 HD11 ILE 34 1HD1 ILE 34 4.724 21.099 4.858
298 HD12 ILE 34 2HD1 ILE 34 3.208 21.293 5.740
299 HD13 ILE 34 3HD1 ILE 34 3.185 20.924 4.016
300 HA PRO 35 HA PRO 35 6.031 28.265 7.558
301 HB2 PRO 35 2HB PRO 35 3.752 29.495 8.375
302 HB3 PRO 35 3HB PRO 35 4.545 29.862 6.838
303 HG2 PRO 35 2HG PRO 35 2.186 28.099 7.379
304 HG3 PRO 35 3HG PRO 35 2.429 29.273 6.073
305 HD2 PRO 35 2HD PRO 35 2.764 26.610 5.719
306 HD3 PRO 35 3HD PRO 35 3.718 27.818 4.834
307 H ARG 36 H ARG 36 5.096 29.050 9.895
308 HA ARG 36 HA ARG 36 4.336 26.610 11.357
309 HB2 ARG 36 2HB ARG 36 5.818 27.491 13.222
310 HB3 ARG 36 3HB ARG 36 6.645 26.854 11.807
311 HG2 ARG 36 2HG ARG 36 6.092 29.734 11.718
312 HG3 ARG 36 3HG ARG 36 7.210 29.221 12.984
313 HD2 ARG 36 2HD ARG 36 8.812 28.604 11.507
314 HD3 ARG 36 3HD ARG 36 7.642 28.057 10.306
315 HE ARG 36 HE ARG 36 7.700 30.137 9.350
316 HH11 ARG 36 1HH1 ARG 36 9.145 30.288 12.514
317 HH12 ARG 36 2HH1 ARG 36 9.723 31.909 12.316
318 HH21 ARG 36 1HH2 ARG 36 8.456 32.272 9.077
319 HH22 ARG 36 2HH2 ARG 36 9.330 33.037 10.361
320 H CYS 37 H CYS 37 3.421 27.050 13.522
321 HA CYS 37 HA CYS 37 1.880 29.561 13.506
322 HB2 CYS 37 2HB CYS 37 0.677 27.289 13.228
323 HB3 CYS 37 3HB CYS 37 1.016 27.062 14.940
324 HG CYS 37 HG CYS 37 -0.313 29.575 15.562
Start of MODEL 7
1 H MET 1 H MET 1 6.994 -1.289 -0.688
2 HA MET 1 HA MET 1 4.574 -0.008 0.009
3 HB2 MET 1 2HB MET 1 6.922 -0.283 1.259
4 HB3 MET 1 3HB MET 1 7.158 1.333 0.609
5 HG2 MET 1 2HG MET 1 6.258 1.797 2.659
6 HG3 MET 1 3HG MET 1 4.819 1.796 1.642
7 HE1 MET 1 1HE MET 1 5.110 1.766 4.569
8 HE2 MET 1 2HE MET 1 4.013 0.548 5.221
9 HE3 MET 1 3HE MET 1 5.757 0.283 5.274
10 H LYS 2 H LYS 2 3.563 1.073 -1.609
11 HA LYS 2 HA LYS 2 3.119 2.674 -3.166
12 HB2 LYS 2 2HB LYS 2 5.195 4.102 -1.503
13 HB3 LYS 2 3HB LYS 2 4.279 4.887 -2.782
14 HG2 LYS 2 2HG LYS 2 2.568 5.228 -1.421
15 HG3 LYS 2 3HG LYS 2 2.496 3.514 -1.005
16 HD2 LYS 2 2HD LYS 2 4.362 3.921 0.617
17 HD3 LYS 2 3HD LYS 2 4.190 5.647 0.289
18 HE2 LYS 2 2HE LYS 2 2.610 5.732 1.848
19 HE3 LYS 2 3HE LYS 2 1.606 4.699 0.832
20 HZ1 LYS 2 1HZ LYS 2 3.261 3.989 3.145
21 HZ2 LYS 2 2HZ LYS 2 3.051 2.835 1.927
22 HZ3 LYS 2 3HZ LYS 2 1.705 3.467 2.733
23 H PHE 3 H PHE 3 4.286 0.974 -4.563
24 HA PHE 3 HA PHE 3 6.879 1.303 -5.496
25 HB2 PHE 3 2HB PHE 3 4.391 0.124 -6.668
26 HB3 PHE 3 3HB PHE 3 5.816 0.301 -7.686
27 HD1 PHE 3 HD1 PHE 3 5.305 -0.720 -4.133
28 HD2 PHE 3 HD2 PHE 3 6.864 -1.716 -7.966
29 HE1 PHE 3 HE1 PHE 3 6.214 -2.815 -3.215
30 HE2 PHE 3 HE2 PHE 3 7.775 -3.812 -7.055
31 HZ PHE 3 HZ PHE 3 7.450 -4.364 -4.677
32 H LYS 4 H LYS 4 7.412 1.946 -7.827
33 HA LYS 4 HA LYS 4 6.156 4.553 -8.388
34 HB2 LYS 4 2HB LYS 4 8.969 3.765 -9.136
35 HB3 LYS 4 3HB LYS 4 8.260 5.374 -9.149
36 HG2 LYS 4 2HG LYS 4 9.304 5.610 -7.188
37 HG3 LYS 4 3HG LYS 4 7.948 4.682 -6.543
38 HD2 LYS 4 2HD LYS 4 9.316 2.605 -7.020
39 HD3 LYS 4 3HD LYS 4 10.681 3.684 -7.318
40 HE2 LYS 4 2HE LYS 4 9.094 3.475 -4.760
41 HE3 LYS 4 3HE LYS 4 10.718 2.844 -5.031
42 HZ1 LYS 4 1HZ LYS 4 11.051 5.398 -5.702
43 HZ2 LYS 4 2HZ LYS 4 11.311 4.804 -4.141
44 HZ3 LYS 4 3HZ LYS 4 9.850 5.564 -4.523
45 H PHE 5 H PHE 5 7.283 1.528 -9.710
46 HA PHE 5 HA PHE 5 6.723 2.332 -12.442
47 HB2 PHE 5 2HB PHE 5 7.545 -0.360 -11.331
48 HB3 PHE 5 3HB PHE 5 7.468 0.069 -13.036
49 HD1 PHE 5 HD1 PHE 5 9.726 -0.645 -10.693
50 HD2 PHE 5 HD2 PHE 5 8.734 2.604 -13.258
51 HE1 PHE 5 HE1 PHE 5 12.056 0.140 -10.594
52 HE2 PHE 5 HE2 PHE 5 11.063 3.394 -13.163
53 HZ PHE 5 HZ PHE 5 12.727 2.161 -11.831
54 H ASN 6 H ASN 6 5.277 0.428 -9.885
55 HA ASN 6 HA ASN 6 3.391 -1.037 -11.269
56 HB2 ASN 6 2HB ASN 6 3.653 0.007 -8.528
57 HB3 ASN 6 3HB ASN 6 1.998 -0.329 -9.028
58 HD21 ASN 6 1HD2 ASN 6 1.489 -2.169 -8.060
59 HD22 ASN 6 2HD2 ASN 6 2.404 -3.632 -8.141
60 HA PRO 7 HA PRO 7 0.405 1.712 -12.934
61 HB2 PRO 7 2HB PRO 7 -1.928 0.412 -12.445
62 HB3 PRO 7 3HB PRO 7 -0.758 -0.134 -13.652
63 HG2 PRO 7 2HG PRO 7 -1.192 -1.112 -10.856
64 HG3 PRO 7 3HG PRO 7 -0.906 -2.046 -12.336
65 HD2 PRO 7 2HD PRO 7 1.048 -1.545 -10.530
66 HD3 PRO 7 3HD PRO 7 1.371 -1.693 -12.269
67 H THR 8 H THR 8 -0.202 0.610 -9.637
68 HA THR 8 HA THR 8 -2.211 2.413 -8.925
69 HB THR 8 HB THR 8 -1.368 0.427 -7.574
70 HG1 THR 8 HG1 THR 8 -2.792 1.497 -6.396
71 HG21 THR 8 1HG2 THR 8 0.604 2.476 -6.556
72 HG22 THR 8 2HG2 THR 8 1.017 1.105 -7.586
73 HG23 THR 8 3HG2 THR 8 0.390 0.830 -5.960
74 H GLY 9 H GLY 9 1.119 2.943 -9.542
75 HA2 GLY 9 2HA GLY 9 1.780 5.077 -7.918
76 HA3 GLY 9 3HA GLY 9 2.365 4.873 -9.563
77 H THR 10 H THR 10 -0.070 5.134 -10.937
78 HA THR 10 HA THR 10 -0.301 7.989 -10.970
79 HB THR 10 HB THR 10 -1.925 5.937 -12.487
80 HG1 THR 10 HG1 THR 10 -0.329 6.862 -14.172
81 HG21 THR 10 1HG2 THR 10 -3.022 7.628 -13.446
82 HG22 THR 10 2HG2 THR 10 -1.522 8.496 -13.771
83 HG23 THR 10 3HG2 THR 10 -2.329 8.683 -12.215
84 H ILE 11 H ILE 11 -2.580 5.338 -10.285
85 HA ILE 11 HA ILE 11 -4.810 6.860 -9.657
86 HB ILE 11 HB ILE 11 -3.960 4.237 -8.423
87 HG12 ILE 11 2HG1 ILE 11 -6.018 3.752 -10.192
88 HG13 ILE 11 3HG1 ILE 11 -5.092 5.001 -11.016
89 HG21 ILE 11 1HG2 ILE 11 -5.642 5.324 -7.056
90 HG22 ILE 11 2HG2 ILE 11 -6.657 5.584 -8.474
91 HG23 ILE 11 3HG2 ILE 11 -6.346 3.945 -7.901
92 HD11 ILE 11 1HD1 ILE 11 -3.068 3.454 -10.391
93 HD12 ILE 11 2HD1 ILE 11 -4.327 2.221 -10.317
94 HD13 ILE 11 3HD1 ILE 11 -4.068 3.128 -11.806
95 H VAL 12 H VAL 12 -2.385 5.559 -7.385
96 HA VAL 12 HA VAL 12 -3.367 6.690 -5.055
97 HB VAL 12 HB VAL 12 -0.488 6.178 -5.812
98 HG11 VAL 12 1HG1 VAL 12 -0.070 6.154 -3.378
99 HG12 VAL 12 2HG1 VAL 12 -0.570 7.740 -3.969
100 HG13 VAL 12 3HG1 VAL 12 -1.721 6.713 -3.112
101 HG21 VAL 12 1HG2 VAL 12 -2.066 4.464 -3.959
102 HG22 VAL 12 2HG2 VAL 12 -2.343 4.311 -5.694
103 HG23 VAL 12 3HG2 VAL 12 -0.732 4.037 -5.031
104 H LYS 13 H LYS 13 -1.511 8.147 -7.630
105 HA LYS 13 HA LYS 13 -0.855 10.530 -6.173
106 HB2 LYS 13 2HB LYS 13 0.532 10.872 -7.890
107 HB3 LYS 13 3HB LYS 13 -0.035 9.355 -8.574
108 HG2 LYS 13 2HG LYS 13 -1.776 10.556 -9.798
109 HG3 LYS 13 3HG LYS 13 -1.202 12.078 -9.114
110 HD2 LYS 13 2HD LYS 13 0.925 10.534 -10.362
111 HD3 LYS 13 3HD LYS 13 -0.372 10.940 -11.489
112 HE2 LYS 13 2HE LYS 13 -0.136 13.269 -11.035
113 HE3 LYS 13 3HE LYS 13 0.954 12.956 -9.686
114 HZ1 LYS 13 1HZ LYS 13 2.295 13.616 -11.481
115 HZ2 LYS 13 2HZ LYS 13 1.493 12.607 -12.576
116 HZ3 LYS 13 3HZ LYS 13 2.486 11.937 -11.381
117 H LYS 14 H LYS 14 -3.418 9.508 -8.335
118 HA LYS 14 HA LYS 14 -4.538 12.135 -8.638
119 HB2 LYS 14 2HB LYS 14 -5.644 9.393 -9.261
120 HB3 LYS 14 3HB LYS 14 -6.459 10.900 -9.659
121 HG2 LYS 14 2HG LYS 14 -3.809 9.946 -10.720
122 HG3 LYS 14 3HG LYS 14 -5.332 10.065 -11.606
123 HD2 LYS 14 2HD LYS 14 -5.310 12.512 -11.229
124 HD3 LYS 14 3HD LYS 14 -3.732 12.350 -10.453
125 HE2 LYS 14 2HE LYS 14 -2.694 11.704 -12.455
126 HE3 LYS 14 3HE LYS 14 -4.232 11.345 -13.237
127 HZ1 LYS 14 1HZ LYS 14 -4.725 13.628 -13.425
128 HZ2 LYS 14 2HZ LYS 14 -3.122 13.464 -13.938
129 HZ3 LYS 14 3HZ LYS 14 -3.458 14.080 -12.398
130 H LEU 15 H LEU 15 -5.449 9.214 -6.823
131 HA LEU 15 HA LEU 15 -7.753 10.203 -5.615
132 HB2 LEU 15 2HB LEU 15 -5.767 8.096 -4.902
133 HB3 LEU 15 3HB LEU 15 -6.995 8.551 -3.722
134 HG LEU 15 HG LEU 15 -7.453 6.525 -5.215
135 HD11 LEU 15 1HD1 LEU 15 -9.751 6.882 -5.084
136 HD12 LEU 15 2HD1 LEU 15 -9.595 8.617 -5.357
137 HD13 LEU 15 3HD1 LEU 15 -9.094 7.918 -3.817
138 HD21 LEU 15 1HD2 LEU 15 -8.054 8.720 -7.194
139 HD22 LEU 15 2HD2 LEU 15 -8.410 7.005 -7.398
140 HD23 LEU 15 3HD2 LEU 15 -6.735 7.556 -7.320
141 H THR 16 H THR 16 -4.384 10.680 -4.813
142 HA THR 16 HA THR 16 -4.857 11.810 -2.228
143 HB THR 16 HB THR 16 -2.424 11.998 -4.015
144 HG1 THR 16 HG1 THR 16 -1.746 10.213 -2.980
145 HG21 THR 16 1HG2 THR 16 -1.750 13.578 -2.578
146 HG22 THR 16 2HG2 THR 16 -1.609 12.280 -1.392
147 HG23 THR 16 3HG2 THR 16 -3.080 13.249 -1.468
148 H GLN 17 H GLN 17 -4.714 13.035 -5.486
149 HA GLN 17 HA GLN 17 -4.220 15.729 -5.040
150 HB2 GLN 17 2HB GLN 17 -4.632 14.332 -7.246
151 HB3 GLN 17 3HB GLN 17 -6.270 14.944 -7.064
152 HG2 GLN 17 2HG GLN 17 -5.702 17.016 -7.683
153 HG3 GLN 17 3HG GLN 17 -4.185 16.977 -6.786
154 HE21 GLN 17 1HE2 GLN 17 -5.446 14.958 -9.411
155 HE22 GLN 17 2HE2 GLN 17 -4.129 15.239 -10.493
156 H TYR 18 H TYR 18 -7.043 13.848 -4.353
157 HA TYR 18 HA TYR 18 -8.662 16.236 -3.883
158 HB2 TYR 18 2HB TYR 18 -9.386 13.302 -3.739
159 HB3 TYR 18 3HB TYR 18 -10.511 14.635 -3.504
160 HD1 TYR 18 HD1 TYR 18 -8.186 13.157 -6.008
161 HD2 TYR 18 HD2 TYR 18 -11.628 15.566 -5.332
162 HE1 TYR 18 HE1 TYR 18 -8.616 13.212 -8.429
163 HE2 TYR 18 HE2 TYR 18 -12.067 15.627 -7.751
164 HH TYR 18 HH TYR 18 -11.039 13.639 -9.858
165 H GLU 19 H GLU 19 -6.939 13.738 -2.188
166 HA GLU 19 HA GLU 19 -8.173 14.153 0.353
167 HB2 GLU 19 2HB GLU 19 -5.517 12.889 -0.349
168 HB3 GLU 19 3HB GLU 19 -6.286 12.816 1.230
169 HG2 GLU 19 2HG GLU 19 -7.612 11.781 -1.254
170 HG3 GLU 19 3HG GLU 19 -6.540 10.792 -0.264
171 H ILE 20 H ILE 20 -5.316 15.421 -1.266
172 HA ILE 20 HA ILE 20 -4.035 16.668 0.846
173 HB ILE 20 HB ILE 20 -4.292 17.703 -1.981
174 HG12 ILE 20 2HG1 ILE 20 -1.835 16.334 -1.069
175 HG13 ILE 20 3HG1 ILE 20 -3.255 15.307 -1.239
176 HG21 ILE 20 1HG2 ILE 20 -3.019 18.794 0.342
177 HG22 ILE 20 2HG2 ILE 20 -1.804 18.373 -0.864
178 HG23 ILE 20 3HG2 ILE 20 -3.127 19.460 -1.287
179 HD11 ILE 20 1HD1 ILE 20 -1.534 16.426 -3.261
180 HD12 ILE 20 2HD1 ILE 20 -2.743 15.148 -3.386
181 HD13 ILE 20 3HD1 ILE 20 -3.224 16.836 -3.551
182 H ALA 21 H ALA 21 -6.903 17.643 -0.907
183 HA ALA 21 HA ALA 21 -7.108 20.313 -0.254
184 HB1 ALA 21 1HB ALA 21 -9.692 19.146 0.019
185 HB2 ALA 21 2HB ALA 21 -9.028 20.063 -1.334
186 HB3 ALA 21 3HB ALA 21 -8.826 18.312 -1.272
187 H TRP 22 H TRP 22 -8.093 17.509 1.687
188 HA TRP 22 HA TRP 22 -9.306 18.796 3.805
189 HB2 TRP 22 2HB TRP 22 -9.301 16.373 3.604
190 HB3 TRP 22 3HB TRP 22 -7.559 16.327 3.860
191 HD1 TRP 22 HD1 TRP 22 -6.679 16.817 6.372
192 HE1 TRP 22 HE1 TRP 22 -7.848 16.556 8.650
193 HE3 TRP 22 HE3 TRP 22 -11.527 16.563 4.771
194 HZ2 TRP 22 HZ2 TRP 22 -10.477 16.279 9.637
195 HZ3 TRP 22 HZ3 TRP 22 -13.310 16.299 6.446
196 HH2 TRP 22 HH2 TRP 22 -12.794 16.160 8.829
197 H PHE 23 H PHE 23 -5.855 18.155 3.308
198 HA PHE 23 HA PHE 23 -5.079 19.379 5.782
199 HB2 PHE 23 2HB PHE 23 -3.570 17.749 5.050
200 HB3 PHE 23 3HB PHE 23 -3.599 18.331 3.389
201 HD1 PHE 23 HD1 PHE 23 -2.053 19.930 2.633
202 HD2 PHE 23 HD2 PHE 23 -2.378 19.091 6.793
203 HE1 PHE 23 HE1 PHE 23 -0.007 21.231 3.051
204 HE2 PHE 23 HE2 PHE 23 -0.333 20.391 7.218
205 HZ PHE 23 HZ PHE 23 0.855 21.464 5.347
206 H LYS 24 H LYS 24 -5.515 20.427 2.491
207 HA LYS 24 HA LYS 24 -4.017 22.800 2.555
208 HB2 LYS 24 2HB LYS 24 -4.887 21.830 0.480
209 HB3 LYS 24 3HB LYS 24 -6.532 22.172 0.998
210 HG2 LYS 24 2HG LYS 24 -6.205 23.966 -0.344
211 HG3 LYS 24 3HG LYS 24 -5.567 24.636 1.160
212 HD2 LYS 24 2HD LYS 24 -3.297 23.770 0.392
213 HD3 LYS 24 3HD LYS 24 -4.047 23.529 -1.187
214 HE2 LYS 24 2HE LYS 24 -4.082 26.160 0.275
215 HE3 LYS 24 3HE LYS 24 -2.821 25.711 -0.871
216 HZ1 LYS 24 1HZ LYS 24 -4.224 26.750 -2.285
217 HZ2 LYS 24 2HZ LYS 24 -5.602 26.432 -1.358
218 HZ3 LYS 24 3HZ LYS 24 -4.951 25.223 -2.346
219 H ASN 25 H ASN 25 -7.170 22.005 3.807
220 HA ASN 25 HA ASN 25 -7.962 24.737 4.237
221 HB2 ASN 25 2HB ASN 25 -9.108 22.088 5.118
222 HB3 ASN 25 3HB ASN 25 -9.802 23.630 5.611
223 HD21 ASN 25 1HD2 ASN 25 -9.735 21.240 3.258
224 HD22 ASN 25 2HD2 ASN 25 -10.643 22.058 2.037
225 H LYS 26 H LYS 26 -5.877 22.610 5.790
226 HA LYS 26 HA LYS 26 -6.288 23.754 8.444
227 HB2 LYS 26 2HB LYS 26 -4.185 21.742 7.660
228 HB3 LYS 26 3HB LYS 26 -4.831 22.067 9.263
229 HG2 LYS 26 2HG LYS 26 -6.411 20.880 6.992
230 HG3 LYS 26 3HG LYS 26 -5.641 19.952 8.281
231 HD2 LYS 26 2HD LYS 26 -7.025 21.016 9.941
232 HD3 LYS 26 3HD LYS 26 -7.710 22.101 8.729
233 HE2 LYS 26 2HE LYS 26 -8.230 19.672 7.628
234 HE3 LYS 26 3HE LYS 26 -8.353 19.302 9.347
235 HZ1 LYS 26 1HZ LYS 26 -10.124 20.709 9.617
236 HZ2 LYS 26 2HZ LYS 26 -10.416 20.147 8.049
237 HZ3 LYS 26 3HZ LYS 26 -9.726 21.673 8.285
238 H HIS 27 H HIS 27 -4.060 23.862 5.758
239 HA HIS 27 HA HIS 27 -2.669 26.085 7.060
240 HB2 HIS 27 2HB HIS 27 -1.224 23.823 5.664
241 HB3 HIS 27 3HB HIS 27 -0.482 25.241 6.400
242 HD1 HIS 27 HD1 HIS 27 -2.298 22.069 7.332
243 HD2 HIS 27 HD2 HIS 27 -0.007 25.048 9.103
244 HE1 HIS 27 HE1 HIS 27 -1.824 21.256 9.664
245 H GLY 28 H GLY 28 -3.074 24.208 4.068
246 HA2 GLY 28 2HA GLY 28 -3.824 25.196 2.035
247 HA3 GLY 28 3HA GLY 28 -3.215 26.745 2.597
248 H TYR 29 H TYR 29 -1.302 23.847 2.864
249 HA TYR 29 HA TYR 29 0.365 24.772 0.618
250 HB2 TYR 29 2HB TYR 29 1.191 23.915 3.380
251 HB3 TYR 29 3HB TYR 29 2.307 23.810 2.023
252 HD1 TYR 29 HD1 TYR 29 0.037 26.260 3.696
253 HD2 TYR 29 HD2 TYR 29 3.655 25.630 1.548
254 HE1 TYR 29 HE1 TYR 29 0.626 28.628 4.006
255 HE2 TYR 29 HE2 TYR 29 4.255 27.996 1.852
256 HH TYR 29 HH TYR 29 3.107 30.144 2.282
257 H TYR 30 H TYR 30 2.187 22.820 0.436
258 HA TYR 30 HA TYR 30 0.835 20.240 0.455
259 HB2 TYR 30 2HB TYR 30 2.119 21.104 -2.113
260 HB3 TYR 30 3HB TYR 30 0.926 19.840 -1.838
261 HD1 TYR 30 HD1 TYR 30 1.409 23.495 -2.085
262 HD2 TYR 30 HD2 TYR 30 -1.404 20.306 -1.939
263 HE1 TYR 30 HE1 TYR 30 -0.379 25.050 -2.745
264 HE2 TYR 30 HE2 TYR 30 -3.199 21.852 -2.599
265 HH TYR 30 HH TYR 30 -2.739 24.726 -3.973
266 HA PRO 31 HA PRO 31 5.529 19.627 -0.516
267 HB2 PRO 31 2HB PRO 31 7.059 21.860 -0.723
268 HB3 PRO 31 3HB PRO 31 6.234 21.129 -2.105
269 HG2 PRO 31 2HG PRO 31 5.417 23.477 -0.437
270 HG3 PRO 31 3HG PRO 31 5.352 23.279 -2.198
271 HD2 PRO 31 2HD PRO 31 3.174 22.979 -0.618
272 HD3 PRO 31 3HD PRO 31 3.402 22.054 -2.115
273 H TRP 32 H TRP 32 7.756 20.584 0.628
274 HA TRP 32 HA TRP 32 7.129 20.429 3.442
275 HB2 TRP 32 2HB TRP 32 9.388 19.956 3.787
276 HB3 TRP 32 3HB TRP 32 9.091 19.285 2.186
277 HD1 TRP 32 HD1 TRP 32 11.126 21.907 3.988
278 HE1 TRP 32 HE1 TRP 32 12.737 23.028 2.324
279 HE3 TRP 32 HE3 TRP 32 9.266 19.978 -0.366
280 HZ2 TRP 32 HZ2 TRP 32 13.163 23.088 -0.466
281 HZ3 TRP 32 HZ3 TRP 32 10.332 20.618 -2.489
282 HH2 TRP 32 HH2 TRP 32 12.239 22.141 -2.536
283 H GLU 33 H GLU 33 7.024 22.915 1.394
284 HA GLU 33 HA GLU 33 8.457 24.873 2.984
285 HB2 GLU 33 2HB GLU 33 6.611 25.419 0.663
286 HB3 GLU 33 3HB GLU 33 7.886 26.453 1.293
287 HG2 GLU 33 2HG GLU 33 9.577 24.957 0.487
288 HG3 GLU 33 3HG GLU 33 8.360 23.778 0.001
289 H ILE 34 H ILE 34 6.605 23.670 4.562
290 HA ILE 34 HA ILE 34 4.262 25.416 4.651
291 HB ILE 34 HB ILE 34 4.924 22.999 6.337
292 HG12 ILE 34 2HG1 ILE 34 2.716 23.046 4.334
293 HG13 ILE 34 3HG1 ILE 34 4.363 22.875 3.737
294 HG21 ILE 34 1HG2 ILE 34 2.640 23.109 7.110
295 HG22 ILE 34 2HG2 ILE 34 3.448 24.641 7.441
296 HG23 ILE 34 3HG2 ILE 34 2.328 24.510 6.085
297 HD11 ILE 34 1HD1 ILE 34 3.262 21.098 5.883
298 HD12 ILE 34 2HD1 ILE 34 3.052 20.750 4.167
299 HD13 ILE 34 3HD1 ILE 34 4.672 20.845 4.856
300 HA PRO 35 HA PRO 35 6.111 27.981 7.744
301 HB2 PRO 35 2HB PRO 35 3.849 29.257 8.536
302 HB3 PRO 35 3HB PRO 35 4.672 29.617 7.014
303 HG2 PRO 35 2HG PRO 35 2.266 27.905 7.507
304 HG3 PRO 35 3HG PRO 35 2.555 29.083 6.213
305 HD2 PRO 35 2HD PRO 35 2.834 26.415 5.844
306 HD3 PRO 35 3HD PRO 35 3.829 27.607 4.983
307 H ARG 36 H ARG 36 5.159 28.771 10.072
308 HA ARG 36 HA ARG 36 4.551 26.278 11.521
309 HB2 ARG 36 2HB ARG 36 5.651 27.482 13.480
310 HB3 ARG 36 3HB ARG 36 6.711 26.955 12.180
311 HG2 ARG 36 2HG ARG 36 5.633 29.707 12.015
312 HG3 ARG 36 3HG ARG 36 6.852 29.379 13.248
313 HD2 ARG 36 2HD ARG 36 8.498 29.143 11.734
314 HD3 ARG 36 3HD ARG 36 7.463 28.276 10.600
315 HE ARG 36 HE ARG 36 6.787 31.035 10.727
316 HH11 ARG 36 1HH1 ARG 36 9.102 28.796 9.405
317 HH12 ARG 36 2HH1 ARG 36 9.501 29.804 8.054
318 HH21 ARG 36 1HH2 ARG 36 7.303 32.371 8.951
319 HH22 ARG 36 2HH2 ARG 36 8.477 31.838 7.797
320 H CYS 37 H CYS 37 3.303 26.506 13.507
321 HA CYS 37 HA CYS 37 1.286 28.627 13.242
322 HB2 CYS 37 2HB CYS 37 0.366 26.391 13.065
323 HB3 CYS 37 3HB CYS 37 1.140 25.915 14.571
324 HG CYS 37 HG CYS 37 -0.413 27.939 16.002
Start of MODEL 8
1 H MET 1 H MET 1 7.833 -0.256 0.296
2 HA MET 1 HA MET 1 5.029 -0.168 -0.212
3 HB2 MET 1 2HB MET 1 6.731 1.676 1.474
4 HB3 MET 1 3HB MET 1 4.977 1.561 1.525
5 HG2 MET 1 2HG MET 1 6.831 -0.718 2.167
6 HG3 MET 1 3HG MET 1 6.153 0.379 3.368
7 HE1 MET 1 1HE MET 1 3.043 0.052 3.978
8 HE2 MET 1 2HE MET 1 3.532 -1.513 4.627
9 HE3 MET 1 3HE MET 1 4.652 -0.151 4.672
10 H LYS 2 H LYS 2 3.861 1.201 -1.424
11 HA LYS 2 HA LYS 2 3.354 2.785 -2.976
12 HB2 LYS 2 2HB LYS 2 5.542 4.367 -1.613
13 HB3 LYS 2 3HB LYS 2 4.271 5.020 -2.639
14 HG2 LYS 2 2HG LYS 2 2.630 4.690 -1.038
15 HG3 LYS 2 3HG LYS 2 3.583 3.487 -0.166
16 HD2 LYS 2 2HD LYS 2 4.972 6.010 -0.266
17 HD3 LYS 2 3HD LYS 2 3.353 6.216 0.408
18 HE2 LYS 2 2HE LYS 2 5.172 4.020 1.342
19 HE3 LYS 2 3HE LYS 2 5.279 5.647 2.012
20 HZ1 LYS 2 1HZ LYS 2 2.597 4.618 1.925
21 HZ2 LYS 2 2HZ LYS 2 3.432 5.349 3.201
22 HZ3 LYS 2 3HZ LYS 2 3.629 3.696 2.898
23 H PHE 3 H PHE 3 4.392 1.145 -4.449
24 HA PHE 3 HA PHE 3 6.994 1.414 -5.431
25 HB2 PHE 3 2HB PHE 3 4.462 0.250 -6.531
26 HB3 PHE 3 3HB PHE 3 5.875 0.388 -7.573
27 HD1 PHE 3 HD1 PHE 3 7.010 -1.581 -7.802
28 HD2 PHE 3 HD2 PHE 3 5.277 -0.638 -4.031
29 HE1 PHE 3 HE1 PHE 3 7.902 -3.677 -6.872
30 HE2 PHE 3 HE2 PHE 3 6.166 -2.732 -3.094
31 HZ PHE 3 HZ PHE 3 7.482 -4.254 -4.515
32 H LYS 4 H LYS 4 7.517 2.068 -7.732
33 HA LYS 4 HA LYS 4 6.218 4.645 -8.327
34 HB2 LYS 4 2HB LYS 4 9.058 3.872 -9.001
35 HB3 LYS 4 3HB LYS 4 8.326 5.465 -9.138
36 HG2 LYS 4 2HG LYS 4 9.322 5.837 -7.171
37 HG3 LYS 4 3HG LYS 4 7.946 4.953 -6.506
38 HD2 LYS 4 2HD LYS 4 9.210 2.905 -6.481
39 HD3 LYS 4 3HD LYS 4 10.556 3.677 -7.321
40 HE2 LYS 4 2HE LYS 4 10.915 5.150 -5.413
41 HE3 LYS 4 3HE LYS 4 9.542 4.425 -4.579
42 HZ1 LYS 4 1HZ LYS 4 11.071 3.083 -3.696
43 HZ2 LYS 4 2HZ LYS 4 12.238 3.456 -4.862
44 HZ3 LYS 4 3HZ LYS 4 11.064 2.282 -5.186
45 H PHE 5 H PHE 5 7.314 1.598 -9.582
46 HA PHE 5 HA PHE 5 6.788 2.370 -12.337
47 HB2 PHE 5 2HB PHE 5 7.698 -0.250 -11.129
48 HB3 PHE 5 3HB PHE 5 7.495 0.036 -12.855
49 HD1 PHE 5 HD1 PHE 5 9.690 0.291 -10.055
50 HD2 PHE 5 HD2 PHE 5 8.897 1.862 -13.931
51 HE1 PHE 5 HE1 PHE 5 11.995 1.144 -10.178
52 HE2 PHE 5 HE2 PHE 5 11.200 2.717 -14.060
53 HZ PHE 5 HZ PHE 5 12.753 2.358 -12.182
54 H ASN 6 H ASN 6 5.354 0.478 -9.762
55 HA ASN 6 HA ASN 6 3.485 -1.017 -11.134
56 HB2 ASN 6 2HB ASN 6 3.735 0.054 -8.403
57 HB3 ASN 6 3HB ASN 6 2.082 -0.292 -8.902
58 HD21 ASN 6 1HD2 ASN 6 5.280 -1.799 -9.248
59 HD22 ASN 6 2HD2 ASN 6 4.765 -3.386 -8.801
60 HA PRO 7 HA PRO 7 0.477 1.687 -12.834
61 HB2 PRO 7 2HB PRO 7 -1.845 0.370 -12.337
62 HB3 PRO 7 3HB PRO 7 -0.667 -0.178 -13.536
63 HG2 PRO 7 2HG PRO 7 -1.098 -1.130 -10.731
64 HG3 PRO 7 3HG PRO 7 -0.800 -2.077 -12.200
65 HD2 PRO 7 2HD PRO 7 1.145 -1.539 -10.395
66 HD3 PRO 7 3HD PRO 7 1.473 -1.702 -12.132
67 H THR 8 H THR 8 -0.127 0.613 -9.527
68 HA THR 8 HA THR 8 -2.155 2.405 -8.838
69 HB THR 8 HB THR 8 -1.296 0.440 -7.465
70 HG1 THR 8 HG1 THR 8 -1.982 1.452 -5.558
71 HG21 THR 8 1HG2 THR 8 1.083 1.141 -7.479
72 HG22 THR 8 2HG2 THR 8 0.455 0.876 -5.852
73 HG23 THR 8 3HG2 THR 8 0.653 2.518 -6.464
74 H GLY 9 H GLY 9 1.172 2.959 -9.453
75 HA2 GLY 9 2HA GLY 9 1.810 5.115 -7.850
76 HA3 GLY 9 3HA GLY 9 2.400 4.900 -9.491
77 H THR 10 H THR 10 -0.034 5.124 -10.873
78 HA THR 10 HA THR 10 -0.290 7.977 -10.937
79 HB THR 10 HB THR 10 -1.893 5.895 -12.435
80 HG1 THR 10 HG1 THR 10 0.036 5.625 -13.315
81 HG21 THR 10 1HG2 THR 10 -3.002 7.566 -13.415
82 HG22 THR 10 2HG2 THR 10 -1.508 8.444 -13.746
83 HG23 THR 10 3HG2 THR 10 -2.321 8.640 -12.193
84 H ILE 11 H ILE 11 -2.547 5.312 -10.228
85 HA ILE 11 HA ILE 11 -4.792 6.820 -9.622
86 HB ILE 11 HB ILE 11 -3.921 4.218 -8.359
87 HG12 ILE 11 2HG1 ILE 11 -5.970 3.695 -10.127
88 HG13 ILE 11 3HG1 ILE 11 -5.054 4.945 -10.962
89 HG21 ILE 11 1HG2 ILE 11 -6.304 3.909 -7.838
90 HG22 ILE 11 2HG2 ILE 11 -5.616 5.304 -7.008
91 HG23 ILE 11 3HG2 ILE 11 -6.632 5.538 -8.430
92 HD11 ILE 11 1HD1 ILE 11 -4.014 3.070 -11.730
93 HD12 ILE 11 2HD1 ILE 11 -3.018 3.423 -10.317
94 HD13 ILE 11 3HD1 ILE 11 -4.265 2.179 -10.228
95 H VAL 12 H VAL 12 -2.361 5.565 -7.331
96 HA VAL 12 HA VAL 12 -3.358 6.711 -5.015
97 HB VAL 12 HB VAL 12 -0.473 6.217 -5.760
98 HG11 VAL 12 1HG1 VAL 12 -0.060 6.222 -3.325
99 HG12 VAL 12 2HG1 VAL 12 -0.574 7.797 -3.933
100 HG13 VAL 12 3HG1 VAL 12 -1.717 6.768 -3.069
101 HG21 VAL 12 1HG2 VAL 12 -0.732 4.072 -5.102
102 HG22 VAL 12 2HG2 VAL 12 -1.900 4.483 -3.847
103 HG23 VAL 12 3HG2 VAL 12 -2.416 4.370 -5.529
104 H LYS 13 H LYS 13 -1.510 8.158 -7.601
105 HA LYS 13 HA LYS 13 -0.879 10.562 -6.167
106 HB2 LYS 13 2HB LYS 13 0.509 10.899 -7.884
107 HB3 LYS 13 3HB LYS 13 -0.042 9.369 -8.554
108 HG2 LYS 13 2HG LYS 13 -1.791 10.542 -9.794
109 HG3 LYS 13 3HG LYS 13 -1.233 12.077 -9.124
110 HD2 LYS 13 2HD LYS 13 0.830 10.431 -10.437
111 HD3 LYS 13 3HD LYS 13 -0.421 11.078 -11.501
112 HE2 LYS 13 2HE LYS 13 1.102 12.771 -9.533
113 HE3 LYS 13 3HE LYS 13 1.634 12.517 -11.194
114 HZ1 LYS 13 1HZ LYS 13 -0.225 13.623 -12.032
115 HZ2 LYS 13 2HZ LYS 13 0.254 14.573 -10.717
116 HZ3 LYS 13 3HZ LYS 13 -1.071 13.533 -10.570
117 H LYS 14 H LYS 14 -3.427 9.494 -8.325
118 HA LYS 14 HA LYS 14 -4.570 12.108 -8.658
119 HB2 LYS 14 2HB LYS 14 -5.650 9.349 -9.254
120 HB3 LYS 14 3HB LYS 14 -6.478 10.843 -9.670
121 HG2 LYS 14 2HG LYS 14 -3.817 9.904 -10.715
122 HG3 LYS 14 3HG LYS 14 -5.339 9.998 -11.605
123 HD2 LYS 14 2HD LYS 14 -5.341 12.450 -11.254
124 HD3 LYS 14 3HD LYS 14 -3.764 12.312 -10.473
125 HE2 LYS 14 2HE LYS 14 -2.885 11.303 -12.569
126 HE3 LYS 14 3HE LYS 14 -4.445 11.616 -13.328
127 HZ1 LYS 14 1HZ LYS 14 -2.288 13.349 -13.110
128 HZ2 LYS 14 2HZ LYS 14 -3.498 13.973 -12.108
129 HZ3 LYS 14 3HZ LYS 14 -3.821 13.684 -13.743
130 H LEU 15 H LEU 15 -5.460 9.198 -6.814
131 HA LEU 15 HA LEU 15 -7.775 10.179 -5.621
132 HB2 LEU 15 2HB LEU 15 -5.771 8.099 -4.880
133 HB3 LEU 15 3HB LEU 15 -7.005 8.555 -3.708
134 HG LEU 15 HG LEU 15 -7.439 6.508 -5.180
135 HD11 LEU 15 1HD1 LEU 15 -9.090 8.175 -3.885
136 HD12 LEU 15 2HD1 LEU 15 -9.647 6.768 -4.790
137 HD13 LEU 15 3HD1 LEU 15 -9.703 8.369 -5.527
138 HD21 LEU 15 1HD2 LEU 15 -8.397 6.955 -7.369
139 HD22 LEU 15 2HD2 LEU 15 -6.729 7.525 -7.296
140 HD23 LEU 15 3HD2 LEU 15 -8.061 8.676 -7.183
141 H THR 16 H THR 16 -4.413 10.696 -4.816
142 HA THR 16 HA THR 16 -4.900 11.849 -2.245
143 HB THR 16 HB THR 16 -2.470 12.049 -4.035
144 HG1 THR 16 HG1 THR 16 -1.947 10.172 -3.206
145 HG21 THR 16 1HG2 THR 16 -1.828 13.660 -2.615
146 HG22 THR 16 2HG2 THR 16 -1.647 12.371 -1.425
147 HG23 THR 16 3HG2 THR 16 -3.140 13.308 -1.491
148 H GLN 17 H GLN 17 -4.773 13.044 -5.516
149 HA GLN 17 HA GLN 17 -4.313 15.748 -5.096
150 HB2 GLN 17 2HB GLN 17 -4.675 14.352 -7.292
151 HB3 GLN 17 3HB GLN 17 -6.344 14.875 -7.112
152 HG2 GLN 17 2HG GLN 17 -5.887 16.911 -7.864
153 HG3 GLN 17 3HG GLN 17 -4.490 17.073 -6.801
154 HE21 GLN 17 1HE2 GLN 17 -5.610 16.101 -9.940
155 HE22 GLN 17 2HE2 GLN 17 -4.057 16.007 -10.691
156 H TYR 18 H TYR 18 -7.112 13.838 -4.391
157 HA TYR 18 HA TYR 18 -8.761 16.210 -3.944
158 HB2 TYR 18 2HB TYR 18 -9.447 13.268 -3.772
159 HB3 TYR 18 3HB TYR 18 -10.589 14.588 -3.547
160 HD1 TYR 18 HD1 TYR 18 -8.246 13.123 -6.041
161 HD2 TYR 18 HD2 TYR 18 -11.723 15.486 -5.381
162 HE1 TYR 18 HE1 TYR 18 -8.679 13.151 -8.462
163 HE2 TYR 18 HE2 TYR 18 -12.166 15.519 -7.800
164 HH TYR 18 HH TYR 18 -11.558 13.973 -9.805
165 H GLU 19 H GLU 19 -7.007 13.751 -2.224
166 HA GLU 19 HA GLU 19 -8.246 14.176 0.313
167 HB2 GLU 19 2HB GLU 19 -5.575 12.937 -0.378
168 HB3 GLU 19 3HB GLU 19 -6.342 12.872 1.203
169 HG2 GLU 19 2HG GLU 19 -7.647 11.790 -1.273
170 HG3 GLU 19 3HG GLU 19 -6.576 10.827 -0.257
171 H ILE 20 H ILE 20 -5.404 15.462 -1.319
172 HA ILE 20 HA ILE 20 -4.139 16.746 0.780
173 HB ILE 20 HB ILE 20 -4.406 17.748 -2.058
174 HG12 ILE 20 2HG1 ILE 20 -1.934 16.418 -1.129
175 HG13 ILE 20 3HG1 ILE 20 -3.341 15.373 -1.290
176 HG21 ILE 20 1HG2 ILE 20 -3.267 19.527 -1.380
177 HG22 ILE 20 2HG2 ILE 20 -3.147 18.878 0.254
178 HG23 ILE 20 3HG2 ILE 20 -1.928 18.463 -0.950
179 HD11 ILE 20 1HD1 ILE 20 -3.323 16.880 -3.618
180 HD12 ILE 20 2HD1 ILE 20 -1.630 16.485 -3.321
181 HD13 ILE 20 3HD1 ILE 20 -2.830 15.197 -3.435
182 H ALA 21 H ALA 21 -7.017 17.668 -0.984
183 HA ALA 21 HA ALA 21 -7.255 20.342 -0.359
184 HB1 ALA 21 1HB ALA 21 -9.277 18.174 -0.756
185 HB2 ALA 21 2HB ALA 21 -9.788 19.803 -0.313
186 HB3 ALA 21 3HB ALA 21 -8.879 19.538 -1.801
187 H TRP 22 H TRP 22 -8.207 17.547 1.611
188 HA TRP 22 HA TRP 22 -9.436 18.843 3.715
189 HB2 TRP 22 2HB TRP 22 -9.426 16.429 3.568
190 HB3 TRP 22 3HB TRP 22 -7.676 16.384 3.763
191 HD1 TRP 22 HD1 TRP 22 -6.712 16.944 6.242
192 HE1 TRP 22 HE1 TRP 22 -7.799 16.682 8.560
193 HE3 TRP 22 HE3 TRP 22 -11.604 16.559 4.806
194 HZ2 TRP 22 HZ2 TRP 22 -10.387 16.356 9.638
195 HZ3 TRP 22 HZ3 TRP 22 -13.323 16.274 6.542
196 HH2 TRP 22 HH2 TRP 22 -12.726 16.174 8.908
197 H PHE 23 H PHE 23 -5.978 18.237 3.226
198 HA PHE 23 HA PHE 23 -5.218 19.496 5.687
199 HB2 PHE 23 2HB PHE 23 -3.688 17.876 4.973
200 HB3 PHE 23 3HB PHE 23 -3.724 18.441 3.305
201 HD1 PHE 23 HD1 PHE 23 -2.514 19.251 6.701
202 HD2 PHE 23 HD2 PHE 23 -2.197 20.051 2.533
203 HE1 PHE 23 HE1 PHE 23 -0.485 20.580 7.114
204 HE2 PHE 23 HE2 PHE 23 -0.167 21.381 2.939
205 HZ PHE 23 HZ PHE 23 0.692 21.646 5.232
206 H LYS 24 H LYS 24 -5.664 20.504 2.385
207 HA LYS 24 HA LYS 24 -4.194 22.895 2.425
208 HB2 LYS 24 2HB LYS 24 -5.052 21.893 0.359
209 HB3 LYS 24 3HB LYS 24 -6.701 22.221 0.873
210 HG2 LYS 24 2HG LYS 24 -6.395 24.004 -0.487
211 HG3 LYS 24 3HG LYS 24 -5.766 24.698 1.009
212 HD2 LYS 24 2HD LYS 24 -3.485 23.851 0.252
213 HD3 LYS 24 3HD LYS 24 -4.230 23.584 -1.325
214 HE2 LYS 24 2HE LYS 24 -4.298 26.230 0.110
215 HE3 LYS 24 3HE LYS 24 -3.031 25.784 -1.032
216 HZ1 LYS 24 1HZ LYS 24 -5.873 25.631 -1.806
217 HZ2 LYS 24 2HZ LYS 24 -4.509 25.779 -2.795
218 HZ3 LYS 24 3HZ LYS 24 -5.040 27.101 -1.883
219 H ASN 25 H ASN 25 -7.338 22.076 3.684
220 HA ASN 25 HA ASN 25 -8.163 24.803 4.085
221 HB2 ASN 25 2HB ASN 25 -9.286 22.187 5.106
222 HB3 ASN 25 3HB ASN 25 -10.032 23.758 5.383
223 HD21 ASN 25 1HD2 ASN 25 -10.129 21.093 3.505
224 HD22 ASN 25 2HD2 ASN 25 -10.860 21.754 2.085
225 H LYS 26 H LYS 26 -6.054 22.717 5.661
226 HA LYS 26 HA LYS 26 -6.480 23.884 8.302
227 HB2 LYS 26 2HB LYS 26 -4.353 21.889 7.540
228 HB3 LYS 26 3HB LYS 26 -5.003 22.223 9.140
229 HG2 LYS 26 2HG LYS 26 -6.569 20.994 6.881
230 HG3 LYS 26 3HG LYS 26 -5.788 20.088 8.179
231 HD2 LYS 26 2HD LYS 26 -7.194 21.105 9.827
232 HD3 LYS 26 3HD LYS 26 -7.853 22.236 8.642
233 HE2 LYS 26 2HE LYS 26 -8.605 20.095 7.390
234 HE3 LYS 26 3HE LYS 26 -8.356 19.299 8.943
235 HZ1 LYS 26 1HZ LYS 26 -9.802 21.399 9.692
236 HZ2 LYS 26 2HZ LYS 26 -10.481 19.912 9.259
237 HZ3 LYS 26 3HZ LYS 26 -10.419 21.173 8.133
238 H HIS 27 H HIS 27 -4.252 23.990 5.617
239 HA HIS 27 HA HIS 27 -2.887 26.242 6.895
240 HB2 HIS 27 2HB HIS 27 -1.416 23.983 5.524
241 HB3 HIS 27 3HB HIS 27 -0.690 25.417 6.244
242 HD1 HIS 27 HD1 HIS 27 -2.469 22.234 7.209
243 HD2 HIS 27 HD2 HIS 27 -0.214 25.259 8.950
244 HE1 HIS 27 HE1 HIS 27 -1.987 21.451 9.550
245 H GLY 28 H GLY 28 -3.269 24.330 3.923
246 HA2 GLY 28 2HA GLY 28 -4.030 25.287 1.879
247 HA3 GLY 28 3HA GLY 28 -3.439 26.849 2.426
248 H TYR 29 H TYR 29 -1.492 23.977 2.723
249 HA TYR 29 HA TYR 29 0.165 24.898 0.468
250 HB2 TYR 29 2HB TYR 29 1.000 24.080 3.240
251 HB3 TYR 29 3HB TYR 29 2.118 23.974 1.884
252 HD1 TYR 29 HD1 TYR 29 -0.182 26.414 3.531
253 HD2 TYR 29 HD2 TYR 29 3.444 25.805 1.391
254 HE1 TYR 29 HE1 TYR 29 0.378 28.791 3.817
255 HE2 TYR 29 HE2 TYR 29 4.016 28.180 1.672
256 HH TYR 29 HH TYR 29 1.749 30.488 2.854
257 H TYR 30 H TYR 30 2.010 22.966 0.308
258 HA TYR 30 HA TYR 30 0.688 20.370 0.353
259 HB2 TYR 30 2HB TYR 30 1.964 21.223 -2.223
260 HB3 TYR 30 3HB TYR 30 0.785 19.948 -1.936
261 HD1 TYR 30 HD1 TYR 30 1.226 23.606 -2.221
262 HD2 TYR 30 HD2 TYR 30 -1.549 20.386 -2.042
263 HE1 TYR 30 HE1 TYR 30 -0.580 25.133 -2.897
264 HE2 TYR 30 HE2 TYR 30 -3.363 21.904 -2.719
265 HH TYR 30 HH TYR 30 -3.718 23.989 -3.782
266 HA PRO 31 HA PRO 31 5.391 19.803 -0.610
267 HB2 PRO 31 2HB PRO 31 6.893 22.052 -0.839
268 HB3 PRO 31 3HB PRO 31 6.079 21.297 -2.214
269 HG2 PRO 31 2HG PRO 31 5.232 23.652 -0.570
270 HG3 PRO 31 3HG PRO 31 5.171 23.435 -2.329
271 HD2 PRO 31 2HD PRO 31 2.996 23.126 -0.747
272 HD3 PRO 31 3HD PRO 31 3.236 22.188 -2.235
273 H TRP 32 H TRP 32 7.605 20.798 0.525
274 HA TRP 32 HA TRP 32 6.978 20.665 3.341
275 HB2 TRP 32 2HB TRP 32 9.243 20.223 3.692
276 HB3 TRP 32 3HB TRP 32 8.954 19.531 2.098
277 HD1 TRP 32 HD1 TRP 32 10.958 22.196 3.873
278 HE1 TRP 32 HE1 TRP 32 12.556 23.319 2.197
279 HE3 TRP 32 HE3 TRP 32 9.122 20.199 -0.461
280 HZ2 TRP 32 HZ2 TRP 32 12.982 23.354 -0.594
281 HZ3 TRP 32 HZ3 TRP 32 10.181 20.829 -2.591
282 HH2 TRP 32 HH2 TRP 32 12.071 22.374 -2.654
283 H GLU 33 H GLU 33 6.845 23.128 1.267
284 HA GLU 33 HA GLU 33 8.254 25.119 2.837
285 HB2 GLU 33 2HB GLU 33 6.402 25.620 0.511
286 HB3 GLU 33 3HB GLU 33 7.665 26.675 1.130
287 HG2 GLU 33 2HG GLU 33 9.374 25.191 0.341
288 HG3 GLU 33 3HG GLU 33 8.171 23.993 -0.134
289 H ILE 34 H ILE 34 6.415 23.911 4.427
290 HA ILE 34 HA ILE 34 4.051 25.630 4.497
291 HB ILE 34 HB ILE 34 4.741 23.238 6.208
292 HG12 ILE 34 2HG1 ILE 34 2.534 23.238 4.203
293 HG13 ILE 34 3HG1 ILE 34 4.183 23.081 3.609
294 HG21 ILE 34 1HG2 ILE 34 2.456 23.329 6.979
295 HG22 ILE 34 2HG2 ILE 34 3.245 24.874 7.294
296 HG23 ILE 34 3HG2 ILE 34 2.127 24.715 5.939
297 HD11 ILE 34 1HD1 ILE 34 2.987 20.930 4.003
298 HD12 ILE 34 2HD1 ILE 34 4.522 21.089 4.856
299 HD13 ILE 34 3HD1 ILE 34 3.003 21.305 5.725
300 HA PRO 35 HA PRO 35 5.868 28.249 7.564
301 HB2 PRO 35 2HB PRO 35 3.591 29.505 8.341
302 HB3 PRO 35 3HB PRO 35 4.410 29.860 6.816
303 HG2 PRO 35 2HG PRO 35 2.025 28.124 7.326
304 HG3 PRO 35 3HG PRO 35 2.300 29.292 6.020
305 HD2 PRO 35 2HD PRO 35 2.612 26.624 5.678
306 HD3 PRO 35 3HD PRO 35 3.592 27.819 4.805
307 H ARG 36 H ARG 36 4.926 29.046 9.885
308 HA ARG 36 HA ARG 36 3.686 26.899 11.370
309 HB2 ARG 36 2HB ARG 36 5.622 26.799 12.998
310 HB3 ARG 36 3HB ARG 36 5.892 26.032 11.439
311 HG2 ARG 36 2HG ARG 36 6.715 28.784 11.357
312 HG3 ARG 36 3HG ARG 36 7.492 27.938 12.697
313 HD2 ARG 36 2HD ARG 36 7.434 26.940 9.853
314 HD3 ARG 36 3HD ARG 36 8.768 27.850 10.561
315 HE ARG 36 HE ARG 36 8.251 25.652 12.203
316 HH11 ARG 36 1HH1 ARG 36 9.410 26.329 8.991
317 HH12 ARG 36 2HH1 ARG 36 10.400 24.910 8.908
318 HH21 ARG 36 1HH2 ARG 36 9.551 23.780 12.106
319 HH22 ARG 36 2HH2 ARG 36 10.479 23.460 10.680
320 H CYS 37 H CYS 37 3.657 27.498 13.789
321 HA CYS 37 HA CYS 37 3.065 30.371 13.966
322 HB2 CYS 37 2HB CYS 37 1.899 27.937 15.233
323 HB3 CYS 37 3HB CYS 37 1.874 29.435 16.156
324 HG CYS 37 HG CYS 37 -0.026 30.633 14.854
Start of MODEL 9
1 H MET 1 H MET 1 3.338 0.515 1.542
2 HA MET 1 HA MET 1 4.033 -1.025 -0.725
3 HB2 MET 1 2HB MET 1 1.113 -0.587 -0.183
4 HB3 MET 1 3HB MET 1 1.706 -0.685 -1.835
5 HG2 MET 1 2HG MET 1 2.350 -2.904 -1.606
6 HG3 MET 1 3HG MET 1 2.355 -2.820 0.154
7 HE1 MET 1 1HE MET 1 0.026 -4.772 1.017
8 HE2 MET 1 2HE MET 1 0.893 -3.331 1.547
9 HE3 MET 1 3HE MET 1 -0.867 -3.309 1.432
10 H LYS 2 H LYS 2 5.108 0.443 -1.853
11 HA LYS 2 HA LYS 2 3.841 2.884 -2.696
12 HB2 LYS 2 2HB LYS 2 5.957 2.873 -0.600
13 HB3 LYS 2 3HB LYS 2 6.031 4.130 -1.827
14 HG2 LYS 2 2HG LYS 2 3.464 4.368 -1.171
15 HG3 LYS 2 3HG LYS 2 4.074 3.713 0.351
16 HD2 LYS 2 2HD LYS 2 5.638 5.507 0.576
17 HD3 LYS 2 3HD LYS 2 5.284 6.091 -1.052
18 HE2 LYS 2 2HE LYS 2 3.617 7.340 -0.282
19 HE3 LYS 2 3HE LYS 2 2.855 5.929 0.451
20 HZ1 LYS 2 1HZ LYS 2 5.133 6.973 1.896
21 HZ2 LYS 2 2HZ LYS 2 3.628 6.460 2.471
22 HZ3 LYS 2 3HZ LYS 2 3.803 8.016 1.830
23 H PHE 3 H PHE 3 4.303 1.385 -4.573
24 HA PHE 3 HA PHE 3 7.059 1.320 -5.467
25 HB2 PHE 3 2HB PHE 3 4.475 0.188 -6.475
26 HB3 PHE 3 3HB PHE 3 5.855 0.301 -7.563
27 HD1 PHE 3 HD1 PHE 3 5.393 -0.683 -3.990
28 HD2 PHE 3 HD2 PHE 3 6.917 -1.706 -7.830
29 HE1 PHE 3 HE1 PHE 3 6.281 -2.787 -3.073
30 HE2 PHE 3 HE2 PHE 3 7.807 -3.811 -6.919
31 HZ PHE 3 HZ PHE 3 7.488 -4.355 -4.539
32 H LYS 4 H LYS 4 7.552 2.001 -7.742
33 HA LYS 4 HA LYS 4 6.224 4.566 -8.326
34 HB2 LYS 4 2HB LYS 4 9.055 3.830 -9.067
35 HB3 LYS 4 3HB LYS 4 8.307 5.420 -9.129
36 HG2 LYS 4 2HG LYS 4 9.320 5.751 -7.170
37 HG3 LYS 4 3HG LYS 4 8.010 4.777 -6.500
38 HD2 LYS 4 2HD LYS 4 9.812 3.655 -5.646
39 HD3 LYS 4 3HD LYS 4 9.611 2.788 -7.171
40 HE2 LYS 4 2HE LYS 4 11.613 3.446 -7.893
41 HE3 LYS 4 3HE LYS 4 11.265 5.131 -7.509
42 HZ1 LYS 4 1HZ LYS 4 12.113 4.900 -5.375
43 HZ2 LYS 4 2HZ LYS 4 13.196 4.003 -6.313
44 HZ3 LYS 4 3HZ LYS 4 12.015 3.211 -5.395
45 H PHE 5 H PHE 5 7.334 1.528 -9.594
46 HA PHE 5 HA PHE 5 6.780 2.291 -12.344
47 HB2 PHE 5 2HB PHE 5 7.615 -0.382 -11.198
48 HB3 PHE 5 3HB PHE 5 7.542 0.030 -12.908
49 HD1 PHE 5 HD1 PHE 5 9.094 1.785 -13.802
50 HD2 PHE 5 HD2 PHE 5 9.501 0.130 -9.901
51 HE1 PHE 5 HE1 PHE 5 11.419 2.583 -13.710
52 HE2 PHE 5 HE2 PHE 5 11.827 0.927 -9.803
53 HZ PHE 5 HZ PHE 5 12.789 2.156 -11.708
54 H ASN 6 H ASN 6 5.353 0.421 -9.752
55 HA ASN 6 HA ASN 6 3.470 -1.074 -11.111
56 HB2 ASN 6 2HB ASN 6 3.743 -0.001 -8.383
57 HB3 ASN 6 3HB ASN 6 2.086 -0.345 -8.869
58 HD21 ASN 6 1HD2 ASN 6 1.705 -2.121 -7.675
59 HD22 ASN 6 2HD2 ASN 6 2.577 -3.605 -7.827
60 HA PRO 7 HA PRO 7 0.459 1.642 -12.788
61 HB2 PRO 7 2HB PRO 7 -1.864 0.335 -12.272
62 HB3 PRO 7 3HB PRO 7 -0.698 -0.218 -13.480
63 HG2 PRO 7 2HG PRO 7 -1.111 -1.168 -10.671
64 HG3 PRO 7 3HG PRO 7 -0.828 -2.117 -12.143
65 HD2 PRO 7 2HD PRO 7 1.133 -1.586 -10.353
66 HD3 PRO 7 3HD PRO 7 1.447 -1.751 -12.093
67 H THR 8 H THR 8 -0.123 0.572 -9.476
68 HA THR 8 HA THR 8 -2.138 2.372 -8.772
69 HB THR 8 HB THR 8 -1.276 0.404 -7.404
70 HG1 THR 8 HG1 THR 8 -2.704 1.486 -6.238
71 HG21 THR 8 1HG2 THR 8 1.106 1.096 -7.438
72 HG22 THR 8 2HG2 THR 8 0.490 0.834 -5.806
73 HG23 THR 8 3HG2 THR 8 0.690 2.474 -6.420
74 H GLY 9 H GLY 9 1.185 2.913 -9.414
75 HA2 GLY 9 2HA GLY 9 1.845 5.067 -7.817
76 HA3 GLY 9 3HA GLY 9 2.421 4.850 -9.463
77 H THR 10 H THR 10 -0.023 5.082 -10.825
78 HA THR 10 HA THR 10 -0.270 7.935 -10.887
79 HB THR 10 HB THR 10 -1.892 5.859 -12.372
80 HG1 THR 10 HG1 THR 10 0.573 7.143 -12.915
81 HG21 THR 10 1HG2 THR 10 -2.311 8.605 -12.127
82 HG22 THR 10 2HG2 THR 10 -3.000 7.535 -13.348
83 HG23 THR 10 3HG2 THR 10 -1.506 8.408 -13.683
84 H ILE 11 H ILE 11 -2.531 5.279 -10.160
85 HA ILE 11 HA ILE 11 -4.765 6.796 -9.536
86 HB ILE 11 HB ILE 11 -3.894 4.191 -8.279
87 HG12 ILE 11 2HG1 ILE 11 -5.959 3.675 -10.030
88 HG13 ILE 11 3HG1 ILE 11 -5.045 4.921 -10.873
89 HG21 ILE 11 1HG2 ILE 11 -6.273 3.891 -7.739
90 HG22 ILE 11 2HG2 ILE 11 -5.574 5.283 -6.915
91 HG23 ILE 11 3HG2 ILE 11 -6.600 5.520 -8.329
92 HD11 ILE 11 1HD1 ILE 11 -4.016 3.043 -11.649
93 HD12 ILE 11 2HD1 ILE 11 -3.009 3.392 -10.244
94 HD13 ILE 11 3HD1 ILE 11 -4.260 2.153 -10.146
95 H VAL 12 H VAL 12 -2.320 5.533 -7.264
96 HA VAL 12 HA VAL 12 -3.295 6.683 -4.941
97 HB VAL 12 HB VAL 12 -0.418 6.178 -5.709
98 HG11 VAL 12 1HG1 VAL 12 -0.497 7.758 -3.882
99 HG12 VAL 12 2HG1 VAL 12 -1.638 6.735 -3.007
100 HG13 VAL 12 3HG1 VAL 12 0.016 6.183 -3.278
101 HG21 VAL 12 1HG2 VAL 12 -0.648 4.044 -4.920
102 HG22 VAL 12 2HG2 VAL 12 -1.961 4.471 -3.822
103 HG23 VAL 12 3HG2 VAL 12 -2.274 4.306 -5.550
104 H LYS 13 H LYS 13 -1.462 8.122 -7.542
105 HA LYS 13 HA LYS 13 -0.810 10.524 -6.114
106 HB2 LYS 13 2HB LYS 13 0.565 10.856 -7.843
107 HB3 LYS 13 3HB LYS 13 0.002 9.328 -8.507
108 HG2 LYS 13 2HG LYS 13 -1.753 10.506 -9.733
109 HG3 LYS 13 3HG LYS 13 -1.183 12.039 -9.069
110 HD2 LYS 13 2HD LYS 13 0.643 10.221 -10.609
111 HD3 LYS 13 3HD LYS 13 -0.408 11.379 -11.428
112 HE2 LYS 13 2HE LYS 13 1.476 12.181 -9.225
113 HE3 LYS 13 3HE LYS 13 1.968 12.135 -10.918
114 HZ1 LYS 13 1HZ LYS 13 -0.315 13.547 -11.031
115 HZ2 LYS 13 2HZ LYS 13 1.229 14.230 -10.941
116 HZ3 LYS 13 3HZ LYS 13 0.304 14.045 -9.537
117 H LYS 14 H LYS 14 -3.381 9.466 -8.250
118 HA LYS 14 HA LYS 14 -4.516 12.084 -8.574
119 HB2 LYS 14 2HB LYS 14 -5.612 9.329 -9.162
120 HB3 LYS 14 3HB LYS 14 -6.437 10.827 -9.571
121 HG2 LYS 14 2HG LYS 14 -3.788 9.876 -10.637
122 HG3 LYS 14 3HG LYS 14 -5.316 9.978 -11.515
123 HD2 LYS 14 2HD LYS 14 -5.304 12.429 -11.164
124 HD3 LYS 14 3HD LYS 14 -3.722 12.283 -10.395
125 HE2 LYS 14 2HE LYS 14 -3.421 10.929 -12.786
126 HE3 LYS 14 3HE LYS 14 -4.435 12.307 -13.214
127 HZ1 LYS 14 1HZ LYS 14 -1.735 12.348 -12.985
128 HZ2 LYS 14 2HZ LYS 14 -2.233 13.006 -11.509
129 HZ3 LYS 14 3HZ LYS 14 -2.739 13.709 -12.962
130 H LEU 15 H LEU 15 -5.401 9.177 -6.724
131 HA LEU 15 HA LEU 15 -7.703 10.166 -5.512
132 HB2 LEU 15 2HB LEU 15 -5.703 8.076 -4.790
133 HB3 LEU 15 3HB LEU 15 -6.926 8.536 -3.607
134 HG LEU 15 HG LEU 15 -7.383 6.493 -5.076
135 HD11 LEU 15 1HD1 LEU 15 -9.018 7.972 -3.702
136 HD12 LEU 15 2HD1 LEU 15 -9.658 6.812 -4.866
137 HD13 LEU 15 3HD1 LEU 15 -9.565 8.522 -5.286
138 HD21 LEU 15 1HD2 LEU 15 -8.353 6.946 -7.259
139 HD22 LEU 15 2HD2 LEU 15 -6.680 7.503 -7.197
140 HD23 LEU 15 3HD2 LEU 15 -8.003 8.665 -7.076
141 H THR 16 H THR 16 -4.332 10.667 -4.734
142 HA THR 16 HA THR 16 -4.797 11.821 -2.158
143 HB THR 16 HB THR 16 -2.374 12.000 -3.961
144 HG1 THR 16 HG1 THR 16 -1.588 10.394 -2.461
145 HG21 THR 16 1HG2 THR 16 -1.659 13.573 -2.542
146 HG22 THR 16 2HG2 THR 16 -1.583 12.308 -1.315
147 HG23 THR 16 3HG2 THR 16 -3.025 13.313 -1.458
148 H GLN 17 H GLN 17 -4.677 13.013 -5.430
149 HA GLN 17 HA GLN 17 -4.193 15.713 -5.015
150 HB2 GLN 17 2HB GLN 17 -4.628 14.279 -7.202
151 HB3 GLN 17 3HB GLN 17 -6.256 14.919 -7.017
152 HG2 GLN 17 2HG GLN 17 -5.658 16.973 -7.667
153 HG3 GLN 17 3HG GLN 17 -4.137 16.922 -6.777
154 HE21 GLN 17 1HE2 GLN 17 -5.703 15.534 -9.636
155 HE22 GLN 17 2HE2 GLN 17 -4.286 15.531 -10.625
156 H TYR 18 H TYR 18 -7.003 13.828 -4.290
157 HA TYR 18 HA TYR 18 -8.630 16.213 -3.836
158 HB2 TYR 18 2HB TYR 18 -9.339 13.278 -3.656
159 HB3 TYR 18 3HB TYR 18 -10.469 14.609 -3.428
160 HD1 TYR 18 HD1 TYR 18 -11.604 15.511 -5.259
161 HD2 TYR 18 HD2 TYR 18 -8.153 13.115 -5.930
162 HE1 TYR 18 HE1 TYR 18 -12.059 15.544 -7.676
163 HE2 TYR 18 HE2 TYR 18 -8.598 13.142 -8.349
164 HH TYR 18 HH TYR 18 -10.938 13.501 -9.784
165 H GLU 19 H GLU 19 -6.885 13.742 -2.125
166 HA GLU 19 HA GLU 19 -8.105 14.179 0.420
167 HB2 GLU 19 2HB GLU 19 -5.449 12.918 -0.287
168 HB3 GLU 19 3HB GLU 19 -6.205 12.861 1.299
169 HG2 GLU 19 2HG GLU 19 -7.536 11.786 -1.167
170 HG3 GLU 19 3HG GLU 19 -6.466 10.816 -0.157
171 H ILE 20 H ILE 20 -5.265 15.442 -1.231
172 HA ILE 20 HA ILE 20 -3.976 16.718 0.858
173 HB ILE 20 HB ILE 20 -4.255 17.721 -1.977
174 HG12 ILE 20 2HG1 ILE 20 -1.786 16.372 -1.067
175 HG13 ILE 20 3HG1 ILE 20 -3.203 15.338 -1.217
176 HG21 ILE 20 1HG2 ILE 20 -1.763 18.414 -0.885
177 HG22 ILE 20 2HG2 ILE 20 -3.093 19.490 -1.312
178 HG23 ILE 20 3HG2 ILE 20 -2.972 18.843 0.325
179 HD11 ILE 20 1HD1 ILE 20 -3.223 16.808 -3.548
180 HD12 ILE 20 2HD1 ILE 20 -1.513 16.480 -3.266
181 HD13 ILE 20 3HD1 ILE 20 -2.663 15.147 -3.357
182 H ALA 21 H ALA 21 -6.858 17.661 -0.887
183 HA ALA 21 HA ALA 21 -7.072 20.337 -0.260
184 HB1 ALA 21 1HB ALA 21 -9.657 19.254 0.033
185 HB2 ALA 21 2HB ALA 21 -8.952 20.019 -1.392
186 HB3 ALA 21 3HB ALA 21 -8.823 18.274 -1.173
187 H TRP 22 H TRP 22 -8.032 17.549 1.717
188 HA TRP 22 HA TRP 22 -9.237 18.854 3.828
189 HB2 TRP 22 2HB TRP 22 -9.238 16.437 3.672
190 HB3 TRP 22 3HB TRP 22 -7.490 16.386 3.876
191 HD1 TRP 22 HD1 TRP 22 -6.530 16.861 6.353
192 HE1 TRP 22 HE1 TRP 22 -7.633 16.638 8.669
193 HE3 TRP 22 HE3 TRP 22 -11.431 16.692 4.906
194 HZ2 TRP 22 HZ2 TRP 22 -10.235 16.419 9.740
195 HZ3 TRP 22 HZ3 TRP 22 -13.165 16.475 6.638
196 HH2 TRP 22 HH2 TRP 22 -12.577 16.340 9.004
197 H PHE 23 H PHE 23 -5.786 18.223 3.317
198 HA PHE 23 HA PHE 23 -5.001 19.476 5.772
199 HB2 PHE 23 2HB PHE 23 -3.489 17.845 5.048
200 HB3 PHE 23 3HB PHE 23 -3.531 18.409 3.381
201 HD1 PHE 23 HD1 PHE 23 -1.996 20.006 2.598
202 HD2 PHE 23 HD2 PHE 23 -2.292 19.212 6.769
203 HE1 PHE 23 HE1 PHE 23 0.047 21.320 2.990
204 HE2 PHE 23 HE2 PHE 23 -0.251 20.525 7.168
205 HZ PHE 23 HZ PHE 23 0.921 21.582 5.277
206 H LYS 24 H LYS 24 -5.462 20.487 2.473
207 HA LYS 24 HA LYS 24 -3.973 22.867 2.502
208 HB2 LYS 24 2HB LYS 24 -4.852 21.871 0.443
209 HB3 LYS 24 3HB LYS 24 -6.496 22.211 0.968
210 HG2 LYS 24 2HG LYS 24 -6.185 23.992 -0.395
211 HG3 LYS 24 3HG LYS 24 -5.541 24.681 1.097
212 HD2 LYS 24 2HD LYS 24 -3.272 23.818 0.325
213 HD3 LYS 24 3HD LYS 24 -4.029 23.556 -1.247
214 HE2 LYS 24 2HE LYS 24 -4.068 26.203 0.187
215 HE3 LYS 24 3HE LYS 24 -2.812 25.747 -0.963
216 HZ1 LYS 24 1HZ LYS 24 -5.498 25.370 -1.939
217 HZ2 LYS 24 2HZ LYS 24 -4.166 26.091 -2.689
218 HZ3 LYS 24 3HZ LYS 24 -5.113 26.984 -1.609
219 H ASN 25 H ASN 25 -7.115 22.072 3.783
220 HA ASN 25 HA ASN 25 -7.916 24.806 4.189
221 HB2 ASN 25 2HB ASN 25 -9.048 22.183 5.175
222 HB3 ASN 25 3HB ASN 25 -9.769 23.749 5.533
223 HD21 ASN 25 1HD2 ASN 25 -10.049 21.169 3.613
224 HD22 ASN 25 2HD2 ASN 25 -10.768 21.891 2.218
225 H LYS 26 H LYS 26 -5.812 22.704 5.750
226 HA LYS 26 HA LYS 26 -6.212 23.874 8.394
227 HB2 LYS 26 2HB LYS 26 -4.105 21.864 7.619
228 HB3 LYS 26 3HB LYS 26 -4.742 22.202 9.222
229 HG2 LYS 26 2HG LYS 26 -6.331 20.984 6.974
230 HG3 LYS 26 3HG LYS 26 -5.548 20.073 8.267
231 HD2 LYS 26 2HD LYS 26 -6.968 20.979 9.909
232 HD3 LYS 26 3HD LYS 26 -7.520 22.269 8.837
233 HE2 LYS 26 2HE LYS 26 -9.154 20.996 8.017
234 HE3 LYS 26 3HE LYS 26 -8.048 19.657 7.713
235 HZ1 LYS 26 1HZ LYS 26 -9.424 20.276 10.269
236 HZ2 LYS 26 2HZ LYS 26 -8.252 19.070 10.087
237 HZ3 LYS 26 3HZ LYS 26 -9.719 18.957 9.252
238 H HIS 27 H HIS 27 -4.001 23.963 5.694
239 HA HIS 27 HA HIS 27 -2.612 26.206 6.963
240 HB2 HIS 27 2HB HIS 27 -1.166 23.936 5.583
241 HB3 HIS 27 3HB HIS 27 -0.425 25.365 6.298
242 HD1 HIS 27 HD1 HIS 27 -2.221 22.195 7.276
243 HD2 HIS 27 HD2 HIS 27 0.067 25.204 9.001
244 HE1 HIS 27 HE1 HIS 27 -1.729 21.409 9.614
245 H GLY 28 H GLY 28 -3.027 24.295 3.994
246 HA2 GLY 28 2HA GLY 28 -3.794 25.258 1.955
247 HA3 GLY 28 3HA GLY 28 -3.188 26.816 2.497
248 H TYR 29 H TYR 29 -1.261 23.929 2.783
249 HA TYR 29 HA TYR 29 0.388 24.836 0.517
250 HB2 TYR 29 2HB TYR 29 1.235 24.012 3.283
251 HB3 TYR 29 3HB TYR 29 2.343 23.897 1.920
252 HD1 TYR 29 HD1 TYR 29 0.072 26.356 3.579
253 HD2 TYR 29 HD2 TYR 29 3.682 25.717 1.419
254 HE1 TYR 29 HE1 TYR 29 0.653 28.729 3.860
255 HE2 TYR 29 HE2 TYR 29 4.273 28.088 1.695
256 HH TYR 29 HH TYR 29 2.591 30.166 3.835
257 H TYR 30 H TYR 30 2.217 22.890 0.344
258 HA TYR 30 HA TYR 30 0.876 20.305 0.399
259 HB2 TYR 30 2HB TYR 30 2.141 21.148 -2.187
260 HB3 TYR 30 3HB TYR 30 0.955 19.881 -1.891
261 HD1 TYR 30 HD1 TYR 30 1.421 23.536 -2.179
262 HD2 TYR 30 HD2 TYR 30 -1.377 20.336 -1.982
263 HE1 TYR 30 HE1 TYR 30 -0.378 25.076 -2.843
264 HE2 TYR 30 HE2 TYR 30 -3.183 21.867 -2.647
265 HH TYR 30 HH TYR 30 -2.728 24.754 -4.042
266 HA PRO 31 HA PRO 31 5.567 19.701 -0.596
267 HB2 PRO 31 2HB PRO 31 7.086 21.939 -0.835
268 HB3 PRO 31 3HB PRO 31 6.256 21.190 -2.204
269 HG2 PRO 31 2HG PRO 31 5.439 23.551 -0.555
270 HG3 PRO 31 3HG PRO 31 5.365 23.335 -2.314
271 HD2 PRO 31 2HD PRO 31 3.197 23.043 -0.717
272 HD3 PRO 31 3HD PRO 31 3.420 22.102 -2.206
273 H TRP 32 H TRP 32 7.797 20.679 0.525
274 HA TRP 32 HA TRP 32 7.188 20.551 3.345
275 HB2 TRP 32 2HB TRP 32 9.451 20.090 3.681
276 HB3 TRP 32 3HB TRP 32 9.146 19.402 2.088
277 HD1 TRP 32 HD1 TRP 32 11.182 22.050 3.851
278 HE1 TRP 32 HE1 TRP 32 12.778 23.161 2.166
279 HE3 TRP 32 HE3 TRP 32 9.304 20.070 -0.472
280 HZ2 TRP 32 HZ2 TRP 32 13.187 23.194 -0.627
281 HZ3 TRP 32 HZ3 TRP 32 10.354 20.692 -2.608
282 HH2 TRP 32 HH2 TRP 32 12.255 22.223 -2.682
283 H GLU 33 H GLU 33 7.060 23.015 1.271
284 HA GLU 33 HA GLU 33 8.495 24.995 2.832
285 HB2 GLU 33 2HB GLU 33 6.632 25.510 0.517
286 HB3 GLU 33 3HB GLU 33 7.907 26.555 1.128
287 HG2 GLU 33 2HG GLU 33 9.599 25.058 0.328
288 HG3 GLU 33 3HG GLU 33 8.384 23.869 -0.138
289 H ILE 34 H ILE 34 6.656 23.801 4.433
290 HA ILE 34 HA ILE 34 4.307 25.538 4.518
291 HB ILE 34 HB ILE 34 4.989 23.142 6.226
292 HG12 ILE 34 2HG1 ILE 34 2.770 23.158 4.235
293 HG13 ILE 34 3HG1 ILE 34 4.414 22.988 3.631
294 HG21 ILE 34 1HG2 ILE 34 3.511 24.791 7.320
295 HG22 ILE 34 2HG2 ILE 34 2.386 24.640 5.972
296 HG23 ILE 34 3HG2 ILE 34 2.709 23.252 7.010
297 HD11 ILE 34 1HD1 ILE 34 4.734 20.966 4.751
298 HD12 ILE 34 2HD1 ILE 34 3.347 21.230 5.808
299 HD13 ILE 34 3HD1 ILE 34 3.098 20.865 4.101
300 HA PRO 35 HA PRO 35 6.164 28.143 7.573
301 HB2 PRO 35 2HB PRO 35 3.901 29.418 8.365
302 HB3 PRO 35 3HB PRO 35 4.714 29.766 6.834
303 HG2 PRO 35 2HG PRO 35 2.318 28.050 7.359
304 HG3 PRO 35 3HG PRO 35 2.595 29.215 6.052
305 HD2 PRO 35 2HD PRO 35 2.883 26.544 5.709
306 HD3 PRO 35 3HD PRO 35 3.867 27.731 4.829
307 H ARG 36 H ARG 36 5.238 28.950 9.899
308 HA ARG 36 HA ARG 36 5.228 26.558 11.499
309 HB2 ARG 36 2HB ARG 36 4.920 29.407 12.451
310 HB3 ARG 36 3HB ARG 36 5.456 28.018 13.388
311 HG2 ARG 36 2HG ARG 36 7.503 28.809 12.963
312 HG3 ARG 36 3HG ARG 36 7.289 28.036 11.391
313 HD2 ARG 36 2HD ARG 36 7.737 30.071 10.562
314 HD3 ARG 36 3HD ARG 36 6.066 30.434 10.991
315 HE ARG 36 HE ARG 36 7.548 30.960 13.250
316 HH11 ARG 36 1HH1 ARG 36 7.476 32.084 9.955
317 HH12 ARG 36 2HH1 ARG 36 8.048 33.672 10.347
318 HH21 ARG 36 1HH2 ARG 36 8.301 33.047 13.778
319 HH22 ARG 36 2HH2 ARG 36 8.518 34.218 12.522
320 H CYS 37 H CYS 37 3.665 26.148 13.207
321 HA CYS 37 HA CYS 37 1.038 26.034 12.286
322 HB2 CYS 37 2HB CYS 37 2.334 25.632 14.952
323 HB3 CYS 37 3HB CYS 37 0.577 25.682 14.859
324 HG CYS 37 HG CYS 37 1.267 23.016 14.920
Start of MODEL 10
1 H MET 1 H MET 1 3.816 -1.008 -2.196
2 HA MET 1 HA MET 1 4.177 -0.109 0.297
3 HB2 MET 1 2HB MET 1 6.868 -1.040 -0.718
4 HB3 MET 1 3HB MET 1 6.614 -0.052 0.714
5 HG2 MET 1 2HG MET 1 5.332 -1.865 1.736
6 HG3 MET 1 3HG MET 1 5.599 -2.855 0.303
7 HE1 MET 1 1HE MET 1 7.921 -3.042 3.946
8 HE2 MET 1 2HE MET 1 7.516 -1.358 3.611
9 HE3 MET 1 3HE MET 1 6.251 -2.588 3.601
10 H LYS 2 H LYS 2 3.197 1.115 -1.772
11 HA LYS 2 HA LYS 2 3.207 3.016 -3.022
12 HB2 LYS 2 2HB LYS 2 5.576 3.778 -1.306
13 HB3 LYS 2 3HB LYS 2 4.550 4.875 -2.220
14 HG2 LYS 2 2HG LYS 2 3.327 5.125 -0.393
15 HG3 LYS 2 3HG LYS 2 2.802 3.450 -0.584
16 HD2 LYS 2 2HD LYS 2 4.952 2.835 0.669
17 HD3 LYS 2 3HD LYS 2 5.026 4.541 1.116
18 HE2 LYS 2 2HE LYS 2 3.913 3.515 2.901
19 HE3 LYS 2 3HE LYS 2 2.627 4.246 1.941
20 HZ1 LYS 2 1HZ LYS 2 2.299 2.048 0.888
21 HZ2 LYS 2 2HZ LYS 2 1.978 2.046 2.549
22 HZ3 LYS 2 3HZ LYS 2 3.422 1.386 1.966
23 H PHE 3 H PHE 3 4.069 1.289 -4.622
24 HA PHE 3 HA PHE 3 6.793 1.448 -5.428
25 HB2 PHE 3 2HB PHE 3 4.303 0.256 -6.584
26 HB3 PHE 3 3HB PHE 3 5.733 0.407 -7.600
27 HD1 PHE 3 HD1 PHE 3 5.142 -0.575 -4.046
28 HD2 PHE 3 HD2 PHE 3 6.836 -1.585 -7.818
29 HE1 PHE 3 HE1 PHE 3 6.039 -2.654 -3.083
30 HE2 PHE 3 HE2 PHE 3 7.735 -3.666 -6.861
31 HZ PHE 3 HZ PHE 3 7.336 -4.203 -4.491
32 H LYS 4 H LYS 4 7.316 2.030 -7.787
33 HA LYS 4 HA LYS 4 6.076 4.633 -8.400
34 HB2 LYS 4 2HB LYS 4 8.893 3.817 -9.108
35 HB3 LYS 4 3HB LYS 4 8.188 5.426 -9.183
36 HG2 LYS 4 2HG LYS 4 9.267 5.697 -7.234
37 HG3 LYS 4 3HG LYS 4 7.846 4.889 -6.569
38 HD2 LYS 4 2HD LYS 4 9.225 2.718 -7.110
39 HD3 LYS 4 3HD LYS 4 10.595 3.829 -7.036
40 HE2 LYS 4 2HE LYS 4 9.358 4.568 -4.798
41 HE3 LYS 4 3HE LYS 4 8.763 2.911 -4.889
42 HZ1 LYS 4 1HZ LYS 4 11.162 2.249 -5.164
43 HZ2 LYS 4 2HZ LYS 4 10.732 2.833 -3.636
44 HZ3 LYS 4 3HZ LYS 4 11.573 3.827 -4.715
45 H PHE 5 H PHE 5 7.159 1.565 -9.638
46 HA PHE 5 HA PHE 5 6.621 2.316 -12.395
47 HB2 PHE 5 2HB PHE 5 7.494 -0.314 -11.181
48 HB3 PHE 5 3HB PHE 5 7.321 -0.011 -12.907
49 HD1 PHE 5 HD1 PHE 5 8.667 2.089 -13.780
50 HD2 PHE 5 HD2 PHE 5 9.574 -0.095 -10.241
51 HE1 PHE 5 HE1 PHE 5 10.983 2.915 -13.869
52 HE2 PHE 5 HE2 PHE 5 11.891 0.728 -10.324
53 HZ PHE 5 HZ PHE 5 12.598 2.235 -12.138
54 H ASN 6 H ASN 6 5.178 0.457 -9.801
55 HA ASN 6 HA ASN 6 3.289 -1.028 -11.164
56 HB2 ASN 6 2HB ASN 6 3.574 0.031 -8.434
57 HB3 ASN 6 3HB ASN 6 1.910 -0.283 -8.919
58 HD21 ASN 6 1HD2 ASN 6 5.098 -1.823 -9.189
59 HD22 ASN 6 2HD2 ASN 6 4.551 -3.412 -8.784
60 HA PRO 7 HA PRO 7 0.295 1.705 -12.841
61 HB2 PRO 7 2HB PRO 7 -2.036 0.409 -12.330
62 HB3 PRO 7 3HB PRO 7 -0.871 -0.149 -13.537
63 HG2 PRO 7 2HG PRO 7 -1.292 -1.099 -10.730
64 HG3 PRO 7 3HG PRO 7 -1.013 -2.047 -12.202
65 HD2 PRO 7 2HD PRO 7 0.949 -1.529 -10.409
66 HD3 PRO 7 3HD PRO 7 1.264 -1.694 -12.149
67 H THR 8 H THR 8 -0.295 0.635 -9.531
68 HA THR 8 HA THR 8 -2.303 2.444 -8.827
69 HB THR 8 HB THR 8 -1.451 0.471 -7.460
70 HG1 THR 8 HG1 THR 8 -2.962 1.995 -6.632
71 HG21 THR 8 1HG2 THR 8 0.934 1.152 -7.491
72 HG22 THR 8 2HG2 THR 8 0.315 0.892 -5.860
73 HG23 THR 8 3HG2 THR 8 0.524 2.532 -6.473
74 H GLY 9 H GLY 9 1.024 2.970 -9.466
75 HA2 GLY 9 2HA GLY 9 1.691 5.120 -7.867
76 HA3 GLY 9 3HA GLY 9 2.269 4.901 -9.512
77 H THR 10 H THR 10 -0.174 5.145 -10.876
78 HA THR 10 HA THR 10 -0.406 8.000 -10.938
79 HB THR 10 HB THR 10 -2.037 5.931 -12.425
80 HG1 THR 10 HG1 THR 10 -0.038 5.656 -13.210
81 HG21 THR 10 1HG2 THR 10 -3.140 7.612 -13.396
82 HG22 THR 10 2HG2 THR 10 -1.642 8.476 -13.739
83 HG23 THR 10 3HG2 THR 10 -2.440 8.680 -12.180
84 H ILE 11 H ILE 11 -2.681 5.355 -10.213
85 HA ILE 11 HA ILE 11 -4.908 6.882 -9.590
86 HB ILE 11 HB ILE 11 -4.051 4.273 -8.333
87 HG12 ILE 11 2HG1 ILE 11 -6.117 3.768 -10.087
88 HG13 ILE 11 3HG1 ILE 11 -5.195 5.009 -10.929
89 HG21 ILE 11 1HG2 ILE 11 -6.432 3.984 -7.796
90 HG22 ILE 11 2HG2 ILE 11 -5.727 5.374 -6.971
91 HG23 ILE 11 3HG2 ILE 11 -6.750 5.615 -8.387
92 HD11 ILE 11 1HD1 ILE 11 -4.178 3.123 -11.703
93 HD12 ILE 11 2HD1 ILE 11 -3.168 3.469 -10.299
94 HD13 ILE 11 3HD1 ILE 11 -4.425 2.237 -10.199
95 H VAL 12 H VAL 12 -2.470 5.607 -7.318
96 HA VAL 12 HA VAL 12 -3.441 6.760 -4.995
97 HB VAL 12 HB VAL 12 -0.565 6.242 -5.761
98 HG11 VAL 12 1HG1 VAL 12 -0.134 6.243 -3.330
99 HG12 VAL 12 2HG1 VAL 12 -0.640 7.822 -3.933
100 HG13 VAL 12 3HG1 VAL 12 -1.784 6.802 -3.060
101 HG21 VAL 12 1HG2 VAL 12 -2.081 4.536 -3.865
102 HG22 VAL 12 2HG2 VAL 12 -2.459 4.388 -5.581
103 HG23 VAL 12 3HG2 VAL 12 -0.814 4.104 -5.013
104 H LYS 13 H LYS 13 -1.598 8.192 -7.593
105 HA LYS 13 HA LYS 13 -0.937 10.590 -6.164
106 HB2 LYS 13 2HB LYS 13 0.441 10.917 -7.891
107 HB3 LYS 13 3HB LYS 13 -0.127 9.391 -8.556
108 HG2 LYS 13 2HG LYS 13 -1.876 10.577 -9.784
109 HG3 LYS 13 3HG LYS 13 -1.300 12.108 -9.119
110 HD2 LYS 13 2HD LYS 13 0.839 10.578 -10.344
111 HD3 LYS 13 3HD LYS 13 -0.471 10.910 -11.480
112 HE2 LYS 13 2HE LYS 13 0.963 12.747 -11.691
113 HE3 LYS 13 3HE LYS 13 -0.335 13.324 -10.648
114 HZ1 LYS 13 1HZ LYS 13 2.286 12.320 -9.680
115 HZ2 LYS 13 2HZ LYS 13 1.056 12.994 -8.735
116 HZ3 LYS 13 3HZ LYS 13 1.886 13.955 -9.853
117 H LYS 14 H LYS 14 -3.510 9.544 -8.303
118 HA LYS 14 HA LYS 14 -4.633 12.167 -8.628
119 HB2 LYS 14 2HB LYS 14 -5.740 9.417 -9.216
120 HB3 LYS 14 3HB LYS 14 -6.560 10.918 -9.625
121 HG2 LYS 14 2HG LYS 14 -3.915 9.957 -10.691
122 HG3 LYS 14 3HG LYS 14 -5.442 10.065 -11.569
123 HD2 LYS 14 2HD LYS 14 -5.421 12.517 -11.217
124 HD3 LYS 14 3HD LYS 14 -3.839 12.364 -10.450
125 HE2 LYS 14 2HE LYS 14 -3.184 11.157 -12.659
126 HE3 LYS 14 3HE LYS 14 -4.608 11.965 -13.314
127 HZ1 LYS 14 1HZ LYS 14 -2.786 13.642 -11.798
128 HZ2 LYS 14 2HZ LYS 14 -3.615 13.967 -13.236
129 HZ3 LYS 14 3HZ LYS 14 -2.187 13.060 -13.270
130 H LEU 15 H LEU 15 -5.533 9.266 -6.776
131 HA LEU 15 HA LEU 15 -7.831 10.267 -5.567
132 HB2 LEU 15 2HB LEU 15 -5.841 8.169 -4.842
133 HB3 LEU 15 3HB LEU 15 -7.062 8.636 -3.660
134 HG LEU 15 HG LEU 15 -7.526 6.593 -5.130
135 HD11 LEU 15 1HD1 LEU 15 -9.783 8.455 -5.468
136 HD12 LEU 15 2HD1 LEU 15 -9.151 8.297 -3.830
137 HD13 LEU 15 3HD1 LEU 15 -9.719 6.870 -4.697
138 HD21 LEU 15 1HD2 LEU 15 -8.496 7.050 -7.311
139 HD22 LEU 15 2HD2 LEU 15 -6.824 7.608 -7.250
140 HD23 LEU 15 3HD2 LEU 15 -8.146 8.769 -7.126
141 H THR 16 H THR 16 -4.458 10.754 -4.787
142 HA THR 16 HA THR 16 -4.917 11.912 -2.213
143 HB THR 16 HB THR 16 -2.495 12.084 -4.017
144 HG1 THR 16 HG1 THR 16 -3.228 9.968 -3.095
145 HG21 THR 16 1HG2 THR 16 -1.692 12.388 -1.379
146 HG22 THR 16 2HG2 THR 16 -3.140 13.387 -1.504
147 HG23 THR 16 3HG2 THR 16 -1.784 13.658 -2.598
148 H GLN 17 H GLN 17 -4.794 13.103 -5.485
149 HA GLN 17 HA GLN 17 -4.301 15.801 -5.071
150 HB2 GLN 17 2HB GLN 17 -4.808 14.320 -7.249
151 HB3 GLN 17 3HB GLN 17 -6.377 15.095 -7.072
152 HG2 GLN 17 2HG GLN 17 -5.021 17.283 -6.911
153 HG3 GLN 17 3HG GLN 17 -3.713 16.334 -7.615
154 HE21 GLN 17 1HE2 GLN 17 -3.556 16.867 -9.672
155 HE22 GLN 17 2HE2 GLN 17 -4.866 16.998 -10.790
156 H TYR 18 H TYR 18 -7.119 13.925 -4.347
157 HA TYR 18 HA TYR 18 -8.737 16.315 -3.893
158 HB2 TYR 18 2HB TYR 18 -9.456 13.382 -3.713
159 HB3 TYR 18 3HB TYR 18 -10.581 14.716 -3.484
160 HD1 TYR 18 HD1 TYR 18 -8.271 13.217 -5.988
161 HD2 TYR 18 HD2 TYR 18 -11.712 15.626 -5.315
162 HE1 TYR 18 HE1 TYR 18 -8.716 13.245 -8.406
163 HE2 TYR 18 HE2 TYR 18 -12.168 15.661 -7.731
164 HH TYR 18 HH TYR 18 -10.083 15.042 -10.004
165 H GLU 19 H GLU 19 -7.000 13.839 -2.181
166 HA GLU 19 HA GLU 19 -8.219 14.280 0.363
167 HB2 GLU 19 2HB GLU 19 -5.566 13.012 -0.341
168 HB3 GLU 19 3HB GLU 19 -6.326 12.955 1.243
169 HG2 GLU 19 2HG GLU 19 -7.663 11.891 -1.224
170 HG3 GLU 19 3HG GLU 19 -6.586 10.914 -0.227
171 H ILE 20 H ILE 20 -5.375 15.534 -1.288
172 HA ILE 20 HA ILE 20 -4.081 16.806 0.801
173 HB ILE 20 HB ILE 20 -4.359 17.810 -2.034
174 HG12 ILE 20 2HG1 ILE 20 -1.894 16.455 -1.126
175 HG13 ILE 20 3HG1 ILE 20 -3.313 15.424 -1.274
176 HG21 ILE 20 1HG2 ILE 20 -3.194 19.577 -1.367
177 HG22 ILE 20 2HG2 ILE 20 -3.072 18.928 0.268
178 HG23 ILE 20 3HG2 ILE 20 -1.865 18.497 -0.943
179 HD11 ILE 20 1HD1 ILE 20 -1.637 16.606 -3.330
180 HD12 ILE 20 2HD1 ILE 20 -2.731 15.225 -3.408
181 HD13 ILE 20 3HD1 ILE 20 -3.360 16.861 -3.607
182 H ALA 21 H ALA 21 -6.962 17.758 -0.943
183 HA ALA 21 HA ALA 21 -7.167 20.434 -0.315
184 HB1 ALA 21 1HB ALA 21 -9.633 20.097 -0.420
185 HB2 ALA 21 2HB ALA 21 -8.753 19.405 -1.784
186 HB3 ALA 21 3HB ALA 21 -9.344 18.359 -0.493
187 H TRP 22 H TRP 22 -8.135 17.649 1.661
188 HA TRP 22 HA TRP 22 -9.336 18.957 3.774
189 HB2 TRP 22 2HB TRP 22 -9.353 16.544 3.628
190 HB3 TRP 22 3HB TRP 22 -7.602 16.480 3.806
191 HD1 TRP 22 HD1 TRP 22 -6.608 17.020 6.276
192 HE1 TRP 22 HE1 TRP 22 -7.676 16.773 8.604
193 HE3 TRP 22 HE3 TRP 22 -11.519 16.709 4.887
194 HZ2 TRP 22 HZ2 TRP 22 -10.259 16.484 9.706
195 HZ3 TRP 22 HZ3 TRP 22 -13.225 16.448 6.640
196 HH2 TRP 22 HH2 TRP 22 -12.607 16.337 8.999
197 H PHE 23 H PHE 23 -5.887 18.315 3.260
198 HA PHE 23 HA PHE 23 -5.097 19.565 5.716
199 HB2 PHE 23 2HB PHE 23 -3.590 17.930 4.991
200 HB3 PHE 23 3HB PHE 23 -3.631 18.495 3.324
201 HD1 PHE 23 HD1 PHE 23 -2.093 20.088 2.540
202 HD2 PHE 23 HD2 PHE 23 -2.388 19.293 6.711
203 HE1 PHE 23 HE1 PHE 23 -0.046 21.396 2.931
204 HE2 PHE 23 HE2 PHE 23 -0.342 20.600 7.109
205 HZ PHE 23 HZ PHE 23 0.831 21.654 5.218
206 H LYS 24 H LYS 24 -5.555 20.579 2.417
207 HA LYS 24 HA LYS 24 -4.060 22.954 2.448
208 HB2 LYS 24 2HB LYS 24 -4.942 21.962 0.387
209 HB3 LYS 24 3HB LYS 24 -6.585 22.307 0.913
210 HG2 LYS 24 2HG LYS 24 -6.268 24.087 -0.449
211 HG3 LYS 24 3HG LYS 24 -5.622 24.774 1.043
212 HD2 LYS 24 2HD LYS 24 -3.356 23.904 0.270
213 HD3 LYS 24 3HD LYS 24 -4.115 23.643 -1.302
214 HE2 LYS 24 2HE LYS 24 -4.144 26.291 0.132
215 HE3 LYS 24 3HE LYS 24 -2.891 25.831 -1.020
216 HZ1 LYS 24 1HZ LYS 24 -5.130 27.104 -1.696
217 HZ2 LYS 24 2HZ LYS 24 -5.620 25.504 -1.945
218 HZ3 LYS 24 3HZ LYS 24 -4.265 26.110 -2.757
219 H ASN 25 H ASN 25 -7.203 22.168 3.728
220 HA ASN 25 HA ASN 25 -7.997 24.904 4.135
221 HB2 ASN 25 2HB ASN 25 -9.134 22.270 5.079
222 HB3 ASN 25 3HB ASN 25 -9.837 23.826 5.512
223 HD21 ASN 25 1HD2 ASN 25 -9.950 21.324 3.367
224 HD22 ASN 25 2HD2 ASN 25 -10.776 22.104 2.066
225 H LYS 26 H LYS 26 -5.899 22.796 5.696
226 HA LYS 26 HA LYS 26 -6.294 23.967 8.340
227 HB2 LYS 26 2HB LYS 26 -4.194 21.950 7.564
228 HB3 LYS 26 3HB LYS 26 -4.830 22.291 9.168
229 HG2 LYS 26 2HG LYS 26 -6.422 21.078 6.919
230 HG3 LYS 26 3HG LYS 26 -5.643 20.164 8.213
231 HD2 LYS 26 2HD LYS 26 -6.994 21.412 9.862
232 HD3 LYS 26 3HD LYS 26 -7.810 22.241 8.535
233 HE2 LYS 26 2HE LYS 26 -9.297 20.548 8.922
234 HE3 LYS 26 3HE LYS 26 -8.262 19.776 7.722
235 HZ1 LYS 26 1HZ LYS 26 -7.972 19.465 10.661
236 HZ2 LYS 26 2HZ LYS 26 -7.069 18.666 9.475
237 HZ3 LYS 26 3HZ LYS 26 -8.721 18.343 9.640
238 H HIS 27 H HIS 27 -4.084 24.049 5.639
239 HA HIS 27 HA HIS 27 -2.686 26.287 6.908
240 HB2 HIS 27 2HB HIS 27 -1.249 24.012 5.526
241 HB3 HIS 27 3HB HIS 27 -0.503 25.439 6.240
242 HD1 HIS 27 HD1 HIS 27 -2.309 22.275 7.220
243 HD2 HIS 27 HD2 HIS 27 -0.009 25.276 8.942
244 HE1 HIS 27 HE1 HIS 27 -1.817 21.487 9.557
245 H GLY 28 H GLY 28 -3.110 24.380 3.938
246 HA2 GLY 28 2HA GLY 28 -3.875 25.346 1.900
247 HA3 GLY 28 3HA GLY 28 -3.264 26.901 2.443
248 H TYR 29 H TYR 29 -1.345 24.009 2.726
249 HA TYR 29 HA TYR 29 0.305 24.912 0.459
250 HB2 TYR 29 2HB TYR 29 1.152 24.085 3.224
251 HB3 TYR 29 3HB TYR 29 2.258 23.968 1.860
252 HD1 TYR 29 HD1 TYR 29 3.602 25.784 1.359
253 HD2 TYR 29 HD2 TYR 29 -0.003 26.431 3.524
254 HE1 TYR 29 HE1 TYR 29 4.200 28.154 1.635
255 HE2 TYR 29 HE2 TYR 29 0.584 28.803 3.805
256 HH TYR 29 HH TYR 29 2.743 30.384 2.038
257 H TYR 30 H TYR 30 2.128 22.961 0.285
258 HA TYR 30 HA TYR 30 0.780 20.379 0.340
259 HB2 TYR 30 2HB TYR 30 2.045 21.218 -2.246
260 HB3 TYR 30 3HB TYR 30 0.855 19.955 -1.950
261 HD1 TYR 30 HD1 TYR 30 -1.475 20.417 -2.042
262 HD2 TYR 30 HD2 TYR 30 1.332 23.609 -2.237
263 HE1 TYR 30 HE1 TYR 30 -3.277 21.953 -2.705
264 HE2 TYR 30 HE2 TYR 30 -0.463 25.154 -2.900
265 HH TYR 30 HH TYR 30 -2.644 25.143 -3.849
266 HA PRO 31 HA PRO 31 5.469 19.763 -0.658
267 HB2 PRO 31 2HB PRO 31 6.993 21.996 -0.898
268 HB3 PRO 31 3HB PRO 31 6.160 21.250 -2.266
269 HG2 PRO 31 2HG PRO 31 5.351 23.613 -0.617
270 HG3 PRO 31 3HG PRO 31 5.275 23.397 -2.375
271 HD2 PRO 31 2HD PRO 31 3.108 23.111 -0.777
272 HD3 PRO 31 3HD PRO 31 3.327 22.170 -2.266
273 H TRP 32 H TRP 32 7.702 20.734 0.462
274 HA TRP 32 HA TRP 32 7.094 20.608 3.282
275 HB2 TRP 32 2HB TRP 32 9.356 20.141 3.616
276 HB3 TRP 32 3HB TRP 32 9.049 19.453 2.024
277 HD1 TRP 32 HD1 TRP 32 11.093 22.096 3.785
278 HE1 TRP 32 HE1 TRP 32 12.691 23.202 2.098
279 HE3 TRP 32 HE3 TRP 32 9.206 20.119 -0.536
280 HZ2 TRP 32 HZ2 TRP 32 13.098 23.233 -0.696
281 HZ3 TRP 32 HZ3 TRP 32 10.257 20.738 -2.673
282 HH2 TRP 32 HH2 TRP 32 12.162 22.263 -2.749
283 H GLU 33 H GLU 33 6.972 23.072 1.209
284 HA GLU 33 HA GLU 33 8.414 25.048 2.768
285 HB2 GLU 33 2HB GLU 33 6.550 25.568 0.455
286 HB3 GLU 33 3HB GLU 33 7.829 26.610 1.065
287 HG2 GLU 33 2HG GLU 33 9.516 25.108 0.263
288 HG3 GLU 33 3HG GLU 33 8.297 23.922 -0.202
289 H ILE 34 H ILE 34 6.573 23.859 4.371
290 HA ILE 34 HA ILE 34 4.229 25.603 4.459
291 HB ILE 34 HB ILE 34 4.906 23.204 6.165
292 HG12 ILE 34 2HG1 ILE 34 2.684 23.228 4.176
293 HG13 ILE 34 3HG1 ILE 34 4.328 23.052 3.571
294 HG21 ILE 34 1HG2 ILE 34 2.628 23.320 6.953
295 HG22 ILE 34 2HG2 ILE 34 3.435 24.856 7.262
296 HG23 ILE 34 3HG2 ILE 34 2.306 24.709 5.916
297 HD11 ILE 34 1HD1 ILE 34 4.576 20.980 4.456
298 HD12 ILE 34 2HD1 ILE 34 3.496 21.306 5.812
299 HD13 ILE 34 3HD1 ILE 34 2.829 20.976 4.213
300 HA PRO 35 HA PRO 35 6.096 28.203 7.511
301 HB2 PRO 35 2HB PRO 35 3.838 29.484 8.306
302 HB3 PRO 35 3HB PRO 35 4.650 29.829 6.774
303 HG2 PRO 35 2HG PRO 35 2.250 28.119 7.302
304 HG3 PRO 35 3HG PRO 35 2.528 29.284 5.994
305 HD2 PRO 35 2HD PRO 35 2.809 26.613 5.651
306 HD3 PRO 35 3HD PRO 35 3.795 27.797 4.770
307 H ARG 36 H ARG 36 5.171 29.013 9.839
308 HA ARG 36 HA ARG 36 5.190 26.637 11.449
309 HB2 ARG 36 2HB ARG 36 4.791 29.485 12.369
310 HB3 ARG 36 3HB ARG 36 5.336 28.120 13.335
311 HG2 ARG 36 2HG ARG 36 7.364 28.996 12.947
312 HG3 ARG 36 3HG ARG 36 7.225 28.127 11.418
313 HD2 ARG 36 2HD ARG 36 7.472 30.068 10.366
314 HD3 ARG 36 3HD ARG 36 5.911 30.562 11.019
315 HE ARG 36 HE ARG 36 7.001 31.959 12.464
316 HH11 ARG 36 1HH1 ARG 36 9.274 29.653 11.184
317 HH12 ARG 36 2HH1 ARG 36 10.655 30.426 11.890
318 HH21 ARG 36 1HH2 ARG 36 8.811 32.986 13.398
319 HH22 ARG 36 2HH2 ARG 36 10.390 32.321 13.150
320 H CYS 37 H CYS 37 3.623 26.204 13.157
321 HA CYS 37 HA CYS 37 0.910 26.550 12.166
322 HB2 CYS 37 2HB CYS 37 1.857 24.322 12.943
323 HB3 CYS 37 3HB CYS 37 1.780 24.962 14.580
324 HG CYS 37 HG CYS 37 -1.132 25.398 13.129
Start of MODEL 11
1 H MET 1 H MET 1 3.144 -1.338 -1.638
2 HA MET 1 HA MET 1 4.217 -0.482 0.303
3 HB2 MET 1 2HB MET 1 5.863 -2.430 0.154
4 HB3 MET 1 3HB MET 1 6.835 -1.392 -0.880
5 HG2 MET 1 2HG MET 1 6.743 0.299 1.026
6 HG3 MET 1 3HG MET 1 6.151 -1.035 2.014
7 HE1 MET 1 1HE MET 1 8.102 -0.370 3.572
8 HE2 MET 1 2HE MET 1 7.967 -2.128 3.607
9 HE3 MET 1 3HE MET 1 9.556 -1.367 3.518
10 H LYS 2 H LYS 2 3.283 1.009 -1.601
11 HA LYS 2 HA LYS 2 3.469 2.951 -2.776
12 HB2 LYS 2 2HB LYS 2 5.786 3.291 -0.865
13 HB3 LYS 2 3HB LYS 2 5.162 4.574 -1.894
14 HG2 LYS 2 2HG LYS 2 3.769 5.097 -0.255
15 HG3 LYS 2 3HG LYS 2 2.929 3.576 -0.565
16 HD2 LYS 2 2HD LYS 2 4.538 2.467 0.999
17 HD3 LYS 2 3HD LYS 2 5.161 4.068 1.402
18 HE2 LYS 2 2HE LYS 2 3.589 4.151 2.978
19 HE3 LYS 2 3HE LYS 2 2.419 4.331 1.672
20 HZ1 LYS 2 1HZ LYS 2 2.776 2.162 3.459
21 HZ2 LYS 2 2HZ LYS 2 2.934 1.628 1.862
22 HZ3 LYS 2 3HZ LYS 2 1.529 2.434 2.349
23 H PHE 3 H PHE 3 4.125 1.393 -4.559
24 HA PHE 3 HA PHE 3 6.902 1.451 -5.343
25 HB2 PHE 3 2HB PHE 3 4.402 0.232 -6.453
26 HB3 PHE 3 3HB PHE 3 5.818 0.388 -7.488
27 HD1 PHE 3 HD1 PHE 3 5.304 -0.567 -3.916
28 HD2 PHE 3 HD2 PHE 3 6.907 -1.612 -7.718
29 HE1 PHE 3 HE1 PHE 3 6.228 -2.635 -2.954
30 HE2 PHE 3 HE2 PHE 3 7.832 -3.682 -6.763
31 HZ PHE 3 HZ PHE 3 7.492 -4.197 -4.379
32 H LYS 4 H LYS 4 7.455 2.102 -7.630
33 HA LYS 4 HA LYS 4 6.125 4.654 -8.264
34 HB2 LYS 4 2HB LYS 4 8.960 3.926 -8.990
35 HB3 LYS 4 3HB LYS 4 8.210 5.517 -9.018
36 HG2 LYS 4 2HG LYS 4 9.257 5.791 -7.061
37 HG3 LYS 4 3HG LYS 4 7.910 4.856 -6.408
38 HD2 LYS 4 2HD LYS 4 9.810 3.796 -5.552
39 HD3 LYS 4 3HD LYS 4 9.343 2.793 -6.927
40 HE2 LYS 4 2HE LYS 4 11.389 3.051 -7.750
41 HE3 LYS 4 3HE LYS 4 11.056 4.771 -7.945
42 HZ1 LYS 4 1HZ LYS 4 12.140 3.530 -5.475
43 HZ2 LYS 4 2HZ LYS 4 11.908 5.182 -5.749
44 HZ3 LYS 4 3HZ LYS 4 13.069 4.332 -6.639
45 H PHE 5 H PHE 5 7.301 1.621 -9.507
46 HA PHE 5 HA PHE 5 6.771 2.356 -12.265
47 HB2 PHE 5 2HB PHE 5 7.710 -0.215 -10.984
48 HB3 PHE 5 3HB PHE 5 7.431 -0.036 -12.713
49 HD1 PHE 5 HD1 PHE 5 8.632 2.161 -13.713
50 HD2 PHE 5 HD2 PHE 5 9.874 -0.021 -10.277
51 HE1 PHE 5 HE1 PHE 5 10.918 3.027 -13.994
52 HE2 PHE 5 HE2 PHE 5 12.162 0.842 -10.551
53 HZ PHE 5 HZ PHE 5 12.686 2.368 -12.411
54 H ASN 6 H ASN 6 5.310 0.483 -9.689
55 HA ASN 6 HA ASN 6 3.443 -1.007 -11.072
56 HB2 ASN 6 2HB ASN 6 3.685 0.060 -8.340
57 HB3 ASN 6 3HB ASN 6 2.031 -0.274 -8.847
58 HD21 ASN 6 1HD2 ASN 6 1.879 -1.955 -7.348
59 HD22 ASN 6 2HD2 ASN 6 2.647 -3.480 -7.613
60 HA PRO 7 HA PRO 7 0.456 1.710 -12.788
61 HB2 PRO 7 2HB PRO 7 -1.874 0.403 -12.305
62 HB3 PRO 7 3HB PRO 7 -0.692 -0.150 -13.497
63 HG2 PRO 7 2HG PRO 7 -1.143 -1.102 -10.695
64 HG3 PRO 7 3HG PRO 7 -0.840 -2.049 -12.163
65 HD2 PRO 7 2HD PRO 7 1.097 -1.519 -10.347
66 HD3 PRO 7 3HD PRO 7 1.434 -1.684 -12.082
67 H THR 8 H THR 8 -0.170 0.638 -9.485
68 HA THR 8 HA THR 8 -2.196 2.436 -8.807
69 HB THR 8 HB THR 8 -1.350 0.469 -7.428
70 HG1 THR 8 HG1 THR 8 -2.765 2.380 -6.744
71 HG21 THR 8 1HG2 THR 8 1.032 1.164 -7.431
72 HG22 THR 8 2HG2 THR 8 0.395 0.899 -5.807
73 HG23 THR 8 3HG2 THR 8 0.601 2.541 -6.418
74 H GLY 9 H GLY 9 1.136 2.980 -9.405
75 HA2 GLY 9 2HA GLY 9 1.772 5.135 -7.799
76 HA3 GLY 9 3HA GLY 9 2.370 4.918 -9.437
77 H THR 10 H THR 10 -0.057 5.148 -10.830
78 HA THR 10 HA THR 10 -0.304 8.001 -10.897
79 HB THR 10 HB THR 10 -1.906 5.923 -12.402
80 HG1 THR 10 HG1 THR 10 0.437 5.936 -12.751
81 HG21 THR 10 1HG2 THR 10 -3.005 7.598 -13.388
82 HG22 THR 10 2HG2 THR 10 -1.507 8.470 -13.712
83 HG23 THR 10 3HG2 THR 10 -2.327 8.670 -12.164
84 H ILE 11 H ILE 11 -2.572 5.344 -10.198
85 HA ILE 11 HA ILE 11 -4.815 6.860 -9.602
86 HB ILE 11 HB ILE 11 -3.959 4.256 -8.334
87 HG12 ILE 11 2HG1 ILE 11 -6.002 3.741 -10.114
88 HG13 ILE 11 3HG1 ILE 11 -5.072 4.983 -10.944
89 HG21 ILE 11 1HG2 ILE 11 -6.666 5.582 -8.423
90 HG22 ILE 11 2HG2 ILE 11 -6.345 3.955 -7.826
91 HG23 ILE 11 3HG2 ILE 11 -5.660 5.350 -6.994
92 HD11 ILE 11 1HD1 ILE 11 -4.298 2.216 -10.192
93 HD12 ILE 11 2HD1 ILE 11 -4.043 3.094 -11.700
94 HD13 ILE 11 3HD1 ILE 11 -3.048 3.456 -10.290
95 H VAL 12 H VAL 12 -2.398 5.599 -7.300
96 HA VAL 12 HA VAL 12 -3.403 6.748 -4.990
97 HB VAL 12 HB VAL 12 -0.516 6.247 -5.721
98 HG11 VAL 12 1HG1 VAL 12 -0.621 7.826 -3.895
99 HG12 VAL 12 2HG1 VAL 12 -1.771 6.800 -3.034
100 HG13 VAL 12 3HG1 VAL 12 -0.113 6.251 -3.285
101 HG21 VAL 12 1HG2 VAL 12 -2.358 4.370 -5.598
102 HG22 VAL 12 2HG2 VAL 12 -0.751 4.112 -4.920
103 HG23 VAL 12 3HG2 VAL 12 -2.096 4.539 -3.862
104 H LYS 13 H LYS 13 -1.538 8.189 -7.567
105 HA LYS 13 HA LYS 13 -0.907 10.591 -6.131
106 HB2 LYS 13 2HB LYS 13 0.490 10.924 -7.842
107 HB3 LYS 13 3HB LYS 13 -0.062 9.395 -8.513
108 HG2 LYS 13 2HG LYS 13 -1.803 10.572 -9.762
109 HG3 LYS 13 3HG LYS 13 -1.243 12.105 -9.092
110 HD2 LYS 13 2HD LYS 13 0.929 10.604 -10.279
111 HD3 LYS 13 3HD LYS 13 -0.372 10.890 -11.438
112 HE2 LYS 13 2HE LYS 13 -0.289 13.323 -10.573
113 HE3 LYS 13 3HE LYS 13 1.291 12.878 -9.931
114 HZ1 LYS 13 1HZ LYS 13 1.387 13.890 -12.160
115 HZ2 LYS 13 2HZ LYS 13 0.498 12.591 -12.778
116 HZ3 LYS 13 3HZ LYS 13 2.037 12.329 -12.125
117 H LYS 14 H LYS 14 -3.448 9.530 -8.300
118 HA LYS 14 HA LYS 14 -4.582 12.147 -8.640
119 HB2 LYS 14 2HB LYS 14 -5.667 9.391 -9.241
120 HB3 LYS 14 3HB LYS 14 -6.489 10.888 -9.660
121 HG2 LYS 14 2HG LYS 14 -3.826 9.940 -10.693
122 HG3 LYS 14 3HG LYS 14 -5.343 10.039 -11.590
123 HD2 LYS 14 2HD LYS 14 -5.339 12.491 -11.239
124 HD3 LYS 14 3HD LYS 14 -3.766 12.347 -10.452
125 HE2 LYS 14 2HE LYS 14 -3.011 12.784 -12.537
126 HE3 LYS 14 3HE LYS 14 -3.243 11.048 -12.739
127 HZ1 LYS 14 1HZ LYS 14 -4.310 12.919 -14.336
128 HZ2 LYS 14 2HZ LYS 14 -5.591 12.648 -13.265
129 HZ3 LYS 14 3HZ LYS 14 -4.939 11.359 -14.146
130 H LEU 15 H LEU 15 -5.488 9.241 -6.799
131 HA LEU 15 HA LEU 15 -7.805 10.230 -5.617
132 HB2 LEU 15 2HB LEU 15 -5.814 8.141 -4.868
133 HB3 LEU 15 3HB LEU 15 -7.052 8.602 -3.702
134 HG LEU 15 HG LEU 15 -7.489 6.558 -5.176
135 HD11 LEU 15 1HD1 LEU 15 -9.187 8.592 -4.157
136 HD12 LEU 15 2HD1 LEU 15 -9.531 6.877 -4.383
137 HD13 LEU 15 3HD1 LEU 15 -9.859 8.022 -5.684
138 HD21 LEU 15 1HD2 LEU 15 -8.089 8.729 -7.182
139 HD22 LEU 15 2HD2 LEU 15 -8.432 7.009 -7.371
140 HD23 LEU 15 3HD2 LEU 15 -6.762 7.571 -7.287
141 H THR 16 H THR 16 -4.445 10.734 -4.797
142 HA THR 16 HA THR 16 -4.942 11.888 -2.228
143 HB THR 16 HB THR 16 -2.499 12.071 -4.002
144 HG1 THR 16 HG1 THR 16 -3.257 9.957 -3.061
145 HG21 THR 16 1HG2 THR 16 -3.179 13.358 -1.482
146 HG22 THR 16 2HG2 THR 16 -1.832 13.664 -2.578
147 HG23 THR 16 3HG2 THR 16 -1.712 12.386 -1.370
148 H GLN 17 H GLN 17 -4.786 13.081 -5.498
149 HA GLN 17 HA GLN 17 -4.311 15.781 -5.077
150 HB2 GLN 17 2HB GLN 17 -4.827 14.271 -7.258
151 HB3 GLN 17 3HB GLN 17 -6.362 15.116 -7.103
152 HG2 GLN 17 2HG GLN 17 -4.251 16.998 -6.789
153 HG3 GLN 17 3HG GLN 17 -3.953 16.042 -8.240
154 HE21 GLN 17 1HE2 GLN 17 -5.155 16.393 -10.016
155 HE22 GLN 17 2HE2 GLN 17 -6.441 17.543 -10.117
156 H TYR 18 H TYR 18 -7.127 13.891 -4.386
157 HA TYR 18 HA TYR 18 -8.763 16.273 -3.951
158 HB2 TYR 18 2HB TYR 18 -9.469 13.337 -3.780
159 HB3 TYR 18 3HB TYR 18 -10.604 14.665 -3.565
160 HD1 TYR 18 HD1 TYR 18 -11.720 15.566 -5.408
161 HD2 TYR 18 HD2 TYR 18 -8.256 13.178 -6.041
162 HE1 TYR 18 HE1 TYR 18 -12.147 15.599 -7.830
163 HE2 TYR 18 HE2 TYR 18 -8.673 13.205 -8.465
164 HH TYR 18 HH TYR 18 -11.525 14.018 -9.830
165 H GLU 19 H GLU 19 -7.035 13.805 -2.220
166 HA GLU 19 HA GLU 19 -8.285 14.240 0.310
167 HB2 GLU 19 2HB GLU 19 -5.619 12.983 -0.365
168 HB3 GLU 19 3HB GLU 19 -6.395 12.925 1.212
169 HG2 GLU 19 2HG GLU 19 -7.694 11.848 -1.270
170 HG3 GLU 19 3HG GLU 19 -6.635 10.880 -0.247
171 H ILE 20 H ILE 20 -5.426 15.506 -1.307
172 HA ILE 20 HA ILE 20 -4.164 16.784 0.798
173 HB ILE 20 HB ILE 20 -4.409 17.785 -2.041
174 HG12 ILE 20 2HG1 ILE 20 -1.951 16.440 -1.099
175 HG13 ILE 20 3HG1 ILE 20 -3.364 15.404 -1.266
176 HG21 ILE 20 1HG2 ILE 20 -3.260 19.557 -1.360
177 HG22 ILE 20 2HG2 ILE 20 -3.157 18.910 0.277
178 HG23 ILE 20 3HG2 ILE 20 -1.933 18.484 -0.919
179 HD11 ILE 20 1HD1 ILE 20 -2.843 15.224 -3.409
180 HD12 ILE 20 2HD1 ILE 20 -3.321 16.911 -3.595
181 HD13 ILE 20 3HD1 ILE 20 -1.634 16.501 -3.288
182 H ALA 21 H ALA 21 -7.026 17.724 -0.983
183 HA ALA 21 HA ALA 21 -7.250 20.399 -0.360
184 HB1 ALA 21 1HB ALA 21 -9.832 19.248 -0.092
185 HB2 ALA 21 2HB ALA 21 -9.149 20.115 -1.468
186 HB3 ALA 21 3HB ALA 21 -8.961 18.365 -1.346
187 H TRP 22 H TRP 22 -8.232 17.611 1.606
188 HA TRP 22 HA TRP 22 -9.465 18.916 3.702
189 HB2 TRP 22 2HB TRP 22 -9.492 16.514 3.586
190 HB3 TRP 22 3HB TRP 22 -7.737 16.436 3.727
191 HD1 TRP 22 HD1 TRP 22 -6.689 16.990 6.177
192 HE1 TRP 22 HE1 TRP 22 -7.709 16.736 8.527
193 HE3 TRP 22 HE3 TRP 22 -11.625 16.656 4.888
194 HZ2 TRP 22 HZ2 TRP 22 -10.267 16.434 9.681
195 HZ3 TRP 22 HZ3 TRP 22 -13.295 16.385 6.675
196 HH2 TRP 22 HH2 TRP 22 -12.628 16.276 9.021
197 H PHE 23 H PHE 23 -6.007 18.287 3.234
198 HA PHE 23 HA PHE 23 -5.254 19.543 5.698
199 HB2 PHE 23 2HB PHE 23 -3.730 17.913 4.994
200 HB3 PHE 23 3HB PHE 23 -3.753 18.476 3.326
201 HD1 PHE 23 HD1 PHE 23 -2.558 19.282 6.728
202 HD2 PHE 23 HD2 PHE 23 -2.211 20.076 2.561
203 HE1 PHE 23 HE1 PHE 23 -0.522 20.598 7.152
204 HE2 PHE 23 HE2 PHE 23 -0.175 21.393 2.978
205 HZ PHE 23 HZ PHE 23 0.672 21.655 5.275
206 H LYS 24 H LYS 24 -5.674 20.552 2.393
207 HA LYS 24 HA LYS 24 -4.189 22.934 2.440
208 HB2 LYS 24 2HB LYS 24 -5.040 21.936 0.370
209 HB3 LYS 24 3HB LYS 24 -6.691 22.275 0.874
210 HG2 LYS 24 2HG LYS 24 -6.364 24.055 -0.486
211 HG3 LYS 24 3HG LYS 24 -5.739 24.746 1.014
212 HD2 LYS 24 2HD LYS 24 -3.460 23.883 0.271
213 HD3 LYS 24 3HD LYS 24 -4.198 23.619 -1.311
214 HE2 LYS 24 2HE LYS 24 -4.256 26.267 0.121
215 HE3 LYS 24 3HE LYS 24 -2.986 25.812 -1.013
216 HZ1 LYS 24 1HZ LYS 24 -4.295 26.289 -2.722
217 HZ2 LYS 24 2HZ LYS 24 -5.388 26.979 -1.631
218 HZ3 LYS 24 3HZ LYS 24 -5.575 25.367 -2.110
219 H ASN 25 H ASN 25 -7.345 22.135 3.681
220 HA ASN 25 HA ASN 25 -8.155 24.868 4.075
221 HB2 ASN 25 2HB ASN 25 -9.298 22.250 5.067
222 HB3 ASN 25 3HB ASN 25 -10.030 23.821 5.382
223 HD21 ASN 25 1HD2 ASN 25 -10.138 21.199 3.435
224 HD22 ASN 25 2HD2 ASN 25 -10.878 21.897 2.039
225 H LYS 26 H LYS 26 -6.069 22.770 5.665
226 HA LYS 26 HA LYS 26 -6.503 23.942 8.303
227 HB2 LYS 26 2HB LYS 26 -4.385 21.932 7.556
228 HB3 LYS 26 3HB LYS 26 -5.043 22.271 9.151
229 HG2 LYS 26 2HG LYS 26 -6.602 21.050 6.884
230 HG3 LYS 26 3HG LYS 26 -5.836 20.141 8.188
231 HD2 LYS 26 2HD LYS 26 -7.244 21.180 9.825
232 HD3 LYS 26 3HD LYS 26 -7.896 22.299 8.626
233 HE2 LYS 26 2HE LYS 26 -8.402 19.843 7.507
234 HE3 LYS 26 3HE LYS 26 -8.643 19.541 9.227
235 HZ1 LYS 26 1HZ LYS 26 -10.068 21.443 7.476
236 HZ2 LYS 26 2HZ LYS 26 -10.061 21.645 9.155
237 HZ3 LYS 26 3HZ LYS 26 -10.710 20.239 8.475
238 H HIS 27 H HIS 27 -4.258 24.030 5.631
239 HA HIS 27 HA HIS 27 -2.886 26.274 6.916
240 HB2 HIS 27 2HB HIS 27 -1.422 24.004 5.554
241 HB3 HIS 27 3HB HIS 27 -0.691 25.434 6.278
242 HD1 HIS 27 HD1 HIS 27 -2.497 22.264 7.236
243 HD2 HIS 27 HD2 HIS 27 -0.231 25.275 8.986
244 HE1 HIS 27 HE1 HIS 27 -2.033 21.480 9.580
245 H GLY 28 H GLY 28 -3.264 24.363 3.942
246 HA2 GLY 28 2HA GLY 28 -4.006 25.324 1.894
247 HA3 GLY 28 3HA GLY 28 -3.409 26.883 2.443
248 H TYR 29 H TYR 29 -1.482 23.998 2.753
249 HA TYR 29 HA TYR 29 0.194 24.907 0.508
250 HB2 TYR 29 2HB TYR 29 1.008 24.084 3.285
251 HB3 TYR 29 3HB TYR 29 2.132 23.970 1.936
252 HD1 TYR 29 HD1 TYR 29 3.476 25.791 1.452
253 HD2 TYR 29 HD2 TYR 29 -0.160 26.426 3.568
254 HE1 TYR 29 HE1 TYR 29 4.061 28.163 1.734
255 HE2 TYR 29 HE2 TYR 29 0.414 28.800 3.854
256 HH TYR 29 HH TYR 29 1.917 30.499 2.570
257 H TYR 30 H TYR 30 2.027 22.962 0.359
258 HA TYR 30 HA TYR 30 0.688 20.375 0.398
259 HB2 TYR 30 2HB TYR 30 1.984 21.219 -2.172
260 HB3 TYR 30 3HB TYR 30 0.796 19.951 -1.891
261 HD1 TYR 30 HD1 TYR 30 -1.534 20.402 -2.014
262 HD2 TYR 30 HD2 TYR 30 1.261 23.606 -2.174
263 HE1 TYR 30 HE1 TYR 30 -3.335 21.931 -2.702
264 HE2 TYR 30 HE2 TYR 30 -0.532 25.144 -2.860
265 HH TYR 30 HH TYR 30 -2.663 25.264 -3.622
266 HA PRO 31 HA PRO 31 5.392 19.777 -0.538
267 HB2 PRO 31 2HB PRO 31 6.911 22.016 -0.759
268 HB3 PRO 31 3HB PRO 31 6.099 21.266 -2.138
269 HG2 PRO 31 2HG PRO 31 5.259 23.627 -0.500
270 HG3 PRO 31 3HG PRO 31 5.207 23.410 -2.259
271 HD2 PRO 31 2HD PRO 31 3.020 23.115 -0.690
272 HD3 PRO 31 3HD PRO 31 3.263 22.175 -2.176
273 H TRP 32 H TRP 32 7.607 20.757 0.610
274 HA TRP 32 HA TRP 32 6.962 20.629 3.422
275 HB2 TRP 32 2HB TRP 32 9.222 20.171 3.787
276 HB3 TRP 32 3HB TRP 32 8.938 19.482 2.191
277 HD1 TRP 32 HD1 TRP 32 10.948 22.133 3.978
278 HE1 TRP 32 HE1 TRP 32 12.565 23.245 2.312
279 HE3 TRP 32 HE3 TRP 32 9.126 20.149 -0.367
280 HZ2 TRP 32 HZ2 TRP 32 13.008 23.277 -0.476
281 HZ3 TRP 32 HZ3 TRP 32 10.202 20.772 -2.490
282 HH2 TRP 32 HH2 TRP 32 12.103 22.304 -2.541
283 H GLU 33 H GLU 33 6.858 23.093 1.347
284 HA GLU 33 HA GLU 33 8.271 25.075 2.925
285 HB2 GLU 33 2HB GLU 33 6.437 25.587 0.587
286 HB3 GLU 33 3HB GLU 33 7.703 26.633 1.213
287 HG2 GLU 33 2HG GLU 33 9.406 25.138 0.435
288 HG3 GLU 33 3HG GLU 33 8.199 23.947 -0.046
289 H ILE 34 H ILE 34 6.414 23.879 4.504
290 HA ILE 34 HA ILE 34 4.062 25.614 4.559
291 HB ILE 34 HB ILE 34 4.726 23.219 6.275
292 HG12 ILE 34 2HG1 ILE 34 2.531 23.233 4.257
293 HG13 ILE 34 3HG1 ILE 34 4.184 23.063 3.674
294 HG21 ILE 34 1HG2 ILE 34 3.234 24.867 7.351
295 HG22 ILE 34 2HG2 ILE 34 2.124 24.713 5.990
296 HG23 ILE 34 3HG2 ILE 34 2.437 23.326 7.033
297 HD11 ILE 34 1HD1 ILE 34 2.872 20.938 4.122
298 HD12 ILE 34 2HD1 ILE 34 4.490 21.045 4.815
299 HD13 ILE 34 3HD1 ILE 34 3.075 21.307 5.834
300 HA PRO 35 HA PRO 35 5.879 28.222 7.635
301 HB2 PRO 35 2HB PRO 35 3.605 29.495 8.398
302 HB3 PRO 35 3HB PRO 35 4.437 29.843 6.878
303 HG2 PRO 35 2HG PRO 35 2.036 28.124 7.374
304 HG3 PRO 35 3HG PRO 35 2.328 29.289 6.070
305 HD2 PRO 35 2HD PRO 35 2.623 26.619 5.731
306 HD3 PRO 35 3HD PRO 35 3.616 27.807 4.864
307 H ARG 36 H ARG 36 4.910 29.032 9.949
308 HA ARG 36 HA ARG 36 3.607 26.945 11.438
309 HB2 ARG 36 2HB ARG 36 5.521 26.626 13.017
310 HB3 ARG 36 3HB ARG 36 5.792 25.960 11.412
311 HG2 ARG 36 2HG ARG 36 6.747 28.636 11.438
312 HG3 ARG 36 3HG ARG 36 7.388 27.794 12.851
313 HD2 ARG 36 2HD ARG 36 7.741 25.909 10.948
314 HD3 ARG 36 3HD ARG 36 7.922 27.375 9.985
315 HE ARG 36 HE ARG 36 9.787 26.330 11.853
316 HH11 ARG 36 1HH1 ARG 36 8.506 29.310 10.590
317 HH12 ARG 36 2HH1 ARG 36 9.942 30.221 10.924
318 HH21 ARG 36 1HH2 ARG 36 11.683 27.518 12.298
319 HH22 ARG 36 2HH2 ARG 36 11.749 29.200 11.895
320 H CYS 37 H CYS 37 3.398 27.528 13.761
321 HA CYS 37 HA CYS 37 3.125 30.434 14.008
322 HB2 CYS 37 2HB CYS 37 1.726 28.087 15.182
323 HB3 CYS 37 3HB CYS 37 1.842 29.532 16.180
324 HG CYS 37 HG CYS 37 -0.329 28.871 13.881
Start of MODEL 12
1 H MET 1 H MET 1 6.835 -1.262 0.410
2 HA MET 1 HA MET 1 4.311 -0.884 -0.817
3 HB2 MET 1 2HB MET 1 4.780 -0.858 1.658
4 HB3 MET 1 3HB MET 1 5.486 0.738 1.444
5 HG2 MET 1 2HG MET 1 3.439 1.709 0.913
6 HG3 MET 1 3HG MET 1 2.692 0.155 0.549
7 HE1 MET 1 1HE MET 1 1.150 -1.107 2.379
8 HE2 MET 1 2HE MET 1 2.789 -1.756 2.450
9 HE3 MET 1 3HE MET 1 1.921 -1.387 3.941
10 H LYS 2 H LYS 2 3.367 1.005 -1.652
11 HA LYS 2 HA LYS 2 3.301 2.826 -3.017
12 HB2 LYS 2 2HB LYS 2 5.613 3.755 -1.303
13 HB3 LYS 2 3HB LYS 2 4.593 4.776 -2.309
14 HG2 LYS 2 2HG LYS 2 2.918 3.292 -0.557
15 HG3 LYS 2 3HG LYS 2 4.217 4.022 0.389
16 HD2 LYS 2 2HD LYS 2 3.614 6.184 -0.218
17 HD3 LYS 2 3HD LYS 2 2.722 5.639 -1.641
18 HE2 LYS 2 2HE LYS 2 0.841 5.609 -0.464
19 HE3 LYS 2 3HE LYS 2 1.549 4.452 0.662
20 HZ1 LYS 2 1HZ LYS 2 2.555 6.390 1.827
21 HZ2 LYS 2 2HZ LYS 2 0.866 6.343 1.896
22 HZ3 LYS 2 3HZ LYS 2 1.639 7.412 0.837
23 H PHE 3 H PHE 3 4.128 1.249 -4.665
24 HA PHE 3 HA PHE 3 6.878 1.372 -5.434
25 HB2 PHE 3 2HB PHE 3 4.393 0.181 -6.602
26 HB3 PHE 3 3HB PHE 3 5.826 0.334 -7.613
27 HD1 PHE 3 HD1 PHE 3 5.274 -0.626 -4.048
28 HD2 PHE 3 HD2 PHE 3 6.880 -1.685 -7.845
29 HE1 PHE 3 HE1 PHE 3 6.169 -2.707 -3.086
30 HE2 PHE 3 HE2 PHE 3 7.776 -3.767 -6.889
31 HZ PHE 3 HZ PHE 3 7.420 -4.281 -4.507
32 H LYS 4 H LYS 4 7.393 1.944 -7.807
33 HA LYS 4 HA LYS 4 6.166 4.556 -8.411
34 HB2 LYS 4 2HB LYS 4 8.981 3.721 -9.111
35 HB3 LYS 4 3HB LYS 4 8.284 5.333 -9.211
36 HG2 LYS 4 2HG LYS 4 9.350 5.629 -7.260
37 HG3 LYS 4 3HG LYS 4 7.928 4.825 -6.590
38 HD2 LYS 4 2HD LYS 4 9.129 2.660 -6.778
39 HD3 LYS 4 3HD LYS 4 10.562 3.540 -7.313
40 HE2 LYS 4 2HE LYS 4 9.685 4.804 -4.960
41 HE3 LYS 4 3HE LYS 4 9.604 3.070 -4.650
42 HZ1 LYS 4 1HZ LYS 4 11.945 4.725 -5.318
43 HZ2 LYS 4 2HZ LYS 4 11.954 3.074 -5.683
44 HZ3 LYS 4 3HZ LYS 4 11.760 3.584 -4.082
45 H PHE 5 H PHE 5 7.278 1.498 -9.670
46 HA PHE 5 HA PHE 5 6.718 2.252 -12.418
47 HB2 PHE 5 2HB PHE 5 7.591 -0.384 -11.218
48 HB3 PHE 5 3HB PHE 5 7.422 -0.069 -12.941
49 HD1 PHE 5 HD1 PHE 5 9.679 -0.206 -10.295
50 HD2 PHE 5 HD2 PHE 5 8.761 2.071 -13.771
51 HE1 PHE 5 HE1 PHE 5 11.997 0.616 -10.365
52 HE2 PHE 5 HE2 PHE 5 11.077 2.896 -13.848
53 HZ PHE 5 HZ PHE 5 12.699 2.168 -12.143
54 H ASN 6 H ASN 6 5.280 0.387 -9.826
55 HA ASN 6 HA ASN 6 3.390 -1.096 -11.189
56 HB2 ASN 6 2HB ASN 6 3.672 -0.035 -8.457
57 HB3 ASN 6 3HB ASN 6 2.012 -0.368 -8.942
58 HD21 ASN 6 1HD2 ASN 6 5.238 -1.830 -8.989
59 HD22 ASN 6 2HD2 ASN 6 4.700 -3.441 -8.670
60 HA PRO 7 HA PRO 7 0.391 1.639 -12.853
61 HB2 PRO 7 2HB PRO 7 -1.938 0.341 -12.340
62 HB3 PRO 7 3HB PRO 7 -0.775 -0.214 -13.551
63 HG2 PRO 7 2HG PRO 7 -1.190 -1.171 -10.745
64 HG3 PRO 7 3HG PRO 7 -0.913 -2.116 -12.220
65 HD2 PRO 7 2HD PRO 7 1.052 -1.600 -10.430
66 HD3 PRO 7 3HD PRO 7 1.364 -1.761 -12.171
67 H THR 8 H THR 8 -0.195 0.559 -9.545
68 HA THR 8 HA THR 8 -2.201 2.367 -8.833
69 HB THR 8 HB THR 8 -1.349 0.390 -7.474
70 HG1 THR 8 HG1 THR 8 -1.834 1.539 -5.478
71 HG21 THR 8 1HG2 THR 8 0.420 0.804 -5.874
72 HG22 THR 8 2HG2 THR 8 0.629 2.446 -6.482
73 HG23 THR 8 3HG2 THR 8 1.036 1.068 -7.505
74 H GLY 9 H GLY 9 1.125 2.894 -9.474
75 HA2 GLY 9 2HA GLY 9 1.796 5.038 -7.869
76 HA3 GLY 9 3HA GLY 9 2.371 4.824 -9.516
77 H THR 10 H THR 10 -0.072 5.074 -10.877
78 HA THR 10 HA THR 10 -0.304 7.929 -10.928
79 HB THR 10 HB THR 10 -1.937 5.867 -12.421
80 HG1 THR 10 HG1 THR 10 -0.176 5.628 -13.555
81 HG21 THR 10 1HG2 THR 10 -2.341 8.614 -12.166
82 HG22 THR 10 2HG2 THR 10 -3.036 7.552 -13.390
83 HG23 THR 10 3HG2 THR 10 -1.537 8.418 -13.723
84 H ILE 11 H ILE 11 -2.578 5.282 -10.210
85 HA ILE 11 HA ILE 11 -4.804 6.808 -9.580
86 HB ILE 11 HB ILE 11 -3.947 4.195 -8.333
87 HG12 ILE 11 2HG1 ILE 11 -6.016 3.698 -10.086
88 HG13 ILE 11 3HG1 ILE 11 -5.093 4.940 -10.925
89 HG21 ILE 11 1HG2 ILE 11 -6.327 3.905 -7.793
90 HG22 ILE 11 2HG2 ILE 11 -5.620 5.291 -6.964
91 HG23 ILE 11 3HG2 ILE 11 -6.646 5.538 -8.378
92 HD11 ILE 11 1HD1 ILE 11 -4.324 2.165 -10.203
93 HD12 ILE 11 2HD1 ILE 11 -4.078 3.056 -11.705
94 HD13 ILE 11 3HD1 ILE 11 -3.067 3.397 -10.301
95 H VAL 12 H VAL 12 -2.366 5.524 -7.314
96 HA VAL 12 HA VAL 12 -3.334 6.671 -4.986
97 HB VAL 12 HB VAL 12 -0.459 6.154 -5.757
98 HG11 VAL 12 1HG1 VAL 12 -0.026 6.147 -3.325
99 HG12 VAL 12 2HG1 VAL 12 -0.531 7.728 -3.924
100 HG13 VAL 12 3HG1 VAL 12 -1.676 6.707 -3.053
101 HG21 VAL 12 1HG2 VAL 12 -0.724 4.010 -5.077
102 HG22 VAL 12 2HG2 VAL 12 -1.912 4.431 -3.843
103 HG23 VAL 12 3HG2 VAL 12 -2.400 4.317 -5.534
104 H LYS 13 H LYS 13 -1.493 8.110 -7.582
105 HA LYS 13 HA LYS 13 -0.828 10.503 -6.146
106 HB2 LYS 13 2HB LYS 13 0.549 10.834 -7.873
107 HB3 LYS 13 3HB LYS 13 -0.022 9.311 -8.543
108 HG2 LYS 13 2HG LYS 13 -1.771 10.503 -9.765
109 HG3 LYS 13 3HG LYS 13 -1.193 12.031 -9.096
110 HD2 LYS 13 2HD LYS 13 0.868 10.398 -10.406
111 HD3 LYS 13 3HD LYS 13 -0.404 10.988 -11.480
112 HE2 LYS 13 2HE LYS 13 0.021 13.267 -10.333
113 HE3 LYS 13 3HE LYS 13 1.543 12.544 -9.816
114 HZ1 LYS 13 1HZ LYS 13 1.713 11.952 -12.335
115 HZ2 LYS 13 2HZ LYS 13 2.152 13.490 -11.787
116 HZ3 LYS 13 3HZ LYS 13 0.645 13.251 -12.517
117 H LYS 14 H LYS 14 -3.405 9.466 -8.285
118 HA LYS 14 HA LYS 14 -4.526 12.091 -8.600
119 HB2 LYS 14 2HB LYS 14 -5.636 9.344 -9.197
120 HB3 LYS 14 3HB LYS 14 -6.454 10.847 -9.600
121 HG2 LYS 14 2HG LYS 14 -3.810 9.887 -10.671
122 HG3 LYS 14 3HG LYS 14 -5.339 9.998 -11.547
123 HD2 LYS 14 2HD LYS 14 -5.316 12.449 -11.188
124 HD3 LYS 14 3HD LYS 14 -3.733 12.293 -10.422
125 HE2 LYS 14 2HE LYS 14 -2.935 12.661 -12.486
126 HE3 LYS 14 3HE LYS 14 -3.336 10.968 -12.765
127 HZ1 LYS 14 1HZ LYS 14 -5.019 11.507 -14.118
128 HZ2 LYS 14 2HZ LYS 14 -4.240 13.002 -14.254
129 HZ3 LYS 14 3HZ LYS 14 -5.523 12.814 -13.169
130 H LEU 15 H LEU 15 -5.427 9.184 -6.759
131 HA LEU 15 HA LEU 15 -7.723 10.181 -5.543
132 HB2 LEU 15 2HB LEU 15 -5.732 8.080 -4.826
133 HB3 LEU 15 3HB LEU 15 -6.952 8.544 -3.642
134 HG LEU 15 HG LEU 15 -7.417 6.506 -5.119
135 HD11 LEU 15 1HD1 LEU 15 -9.270 7.066 -3.948
136 HD12 LEU 15 2HD1 LEU 15 -9.844 7.532 -5.549
137 HD13 LEU 15 3HD1 LEU 15 -9.213 8.756 -4.447
138 HD21 LEU 15 1HD2 LEU 15 -8.389 6.969 -7.297
139 HD22 LEU 15 2HD2 LEU 15 -6.717 7.528 -7.236
140 HD23 LEU 15 3HD2 LEU 15 -8.040 8.688 -7.106
141 H THR 16 H THR 16 -4.349 10.665 -4.765
142 HA THR 16 HA THR 16 -4.806 11.815 -2.187
143 HB THR 16 HB THR 16 -2.386 11.994 -3.992
144 HG1 THR 16 HG1 THR 16 -1.607 10.323 -2.673
145 HG21 THR 16 1HG2 THR 16 -1.560 12.292 -1.370
146 HG22 THR 16 2HG2 THR 16 -3.027 13.268 -1.455
147 HG23 THR 16 3HG2 THR 16 -1.696 13.578 -2.569
148 H GLN 17 H GLN 17 -4.688 13.016 -5.455
149 HA GLN 17 HA GLN 17 -4.195 15.714 -5.032
150 HB2 GLN 17 2HB GLN 17 -4.633 14.290 -7.224
151 HB3 GLN 17 3HB GLN 17 -6.262 14.925 -7.035
152 HG2 GLN 17 2HG GLN 17 -5.672 16.978 -7.689
153 HG3 GLN 17 3HG GLN 17 -4.159 16.940 -6.785
154 HE21 GLN 17 1HE2 GLN 17 -2.387 15.704 -7.735
155 HE22 GLN 17 2HE2 GLN 17 -2.239 15.649 -9.455
156 H TYR 18 H TYR 18 -7.011 13.834 -4.311
157 HA TYR 18 HA TYR 18 -8.630 16.222 -3.848
158 HB2 TYR 18 2HB TYR 18 -9.347 13.288 -3.677
159 HB3 TYR 18 3HB TYR 18 -10.473 14.620 -3.442
160 HD1 TYR 18 HD1 TYR 18 -8.165 13.134 -5.955
161 HD2 TYR 18 HD2 TYR 18 -11.608 15.536 -5.266
162 HE1 TYR 18 HE1 TYR 18 -8.614 13.171 -8.373
163 HE2 TYR 18 HE2 TYR 18 -12.068 15.579 -7.682
164 HH TYR 18 HH TYR 18 -10.659 13.502 -9.860
165 H GLU 19 H GLU 19 -6.891 13.741 -2.146
166 HA GLU 19 HA GLU 19 -8.107 14.173 0.401
167 HB2 GLU 19 2HB GLU 19 -5.454 12.908 -0.311
168 HB3 GLU 19 3HB GLU 19 -6.212 12.846 1.275
169 HG2 GLU 19 2HG GLU 19 -7.550 11.789 -1.194
170 HG3 GLU 19 3HG GLU 19 -6.474 10.810 -0.199
171 H ILE 20 H ILE 20 -5.264 15.433 -1.249
172 HA ILE 20 HA ILE 20 -3.970 16.699 0.844
173 HB ILE 20 HB ILE 20 -4.249 17.711 -1.989
174 HG12 ILE 20 2HG1 ILE 20 -1.783 16.354 -1.084
175 HG13 ILE 20 3HG1 ILE 20 -3.202 15.324 -1.236
176 HG21 ILE 20 1HG2 ILE 20 -3.085 19.477 -1.316
177 HG22 ILE 20 2HG2 ILE 20 -2.962 18.823 0.316
178 HG23 ILE 20 3HG2 ILE 20 -1.755 18.397 -0.898
179 HD11 ILE 20 1HD1 ILE 20 -1.502 16.441 -3.280
180 HD12 ILE 20 2HD1 ILE 20 -2.694 15.146 -3.383
181 HD13 ILE 20 3HD1 ILE 20 -3.200 16.826 -3.561
182 H ALA 21 H ALA 21 -6.852 17.656 -0.896
183 HA ALA 21 HA ALA 21 -7.057 20.330 -0.260
184 HB1 ALA 21 1HB ALA 21 -9.103 18.184 -0.651
185 HB2 ALA 21 2HB ALA 21 -9.595 19.815 -0.196
186 HB3 ALA 21 3HB ALA 21 -8.700 19.550 -1.692
187 H TRP 22 H TRP 22 -8.023 17.539 1.708
188 HA TRP 22 HA TRP 22 -9.223 18.840 3.825
189 HB2 TRP 22 2HB TRP 22 -9.226 16.421 3.654
190 HB3 TRP 22 3HB TRP 22 -7.479 16.369 3.871
191 HD1 TRP 22 HD1 TRP 22 -6.544 16.917 6.362
192 HE1 TRP 22 HE1 TRP 22 -7.660 16.657 8.666
193 HE3 TRP 22 HE3 TRP 22 -11.419 16.561 4.866
194 HZ2 TRP 22 HZ2 TRP 22 -10.263 16.342 9.712
195 HZ3 TRP 22 HZ3 TRP 22 -13.161 16.281 6.580
196 HH2 TRP 22 HH2 TRP 22 -12.594 16.173 8.953
197 H PHE 23 H PHE 23 -5.775 18.200 3.309
198 HA PHE 23 HA PHE 23 -4.984 19.443 5.768
199 HB2 PHE 23 2HB PHE 23 -3.476 17.810 5.037
200 HB3 PHE 23 3HB PHE 23 -3.519 18.380 3.372
201 HD1 PHE 23 HD1 PHE 23 -1.980 19.974 2.592
202 HD2 PHE 23 HD2 PHE 23 -2.275 19.170 6.761
203 HE1 PHE 23 HE1 PHE 23 0.067 21.281 2.985
204 HE2 PHE 23 HE2 PHE 23 -0.229 20.476 7.161
205 HZ PHE 23 HZ PHE 23 0.944 21.535 5.272
206 H LYS 24 H LYS 24 -5.444 20.466 2.473
207 HA LYS 24 HA LYS 24 -3.949 22.842 2.509
208 HB2 LYS 24 2HB LYS 24 -4.832 21.855 0.447
209 HB3 LYS 24 3HB LYS 24 -6.474 22.199 0.974
210 HG2 LYS 24 2HG LYS 24 -6.159 23.983 -0.383
211 HG3 LYS 24 3HG LYS 24 -5.512 24.666 1.111
212 HD2 LYS 24 2HD LYS 24 -3.246 23.798 0.334
213 HD3 LYS 24 3HD LYS 24 -4.005 23.543 -1.239
214 HE2 LYS 24 2HE LYS 24 -4.034 26.185 0.204
215 HE3 LYS 24 3HE LYS 24 -2.782 25.729 -0.950
216 HZ1 LYS 24 1HZ LYS 24 -5.642 26.248 -1.437
217 HZ2 LYS 24 2HZ LYS 24 -4.755 25.286 -2.509
218 HZ3 LYS 24 3HZ LYS 24 -4.293 26.890 -2.232
219 H ASN 25 H ASN 25 -7.091 22.051 3.789
220 HA ASN 25 HA ASN 25 -7.885 24.786 4.205
221 HB2 ASN 25 2HB ASN 25 -9.023 22.160 5.177
222 HB3 ASN 25 3HB ASN 25 -9.737 23.725 5.553
223 HD21 ASN 25 1HD2 ASN 25 -9.998 21.162 3.589
224 HD22 ASN 25 2HD2 ASN 25 -10.734 21.901 2.211
225 H LYS 26 H LYS 26 -5.785 22.674 5.758
226 HA LYS 26 HA LYS 26 -6.180 23.836 8.406
227 HB2 LYS 26 2HB LYS 26 -4.078 21.823 7.623
228 HB3 LYS 26 3HB LYS 26 -4.715 22.157 9.228
229 HG2 LYS 26 2HG LYS 26 -6.304 20.949 6.974
230 HG3 LYS 26 3HG LYS 26 -5.527 20.034 8.268
231 HD2 LYS 26 2HD LYS 26 -6.911 21.089 9.923
232 HD3 LYS 26 3HD LYS 26 -7.585 22.192 8.721
233 HE2 LYS 26 2HE LYS 26 -9.192 20.723 8.293
234 HE3 LYS 26 3HE LYS 26 -7.977 19.558 7.769
235 HZ1 LYS 26 1HZ LYS 26 -9.462 19.688 10.247
236 HZ2 LYS 26 2HZ LYS 26 -7.817 19.343 10.432
237 HZ3 LYS 26 3HZ LYS 26 -8.784 18.353 9.459
238 H HIS 27 H HIS 27 -3.971 23.928 5.704
239 HA HIS 27 HA HIS 27 -2.574 26.163 6.979
240 HB2 HIS 27 2HB HIS 27 -1.136 23.893 5.590
241 HB3 HIS 27 3HB HIS 27 -0.391 25.317 6.308
242 HD1 HIS 27 HD1 HIS 27 -2.194 22.150 7.279
243 HD2 HIS 27 HD2 HIS 27 0.105 25.146 9.010
244 HE1 HIS 27 HE1 HIS 27 -1.701 21.355 9.613
245 H GLY 28 H GLY 28 -2.998 24.264 4.004
246 HA2 GLY 28 2HA GLY 28 -3.765 25.236 1.969
247 HA3 GLY 28 3HA GLY 28 -3.154 26.790 2.516
248 H TYR 29 H TYR 29 -1.234 23.897 2.790
249 HA TYR 29 HA TYR 29 0.415 24.808 0.525
250 HB2 TYR 29 2HB TYR 29 1.263 23.972 3.287
251 HB3 TYR 29 3HB TYR 29 2.369 23.859 1.922
252 HD1 TYR 29 HD1 TYR 29 3.713 25.676 1.427
253 HD2 TYR 29 HD2 TYR 29 0.108 26.317 3.595
254 HE1 TYR 29 HE1 TYR 29 4.311 28.045 1.710
255 HE2 TYR 29 HE2 TYR 29 0.695 28.688 3.882
256 HH TYR 29 HH TYR 29 2.203 30.269 3.511
257 H TYR 30 H TYR 30 2.238 22.857 0.343
258 HA TYR 30 HA TYR 30 0.890 20.275 0.391
259 HB2 TYR 30 2HB TYR 30 2.154 21.123 -2.193
260 HB3 TYR 30 3HB TYR 30 0.965 19.859 -1.900
261 HD1 TYR 30 HD1 TYR 30 -1.365 20.320 -1.991
262 HD2 TYR 30 HD2 TYR 30 1.441 23.513 -2.176
263 HE1 TYR 30 HE1 TYR 30 -3.168 21.858 -2.648
264 HE2 TYR 30 HE2 TYR 30 -0.355 25.060 -2.833
265 HH TYR 30 HH TYR 30 -3.200 24.176 -4.020
266 HA PRO 31 HA PRO 31 5.579 19.662 -0.610
267 HB2 PRO 31 2HB PRO 31 7.103 21.896 -0.844
268 HB3 PRO 31 3HB PRO 31 6.270 21.154 -2.215
269 HG2 PRO 31 2HG PRO 31 5.461 23.512 -0.557
270 HG3 PRO 31 3HG PRO 31 5.384 23.302 -2.316
271 HD2 PRO 31 2HD PRO 31 3.218 23.010 -0.718
272 HD3 PRO 31 3HD PRO 31 3.436 22.074 -2.211
273 H TRP 32 H TRP 32 7.812 20.629 0.511
274 HA TRP 32 HA TRP 32 7.205 20.494 3.331
275 HB2 TRP 32 2HB TRP 32 9.468 20.026 3.663
276 HB3 TRP 32 3HB TRP 32 9.159 19.342 2.070
277 HD1 TRP 32 HD1 TRP 32 11.205 21.980 3.836
278 HE1 TRP 32 HE1 TRP 32 12.802 23.090 2.151
279 HE3 TRP 32 HE3 TRP 32 9.315 20.016 -0.489
280 HZ2 TRP 32 HZ2 TRP 32 13.207 23.129 -0.642
281 HZ3 TRP 32 HZ3 TRP 32 10.364 20.641 -2.625
282 HH2 TRP 32 HH2 TRP 32 12.269 22.166 -2.698
283 H GLU 33 H GLU 33 7.083 22.965 1.266
284 HA GLU 33 HA GLU 33 8.525 24.936 2.831
285 HB2 GLU 33 2HB GLU 33 6.661 25.463 0.520
286 HB3 GLU 33 3HB GLU 33 7.940 26.503 1.133
287 HG2 GLU 33 2HG GLU 33 9.626 25.003 0.326
288 HG3 GLU 33 3HG GLU 33 8.407 23.819 -0.143
289 H ILE 34 H ILE 34 6.686 23.742 4.431
290 HA ILE 34 HA ILE 34 4.341 25.486 4.525
291 HB ILE 34 HB ILE 34 5.019 23.082 6.224
292 HG12 ILE 34 2HG1 ILE 34 2.797 23.112 4.236
293 HG13 ILE 34 3HG1 ILE 34 4.440 22.938 3.629
294 HG21 ILE 34 1HG2 ILE 34 2.741 23.195 7.013
295 HG22 ILE 34 2HG2 ILE 34 3.549 24.731 7.326
296 HG23 ILE 34 3HG2 ILE 34 2.419 24.587 5.980
297 HD11 ILE 34 1HD1 ILE 34 4.715 20.878 4.580
298 HD12 ILE 34 2HD1 ILE 34 3.532 21.184 5.852
299 HD13 ILE 34 3HD1 ILE 34 2.992 20.846 4.208
300 HA PRO 35 HA PRO 35 6.210 28.076 7.585
301 HB2 PRO 35 2HB PRO 35 3.952 29.355 8.384
302 HB3 PRO 35 3HB PRO 35 4.764 29.705 6.853
303 HG2 PRO 35 2HG PRO 35 2.364 27.994 7.377
304 HG3 PRO 35 3HG PRO 35 2.642 29.162 6.072
305 HD2 PRO 35 2HD PRO 35 2.922 26.492 5.721
306 HD3 PRO 35 3HD PRO 35 3.908 27.679 4.843
307 H ARG 36 H ARG 36 5.282 28.880 9.915
308 HA ARG 36 HA ARG 36 5.406 26.560 11.555
309 HB2 ARG 36 2HB ARG 36 4.679 29.377 12.375
310 HB3 ARG 36 3HB ARG 36 5.258 28.091 13.425
311 HG2 ARG 36 2HG ARG 36 7.249 29.068 13.149
312 HG3 ARG 36 3HG ARG 36 7.262 28.220 11.602
313 HD2 ARG 36 2HD ARG 36 7.525 30.231 10.669
314 HD3 ARG 36 3HD ARG 36 5.826 30.502 11.053
315 HE ARG 36 HE ARG 36 7.185 31.214 13.321
316 HH11 ARG 36 1HH1 ARG 36 7.260 32.169 9.974
317 HH12 ARG 36 2HH1 ARG 36 7.759 33.793 10.313
318 HH21 ARG 36 1HH2 ARG 36 7.841 33.349 13.781
319 HH22 ARG 36 2HH2 ARG 36 8.090 34.463 12.479
320 H CYS 37 H CYS 37 3.829 26.006 13.234
321 HA CYS 37 HA CYS 37 1.267 25.557 12.150
322 HB2 CYS 37 2HB CYS 37 2.225 25.340 15.012
323 HB3 CYS 37 3HB CYS 37 0.697 24.706 14.412
324 HG CYS 37 HG CYS 37 1.755 22.735 12.859
Start of MODEL 13
1 H MET 1 H MET 1 5.482 -2.125 -0.834
2 HA MET 1 HA MET 1 4.214 -0.239 -0.124
3 HB2 MET 1 2HB MET 1 7.102 0.324 0.572
4 HB3 MET 1 3HB MET 1 5.694 0.945 1.422
5 HG2 MET 1 2HG MET 1 5.255 -1.745 1.492
6 HG3 MET 1 3HG MET 1 7.011 -1.652 1.607
7 HE1 MET 1 1HE MET 1 7.652 0.804 4.238
8 HE2 MET 1 2HE MET 1 8.038 -0.871 4.630
9 HE3 MET 1 3HE MET 1 8.233 -0.284 2.978
10 H LYS 2 H LYS 2 3.385 1.005 -1.758
11 HA LYS 2 HA LYS 2 3.122 2.808 -3.119
12 HB2 LYS 2 2HB LYS 2 5.445 3.983 -1.585
13 HB3 LYS 2 3HB LYS 2 4.235 4.867 -2.505
14 HG2 LYS 2 2HG LYS 2 2.613 3.601 -0.814
15 HG3 LYS 2 3HG LYS 2 4.066 3.656 0.186
16 HD2 LYS 2 2HD LYS 2 4.075 5.962 0.278
17 HD3 LYS 2 3HD LYS 2 3.156 6.129 -1.220
18 HE2 LYS 2 2HE LYS 2 1.485 4.740 0.543
19 HE3 LYS 2 3HE LYS 2 2.223 6.021 1.503
20 HZ1 LYS 2 1HZ LYS 2 0.870 7.476 0.560
21 HZ2 LYS 2 2HZ LYS 2 0.131 6.239 -0.325
22 HZ3 LYS 2 3HZ LYS 2 1.446 7.077 -0.980
23 H PHE 3 H PHE 3 4.201 1.002 -4.556
24 HA PHE 3 HA PHE 3 6.816 1.271 -5.485
25 HB2 PHE 3 2HB PHE 3 4.304 0.126 -6.640
26 HB3 PHE 3 3HB PHE 3 5.727 0.279 -7.665
27 HD1 PHE 3 HD1 PHE 3 6.811 -1.718 -7.926
28 HD2 PHE 3 HD2 PHE 3 5.147 -0.764 -4.126
29 HE1 PHE 3 HE1 PHE 3 7.693 -3.826 -7.014
30 HE2 PHE 3 HE2 PHE 3 6.028 -2.869 -3.208
31 HZ PHE 3 HZ PHE 3 7.303 -4.403 -4.651
32 H LYS 4 H LYS 4 7.366 1.920 -7.797
33 HA LYS 4 HA LYS 4 6.123 4.529 -8.374
34 HB2 LYS 4 2HB LYS 4 8.948 3.709 -9.054
35 HB3 LYS 4 3HB LYS 4 8.248 5.319 -9.160
36 HG2 LYS 4 2HG LYS 4 9.272 5.621 -7.191
37 HG3 LYS 4 3HG LYS 4 7.858 4.787 -6.542
38 HD2 LYS 4 2HD LYS 4 9.123 2.638 -6.789
39 HD3 LYS 4 3HD LYS 4 10.547 3.594 -7.207
40 HE2 LYS 4 2HE LYS 4 9.606 4.771 -4.884
41 HE3 LYS 4 3HE LYS 4 9.366 3.046 -4.611
42 HZ1 LYS 4 1HZ LYS 4 11.937 4.024 -5.659
43 HZ2 LYS 4 2HZ LYS 4 11.608 2.619 -4.776
44 HZ3 LYS 4 3HZ LYS 4 11.613 4.123 -4.002
45 H PHE 5 H PHE 5 7.183 1.478 -9.659
46 HA PHE 5 HA PHE 5 6.673 2.283 -12.406
47 HB2 PHE 5 2HB PHE 5 7.535 -0.363 -11.222
48 HB3 PHE 5 3HB PHE 5 7.344 -0.056 -12.945
49 HD1 PHE 5 HD1 PHE 5 9.706 -0.415 -10.523
50 HD2 PHE 5 HD2 PHE 5 8.607 2.305 -13.607
51 HE1 PHE 5 HE1 PHE 5 12.026 0.399 -10.627
52 HE2 PHE 5 HE2 PHE 5 10.924 3.123 -13.716
53 HZ PHE 5 HZ PHE 5 12.638 2.170 -12.226
54 H ASN 6 H ASN 6 5.198 0.393 -9.854
55 HA ASN 6 HA ASN 6 3.309 -1.057 -11.249
56 HB2 ASN 6 2HB ASN 6 3.574 -0.028 -8.505
57 HB3 ASN 6 3HB ASN 6 1.914 -0.331 -9.010
58 HD21 ASN 6 1HD2 ASN 6 1.253 -2.233 -8.353
59 HD22 ASN 6 2HD2 ASN 6 2.187 -3.686 -8.322
60 HA PRO 7 HA PRO 7 0.351 1.718 -12.922
61 HB2 PRO 7 2HB PRO 7 -1.994 0.435 -12.446
62 HB3 PRO 7 3HB PRO 7 -0.823 -0.119 -13.649
63 HG2 PRO 7 2HG PRO 7 -1.277 -1.098 -10.857
64 HG3 PRO 7 3HG PRO 7 -0.991 -2.031 -12.337
65 HD2 PRO 7 2HD PRO 7 0.958 -1.548 -10.521
66 HD3 PRO 7 3HD PRO 7 1.288 -1.696 -12.259
67 H THR 8 H THR 8 -0.278 0.615 -9.629
68 HA THR 8 HA THR 8 -2.277 2.432 -8.923
69 HB THR 8 HB THR 8 -1.453 0.437 -7.572
70 HG1 THR 8 HG1 THR 8 -2.823 1.449 -6.311
71 HG21 THR 8 1HG2 THR 8 0.528 2.471 -6.543
72 HG22 THR 8 2HG2 THR 8 0.936 1.098 -7.573
73 HG23 THR 8 3HG2 THR 8 0.301 0.826 -5.951
74 H GLY 9 H GLY 9 1.059 2.939 -9.527
75 HA2 GLY 9 2HA GLY 9 1.729 5.065 -7.897
76 HA3 GLY 9 3HA GLY 9 2.319 4.860 -9.540
77 H THR 10 H THR 10 -0.109 5.140 -10.922
78 HA THR 10 HA THR 10 -0.319 7.997 -10.952
79 HB THR 10 HB THR 10 -1.953 5.960 -12.478
80 HG1 THR 10 HG1 THR 10 0.024 5.671 -13.284
81 HG21 THR 10 1HG2 THR 10 -2.339 8.707 -12.204
82 HG22 THR 10 2HG2 THR 10 -3.029 7.661 -13.445
83 HG23 THR 10 3HG2 THR 10 -1.520 8.520 -13.754
84 H ILE 11 H ILE 11 -2.620 5.361 -10.280
85 HA ILE 11 HA ILE 11 -4.841 6.898 -9.658
86 HB ILE 11 HB ILE 11 -4.016 4.267 -8.426
87 HG12 ILE 11 2HG1 ILE 11 -6.070 3.800 -10.204
88 HG13 ILE 11 3HG1 ILE 11 -5.129 5.043 -11.023
89 HG21 ILE 11 1HG2 ILE 11 -5.696 5.364 -7.065
90 HG22 ILE 11 2HG2 ILE 11 -6.703 5.632 -8.487
91 HG23 ILE 11 3HG2 ILE 11 -6.405 3.991 -7.914
92 HD11 ILE 11 1HD1 ILE 11 -4.388 2.256 -10.316
93 HD12 ILE 11 2HD1 ILE 11 -4.120 3.157 -11.808
94 HD13 ILE 11 3HD1 ILE 11 -3.121 3.480 -10.391
95 H VAL 12 H VAL 12 -2.434 5.576 -7.380
96 HA VAL 12 HA VAL 12 -3.418 6.709 -5.052
97 HB VAL 12 HB VAL 12 -0.539 6.179 -5.798
98 HG11 VAL 12 1HG1 VAL 12 -0.130 6.147 -3.363
99 HG12 VAL 12 2HG1 VAL 12 -0.619 7.738 -3.951
100 HG13 VAL 12 3HG1 VAL 12 -1.779 6.716 -3.102
101 HG21 VAL 12 1HG2 VAL 12 -2.121 4.469 -3.950
102 HG22 VAL 12 2HG2 VAL 12 -2.419 4.328 -5.682
103 HG23 VAL 12 3HG2 VAL 12 -0.803 4.037 -5.039
104 H LYS 13 H LYS 13 -1.541 8.158 -7.616
105 HA LYS 13 HA LYS 13 -0.876 10.534 -6.152
106 HB2 LYS 13 2HB LYS 13 0.521 10.871 -7.862
107 HB3 LYS 13 3HB LYS 13 -0.052 9.358 -8.551
108 HG2 LYS 13 2HG LYS 13 -1.781 10.572 -9.780
109 HG3 LYS 13 3HG LYS 13 -1.200 12.090 -9.092
110 HD2 LYS 13 2HD LYS 13 0.702 10.312 -10.557
111 HD3 LYS 13 3HD LYS 13 -0.414 11.331 -11.469
112 HE2 LYS 13 2HE LYS 13 1.097 12.956 -11.247
113 HE3 LYS 13 3HE LYS 13 0.610 13.038 -9.555
114 HZ1 LYS 13 1HZ LYS 13 2.432 11.849 -8.877
115 HZ2 LYS 13 2HZ LYS 13 3.091 12.708 -10.177
116 HZ3 LYS 13 3HZ LYS 13 2.650 11.087 -10.372
117 H LYS 14 H LYS 14 -3.436 9.533 -8.327
118 HA LYS 14 HA LYS 14 -4.537 12.168 -8.631
119 HB2 LYS 14 2HB LYS 14 -5.659 9.433 -9.261
120 HB3 LYS 14 3HB LYS 14 -6.463 10.945 -9.660
121 HG2 LYS 14 2HG LYS 14 -3.816 9.977 -10.713
122 HG3 LYS 14 3HG LYS 14 -5.335 10.106 -11.603
123 HD2 LYS 14 2HD LYS 14 -5.299 12.553 -11.222
124 HD3 LYS 14 3HD LYS 14 -3.725 12.380 -10.443
125 HE2 LYS 14 2HE LYS 14 -3.320 13.043 -12.688
126 HE3 LYS 14 3HE LYS 14 -2.900 11.335 -12.573
127 HZ1 LYS 14 1HZ LYS 14 -4.842 12.597 -14.219
128 HZ2 LYS 14 2HZ LYS 14 -5.558 11.390 -13.275
129 HZ3 LYS 14 3HZ LYS 14 -4.253 11.012 -14.283
130 H LEU 15 H LEU 15 -5.475 9.252 -6.822
131 HA LEU 15 HA LEU 15 -7.776 10.255 -5.621
132 HB2 LEU 15 2HB LEU 15 -5.806 8.136 -4.901
133 HB3 LEU 15 3HB LEU 15 -7.035 8.598 -3.725
134 HG LEU 15 HG LEU 15 -7.498 6.575 -5.222
135 HD11 LEU 15 1HD1 LEU 15 -9.915 7.565 -5.650
136 HD12 LEU 15 2HD1 LEU 15 -9.304 8.845 -4.601
137 HD13 LEU 15 3HD1 LEU 15 -9.338 7.177 -4.029
138 HD21 LEU 15 1HD2 LEU 15 -8.089 8.776 -7.198
139 HD22 LEU 15 2HD2 LEU 15 -8.447 7.062 -7.406
140 HD23 LEU 15 3HD2 LEU 15 -6.772 7.610 -7.325
141 H THR 16 H THR 16 -4.408 10.712 -4.806
142 HA THR 16 HA THR 16 -4.883 11.844 -2.223
143 HB THR 16 HB THR 16 -2.445 12.028 -4.005
144 HG1 THR 16 HG1 THR 16 -3.113 10.314 -1.826
145 HG21 THR 16 1HG2 THR 16 -1.716 13.562 -2.554
146 HG22 THR 16 2HG2 THR 16 -1.687 12.285 -1.338
147 HG23 THR 16 3HG2 THR 16 -3.107 13.318 -1.499
148 H GLN 17 H GLN 17 -4.730 13.071 -5.480
149 HA GLN 17 HA GLN 17 -4.227 15.763 -5.031
150 HB2 GLN 17 2HB GLN 17 -4.866 14.231 -7.216
151 HB3 GLN 17 3HB GLN 17 -6.289 15.252 -7.055
152 HG2 GLN 17 2HG GLN 17 -5.222 17.026 -7.850
153 HG3 GLN 17 3HG GLN 17 -3.843 16.770 -6.781
154 HE21 GLN 17 1HE2 GLN 17 -2.086 16.813 -7.988
155 HE22 GLN 17 2HE2 GLN 17 -1.851 15.957 -9.469
156 H TYR 18 H TYR 18 -7.057 13.891 -4.349
157 HA TYR 18 HA TYR 18 -8.670 16.284 -3.881
158 HB2 TYR 18 2HB TYR 18 -9.401 13.352 -3.739
159 HB3 TYR 18 3HB TYR 18 -10.523 14.687 -3.501
160 HD1 TYR 18 HD1 TYR 18 -8.200 13.213 -6.009
161 HD2 TYR 18 HD2 TYR 18 -11.642 15.619 -5.327
162 HE1 TYR 18 HE1 TYR 18 -8.631 13.272 -8.430
163 HE2 TYR 18 HE2 TYR 18 -12.083 15.684 -7.746
164 HH TYR 18 HH TYR 18 -10.677 15.431 -9.880
165 H GLU 19 H GLU 19 -6.957 13.782 -2.183
166 HA GLU 19 HA GLU 19 -8.192 14.201 0.357
167 HB2 GLU 19 2HB GLU 19 -5.542 12.927 -0.346
168 HB3 GLU 19 3HB GLU 19 -6.306 12.862 1.236
169 HG2 GLU 19 2HG GLU 19 -7.617 11.812 -1.253
170 HG3 GLU 19 3HG GLU 19 -6.581 10.829 -0.220
171 H ILE 20 H ILE 20 -5.330 15.460 -1.260
172 HA ILE 20 HA ILE 20 -4.047 16.704 0.852
173 HB ILE 20 HB ILE 20 -4.298 17.738 -1.975
174 HG12 ILE 20 2HG1 ILE 20 -1.846 16.362 -1.061
175 HG13 ILE 20 3HG1 ILE 20 -3.269 15.340 -1.231
176 HG21 ILE 20 1HG2 ILE 20 -3.129 19.493 -1.280
177 HG22 ILE 20 2HG2 ILE 20 -3.024 18.826 0.348
178 HG23 ILE 20 3HG2 ILE 20 -1.809 18.403 -0.858
179 HD11 ILE 20 1HD1 ILE 20 -1.567 16.525 -3.261
180 HD12 ILE 20 2HD1 ILE 20 -2.682 15.162 -3.365
181 HD13 ILE 20 3HD1 ILE 20 -3.284 16.810 -3.549
182 H ALA 21 H ALA 21 -6.910 17.687 -0.903
183 HA ALA 21 HA ALA 21 -7.107 20.358 -0.251
184 HB1 ALA 21 1HB ALA 21 -9.020 20.108 -1.342
185 HB2 ALA 21 2HB ALA 21 -8.836 18.355 -1.260
186 HB3 ALA 21 3HB ALA 21 -9.696 19.213 0.019
187 H TRP 22 H TRP 22 -8.101 17.557 1.691
188 HA TRP 22 HA TRP 22 -9.312 18.849 3.808
189 HB2 TRP 22 2HB TRP 22 -9.325 16.432 3.621
190 HB3 TRP 22 3HB TRP 22 -7.579 16.371 3.848
191 HD1 TRP 22 HD1 TRP 22 -6.661 16.938 6.352
192 HE1 TRP 22 HE1 TRP 22 -7.792 16.651 8.646
193 HE3 TRP 22 HE3 TRP 22 -11.519 16.517 4.816
194 HZ2 TRP 22 HZ2 TRP 22 -10.398 16.293 9.669
195 HZ3 TRP 22 HZ3 TRP 22 -13.270 16.204 6.515
196 HH2 TRP 22 HH2 TRP 22 -12.719 16.094 8.891
197 H PHE 23 H PHE 23 -5.862 18.198 3.313
198 HA PHE 23 HA PHE 23 -5.085 19.422 5.787
199 HB2 PHE 23 2HB PHE 23 -3.579 17.787 5.056
200 HB3 PHE 23 3HB PHE 23 -3.606 18.369 3.395
201 HD1 PHE 23 HD1 PHE 23 -2.055 19.963 2.639
202 HD2 PHE 23 HD2 PHE 23 -2.386 19.127 6.800
203 HE1 PHE 23 HE1 PHE 23 -0.005 21.258 3.059
204 HE2 PHE 23 HE2 PHE 23 -0.337 20.422 7.226
205 HZ PHE 23 HZ PHE 23 0.855 21.490 5.355
206 H LYS 24 H LYS 24 -5.515 20.469 2.495
207 HA LYS 24 HA LYS 24 -4.011 22.838 2.558
208 HB2 LYS 24 2HB LYS 24 -4.881 21.869 0.483
209 HB3 LYS 24 3HB LYS 24 -6.526 22.215 0.999
210 HG2 LYS 24 2HG LYS 24 -6.194 24.007 -0.343
211 HG3 LYS 24 3HG LYS 24 -5.556 24.677 1.160
212 HD2 LYS 24 2HD LYS 24 -3.287 23.805 0.395
213 HD3 LYS 24 3HD LYS 24 -4.035 23.564 -1.185
214 HE2 LYS 24 2HE LYS 24 -4.066 26.197 0.276
215 HE3 LYS 24 3HE LYS 24 -2.805 25.744 -0.869
216 HZ1 LYS 24 1HZ LYS 24 -5.705 25.965 -1.471
217 HZ2 LYS 24 2HZ LYS 24 -4.513 25.489 -2.573
218 HZ3 LYS 24 3HZ LYS 24 -4.505 27.060 -1.945
219 H ASN 25 H ASN 25 -7.167 22.052 3.808
220 HA ASN 25 HA ASN 25 -7.952 24.787 4.236
221 HB2 ASN 25 2HB ASN 25 -9.108 22.154 5.161
222 HB3 ASN 25 3HB ASN 25 -9.812 23.713 5.577
223 HD21 ASN 25 1HD2 ASN 25 -9.749 21.221 3.353
224 HD22 ASN 25 2HD2 ASN 25 -10.613 21.991 2.071
225 H LYS 26 H LYS 26 -5.875 22.655 5.791
226 HA LYS 26 HA LYS 26 -6.285 23.802 8.444
227 HB2 LYS 26 2HB LYS 26 -4.187 21.784 7.664
228 HB3 LYS 26 3HB LYS 26 -4.833 22.111 9.266
229 HG2 LYS 26 2HG LYS 26 -6.415 20.927 6.995
230 HG3 LYS 26 3HG LYS 26 -5.648 19.998 8.285
231 HD2 LYS 26 2HD LYS 26 -7.088 20.857 9.916
232 HD3 LYS 26 3HD LYS 26 -7.581 22.211 8.897
233 HE2 LYS 26 2HE LYS 26 -8.957 20.866 7.575
234 HE3 LYS 26 3HE LYS 26 -8.168 19.380 8.102
235 HZ1 LYS 26 1HZ LYS 26 -10.026 19.269 9.363
236 HZ2 LYS 26 2HZ LYS 26 -10.251 20.944 9.414
237 HZ3 LYS 26 3HZ LYS 26 -9.099 20.215 10.416
238 H HIS 27 H HIS 27 -4.054 23.901 5.761
239 HA HIS 27 HA HIS 27 -2.657 26.121 7.062
240 HB2 HIS 27 2HB HIS 27 -1.218 23.854 5.669
241 HB3 HIS 27 3HB HIS 27 -0.472 25.270 6.403
242 HD1 HIS 27 HD1 HIS 27 -2.298 22.104 7.337
243 HD2 HIS 27 HD2 HIS 27 -0.000 25.079 9.108
244 HE1 HIS 27 HE1 HIS 27 -1.828 21.292 9.671
245 H GLY 28 H GLY 28 -3.065 24.243 4.070
246 HA2 GLY 28 2HA GLY 28 -3.811 25.232 2.036
247 HA3 GLY 28 3HA GLY 28 -3.198 26.780 2.598
248 H TYR 29 H TYR 29 -1.293 23.876 2.868
249 HA TYR 29 HA TYR 29 0.378 24.795 0.623
250 HB2 TYR 29 2HB TYR 29 1.200 23.937 3.387
251 HB3 TYR 29 3HB TYR 29 2.317 23.828 2.031
252 HD1 TYR 29 HD1 TYR 29 0.051 26.285 3.700
253 HD2 TYR 29 HD2 TYR 29 3.671 25.644 1.558
254 HE1 TYR 29 HE1 TYR 29 0.647 28.652 4.009
255 HE2 TYR 29 HE2 TYR 29 4.277 28.008 1.862
256 HH TYR 29 HH TYR 29 3.761 29.862 3.366
257 H TYR 30 H TYR 30 2.195 22.837 0.444
258 HA TYR 30 HA TYR 30 0.835 20.261 0.464
259 HB2 TYR 30 2HB TYR 30 2.124 21.120 -2.104
260 HB3 TYR 30 3HB TYR 30 0.927 19.859 -1.829
261 HD1 TYR 30 HD1 TYR 30 1.422 23.513 -2.078
262 HD2 TYR 30 HD2 TYR 30 -1.401 20.333 -1.931
263 HE1 TYR 30 HE1 TYR 30 -0.361 25.073 -2.740
264 HE2 TYR 30 HE2 TYR 30 -3.191 21.884 -2.594
265 HH TYR 30 HH TYR 30 -2.703 24.783 -3.956
266 HA PRO 31 HA PRO 31 5.529 19.634 -0.503
267 HB2 PRO 31 2HB PRO 31 7.065 21.863 -0.710
268 HB3 PRO 31 3HB PRO 31 6.239 21.133 -2.092
269 HG2 PRO 31 2HG PRO 31 5.427 23.484 -0.426
270 HG3 PRO 31 3HG PRO 31 5.364 23.285 -2.187
271 HD2 PRO 31 2HD PRO 31 3.183 22.993 -0.609
272 HD3 PRO 31 3HD PRO 31 3.410 22.066 -2.105
273 H TRP 32 H TRP 32 7.758 20.585 0.642
274 HA TRP 32 HA TRP 32 7.128 20.433 3.456
275 HB2 TRP 32 2HB TRP 32 9.385 19.954 3.804
276 HB3 TRP 32 3HB TRP 32 9.087 19.283 2.202
277 HD1 TRP 32 HD1 TRP 32 11.128 21.899 4.005
278 HE1 TRP 32 HE1 TRP 32 12.744 23.015 2.342
279 HE3 TRP 32 HE3 TRP 32 9.267 19.974 -0.350
280 HZ2 TRP 32 HZ2 TRP 32 13.173 23.072 -0.448
281 HZ3 TRP 32 HZ3 TRP 32 10.337 20.610 -2.472
282 HH2 TRP 32 HH2 TRP 32 12.249 22.127 -2.518
283 H GLU 33 H GLU 33 7.032 22.918 1.406
284 HA GLU 33 HA GLU 33 8.470 24.873 2.996
285 HB2 GLU 33 2HB GLU 33 6.626 25.424 0.674
286 HB3 GLU 33 3HB GLU 33 7.905 26.454 1.303
287 HG2 GLU 33 2HG GLU 33 9.591 24.952 0.500
288 HG3 GLU 33 3HG GLU 33 8.371 23.776 0.014
289 H ILE 34 H ILE 34 6.612 23.677 4.573
290 HA ILE 34 HA ILE 34 4.274 25.430 4.659
291 HB ILE 34 HB ILE 34 4.928 23.012 6.347
292 HG12 ILE 34 2HG1 ILE 34 2.722 23.064 4.342
293 HG13 ILE 34 3HG1 ILE 34 4.369 22.888 3.747
294 HG21 ILE 34 1HG2 ILE 34 2.643 23.130 7.118
295 HG22 ILE 34 2HG2 ILE 34 3.455 24.659 7.449
296 HG23 ILE 34 3HG2 ILE 34 2.336 24.530 6.092
297 HD11 ILE 34 1HD1 ILE 34 4.664 20.916 5.149
298 HD12 ILE 34 2HD1 ILE 34 3.012 21.092 5.743
299 HD13 ILE 34 3HD1 ILE 34 3.304 20.731 4.042
300 HA PRO 35 HA PRO 35 6.128 27.991 7.752
301 HB2 PRO 35 2HB PRO 35 3.870 29.275 8.541
302 HB3 PRO 35 3HB PRO 35 4.696 29.631 7.019
303 HG2 PRO 35 2HG PRO 35 2.284 27.927 7.512
304 HG3 PRO 35 3HG PRO 35 2.578 29.103 6.217
305 HD2 PRO 35 2HD PRO 35 2.849 26.434 5.850
306 HD3 PRO 35 3HD PRO 35 3.848 27.623 4.989
307 H ARG 36 H ARG 36 5.177 28.786 10.079
308 HA ARG 36 HA ARG 36 4.543 26.299 11.527
309 HB2 ARG 36 2HB ARG 36 5.718 27.344 13.464
310 HB3 ARG 36 3HB ARG 36 6.762 27.030 12.085
311 HG2 ARG 36 2HG ARG 36 5.519 29.714 12.282
312 HG3 ARG 36 3HG ARG 36 6.817 29.319 13.410
313 HD2 ARG 36 2HD ARG 36 8.304 29.748 11.820
314 HD3 ARG 36 3HD ARG 36 7.633 28.433 10.856
315 HE ARG 36 HE ARG 36 6.066 30.770 10.567
316 HH11 ARG 36 1HH1 ARG 36 9.113 29.378 9.619
317 HH12 ARG 36 2HH1 ARG 36 9.215 30.282 8.144
318 HH21 ARG 36 1HH2 ARG 36 6.189 31.965 8.628
319 HH22 ARG 36 2HH2 ARG 36 7.552 31.753 7.582
320 H CYS 37 H CYS 37 3.515 26.742 13.720
321 HA CYS 37 HA CYS 37 1.249 28.522 13.282
322 HB2 CYS 37 2HB CYS 37 1.766 26.105 14.901
323 HB3 CYS 37 3HB CYS 37 0.707 27.297 15.643
324 HG CYS 37 HG CYS 37 -1.188 27.267 13.629
Start of MODEL 14
1 H MET 1 H MET 1 5.973 -2.464 -0.376
2 HA MET 1 HA MET 1 4.065 -0.889 -0.594
3 HB2 MET 1 2HB MET 1 5.942 -1.000 1.509
4 HB3 MET 1 3HB MET 1 5.572 0.703 1.268
5 HG2 MET 1 2HG MET 1 3.127 0.024 1.351
6 HG3 MET 1 3HG MET 1 3.694 -1.531 1.953
7 HE1 MET 1 1HE MET 1 2.105 0.576 4.931
8 HE2 MET 1 2HE MET 1 1.649 0.002 3.326
9 HE3 MET 1 3HE MET 1 2.290 -1.129 4.519
10 H LYS 2 H LYS 2 3.383 0.857 -1.653
11 HA LYS 2 HA LYS 2 3.390 2.736 -2.936
12 HB2 LYS 2 2HB LYS 2 5.559 3.389 -0.949
13 HB3 LYS 2 3HB LYS 2 5.043 4.536 -2.178
14 HG2 LYS 2 2HG LYS 2 2.825 3.396 -0.675
15 HG3 LYS 2 3HG LYS 2 3.976 4.278 0.332
16 HD2 LYS 2 2HD LYS 2 3.800 6.115 -1.473
17 HD3 LYS 2 3HD LYS 2 2.333 5.270 -1.973
18 HE2 LYS 2 2HE LYS 2 1.647 6.960 -0.467
19 HE3 LYS 2 3HE LYS 2 1.564 5.441 0.424
20 HZ1 LYS 2 1HZ LYS 2 3.104 7.759 0.979
21 HZ2 LYS 2 2HZ LYS 2 4.109 6.407 0.834
22 HZ3 LYS 2 3HZ LYS 2 2.836 6.398 1.948
23 H PHE 3 H PHE 3 4.131 1.275 -4.683
24 HA PHE 3 HA PHE 3 6.912 1.343 -5.420
25 HB2 PHE 3 2HB PHE 3 4.425 0.166 -6.597
26 HB3 PHE 3 3HB PHE 3 5.856 0.332 -7.608
27 HD1 PHE 3 HD1 PHE 3 5.286 -0.686 -4.062
28 HD2 PHE 3 HD2 PHE 3 6.934 -1.671 -7.860
29 HE1 PHE 3 HE1 PHE 3 6.181 -2.778 -3.127
30 HE2 PHE 3 HE2 PHE 3 7.831 -3.766 -6.932
31 HZ PHE 3 HZ PHE 3 7.455 -4.322 -4.562
32 H LYS 4 H LYS 4 7.455 1.970 -7.754
33 HA LYS 4 HA LYS 4 6.207 4.575 -8.340
34 HB2 LYS 4 2HB LYS 4 9.036 3.761 -9.011
35 HB3 LYS 4 3HB LYS 4 8.330 5.368 -9.129
36 HG2 LYS 4 2HG LYS 4 9.342 5.691 -7.158
37 HG3 LYS 4 3HG LYS 4 7.938 4.844 -6.507
38 HD2 LYS 4 2HD LYS 4 9.665 3.669 -5.535
39 HD3 LYS 4 3HD LYS 4 9.372 2.710 -6.987
40 HE2 LYS 4 2HE LYS 4 11.236 3.670 -8.099
41 HE3 LYS 4 3HE LYS 4 11.420 4.911 -6.861
42 HZ1 LYS 4 1HZ LYS 4 12.988 2.907 -6.820
43 HZ2 LYS 4 2HZ LYS 4 11.676 2.052 -6.181
44 HZ3 LYS 4 3HZ LYS 4 12.290 3.397 -5.359
45 H PHE 5 H PHE 5 7.346 1.541 -9.630
46 HA PHE 5 HA PHE 5 6.808 2.328 -12.372
47 HB2 PHE 5 2HB PHE 5 7.647 -0.344 -11.227
48 HB3 PHE 5 3HB PHE 5 7.556 0.051 -12.940
49 HD1 PHE 5 HD1 PHE 5 8.981 2.105 -13.695
50 HD2 PHE 5 HD2 PHE 5 9.652 -0.111 -10.123
51 HE1 PHE 5 HE1 PHE 5 11.303 2.916 -13.632
52 HE2 PHE 5 HE2 PHE 5 11.975 0.698 -10.054
53 HZ PHE 5 HZ PHE 5 12.803 2.214 -11.809
54 H ASN 6 H ASN 6 5.352 0.429 -9.817
55 HA ASN 6 HA ASN 6 3.484 -1.052 -11.207
56 HB2 ASN 6 2HB ASN 6 3.716 0.012 -8.469
57 HB3 ASN 6 3HB ASN 6 2.069 -0.344 -8.982
58 HD21 ASN 6 1HD2 ASN 6 1.519 -2.213 -8.126
59 HD22 ASN 6 2HD2 ASN 6 2.470 -3.656 -8.143
60 HA PRO 7 HA PRO 7 0.497 1.674 -12.908
61 HB2 PRO 7 2HB PRO 7 -1.833 0.366 -12.430
62 HB3 PRO 7 3HB PRO 7 -0.652 -0.181 -13.625
63 HG2 PRO 7 2HG PRO 7 -1.102 -1.147 -10.828
64 HG3 PRO 7 3HG PRO 7 -0.800 -2.087 -12.301
65 HD2 PRO 7 2HD PRO 7 1.138 -1.567 -10.482
66 HD3 PRO 7 3HD PRO 7 1.474 -1.723 -12.219
67 H THR 8 H THR 8 -0.130 0.586 -9.610
68 HA THR 8 HA THR 8 -2.153 2.384 -8.923
69 HB THR 8 HB THR 8 -1.312 0.407 -7.556
70 HG1 THR 8 HG1 THR 8 -2.835 1.959 -6.757
71 HG21 THR 8 1HG2 THR 8 0.643 2.469 -6.532
72 HG22 THR 8 2HG2 THR 8 1.070 1.095 -7.551
73 HG23 THR 8 3HG2 THR 8 0.431 0.826 -5.930
74 H GLY 9 H GLY 9 1.179 2.925 -9.516
75 HA2 GLY 9 2HA GLY 9 1.819 5.069 -7.897
76 HA3 GLY 9 3HA GLY 9 2.418 4.860 -9.536
77 H THR 10 H THR 10 -0.007 5.104 -10.931
78 HA THR 10 HA THR 10 -0.249 7.958 -10.979
79 HB THR 10 HB THR 10 -1.853 5.892 -12.500
80 HG1 THR 10 HG1 THR 10 0.595 7.224 -13.052
81 HG21 THR 10 1HG2 THR 10 -1.447 8.447 -13.792
82 HG22 THR 10 2HG2 THR 10 -2.270 8.638 -12.244
83 HG23 THR 10 3HG2 THR 10 -2.946 7.575 -13.477
84 H ILE 11 H ILE 11 -2.523 5.300 -10.300
85 HA ILE 11 HA ILE 11 -4.764 6.816 -9.697
86 HB ILE 11 HB ILE 11 -3.913 4.202 -8.445
87 HG12 ILE 11 2HG1 ILE 11 -5.955 3.700 -10.227
88 HG13 ILE 11 3HG1 ILE 11 -5.028 4.950 -11.050
89 HG21 ILE 11 1HG2 ILE 11 -5.609 5.288 -7.096
90 HG22 ILE 11 2HG2 ILE 11 -6.615 5.538 -8.522
91 HG23 ILE 11 3HG2 ILE 11 -6.301 3.903 -7.940
92 HD11 ILE 11 1HD1 ILE 11 -4.257 2.176 -10.330
93 HD12 ILE 11 2HD1 ILE 11 -3.989 3.077 -11.823
94 HD13 ILE 11 3HD1 ILE 11 -3.003 3.414 -10.400
95 H VAL 12 H VAL 12 -2.351 5.537 -7.400
96 HA VAL 12 HA VAL 12 -3.357 6.673 -5.084
97 HB VAL 12 HB VAL 12 -0.470 6.171 -5.815
98 HG11 VAL 12 1HG1 VAL 12 -1.728 6.713 -3.128
99 HG12 VAL 12 2HG1 VAL 12 -0.070 6.160 -3.377
100 HG13 VAL 12 3HG1 VAL 12 -0.574 7.740 -3.979
101 HG21 VAL 12 1HG2 VAL 12 -2.639 4.425 -5.240
102 HG22 VAL 12 2HG2 VAL 12 -0.952 4.019 -5.554
103 HG23 VAL 12 3HG2 VAL 12 -1.489 4.341 -3.906
104 H LYS 13 H LYS 13 -1.487 8.127 -7.650
105 HA LYS 13 HA LYS 13 -0.854 10.519 -6.198
106 HB2 LYS 13 2HB LYS 13 0.546 10.861 -7.905
107 HB3 LYS 13 3HB LYS 13 -0.007 9.337 -8.586
108 HG2 LYS 13 2HG LYS 13 -1.745 10.524 -9.830
109 HG3 LYS 13 3HG LYS 13 -1.183 12.053 -9.149
110 HD2 LYS 13 2HD LYS 13 0.527 10.200 -10.804
111 HD3 LYS 13 3HD LYS 13 -0.343 11.591 -11.452
112 HE2 LYS 13 2HE LYS 13 1.414 12.849 -10.933
113 HE3 LYS 13 3HE LYS 13 1.062 12.550 -9.231
114 HZ1 LYS 13 1HZ LYS 13 3.053 11.282 -10.968
115 HZ2 LYS 13 2HZ LYS 13 2.382 10.364 -9.716
116 HZ3 LYS 13 3HZ LYS 13 3.198 11.803 -9.365
117 H LYS 14 H LYS 14 -3.394 9.476 -8.377
118 HA LYS 14 HA LYS 14 -4.523 12.096 -8.702
119 HB2 LYS 14 2HB LYS 14 -5.611 9.345 -9.320
120 HB3 LYS 14 3HB LYS 14 -6.431 10.846 -9.731
121 HG2 LYS 14 2HG LYS 14 -3.768 9.900 -10.768
122 HG3 LYS 14 3HG LYS 14 -5.285 10.006 -11.665
123 HD2 LYS 14 2HD LYS 14 -5.278 12.457 -11.299
124 HD3 LYS 14 3HD LYS 14 -3.705 12.306 -10.513
125 HE2 LYS 14 2HE LYS 14 -2.629 12.152 -12.467
126 HE3 LYS 14 3HE LYS 14 -3.804 11.011 -13.120
127 HZ1 LYS 14 1HZ LYS 14 -3.858 13.959 -13.193
128 HZ2 LYS 14 2HZ LYS 14 -5.287 13.069 -13.357
129 HZ3 LYS 14 3HZ LYS 14 -4.029 12.862 -14.469
130 H LEU 15 H LEU 15 -5.436 9.181 -6.879
131 HA LEU 15 HA LEU 15 -7.753 10.166 -5.694
132 HB2 LEU 15 2HB LEU 15 -5.763 8.073 -4.953
133 HB3 LEU 15 3HB LEU 15 -7.002 8.528 -3.786
134 HG LEU 15 HG LEU 15 -7.437 6.491 -5.273
135 HD11 LEU 15 1HD1 LEU 15 -9.192 8.656 -4.437
136 HD12 LEU 15 2HD1 LEU 15 -9.384 6.911 -4.272
137 HD13 LEU 15 3HD1 LEU 15 -9.848 7.710 -5.774
138 HD21 LEU 15 1HD2 LEU 15 -8.044 8.675 -7.264
139 HD22 LEU 15 2HD2 LEU 15 -8.381 6.955 -7.464
140 HD23 LEU 15 3HD2 LEU 15 -6.713 7.523 -7.378
141 H THR 16 H THR 16 -4.393 10.663 -4.868
142 HA THR 16 HA THR 16 -4.889 11.803 -2.293
143 HB THR 16 HB THR 16 -2.450 12.004 -4.070
144 HG1 THR 16 HG1 THR 16 -3.087 10.309 -1.866
145 HG21 THR 16 1HG2 THR 16 -1.750 13.566 -2.634
146 HG22 THR 16 2HG2 THR 16 -1.691 12.297 -1.411
147 HG23 THR 16 3HG2 THR 16 -3.131 13.302 -1.571
148 H GLN 17 H GLN 17 -4.742 13.017 -5.555
149 HA GLN 17 HA GLN 17 -4.273 15.716 -5.118
150 HB2 GLN 17 2HB GLN 17 -4.656 14.314 -7.321
151 HB3 GLN 17 3HB GLN 17 -6.307 14.895 -7.146
152 HG2 GLN 17 2HG GLN 17 -5.769 16.888 -7.943
153 HG3 GLN 17 3HG GLN 17 -4.430 17.048 -6.807
154 HE21 GLN 17 1HE2 GLN 17 -2.375 16.625 -7.473
155 HE22 GLN 17 2HE2 GLN 17 -1.952 16.284 -9.113
156 H TYR 18 H TYR 18 -7.083 13.814 -4.434
157 HA TYR 18 HA TYR 18 -8.725 16.189 -3.982
158 HB2 TYR 18 2HB TYR 18 -9.420 13.249 -3.828
159 HB3 TYR 18 3HB TYR 18 -10.559 14.571 -3.597
160 HD1 TYR 18 HD1 TYR 18 -8.212 13.118 -6.095
161 HD2 TYR 18 HD2 TYR 18 -11.688 15.479 -5.429
162 HE1 TYR 18 HE1 TYR 18 -8.639 13.162 -8.517
163 HE2 TYR 18 HE2 TYR 18 -12.126 15.528 -7.849
164 HH TYR 18 HH TYR 18 -10.591 13.483 -10.036
165 H GLU 19 H GLU 19 -6.986 13.716 -2.267
166 HA GLU 19 HA GLU 19 -8.232 14.134 0.268
167 HB2 GLU 19 2HB GLU 19 -5.566 12.886 -0.422
168 HB3 GLU 19 3HB GLU 19 -6.334 12.820 1.158
169 HG2 GLU 19 2HG GLU 19 -7.623 11.743 -1.331
170 HG3 GLU 19 3HG GLU 19 -6.582 10.777 -0.287
171 H ILE 20 H ILE 20 -5.379 15.415 -1.348
172 HA ILE 20 HA ILE 20 -4.116 16.685 0.761
173 HB ILE 20 HB ILE 20 -4.369 17.700 -2.073
174 HG12 ILE 20 2HG1 ILE 20 -1.906 16.355 -1.142
175 HG13 ILE 20 3HG1 ILE 20 -3.317 15.317 -1.312
176 HG21 ILE 20 1HG2 ILE 20 -3.222 19.471 -1.384
177 HG22 ILE 20 2HG2 ILE 20 -3.114 18.815 0.248
178 HG23 ILE 20 3HG2 ILE 20 -1.891 18.398 -0.951
179 HD11 ILE 20 1HD1 ILE 20 -3.338 16.772 -3.638
180 HD12 ILE 20 2HD1 ILE 20 -1.620 16.507 -3.341
181 HD13 ILE 20 3HD1 ILE 20 -2.720 15.133 -3.442
182 H ALA 21 H ALA 21 -6.983 17.627 -1.010
183 HA ALA 21 HA ALA 21 -7.212 20.299 -0.373
184 HB1 ALA 21 1HB ALA 21 -9.652 18.603 -0.207
185 HB2 ALA 21 2HB ALA 21 -9.404 20.150 -1.016
186 HB3 ALA 21 3HB ALA 21 -8.766 18.670 -1.730
187 H TRP 22 H TRP 22 -8.184 17.499 1.580
188 HA TRP 22 HA TRP 22 -9.416 18.791 3.685
189 HB2 TRP 22 2HB TRP 22 -9.429 16.385 3.544
190 HB3 TRP 22 3HB TRP 22 -7.676 16.319 3.708
191 HD1 TRP 22 HD1 TRP 22 -6.664 16.862 6.174
192 HE1 TRP 22 HE1 TRP 22 -7.713 16.595 8.509
193 HE3 TRP 22 HE3 TRP 22 -11.582 16.518 4.820
194 HZ2 TRP 22 HZ2 TRP 22 -10.284 16.280 9.629
195 HZ3 TRP 22 HZ3 TRP 22 -13.273 16.235 6.584
196 HH2 TRP 22 HH2 TRP 22 -12.636 16.117 8.938
197 H PHE 23 H PHE 23 -5.958 18.172 3.207
198 HA PHE 23 HA PHE 23 -5.203 19.416 5.677
199 HB2 PHE 23 2HB PHE 23 -3.677 17.794 4.961
200 HB3 PHE 23 3HB PHE 23 -3.704 18.366 3.296
201 HD1 PHE 23 HD1 PHE 23 -2.167 19.972 2.537
202 HD2 PHE 23 HD2 PHE 23 -2.504 19.156 6.701
203 HE1 PHE 23 HE1 PHE 23 -0.133 21.291 2.956
204 HE2 PHE 23 HE2 PHE 23 -0.471 20.474 7.127
205 HZ PHE 23 HZ PHE 23 0.717 21.544 5.254
206 H LYS 24 H LYS 24 -5.632 20.442 2.378
207 HA LYS 24 HA LYS 24 -4.152 22.827 2.435
208 HB2 LYS 24 2HB LYS 24 -5.005 21.838 0.361
209 HB3 LYS 24 3HB LYS 24 -6.655 22.170 0.869
210 HG2 LYS 24 2HG LYS 24 -6.335 23.959 -0.481
211 HG3 LYS 24 3HG LYS 24 -5.709 24.643 1.021
212 HD2 LYS 24 2HD LYS 24 -3.429 23.790 0.269
213 HD3 LYS 24 3HD LYS 24 -4.169 23.532 -1.312
214 HE2 LYS 24 2HE LYS 24 -4.231 26.173 0.133
215 HE3 LYS 24 3HE LYS 24 -2.962 25.725 -1.006
216 HZ1 LYS 24 1HZ LYS 24 -4.460 26.874 -2.311
217 HZ2 LYS 24 2HZ LYS 24 -5.817 26.236 -1.527
218 HZ3 LYS 24 3HZ LYS 24 -4.920 25.269 -2.586
219 H ASN 25 H ASN 25 -7.304 22.014 3.677
220 HA ASN 25 HA ASN 25 -8.119 24.743 4.087
221 HB2 ASN 25 2HB ASN 25 -9.250 22.099 5.011
222 HB3 ASN 25 3HB ASN 25 -9.969 23.650 5.436
223 HD21 ASN 25 1HD2 ASN 25 -9.874 21.172 3.193
224 HD22 ASN 25 2HD2 ASN 25 -10.752 21.941 1.919
225 H LYS 26 H LYS 26 -6.026 22.642 5.662
226 HA LYS 26 HA LYS 26 -6.457 23.799 8.307
227 HB2 LYS 26 2HB LYS 26 -4.336 21.798 7.545
228 HB3 LYS 26 3HB LYS 26 -4.992 22.128 9.144
229 HG2 LYS 26 2HG LYS 26 -6.552 20.915 6.872
230 HG3 LYS 26 3HG LYS 26 -5.781 20.000 8.171
231 HD2 LYS 26 2HD LYS 26 -7.236 21.874 9.546
232 HD3 LYS 26 3HD LYS 26 -8.279 21.521 8.166
233 HE2 LYS 26 2HE LYS 26 -8.986 19.824 9.470
234 HE3 LYS 26 3HE LYS 26 -7.538 19.023 8.863
235 HZ1 LYS 26 1HZ LYS 26 -6.462 19.267 10.834
236 HZ2 LYS 26 2HZ LYS 26 -8.046 19.189 11.420
237 HZ3 LYS 26 3HZ LYS 26 -7.279 20.687 11.255
238 H HIS 27 H HIS 27 -4.218 23.906 5.631
239 HA HIS 27 HA HIS 27 -2.849 26.147 6.925
240 HB2 HIS 27 2HB HIS 27 -1.382 23.888 5.549
241 HB3 HIS 27 3HB HIS 27 -0.653 25.316 6.278
242 HD1 HIS 27 HD1 HIS 27 -2.449 22.136 7.224
243 HD2 HIS 27 HD2 HIS 27 -0.188 25.144 8.985
244 HE1 HIS 27 HE1 HIS 27 -1.979 21.341 9.563
245 H GLY 28 H GLY 28 -3.227 24.250 3.942
246 HA2 GLY 28 2HA GLY 28 -3.976 25.220 1.900
247 HA3 GLY 28 3HA GLY 28 -3.381 26.777 2.456
248 H TYR 29 H TYR 29 -1.447 23.896 2.748
249 HA TYR 29 HA TYR 29 0.223 24.820 0.504
250 HB2 TYR 29 2HB TYR 29 1.044 23.986 3.276
251 HB3 TYR 29 3HB TYR 29 2.166 23.881 1.924
252 HD1 TYR 29 HD1 TYR 29 3.504 25.708 1.446
253 HD2 TYR 29 HD2 TYR 29 -0.129 26.323 3.573
254 HE1 TYR 29 HE1 TYR 29 4.084 28.080 1.739
255 HE2 TYR 29 HE2 TYR 29 0.440 28.697 3.870
256 HH TYR 29 HH TYR 29 2.421 30.126 3.889
257 H TYR 30 H TYR 30 2.061 22.881 0.342
258 HA TYR 30 HA TYR 30 0.728 20.290 0.371
259 HB2 TYR 30 2HB TYR 30 2.017 21.149 -2.197
260 HB3 TYR 30 3HB TYR 30 0.832 19.877 -1.920
261 HD1 TYR 30 HD1 TYR 30 -1.500 20.324 -2.036
262 HD2 TYR 30 HD2 TYR 30 1.288 23.535 -2.186
263 HE1 TYR 30 HE1 TYR 30 -3.305 21.852 -2.713
264 HE2 TYR 30 HE2 TYR 30 -0.509 25.072 -2.862
265 HH TYR 30 HH TYR 30 -3.736 23.910 -3.609
266 HA PRO 31 HA PRO 31 5.432 19.708 -0.577
267 HB2 PRO 31 2HB PRO 31 6.945 21.952 -0.789
268 HB3 PRO 31 3HB PRO 31 6.132 21.207 -2.171
269 HG2 PRO 31 2HG PRO 31 5.289 23.557 -0.520
270 HG3 PRO 31 3HG PRO 31 5.234 23.349 -2.280
271 HD2 PRO 31 2HD PRO 31 3.051 23.042 -0.708
272 HD3 PRO 31 3HD PRO 31 3.293 22.109 -2.199
273 H TRP 32 H TRP 32 7.646 20.688 0.572
274 HA TRP 32 HA TRP 32 7.008 20.545 3.385
275 HB2 TRP 32 2HB TRP 32 9.268 20.090 3.742
276 HB3 TRP 32 3HB TRP 32 8.984 19.409 2.143
277 HD1 TRP 32 HD1 TRP 32 10.991 22.055 3.941
278 HE1 TRP 32 HE1 TRP 32 12.601 23.180 2.278
279 HE3 TRP 32 HE3 TRP 32 9.166 20.090 -0.412
280 HZ2 TRP 32 HZ2 TRP 32 13.039 23.229 -0.510
281 HZ3 TRP 32 HZ3 TRP 32 10.237 20.727 -2.533
282 HH2 TRP 32 HH2 TRP 32 12.133 22.265 -2.579
283 H GLU 33 H GLU 33 6.893 23.018 1.321
284 HA GLU 33 HA GLU 33 8.304 24.996 2.906
285 HB2 GLU 33 2HB GLU 33 6.464 25.515 0.574
286 HB3 GLU 33 3HB GLU 33 7.729 26.562 1.203
287 HG2 GLU 33 2HG GLU 33 9.435 25.074 0.414
288 HG3 GLU 33 3HG GLU 33 8.229 23.883 -0.070
289 H ILE 34 H ILE 34 6.453 23.788 4.482
290 HA ILE 34 HA ILE 34 4.097 25.517 4.551
291 HB ILE 34 HB ILE 34 4.770 23.114 6.254
292 HG12 ILE 34 2HG1 ILE 34 2.571 23.134 4.239
293 HG13 ILE 34 3HG1 ILE 34 4.223 22.970 3.653
294 HG21 ILE 34 1HG2 ILE 34 3.276 24.753 7.341
295 HG22 ILE 34 2HG2 ILE 34 2.164 24.604 5.981
296 HG23 ILE 34 3HG2 ILE 34 2.482 23.213 7.017
297 HD11 ILE 34 1HD1 ILE 34 3.046 21.194 5.769
298 HD12 ILE 34 2HD1 ILE 34 2.991 20.828 4.044
299 HD13 ILE 34 3HD1 ILE 34 4.545 20.966 4.868
300 HA PRO 35 HA PRO 35 5.913 28.113 7.637
301 HB2 PRO 35 2HB PRO 35 3.639 29.377 8.411
302 HB3 PRO 35 3HB PRO 35 4.466 29.734 6.891
303 HG2 PRO 35 2HG PRO 35 2.071 28.008 7.383
304 HG3 PRO 35 3HG PRO 35 2.357 29.180 6.084
305 HD2 PRO 35 2HD PRO 35 2.657 26.512 5.731
306 HD3 PRO 35 3HD PRO 35 3.647 27.707 4.868
307 H ARG 36 H ARG 36 4.948 28.909 9.957
308 HA ARG 36 HA ARG 36 4.002 26.530 11.397
309 HB2 ARG 36 2HB ARG 36 5.625 27.076 13.225
310 HB3 ARG 36 3HB ARG 36 6.372 26.511 11.737
311 HG2 ARG 36 2HG ARG 36 6.116 29.394 11.786
312 HG3 ARG 36 3HG ARG 36 7.035 28.783 13.163
313 HD2 ARG 36 2HD ARG 36 8.705 27.929 11.844
314 HD3 ARG 36 3HD ARG 36 7.641 27.705 10.457
315 HE ARG 36 HE ARG 36 8.244 29.780 9.739
316 HH11 ARG 36 1HH1 ARG 36 8.877 29.565 13.156
317 HH12 ARG 36 2HH1 ARG 36 9.627 31.124 13.247
318 HH21 ARG 36 1HH2 ARG 36 9.230 31.834 9.847
319 HH22 ARG 36 2HH2 ARG 36 9.827 32.414 11.365
320 H CYS 37 H CYS 37 3.714 27.305 13.863
321 HA CYS 37 HA CYS 37 1.505 29.006 13.881
322 HB2 CYS 37 2HB CYS 37 3.115 27.589 15.852
323 HB3 CYS 37 3HB CYS 37 2.507 29.120 16.470
324 HG CYS 37 HG CYS 37 0.833 26.303 15.706
Start of MODEL 15
1 H MET 1 H MET 1 1.322 -1.193 0.274
2 HA MET 1 HA MET 1 2.677 -0.979 -1.599
3 HB2 MET 1 2HB MET 1 0.325 0.714 -2.446
4 HB3 MET 1 3HB MET 1 1.361 -0.263 -3.478
5 HG2 MET 1 2HG MET 1 0.396 -2.091 -1.672
6 HG3 MET 1 3HG MET 1 -0.976 -1.015 -1.924
7 HE1 MET 1 1HE MET 1 -1.696 -4.135 -3.434
8 HE2 MET 1 2HE MET 1 -2.279 -2.727 -2.546
9 HE3 MET 1 3HE MET 1 -2.648 -2.903 -4.262
10 H LYS 2 H LYS 2 4.402 0.160 -2.183
11 HA LYS 2 HA LYS 2 4.267 3.057 -2.384
12 HB2 LYS 2 2HB LYS 2 6.245 1.678 -0.558
13 HB3 LYS 2 3HB LYS 2 6.247 3.391 -0.956
14 HG2 LYS 2 2HG LYS 2 3.992 3.574 0.068
15 HG3 LYS 2 3HG LYS 2 4.137 1.890 0.578
16 HD2 LYS 2 2HD LYS 2 6.108 2.441 1.896
17 HD3 LYS 2 3HD LYS 2 6.026 4.117 1.346
18 HE2 LYS 2 2HE LYS 2 4.281 4.621 2.710
19 HE3 LYS 2 3HE LYS 2 3.591 3.002 2.605
20 HZ1 LYS 2 1HZ LYS 2 6.136 3.286 4.006
21 HZ2 LYS 2 2HZ LYS 2 4.832 2.258 4.330
22 HZ3 LYS 2 3HZ LYS 2 4.758 3.887 4.782
23 H PHE 3 H PHE 3 4.459 2.055 -4.618
24 HA PHE 3 HA PHE 3 7.304 1.655 -5.277
25 HB2 PHE 3 2HB PHE 3 4.822 0.377 -6.356
26 HB3 PHE 3 3HB PHE 3 6.218 0.564 -7.412
27 HD1 PHE 3 HD1 PHE 3 5.736 -0.418 -3.841
28 HD2 PHE 3 HD2 PHE 3 7.395 -1.384 -7.640
29 HE1 PHE 3 HE1 PHE 3 6.723 -2.461 -2.888
30 HE2 PHE 3 HE2 PHE 3 8.383 -3.428 -6.693
31 HZ PHE 3 HZ PHE 3 8.047 -3.969 -4.314
32 H LYS 4 H LYS 4 7.774 2.255 -7.628
33 HA LYS 4 HA LYS 4 6.425 4.804 -8.238
34 HB2 LYS 4 2HB LYS 4 9.252 4.079 -9.001
35 HB3 LYS 4 3HB LYS 4 8.491 5.663 -9.070
36 HG2 LYS 4 2HG LYS 4 9.507 6.031 -7.122
37 HG3 LYS 4 3HG LYS 4 8.235 5.024 -6.427
38 HD2 LYS 4 2HD LYS 4 10.120 3.995 -5.598
39 HD3 LYS 4 3HD LYS 4 9.850 3.066 -7.075
40 HE2 LYS 4 2HE LYS 4 11.668 3.951 -8.124
41 HE3 LYS 4 3HE LYS 4 11.541 5.493 -7.280
42 HZ1 LYS 4 1HZ LYS 4 12.135 3.714 -5.308
43 HZ2 LYS 4 2HZ LYS 4 13.231 4.762 -6.056
44 HZ3 LYS 4 3HZ LYS 4 13.074 3.171 -6.607
45 H PHE 5 H PHE 5 7.628 1.780 -9.495
46 HA PHE 5 HA PHE 5 6.997 2.489 -12.239
47 HB2 PHE 5 2HB PHE 5 7.959 -0.115 -11.035
48 HB3 PHE 5 3HB PHE 5 7.771 0.195 -12.758
49 HD1 PHE 5 HD1 PHE 5 9.039 2.382 -13.588
50 HD2 PHE 5 HD2 PHE 5 10.052 0.108 -10.136
51 HE1 PHE 5 HE1 PHE 5 11.332 3.271 -13.680
52 HE2 PHE 5 HE2 PHE 5 12.346 0.993 -10.221
53 HZ PHE 5 HZ PHE 5 12.989 2.577 -11.994
54 H ASN 6 H ASN 6 5.655 0.610 -9.607
55 HA ASN 6 HA ASN 6 3.793 -0.949 -10.919
56 HB2 ASN 6 2HB ASN 6 4.062 0.180 -8.210
57 HB3 ASN 6 3HB ASN 6 2.415 -0.234 -8.675
58 HD21 ASN 6 1HD2 ASN 6 2.349 -1.897 -7.160
59 HD22 ASN 6 2HD2 ASN 6 3.183 -3.390 -7.405
60 HA PRO 7 HA PRO 7 0.694 1.663 -12.599
61 HB2 PRO 7 2HB PRO 7 -1.588 0.304 -12.036
62 HB3 PRO 7 3HB PRO 7 -0.422 -0.236 -13.250
63 HG2 PRO 7 2HG PRO 7 -0.777 -1.155 -10.423
64 HG3 PRO 7 3HG PRO 7 -0.487 -2.117 -11.884
65 HD2 PRO 7 2HD PRO 7 1.480 -1.509 -10.126
66 HD3 PRO 7 3HD PRO 7 1.778 -1.692 -11.867
67 H THR 8 H THR 8 0.179 0.627 -9.265
68 HA THR 8 HA THR 8 -1.875 2.385 -8.563
69 HB THR 8 HB THR 8 -0.945 0.461 -7.178
70 HG1 THR 8 HG1 THR 8 -2.493 1.939 -6.348
71 HG21 THR 8 1HG2 THR 8 0.977 2.596 -6.246
72 HG22 THR 8 2HG2 THR 8 1.416 1.213 -7.249
73 HG23 THR 8 3HG2 THR 8 0.826 0.960 -5.606
74 H GLY 9 H GLY 9 1.426 3.002 -9.252
75 HA2 GLY 9 2HA GLY 9 2.048 5.196 -7.694
76 HA3 GLY 9 3HA GLY 9 2.610 4.969 -9.344
77 H THR 10 H THR 10 0.145 5.118 -10.680
78 HA THR 10 HA THR 10 -0.176 7.963 -10.781
79 HB THR 10 HB THR 10 -1.762 5.824 -12.216
80 HG1 THR 10 HG1 THR 10 0.456 7.353 -13.149
81 HG21 THR 10 1HG2 THR 10 -2.922 7.457 -13.204
82 HG22 THR 10 2HG2 THR 10 -1.454 8.363 -13.569
83 HG23 THR 10 3HG2 THR 10 -2.247 8.561 -12.007
84 H ILE 11 H ILE 11 -2.358 5.261 -9.988
85 HA ILE 11 HA ILE 11 -4.624 6.729 -9.359
86 HB ILE 11 HB ILE 11 -3.671 4.166 -8.075
87 HG12 ILE 11 2HG1 ILE 11 -5.743 3.572 -9.794
88 HG13 ILE 11 3HG1 ILE 11 -4.870 4.828 -10.666
89 HG21 ILE 11 1HG2 ILE 11 -6.035 3.813 -7.502
90 HG22 ILE 11 2HG2 ILE 11 -5.363 5.235 -6.707
91 HG23 ILE 11 3HG2 ILE 11 -6.411 5.424 -8.112
92 HD11 ILE 11 1HD1 ILE 11 -2.789 3.360 -10.039
93 HD12 ILE 11 2HD1 ILE 11 -4.007 2.091 -9.908
94 HD13 ILE 11 3HD1 ILE 11 -3.803 2.965 -11.426
95 H VAL 12 H VAL 12 -2.120 5.563 -7.099
96 HA VAL 12 HA VAL 12 -3.097 6.722 -4.781
97 HB VAL 12 HB VAL 12 -0.217 6.281 -5.576
98 HG11 VAL 12 1HG1 VAL 12 -0.317 7.885 -3.772
99 HG12 VAL 12 2HG1 VAL 12 -1.419 6.845 -2.868
100 HG13 VAL 12 3HG1 VAL 12 0.245 6.333 -3.152
101 HG21 VAL 12 1HG2 VAL 12 -1.684 4.562 -3.645
102 HG22 VAL 12 2HG2 VAL 12 -2.028 4.366 -5.364
103 HG23 VAL 12 3HG2 VAL 12 -0.384 4.151 -4.764
104 H LYS 13 H LYS 13 -1.333 8.169 -7.424
105 HA LYS 13 HA LYS 13 -0.728 10.608 -6.040
106 HB2 LYS 13 2HB LYS 13 0.618 10.950 -7.789
107 HB3 LYS 13 3HB LYS 13 0.089 9.398 -8.424
108 HG2 LYS 13 2HG LYS 13 -1.711 10.512 -9.647
109 HG3 LYS 13 3HG LYS 13 -1.174 12.069 -9.012
110 HD2 LYS 13 2HD LYS 13 0.572 10.234 -10.647
111 HD3 LYS 13 3HD LYS 13 -0.389 11.545 -11.337
112 HE2 LYS 13 2HE LYS 13 1.710 11.890 -9.198
113 HE3 LYS 13 3HE LYS 13 1.979 12.161 -10.919
114 HZ1 LYS 13 1HZ LYS 13 0.158 13.662 -9.124
115 HZ2 LYS 13 2HZ LYS 13 0.143 13.825 -10.808
116 HZ3 LYS 13 3HZ LYS 13 1.525 14.248 -9.929
117 H LYS 14 H LYS 14 -3.294 9.452 -8.130
118 HA LYS 14 HA LYS 14 -4.501 12.034 -8.479
119 HB2 LYS 14 2HB LYS 14 -5.530 9.242 -9.012
120 HB3 LYS 14 3HB LYS 14 -6.400 10.712 -9.433
121 HG2 LYS 14 2HG LYS 14 -3.740 9.816 -10.518
122 HG3 LYS 14 3HG LYS 14 -5.281 9.863 -11.378
123 HD2 LYS 14 2HD LYS 14 -5.331 12.319 -11.064
124 HD3 LYS 14 3HD LYS 14 -3.736 12.227 -10.314
125 HE2 LYS 14 2HE LYS 14 -3.169 12.742 -12.478
126 HE3 LYS 14 3HE LYS 14 -3.104 10.981 -12.529
127 HZ1 LYS 14 1HZ LYS 14 -5.702 12.080 -13.121
128 HZ2 LYS 14 2HZ LYS 14 -4.820 10.887 -13.934
129 HZ3 LYS 14 3HZ LYS 14 -4.507 12.522 -14.234
130 H LEU 15 H LEU 15 -5.288 9.135 -6.574
131 HA LEU 15 HA LEU 15 -7.601 10.083 -5.350
132 HB2 LEU 15 2HB LEU 15 -5.538 8.058 -4.619
133 HB3 LEU 15 3HB LEU 15 -6.758 8.505 -3.429
134 HG LEU 15 HG LEU 15 -7.177 6.427 -4.862
135 HD11 LEU 15 1HD1 LEU 15 -9.105 6.826 -3.813
136 HD12 LEU 15 2HD1 LEU 15 -9.631 7.562 -5.327
137 HD13 LEU 15 3HD1 LEU 15 -8.971 8.570 -4.039
138 HD21 LEU 15 1HD2 LEU 15 -8.186 6.820 -7.037
139 HD22 LEU 15 2HD2 LEU 15 -6.531 7.428 -7.006
140 HD23 LEU 15 3HD2 LEU 15 -7.886 8.551 -6.883
141 H THR 16 H THR 16 -4.235 10.685 -4.621
142 HA THR 16 HA THR 16 -4.698 11.867 -2.058
143 HB THR 16 HB THR 16 -2.307 12.087 -3.896
144 HG1 THR 16 HG1 THR 16 -1.452 10.507 -2.445
145 HG21 THR 16 1HG2 THR 16 -1.473 12.459 -1.280
146 HG22 THR 16 2HG2 THR 16 -2.959 13.403 -1.389
147 HG23 THR 16 3HG2 THR 16 -1.635 13.710 -2.512
148 H GLN 17 H GLN 17 -4.657 13.012 -5.348
149 HA GLN 17 HA GLN 17 -4.244 15.730 -4.980
150 HB2 GLN 17 2HB GLN 17 -4.756 14.185 -7.126
151 HB3 GLN 17 3HB GLN 17 -6.325 14.958 -6.942
152 HG2 GLN 17 2HG GLN 17 -4.671 17.090 -6.722
153 HG3 GLN 17 3HG GLN 17 -3.765 16.067 -7.836
154 HE21 GLN 17 1HE2 GLN 17 -5.242 15.061 -9.578
155 HE22 GLN 17 2HE2 GLN 17 -6.318 16.165 -10.357
156 H TYR 18 H TYR 18 -6.990 13.777 -4.189
157 HA TYR 18 HA TYR 18 -8.678 16.122 -3.747
158 HB2 TYR 18 2HB TYR 18 -9.300 13.170 -3.515
159 HB3 TYR 18 3HB TYR 18 -10.464 14.471 -3.289
160 HD1 TYR 18 HD1 TYR 18 -8.141 13.012 -5.805
161 HD2 TYR 18 HD2 TYR 18 -11.651 15.316 -5.114
162 HE1 TYR 18 HE1 TYR 18 -8.622 12.991 -8.217
163 HE2 TYR 18 HE2 TYR 18 -12.142 15.301 -7.524
164 HH TYR 18 HH TYR 18 -10.406 14.969 -9.753
165 H GLU 19 H GLU 19 -6.840 13.728 -2.024
166 HA GLU 19 HA GLU 19 -8.038 14.169 0.531
167 HB2 GLU 19 2HB GLU 19 -5.357 12.973 -0.195
168 HB3 GLU 19 3HB GLU 19 -6.089 12.919 1.403
169 HG2 GLU 19 2HG GLU 19 -7.417 11.767 -1.030
170 HG3 GLU 19 3HG GLU 19 -6.313 10.844 -0.012
171 H ILE 20 H ILE 20 -5.257 15.486 -1.179
172 HA ILE 20 HA ILE 20 -3.977 16.830 0.873
173 HB ILE 20 HB ILE 20 -4.323 17.781 -1.973
174 HG12 ILE 20 2HG1 ILE 20 -1.805 16.517 -1.077
175 HG13 ILE 20 3HG1 ILE 20 -3.193 15.441 -1.191
176 HG21 ILE 20 1HG2 ILE 20 -1.837 18.562 -0.926
177 HG22 ILE 20 2HG2 ILE 20 -3.203 19.592 -1.350
178 HG23 ILE 20 3HG2 ILE 20 -3.042 18.975 0.294
179 HD11 ILE 20 1HD1 ILE 20 -1.574 16.625 -3.285
180 HD12 ILE 20 2HD1 ILE 20 -2.654 15.231 -3.334
181 HD13 ILE 20 3HD1 ILE 20 -3.302 16.857 -3.544
182 H ALA 21 H ALA 21 -6.909 17.665 -0.845
183 HA ALA 21 HA ALA 21 -7.190 20.342 -0.255
184 HB1 ALA 21 1HB ALA 21 -9.640 18.739 0.061
185 HB2 ALA 21 2HB ALA 21 -9.309 20.117 -0.990
186 HB3 ALA 21 3HB ALA 21 -8.759 18.505 -1.449
187 H TRP 22 H TRP 22 -8.043 17.559 1.776
188 HA TRP 22 HA TRP 22 -9.256 18.861 3.885
189 HB2 TRP 22 2HB TRP 22 -9.180 16.438 3.751
190 HB3 TRP 22 3HB TRP 22 -7.431 16.450 3.959
191 HD1 TRP 22 HD1 TRP 22 -6.529 17.232 6.442
192 HE1 TRP 22 HE1 TRP 22 -7.616 16.917 8.754
193 HE3 TRP 22 HE3 TRP 22 -11.335 16.311 4.962
194 HZ2 TRP 22 HZ2 TRP 22 -10.172 16.352 9.810
195 HZ3 TRP 22 HZ3 TRP 22 -13.040 15.892 6.685
196 HH2 TRP 22 HH2 TRP 22 -12.469 15.912 9.059
197 H PHE 23 H PHE 23 -5.796 18.320 3.334
198 HA PHE 23 HA PHE 23 -5.013 19.632 5.760
199 HB2 PHE 23 2HB PHE 23 -3.465 18.034 5.039
200 HB3 PHE 23 3HB PHE 23 -3.547 18.571 3.364
201 HD1 PHE 23 HD1 PHE 23 -2.285 19.461 6.722
202 HD2 PHE 23 HD2 PHE 23 -2.069 20.201 2.536
203 HE1 PHE 23 HE1 PHE 23 -0.277 20.838 7.072
204 HE2 PHE 23 HE2 PHE 23 -0.060 21.578 2.880
205 HZ PHE 23 HZ PHE 23 0.839 21.898 5.150
206 H LYS 24 H LYS 24 -5.547 20.580 2.453
207 HA LYS 24 HA LYS 24 -4.128 23.001 2.426
208 HB2 LYS 24 2HB LYS 24 -5.005 21.950 0.394
209 HB3 LYS 24 3HB LYS 24 -6.651 22.251 0.937
210 HG2 LYS 24 2HG LYS 24 -6.409 24.019 -0.457
211 HG3 LYS 24 3HG LYS 24 -5.765 24.749 1.016
212 HD2 LYS 24 2HD LYS 24 -3.483 23.938 0.225
213 HD3 LYS 24 3HD LYS 24 -4.254 23.631 -1.333
214 HE2 LYS 24 2HE LYS 24 -4.349 26.297 0.063
215 HE3 LYS 24 3HE LYS 24 -3.096 25.860 -1.098
216 HZ1 LYS 24 1HZ LYS 24 -5.822 25.430 -1.985
217 HZ2 LYS 24 2HZ LYS 24 -4.499 26.072 -2.821
218 HZ3 LYS 24 3HZ LYS 24 -5.386 27.050 -1.762
219 H ASN 25 H ASN 25 -7.227 22.136 3.762
220 HA ASN 25 HA ASN 25 -8.101 24.852 4.138
221 HB2 ASN 25 2HB ASN 25 -9.143 22.204 5.153
222 HB3 ASN 25 3HB ASN 25 -9.894 23.748 5.545
223 HD21 ASN 25 1HD2 ASN 25 -9.742 21.212 3.356
224 HD22 ASN 25 2HD2 ASN 25 -10.677 21.915 2.085
225 H LYS 26 H LYS 26 -5.917 22.835 5.702
226 HA LYS 26 HA LYS 26 -6.314 24.034 8.333
227 HB2 LYS 26 2HB LYS 26 -4.161 22.072 7.559
228 HB3 LYS 26 3HB LYS 26 -4.786 22.417 9.166
229 HG2 LYS 26 2HG LYS 26 -6.369 21.120 6.958
230 HG3 LYS 26 3HG LYS 26 -5.544 20.252 8.255
231 HD2 LYS 26 2HD LYS 26 -7.145 22.307 9.410
232 HD3 LYS 26 3HD LYS 26 -8.138 21.396 8.270
233 HE2 LYS 26 2HE LYS 26 -7.630 19.336 9.376
234 HE3 LYS 26 3HE LYS 26 -6.427 20.120 10.398
235 HZ1 LYS 26 1HZ LYS 26 -8.031 20.441 11.871
236 HZ2 LYS 26 2HZ LYS 26 -9.215 19.864 10.810
237 HZ3 LYS 26 3HZ LYS 26 -8.787 21.500 10.790
238 H HIS 27 H HIS 27 -4.143 24.144 5.601
239 HA HIS 27 HA HIS 27 -2.801 26.445 6.818
240 HB2 HIS 27 2HB HIS 27 -1.311 24.195 5.451
241 HB3 HIS 27 3HB HIS 27 -0.601 25.655 6.134
242 HD1 HIS 27 HD1 HIS 27 -2.292 22.451 7.184
243 HD2 HIS 27 HD2 HIS 27 -0.068 25.550 8.831
244 HE1 HIS 27 HE1 HIS 27 -1.746 21.716 9.526
245 H GLY 28 H GLY 28 -3.203 24.478 3.883
246 HA2 GLY 28 2HA GLY 28 -4.025 25.387 1.841
247 HA3 GLY 28 3HA GLY 28 -3.456 26.970 2.351
248 H TYR 29 H TYR 29 -1.443 24.143 2.652
249 HA TYR 29 HA TYR 29 0.148 25.063 0.350
250 HB2 TYR 29 2HB TYR 29 1.056 24.306 3.116
251 HB3 TYR 29 3HB TYR 29 2.148 24.201 1.740
252 HD1 TYR 29 HD1 TYR 29 -0.169 26.619 3.395
253 HD2 TYR 29 HD2 TYR 29 3.426 26.051 1.192
254 HE1 TYR 29 HE1 TYR 29 0.347 29.012 3.632
255 HE2 TYR 29 HE2 TYR 29 3.953 28.442 1.424
256 HH TYR 29 HH TYR 29 2.785 30.553 1.832
257 H TYR 30 H TYR 30 2.029 23.167 0.181
258 HA TYR 30 HA TYR 30 0.764 20.546 0.293
259 HB2 TYR 30 2HB TYR 30 1.969 21.384 -2.322
260 HB3 TYR 30 3HB TYR 30 0.823 20.089 -1.991
261 HD1 TYR 30 HD1 TYR 30 1.181 23.751 -2.340
262 HD2 TYR 30 HD2 TYR 30 -1.522 20.478 -2.056
263 HE1 TYR 30 HE1 TYR 30 -0.670 25.230 -3.002
264 HE2 TYR 30 HE2 TYR 30 -3.380 21.946 -2.719
265 HH TYR 30 HH TYR 30 -3.949 23.970 -3.469
266 HA PRO 31 HA PRO 31 5.456 20.060 -0.757
267 HB2 PRO 31 2HB PRO 31 6.907 22.336 -1.051
268 HB3 PRO 31 3HB PRO 31 6.080 21.543 -2.398
269 HG2 PRO 31 2HG PRO 31 5.218 23.905 -0.773
270 HG3 PRO 31 3HG PRO 31 5.127 23.660 -2.527
271 HD2 PRO 31 2HD PRO 31 2.990 23.331 -0.896
272 HD3 PRO 31 3HD PRO 31 3.220 22.375 -2.374
273 H TRP 32 H TRP 32 7.672 21.118 0.317
274 HA TRP 32 HA TRP 32 7.105 21.016 3.147
275 HB2 TRP 32 2HB TRP 32 9.385 20.625 3.458
276 HB3 TRP 32 3HB TRP 32 9.078 19.904 1.880
277 HD1 TRP 32 HD1 TRP 32 11.060 22.636 3.575
278 HE1 TRP 32 HE1 TRP 32 12.602 23.766 1.851
279 HE3 TRP 32 HE3 TRP 32 9.182 20.536 -0.691
280 HZ2 TRP 32 HZ2 TRP 32 12.972 23.767 -0.947
281 HZ3 TRP 32 HZ3 TRP 32 10.186 21.155 -2.851
282 HH2 TRP 32 HH2 TRP 32 12.041 22.738 -2.974
283 H GLU 33 H GLU 33 6.879 23.443 1.039
284 HA GLU 33 HA GLU 33 8.277 25.487 2.550
285 HB2 GLU 33 2HB GLU 33 6.369 25.913 0.253
286 HB3 GLU 33 3HB GLU 33 7.622 27.003 0.831
287 HG2 GLU 33 2HG GLU 33 9.345 25.543 0.030
288 HG3 GLU 33 3HG GLU 33 8.159 24.313 -0.402
289 H ILE 34 H ILE 34 6.496 24.266 4.194
290 HA ILE 34 HA ILE 34 4.099 25.937 4.286
291 HB ILE 34 HB ILE 34 4.873 23.588 6.019
292 HG12 ILE 34 2HG1 ILE 34 2.627 23.510 4.060
293 HG13 ILE 34 3HG1 ILE 34 4.267 23.378 3.435
294 HG21 ILE 34 1HG2 ILE 34 3.364 25.211 7.109
295 HG22 ILE 34 2HG2 ILE 34 2.224 25.006 5.780
296 HG23 ILE 34 3HG2 ILE 34 2.602 23.645 6.835
297 HD11 ILE 34 1HD1 ILE 34 2.840 21.266 4.136
298 HD12 ILE 34 2HD1 ILE 34 4.591 21.327 4.344
299 HD13 ILE 34 3HD1 ILE 34 3.528 21.641 5.716
300 HA PRO 35 HA PRO 35 5.922 28.641 7.275
301 HB2 PRO 35 2HB PRO 35 3.635 29.863 8.079
302 HB3 PRO 35 3HB PRO 35 4.416 30.210 6.532
303 HG2 PRO 35 2HG PRO 35 2.078 28.434 7.117
304 HG3 PRO 35 3HG PRO 35 2.303 29.586 5.788
305 HD2 PRO 35 2HD PRO 35 2.663 26.920 5.481
306 HD3 PRO 35 3HD PRO 35 3.601 28.121 4.571
307 H ARG 36 H ARG 36 4.989 29.460 9.601
308 HA ARG 36 HA ARG 36 4.726 26.988 11.156
309 HB2 ARG 36 2HB ARG 36 5.405 29.725 12.222
310 HB3 ARG 36 3HB ARG 36 5.659 28.169 13.000
311 HG2 ARG 36 2HG ARG 36 7.095 29.186 10.557
312 HG3 ARG 36 3HG ARG 36 7.752 29.084 12.191
313 HD2 ARG 36 2HD ARG 36 7.085 26.563 11.979
314 HD3 ARG 36 3HD ARG 36 7.136 26.902 10.249
315 HE ARG 36 HE ARG 36 9.414 26.945 10.373
316 HH11 ARG 36 1HH1 ARG 36 8.109 27.342 13.576
317 HH12 ARG 36 2HH1 ARG 36 9.654 27.258 14.357
318 HH21 ARG 36 1HH2 ARG 36 11.453 26.832 11.389
319 HH22 ARG 36 2HH2 ARG 36 11.555 26.968 13.112
320 H CYS 37 H CYS 37 3.394 27.095 13.146
321 HA CYS 37 HA CYS 37 0.999 28.762 12.734
322 HB2 CYS 37 2HB CYS 37 0.872 26.183 12.345
323 HB3 CYS 37 3HB CYS 37 0.879 26.095 14.102
324 HG CYS 37 HG CYS 37 -1.754 25.839 13.312
Start of MODEL 16
1 H MET 1 H MET 1 6.643 -0.889 -1.629
2 HA MET 1 HA MET 1 4.733 -0.106 0.138
3 HB2 MET 1 2HB MET 1 7.188 0.016 1.460
4 HB3 MET 1 3HB MET 1 6.828 1.685 1.042
5 HG2 MET 1 2HG MET 1 5.522 1.784 2.819
6 HG3 MET 1 3HG MET 1 4.438 0.641 2.028
7 HE1 MET 1 1HE MET 1 4.777 -2.559 3.879
8 HE2 MET 1 2HE MET 1 3.600 -1.304 3.492
9 HE3 MET 1 3HE MET 1 4.658 -1.940 2.231
10 H LYS 2 H LYS 2 3.697 1.028 -1.376
11 HA LYS 2 HA LYS 2 3.217 2.595 -2.955
12 HB2 LYS 2 2HB LYS 2 5.179 3.978 -1.171
13 HB3 LYS 2 3HB LYS 2 4.654 4.780 -2.645
14 HG2 LYS 2 2HG LYS 2 2.363 4.718 -1.930
15 HG3 LYS 2 3HG LYS 2 2.790 3.748 -0.518
16 HD2 LYS 2 2HD LYS 2 4.139 5.597 0.345
17 HD3 LYS 2 3HD LYS 2 3.727 6.564 -1.073
18 HE2 LYS 2 2HE LYS 2 2.032 7.341 0.160
19 HE3 LYS 2 3HE LYS 2 1.267 5.782 -0.145
20 HZ1 LYS 2 1HZ LYS 2 1.802 5.011 1.932
21 HZ2 LYS 2 2HZ LYS 2 1.536 6.647 2.270
22 HZ3 LYS 2 3HZ LYS 2 3.116 6.060 2.123
23 H PHE 3 H PHE 3 4.217 0.980 -4.456
24 HA PHE 3 HA PHE 3 6.836 1.227 -5.421
25 HB2 PHE 3 2HB PHE 3 4.303 0.066 -6.523
26 HB3 PHE 3 3HB PHE 3 5.718 0.199 -7.562
27 HD1 PHE 3 HD1 PHE 3 6.784 -1.810 -7.805
28 HD2 PHE 3 HD2 PHE 3 5.175 -0.782 -4.000
29 HE1 PHE 3 HE1 PHE 3 7.668 -3.907 -6.869
30 HE2 PHE 3 HE2 PHE 3 6.058 -2.877 -3.058
31 HZ PHE 3 HZ PHE 3 7.306 -4.442 -4.492
32 H LYS 4 H LYS 4 7.393 1.903 -7.690
33 HA LYS 4 HA LYS 4 6.089 4.474 -8.298
34 HB2 LYS 4 2HB LYS 4 8.919 3.710 -9.012
35 HB3 LYS 4 3HB LYS 4 8.189 5.309 -9.071
36 HG2 LYS 4 2HG LYS 4 9.124 5.645 -7.084
37 HG3 LYS 4 3HG LYS 4 7.871 4.583 -6.439
38 HD2 LYS 4 2HD LYS 4 9.813 3.622 -5.618
39 HD3 LYS 4 3HD LYS 4 9.511 2.676 -7.077
40 HE2 LYS 4 2HE LYS 4 11.066 5.001 -7.717
41 HE3 LYS 4 3HE LYS 4 11.829 4.114 -6.399
42 HZ1 LYS 4 1HZ LYS 4 12.527 3.402 -8.656
43 HZ2 LYS 4 2HZ LYS 4 10.951 2.857 -8.939
44 HZ3 LYS 4 3HZ LYS 4 11.883 2.151 -7.717
45 H PHE 5 H PHE 5 7.220 1.437 -9.570
46 HA PHE 5 HA PHE 5 6.697 2.206 -12.320
47 HB2 PHE 5 2HB PHE 5 7.577 -0.411 -11.088
48 HB3 PHE 5 3HB PHE 5 7.354 -0.159 -12.816
49 HD1 PHE 5 HD1 PHE 5 8.884 1.255 -14.075
50 HD2 PHE 5 HD2 PHE 5 9.465 0.505 -9.926
51 HE1 PHE 5 HE1 PHE 5 11.194 2.083 -14.253
52 HE2 PHE 5 HE2 PHE 5 11.776 1.333 -10.097
53 HZ PHE 5 HZ PHE 5 12.643 2.124 -12.262
54 H ASN 6 H ASN 6 5.217 0.331 -9.758
55 HA ASN 6 HA ASN 6 3.332 -1.129 -11.149
56 HB2 ASN 6 2HB ASN 6 3.584 -0.077 -8.410
57 HB3 ASN 6 3HB ASN 6 1.929 -0.400 -8.920
58 HD21 ASN 6 1HD2 ASN 6 1.529 -2.172 -7.720
59 HD22 ASN 6 2HD2 ASN 6 2.380 -3.667 -7.879
60 HA PRO 7 HA PRO 7 0.375 1.633 -12.845
61 HB2 PRO 7 2HB PRO 7 -1.969 0.350 -12.367
62 HB3 PRO 7 3HB PRO 7 -0.795 -0.209 -13.564
63 HG2 PRO 7 2HG PRO 7 -1.254 -1.172 -10.767
64 HG3 PRO 7 3HG PRO 7 -0.964 -2.114 -12.241
65 HD2 PRO 7 2HD PRO 7 0.981 -1.618 -10.423
66 HD3 PRO 7 3HD PRO 7 1.314 -1.776 -12.160
67 H THR 8 H THR 8 -0.261 0.548 -9.547
68 HA THR 8 HA THR 8 -2.264 2.367 -8.857
69 HB THR 8 HB THR 8 -1.442 0.381 -7.492
70 HG1 THR 8 HG1 THR 8 -2.882 2.191 -6.773
71 HG21 THR 8 1HG2 THR 8 0.948 1.045 -7.491
72 HG22 THR 8 2HG2 THR 8 0.309 0.779 -5.869
73 HG23 THR 8 3HG2 THR 8 0.536 2.421 -6.470
74 H GLY 9 H GLY 9 1.074 2.874 -9.454
75 HA2 GLY 9 2HA GLY 9 1.738 5.010 -7.834
76 HA3 GLY 9 3HA GLY 9 2.333 4.795 -9.474
77 H THR 10 H THR 10 -0.092 5.065 -10.865
78 HA THR 10 HA THR 10 -0.304 7.921 -10.913
79 HB THR 10 HB THR 10 -1.931 5.873 -12.431
80 HG1 THR 10 HG1 THR 10 -0.401 6.372 -14.113
81 HG21 THR 10 1HG2 THR 10 -2.319 8.624 -12.174
82 HG22 THR 10 2HG2 THR 10 -3.012 7.567 -13.405
83 HG23 THR 10 3HG2 THR 10 -1.504 8.423 -13.724
84 H ILE 11 H ILE 11 -2.605 5.289 -10.230
85 HA ILE 11 HA ILE 11 -4.828 6.829 -9.623
86 HB ILE 11 HB ILE 11 -4.005 4.206 -8.372
87 HG12 ILE 11 2HG1 ILE 11 -6.053 3.726 -10.153
88 HG13 ILE 11 3HG1 ILE 11 -5.112 4.965 -10.977
89 HG21 ILE 11 1HG2 ILE 11 -6.394 3.931 -7.864
90 HG22 ILE 11 2HG2 ILE 11 -5.689 5.311 -7.024
91 HG23 ILE 11 3HG2 ILE 11 -6.694 5.567 -8.450
92 HD11 ILE 11 1HD1 ILE 11 -4.101 3.075 -11.749
93 HD12 ILE 11 2HD1 ILE 11 -3.104 3.407 -10.332
94 HD13 ILE 11 3HD1 ILE 11 -4.371 2.183 -10.253
95 H VAL 12 H VAL 12 -2.426 5.522 -7.331
96 HA VAL 12 HA VAL 12 -3.415 6.669 -5.012
97 HB VAL 12 HB VAL 12 -0.535 6.136 -5.749
98 HG11 VAL 12 1HG1 VAL 12 -0.132 6.119 -3.312
99 HG12 VAL 12 2HG1 VAL 12 -0.620 7.705 -3.911
100 HG13 VAL 12 3HG1 VAL 12 -1.781 6.687 -3.058
101 HG21 VAL 12 1HG2 VAL 12 -2.472 4.305 -5.574
102 HG22 VAL 12 2HG2 VAL 12 -0.815 3.992 -5.057
103 HG23 VAL 12 3HG2 VAL 12 -2.045 4.420 -3.867
104 H LYS 13 H LYS 13 -1.533 8.103 -7.581
105 HA LYS 13 HA LYS 13 -0.871 10.488 -6.130
106 HB2 LYS 13 2HB LYS 13 0.529 10.815 -7.839
107 HB3 LYS 13 3HB LYS 13 -0.042 9.297 -8.519
108 HG2 LYS 13 2HG LYS 13 -1.768 10.503 -9.760
109 HG3 LYS 13 3HG LYS 13 -1.189 12.025 -9.080
110 HD2 LYS 13 2HD LYS 13 0.416 10.146 -10.814
111 HD3 LYS 13 3HD LYS 13 -0.328 11.656 -11.346
112 HE2 LYS 13 2HE LYS 13 1.060 12.661 -9.353
113 HE3 LYS 13 3HE LYS 13 2.038 11.213 -9.586
114 HZ1 LYS 13 1HZ LYS 13 3.073 12.369 -11.159
115 HZ2 LYS 13 2HZ LYS 13 1.896 13.584 -11.179
116 HZ3 LYS 13 3HZ LYS 13 1.683 12.185 -12.106
117 H LYS 14 H LYS 14 -3.426 9.473 -8.305
118 HA LYS 14 HA LYS 14 -4.527 12.105 -8.628
119 HB2 LYS 14 2HB LYS 14 -5.647 9.366 -9.243
120 HB3 LYS 14 3HB LYS 14 -6.451 10.876 -9.653
121 HG2 LYS 14 2HG LYS 14 -3.801 9.903 -10.695
122 HG3 LYS 14 3HG LYS 14 -5.318 10.025 -11.589
123 HD2 LYS 14 2HD LYS 14 -5.285 12.475 -11.223
124 HD3 LYS 14 3HD LYS 14 -3.712 12.307 -10.439
125 HE2 LYS 14 2HE LYS 14 -3.027 12.809 -12.557
126 HE3 LYS 14 3HE LYS 14 -3.126 11.054 -12.693
127 HZ1 LYS 14 1HZ LYS 14 -4.686 11.242 -14.237
128 HZ2 LYS 14 2HZ LYS 14 -4.427 12.913 -14.253
129 HZ3 LYS 14 3HZ LYS 14 -5.633 12.253 -13.266
130 H LEU 15 H LEU 15 -5.469 9.201 -6.802
131 HA LEU 15 HA LEU 15 -7.773 10.212 -5.613
132 HB2 LEU 15 2HB LEU 15 -5.806 8.095 -4.877
133 HB3 LEU 15 3HB LEU 15 -7.038 8.565 -3.707
134 HG LEU 15 HG LEU 15 -7.497 6.533 -5.195
135 HD11 LEU 15 1HD1 LEU 15 -9.629 6.819 -4.619
136 HD12 LEU 15 2HD1 LEU 15 -9.793 8.262 -5.620
137 HD13 LEU 15 3HD1 LEU 15 -9.136 8.391 -3.989
138 HD21 LEU 15 1HD2 LEU 15 -8.087 8.725 -7.182
139 HD22 LEU 15 2HD2 LEU 15 -8.441 7.009 -7.383
140 HD23 LEU 15 3HD2 LEU 15 -6.767 7.561 -7.300
141 H THR 16 H THR 16 -4.406 10.670 -4.793
142 HA THR 16 HA THR 16 -4.885 11.816 -2.217
143 HB THR 16 HB THR 16 -2.444 11.984 -3.995
144 HG1 THR 16 HG1 THR 16 -1.728 10.416 -2.296
145 HG21 THR 16 1HG2 THR 16 -3.106 13.267 -1.471
146 HG22 THR 16 2HG2 THR 16 -1.748 13.554 -2.560
147 HG23 THR 16 3HG2 THR 16 -1.657 12.270 -1.355
148 H GLN 17 H GLN 17 -4.722 13.026 -5.480
149 HA GLN 17 HA GLN 17 -4.217 15.719 -5.044
150 HB2 GLN 17 2HB GLN 17 -4.551 14.382 -7.254
151 HB3 GLN 17 3HB GLN 17 -6.241 14.834 -7.075
152 HG2 GLN 17 2HG GLN 17 -5.829 17.063 -7.431
153 HG3 GLN 17 3HG GLN 17 -4.148 16.945 -6.911
154 HE21 GLN 17 1HE2 GLN 17 -2.612 16.054 -8.348
155 HE22 GLN 17 2HE2 GLN 17 -2.893 16.038 -10.052
156 H TYR 18 H TYR 18 -7.053 13.855 -4.360
157 HA TYR 18 HA TYR 18 -8.662 16.252 -3.908
158 HB2 TYR 18 2HB TYR 18 -9.399 13.323 -3.754
159 HB3 TYR 18 3HB TYR 18 -10.519 14.661 -3.527
160 HD1 TYR 18 HD1 TYR 18 -11.632 15.583 -5.360
161 HD2 TYR 18 HD2 TYR 18 -8.191 13.169 -6.019
162 HE1 TYR 18 HE1 TYR 18 -12.065 15.637 -7.781
163 HE2 TYR 18 HE2 TYR 18 -8.614 13.217 -8.441
164 HH TYR 18 HH TYR 18 -10.368 15.320 -9.961
165 H GLU 19 H GLU 19 -6.957 13.756 -2.194
166 HA GLU 19 HA GLU 19 -8.198 14.189 0.341
167 HB2 GLU 19 2HB GLU 19 -5.547 12.908 -0.346
168 HB3 GLU 19 3HB GLU 19 -6.321 12.848 1.231
169 HG2 GLU 19 2HG GLU 19 -7.635 11.802 -1.256
170 HG3 GLU 19 3HG GLU 19 -6.583 10.815 -0.242
171 H ILE 20 H ILE 20 -5.329 15.434 -1.274
172 HA ILE 20 HA ILE 20 -4.051 16.686 0.836
173 HB ILE 20 HB ILE 20 -4.290 17.707 -1.997
174 HG12 ILE 20 2HG1 ILE 20 -1.844 16.331 -1.068
175 HG13 ILE 20 3HG1 ILE 20 -3.269 15.311 -1.238
176 HG21 ILE 20 1HG2 ILE 20 -1.804 18.371 -0.874
177 HG22 ILE 20 2HG2 ILE 20 -3.119 19.461 -1.309
178 HG23 ILE 20 3HG2 ILE 20 -3.022 18.806 0.325
179 HD11 ILE 20 1HD1 ILE 20 -2.702 15.125 -3.373
180 HD12 ILE 20 2HD1 ILE 20 -3.251 16.791 -3.561
181 HD13 ILE 20 3HD1 ILE 20 -1.547 16.453 -3.263
182 H ALA 21 H ALA 21 -6.905 17.667 -0.935
183 HA ALA 21 HA ALA 21 -7.100 20.341 -0.295
184 HB1 ALA 21 1HB ALA 21 -9.381 18.370 -0.369
185 HB2 ALA 21 2HB ALA 21 -9.494 20.118 -0.576
186 HB3 ALA 21 3HB ALA 21 -8.655 19.140 -1.780
187 H TRP 22 H TRP 22 -8.108 17.552 1.655
188 HA TRP 22 HA TRP 22 -9.324 18.856 3.761
189 HB2 TRP 22 2HB TRP 22 -9.327 16.430 3.566
190 HB3 TRP 22 3HB TRP 22 -7.588 16.380 3.842
191 HD1 TRP 22 HD1 TRP 22 -6.732 16.826 6.358
192 HE1 TRP 22 HE1 TRP 22 -7.929 16.603 8.625
193 HE3 TRP 22 HE3 TRP 22 -11.570 16.709 4.712
194 HZ2 TRP 22 HZ2 TRP 22 -10.575 16.403 9.588
195 HZ3 TRP 22 HZ3 TRP 22 -13.376 16.500 6.371
196 HH2 TRP 22 HH2 TRP 22 -12.886 16.349 8.758
197 H PHE 23 H PHE 23 -5.874 18.194 3.284
198 HA PHE 23 HA PHE 23 -5.104 19.426 5.755
199 HB2 PHE 23 2HB PHE 23 -3.599 17.785 5.038
200 HB3 PHE 23 3HB PHE 23 -3.619 18.359 3.374
201 HD1 PHE 23 HD1 PHE 23 -2.409 19.131 6.779
202 HD2 PHE 23 HD2 PHE 23 -2.060 19.946 2.616
203 HE1 PHE 23 HE1 PHE 23 -0.360 20.423 7.207
204 HE2 PHE 23 HE2 PHE 23 -0.010 21.239 3.037
205 HZ PHE 23 HZ PHE 23 0.844 21.478 5.335
206 H LYS 24 H LYS 24 -5.518 20.460 2.456
207 HA LYS 24 HA LYS 24 -4.008 22.826 2.516
208 HB2 LYS 24 2HB LYS 24 -4.874 21.850 0.441
209 HB3 LYS 24 3HB LYS 24 -6.520 22.203 0.950
210 HG2 LYS 24 2HG LYS 24 -6.176 23.988 -0.399
211 HG3 LYS 24 3HG LYS 24 -5.542 24.663 1.104
212 HD2 LYS 24 2HD LYS 24 -3.273 23.782 0.353
213 HD3 LYS 24 3HD LYS 24 -4.015 23.535 -1.230
214 HE2 LYS 24 2HE LYS 24 -4.044 26.175 0.218
215 HE3 LYS 24 3HE LYS 24 -2.781 25.713 -0.921
216 HZ1 LYS 24 1HZ LYS 24 -4.445 25.493 -2.644
217 HZ2 LYS 24 2HZ LYS 24 -4.514 27.043 -1.971
218 HZ3 LYS 24 3HZ LYS 24 -5.678 25.888 -1.554
219 H ASN 25 H ASN 25 -7.170 22.053 3.758
220 HA ASN 25 HA ASN 25 -7.950 24.792 4.170
221 HB2 ASN 25 2HB ASN 25 -9.113 22.146 5.030
222 HB3 ASN 25 3HB ASN 25 -9.792 23.682 5.562
223 HD21 ASN 25 1HD2 ASN 25 -9.774 21.340 3.164
224 HD22 ASN 25 2HD2 ASN 25 -10.681 22.193 1.966
225 H LYS 26 H LYS 26 -5.884 22.662 5.743
226 HA LYS 26 HA LYS 26 -6.301 23.821 8.389
227 HB2 LYS 26 2HB LYS 26 -4.206 21.794 7.625
228 HB3 LYS 26 3HB LYS 26 -4.857 22.130 9.224
229 HG2 LYS 26 2HG LYS 26 -6.433 20.940 6.951
230 HG3 LYS 26 3HG LYS 26 -5.674 20.014 8.248
231 HD2 LYS 26 2HD LYS 26 -7.138 20.827 9.856
232 HD3 LYS 26 3HD LYS 26 -7.566 22.243 8.892
233 HE2 LYS 26 2HE LYS 26 -9.231 21.162 7.867
234 HE3 LYS 26 3HE LYS 26 -8.232 19.741 7.568
235 HZ1 LYS 26 1HZ LYS 26 -9.706 18.840 9.005
236 HZ2 LYS 26 2HZ LYS 26 -10.046 20.304 9.779
237 HZ3 LYS 26 3HZ LYS 26 -8.631 19.457 10.156
238 H HIS 27 H HIS 27 -4.060 23.903 5.714
239 HA HIS 27 HA HIS 27 -2.663 26.125 7.011
240 HB2 HIS 27 2HB HIS 27 -1.225 23.849 5.632
241 HB3 HIS 27 3HB HIS 27 -0.478 25.266 6.363
242 HD1 HIS 27 HD1 HIS 27 -2.314 22.109 7.304
243 HD2 HIS 27 HD2 HIS 27 -0.015 25.085 9.070
244 HE1 HIS 27 HE1 HIS 27 -1.855 21.305 9.642
245 H GLY 28 H GLY 28 -3.065 24.236 4.025
246 HA2 GLY 28 2HA GLY 28 -3.801 25.218 1.985
247 HA3 GLY 28 3HA GLY 28 -3.185 26.767 2.543
248 H TYR 29 H TYR 29 -1.289 23.860 2.832
249 HA TYR 29 HA TYR 29 0.393 24.765 0.589
250 HB2 TYR 29 2HB TYR 29 1.202 23.917 3.359
251 HB3 TYR 29 3HB TYR 29 2.323 23.799 2.007
252 HD1 TYR 29 HD1 TYR 29 3.686 25.608 1.533
253 HD2 TYR 29 HD2 TYR 29 0.059 26.270 3.657
254 HE1 TYR 29 HE1 TYR 29 4.297 27.972 1.828
255 HE2 TYR 29 HE2 TYR 29 0.660 28.636 3.957
256 HH TYR 29 HH TYR 29 2.100 30.252 3.426
257 H TYR 30 H TYR 30 2.205 22.802 0.424
258 HA TYR 30 HA TYR 30 0.839 20.230 0.450
259 HB2 TYR 30 2HB TYR 30 2.139 21.075 -2.117
260 HB3 TYR 30 3HB TYR 30 0.938 19.818 -1.841
261 HD1 TYR 30 HD1 TYR 30 -1.388 20.295 -1.957
262 HD2 TYR 30 HD2 TYR 30 1.441 23.470 -2.103
263 HE1 TYR 30 HE1 TYR 30 -3.173 21.847 -2.632
264 HE2 TYR 30 HE2 TYR 30 -0.336 25.030 -2.777
265 HH TYR 30 HH TYR 30 -2.910 24.433 -4.082
266 HA PRO 31 HA PRO 31 5.534 19.587 -0.498
267 HB2 PRO 31 2HB PRO 31 7.076 21.811 -0.708
268 HB3 PRO 31 3HB PRO 31 6.254 21.078 -2.091
269 HG2 PRO 31 2HG PRO 31 5.442 23.437 -0.437
270 HG3 PRO 31 3HG PRO 31 5.385 23.232 -2.197
271 HD2 PRO 31 2HD PRO 31 3.198 22.951 -0.625
272 HD3 PRO 31 3HD PRO 31 3.427 22.017 -2.118
273 H TRP 32 H TRP 32 7.761 20.536 0.652
274 HA TRP 32 HA TRP 32 7.120 20.399 3.464
275 HB2 TRP 32 2HB TRP 32 9.375 19.914 3.822
276 HB3 TRP 32 3HB TRP 32 9.081 19.237 2.223
277 HD1 TRP 32 HD1 TRP 32 11.124 21.856 4.021
278 HE1 TRP 32 HE1 TRP 32 12.748 22.960 2.358
279 HE3 TRP 32 HE3 TRP 32 9.271 19.917 -0.332
280 HZ2 TRP 32 HZ2 TRP 32 13.186 23.004 -0.430
281 HZ3 TRP 32 HZ3 TRP 32 10.350 20.540 -2.453
282 HH2 TRP 32 HH2 TRP 32 12.267 22.052 -2.499
283 H GLU 33 H GLU 33 7.039 22.875 1.404
284 HA GLU 33 HA GLU 33 8.476 24.833 2.991
285 HB2 GLU 33 2HB GLU 33 6.643 25.378 0.659
286 HB3 GLU 33 3HB GLU 33 7.921 26.408 1.289
287 HG2 GLU 33 2HG GLU 33 9.607 24.898 0.499
288 HG3 GLU 33 3HG GLU 33 8.386 23.724 0.013
289 H ILE 34 H ILE 34 6.609 23.647 4.566
290 HA ILE 34 HA ILE 34 4.276 25.407 4.636
291 HB ILE 34 HB ILE 34 4.917 22.994 6.337
292 HG12 ILE 34 2HG1 ILE 34 2.719 23.044 4.322
293 HG13 ILE 34 3HG1 ILE 34 4.368 22.860 3.735
294 HG21 ILE 34 1HG2 ILE 34 3.444 24.651 7.425
295 HG22 ILE 34 2HG2 ILE 34 2.331 24.519 6.064
296 HG23 ILE 34 3HG2 ILE 34 2.629 23.122 7.098
297 HD11 ILE 34 1HD1 ILE 34 3.049 20.743 4.163
298 HD12 ILE 34 2HD1 ILE 34 4.658 20.836 4.881
299 HD13 ILE 34 3HD1 ILE 34 3.230 21.102 5.880
300 HA PRO 35 HA PRO 35 6.126 27.977 7.724
301 HB2 PRO 35 2HB PRO 35 3.868 29.269 8.500
302 HB3 PRO 35 3HB PRO 35 4.700 29.617 6.979
303 HG2 PRO 35 2HG PRO 35 2.282 27.922 7.470
304 HG3 PRO 35 3HG PRO 35 2.584 29.091 6.172
305 HD2 PRO 35 2HD PRO 35 2.849 26.420 5.817
306 HD3 PRO 35 3HD PRO 35 3.854 27.602 4.955
307 H ARG 36 H ARG 36 5.176 28.781 10.045
308 HA ARG 36 HA ARG 36 4.606 26.293 11.511
309 HB2 ARG 36 2HB ARG 36 5.688 27.363 13.443
310 HB3 ARG 36 3HB ARG 36 6.772 27.262 12.062
311 HG2 ARG 36 2HG ARG 36 5.277 29.757 12.149
312 HG3 ARG 36 3HG ARG 36 6.286 29.497 13.573
313 HD2 ARG 36 2HD ARG 36 8.247 29.392 12.312
314 HD3 ARG 36 3HD ARG 36 7.373 29.080 10.812
315 HE ARG 36 HE ARG 36 6.540 31.561 11.566
316 HH11 ARG 36 1HH1 ARG 36 9.645 30.089 11.006
317 HH12 ARG 36 2HH1 ARG 36 10.395 31.562 10.487
318 HH21 ARG 36 1HH2 ARG 36 7.517 33.507 10.885
319 HH22 ARG 36 2HH2 ARG 36 9.184 33.506 10.420
320 H CYS 37 H CYS 37 3.299 26.484 13.463
321 HA CYS 37 HA CYS 37 0.862 27.777 13.006
322 HB2 CYS 37 2HB CYS 37 2.048 26.145 15.113
323 HB3 CYS 37 3HB CYS 37 0.933 27.350 15.745
324 HG CYS 37 HG CYS 37 -0.942 25.578 15.506
Start of MODEL 17
1 H MET 1 H MET 1 7.754 -1.698 0.418
2 HA MET 1 HA MET 1 5.883 -1.233 -1.067
3 HB2 MET 1 2HB MET 1 4.420 0.114 0.473
4 HB3 MET 1 3HB MET 1 5.197 -1.276 1.218
5 HG2 MET 1 2HG MET 1 6.543 0.001 2.537
6 HG3 MET 1 3HG MET 1 6.569 1.346 1.398
7 HE1 MET 1 1HE MET 1 4.630 0.130 4.817
8 HE2 MET 1 2HE MET 1 3.042 0.209 4.055
9 HE3 MET 1 3HE MET 1 4.289 -0.844 3.386
10 H LYS 2 H LYS 2 4.305 0.835 -1.379
11 HA LYS 2 HA LYS 2 3.971 2.689 -2.658
12 HB2 LYS 2 2HB LYS 2 6.478 3.667 -1.280
13 HB3 LYS 2 3HB LYS 2 5.273 4.669 -2.077
14 HG2 LYS 2 2HG LYS 2 3.650 4.197 -0.423
15 HG3 LYS 2 3HG LYS 2 4.632 2.904 0.269
16 HD2 LYS 2 2HD LYS 2 5.920 4.338 1.445
17 HD3 LYS 2 3HD LYS 2 5.918 5.551 0.163
18 HE2 LYS 2 2HE LYS 2 4.762 6.430 2.083
19 HE3 LYS 2 3HE LYS 2 3.598 6.146 0.790
20 HZ1 LYS 2 1HZ LYS 2 3.836 4.867 3.380
21 HZ2 LYS 2 2HZ LYS 2 3.495 3.822 2.094
22 HZ3 LYS 2 3HZ LYS 2 2.466 5.125 2.420
23 H PHE 3 H PHE 3 4.736 1.026 -4.365
24 HA PHE 3 HA PHE 3 7.287 1.337 -5.550
25 HB2 PHE 3 2HB PHE 3 4.702 0.085 -6.391
26 HB3 PHE 3 3HB PHE 3 5.972 0.314 -7.589
27 HD1 PHE 3 HD1 PHE 3 7.030 -1.669 -8.027
28 HD2 PHE 3 HD2 PHE 3 5.978 -0.741 -4.008
29 HE1 PHE 3 HE1 PHE 3 8.120 -3.740 -7.267
30 HE2 PHE 3 HE2 PHE 3 7.067 -2.809 -3.242
31 HZ PHE 3 HZ PHE 3 8.141 -4.312 -4.872
32 H LYS 4 H LYS 4 7.608 2.103 -7.820
33 HA LYS 4 HA LYS 4 6.088 4.586 -8.280
34 HB2 LYS 4 2HB LYS 4 8.945 4.063 -9.106
35 HB3 LYS 4 3HB LYS 4 8.081 5.593 -9.168
36 HG2 LYS 4 2HG LYS 4 9.056 6.036 -7.219
37 HG3 LYS 4 3HG LYS 4 7.893 4.907 -6.520
38 HD2 LYS 4 2HD LYS 4 9.658 3.108 -7.181
39 HD3 LYS 4 3HD LYS 4 10.769 4.479 -7.224
40 HE2 LYS 4 2HE LYS 4 10.809 4.661 -4.989
41 HE3 LYS 4 3HE LYS 4 9.070 4.409 -4.846
42 HZ1 LYS 4 1HZ LYS 4 11.243 2.455 -4.776
43 HZ2 LYS 4 2HZ LYS 4 9.777 1.966 -5.462
44 HZ3 LYS 4 3HZ LYS 4 9.820 2.520 -3.865
45 H PHE 5 H PHE 5 7.301 1.643 -9.637
46 HA PHE 5 HA PHE 5 6.688 2.418 -12.365
47 HB2 PHE 5 2HB PHE 5 7.521 -0.278 -11.275
48 HB3 PHE 5 3HB PHE 5 7.480 0.193 -12.971
49 HD1 PHE 5 HD1 PHE 5 8.971 2.188 -13.650
50 HD2 PHE 5 HD2 PHE 5 9.467 -0.034 -10.053
51 HE1 PHE 5 HE1 PHE 5 11.296 2.975 -13.488
52 HE2 PHE 5 HE2 PHE 5 11.793 0.751 -9.886
53 HZ PHE 5 HZ PHE 5 12.710 2.258 -11.604
54 H ASN 6 H ASN 6 5.293 0.525 -9.774
55 HA ASN 6 HA ASN 6 3.409 -0.979 -11.114
56 HB2 ASN 6 2HB ASN 6 3.531 0.244 -8.395
57 HB3 ASN 6 3HB ASN 6 1.996 -0.434 -8.930
58 HD21 ASN 6 1HD2 ASN 6 2.678 -2.611 -10.320
59 HD22 ASN 6 2HD2 ASN 6 3.520 -3.743 -9.322
60 HA PRO 7 HA PRO 7 0.381 1.710 -12.800
61 HB2 PRO 7 2HB PRO 7 -1.934 0.393 -12.273
62 HB3 PRO 7 3HB PRO 7 -0.767 -0.161 -13.480
63 HG2 PRO 7 2HG PRO 7 -1.169 -1.097 -10.665
64 HG3 PRO 7 3HG PRO 7 -0.884 -2.052 -12.132
65 HD2 PRO 7 2HD PRO 7 1.078 -1.499 -10.349
66 HD3 PRO 7 3HD PRO 7 1.389 -1.673 -12.088
67 H THR 8 H THR 8 -0.190 0.655 -9.481
68 HA THR 8 HA THR 8 -2.214 2.448 -8.784
69 HB THR 8 HB THR 8 -1.338 0.493 -7.407
70 HG1 THR 8 HG1 THR 8 -2.489 1.390 -5.876
71 HG21 THR 8 1HG2 THR 8 0.429 0.941 -5.814
72 HG22 THR 8 2HG2 THR 8 0.618 2.580 -6.438
73 HG23 THR 8 3HG2 THR 8 1.039 1.197 -7.448
74 H GLY 9 H GLY 9 1.106 3.004 -9.435
75 HA2 GLY 9 2HA GLY 9 1.755 5.171 -7.851
76 HA3 GLY 9 3HA GLY 9 2.330 4.947 -9.497
77 H THR 10 H THR 10 -0.118 5.157 -10.855
78 HA THR 10 HA THR 10 -0.380 8.009 -10.935
79 HB THR 10 HB THR 10 -1.996 5.915 -12.403
80 HG1 THR 10 HG1 THR 10 -0.223 5.677 -13.521
81 HG21 THR 10 1HG2 THR 10 -2.428 8.660 -12.175
82 HG22 THR 10 2HG2 THR 10 -3.113 7.579 -13.389
83 HG23 THR 10 3HG2 THR 10 -1.623 8.458 -13.731
84 H ILE 11 H ILE 11 -2.625 5.346 -10.186
85 HA ILE 11 HA ILE 11 -4.866 6.854 -9.566
86 HB ILE 11 HB ILE 11 -3.979 4.262 -8.294
87 HG12 ILE 11 2HG1 ILE 11 -6.045 3.728 -10.041
88 HG13 ILE 11 3HG1 ILE 11 -5.131 4.968 -10.893
89 HG21 ILE 11 1HG2 ILE 11 -6.355 3.953 -7.748
90 HG22 ILE 11 2HG2 ILE 11 -5.664 5.356 -6.936
91 HG23 ILE 11 3HG2 ILE 11 -6.693 5.575 -8.352
92 HD11 ILE 11 1HD1 ILE 11 -4.111 3.073 -11.651
93 HD12 ILE 11 2HD1 ILE 11 -3.093 3.453 -10.262
94 HD13 ILE 11 3HD1 ILE 11 -4.336 2.209 -10.130
95 H VAL 12 H VAL 12 -2.408 5.619 -7.293
96 HA VAL 12 HA VAL 12 -3.384 6.778 -4.974
97 HB VAL 12 HB VAL 12 -0.505 6.285 -5.746
98 HG11 VAL 12 1HG1 VAL 12 -0.067 6.306 -3.316
99 HG12 VAL 12 2HG1 VAL 12 -0.591 7.876 -3.928
100 HG13 VAL 12 3HG1 VAL 12 -1.722 6.849 -3.045
101 HG21 VAL 12 1HG2 VAL 12 -1.482 4.473 -3.798
102 HG22 VAL 12 2HG2 VAL 12 -2.654 4.531 -5.115
103 HG23 VAL 12 3HG2 VAL 12 -0.969 4.133 -5.451
104 H LYS 13 H LYS 13 -1.564 8.211 -7.588
105 HA LYS 13 HA LYS 13 -0.923 10.625 -6.176
106 HB2 LYS 13 2HB LYS 13 0.446 10.955 -7.910
107 HB3 LYS 13 3HB LYS 13 -0.108 9.419 -8.563
108 HG2 LYS 13 2HG LYS 13 -1.873 10.579 -9.793
109 HG3 LYS 13 3HG LYS 13 -1.311 12.120 -9.141
110 HD2 LYS 13 2HD LYS 13 0.428 10.266 -10.760
111 HD3 LYS 13 3HD LYS 13 -0.518 11.578 -11.468
112 HE2 LYS 13 2HE LYS 13 1.074 12.433 -9.185
113 HE3 LYS 13 3HE LYS 13 2.055 11.764 -10.488
114 HZ1 LYS 13 1HZ LYS 13 0.493 13.320 -11.908
115 HZ2 LYS 13 2HZ LYS 13 1.908 13.901 -11.186
116 HZ3 LYS 13 3HZ LYS 13 0.409 14.177 -10.452
117 H LYS 14 H LYS 14 -3.492 9.539 -8.301
118 HA LYS 14 HA LYS 14 -4.643 12.148 -8.640
119 HB2 LYS 14 2HB LYS 14 -5.723 9.382 -9.205
120 HB3 LYS 14 3HB LYS 14 -6.560 10.872 -9.622
121 HG2 LYS 14 2HG LYS 14 -3.908 9.931 -10.690
122 HG3 LYS 14 3HG LYS 14 -5.440 10.017 -11.563
123 HD2 LYS 14 2HD LYS 14 -5.443 12.471 -11.227
124 HD3 LYS 14 3HD LYS 14 -3.856 12.340 -10.466
125 HE2 LYS 14 2HE LYS 14 -2.944 12.524 -12.484
126 HE3 LYS 14 3HE LYS 14 -3.649 10.961 -12.893
127 HZ1 LYS 14 1HZ LYS 14 -4.450 12.352 -14.535
128 HZ2 LYS 14 2HZ LYS 14 -4.671 13.661 -13.487
129 HZ3 LYS 14 3HZ LYS 14 -5.730 12.344 -13.429
130 H LEU 15 H LEU 15 -5.507 9.251 -6.765
131 HA LEU 15 HA LEU 15 -7.811 10.237 -5.555
132 HB2 LEU 15 2HB LEU 15 -5.797 8.164 -4.822
133 HB3 LEU 15 3HB LEU 15 -7.020 8.627 -3.640
134 HG LEU 15 HG LEU 15 -7.466 6.569 -5.096
135 HD11 LEU 15 1HD1 LEU 15 -9.229 8.746 -4.281
136 HD12 LEU 15 2HD1 LEU 15 -9.386 7.006 -4.044
137 HD13 LEU 15 3HD1 LEU 15 -9.895 7.738 -5.565
138 HD21 LEU 15 1HD2 LEU 15 -8.449 7.002 -7.275
139 HD22 LEU 15 2HD2 LEU 15 -6.784 7.581 -7.224
140 HD23 LEU 15 3HD2 LEU 15 -8.121 8.726 -7.101
141 H THR 16 H THR 16 -4.441 10.763 -4.790
142 HA THR 16 HA THR 16 -4.902 11.933 -2.222
143 HB THR 16 HB THR 16 -2.490 12.121 -4.038
144 HG1 THR 16 HG1 THR 16 -1.738 10.598 -2.287
145 HG21 THR 16 1HG2 THR 16 -1.664 12.455 -1.418
146 HG22 THR 16 2HG2 THR 16 -3.137 13.419 -1.517
147 HG23 THR 16 3HG2 THR 16 -1.807 13.724 -2.634
148 H GLN 17 H GLN 17 -4.808 13.105 -5.501
149 HA GLN 17 HA GLN 17 -4.344 15.811 -5.106
150 HB2 GLN 17 2HB GLN 17 -4.943 14.251 -7.261
151 HB3 GLN 17 3HB GLN 17 -6.424 15.186 -7.095
152 HG2 GLN 17 2HG GLN 17 -5.412 17.154 -7.627
153 HG3 GLN 17 3HG GLN 17 -3.843 16.644 -7.004
154 HE21 GLN 17 1HE2 GLN 17 -2.465 15.466 -8.311
155 HE22 GLN 17 2HE2 GLN 17 -2.701 15.320 -10.016
156 H TYR 18 H TYR 18 -7.136 13.907 -4.358
157 HA TYR 18 HA TYR 18 -8.781 16.281 -3.912
158 HB2 TYR 18 2HB TYR 18 -9.463 13.341 -3.710
159 HB3 TYR 18 3HB TYR 18 -10.604 14.662 -3.483
160 HD1 TYR 18 HD1 TYR 18 -11.760 15.541 -5.312
161 HD2 TYR 18 HD2 TYR 18 -8.285 13.181 -5.991
162 HE1 TYR 18 HE1 TYR 18 -12.229 15.556 -7.726
163 HE2 TYR 18 HE2 TYR 18 -8.744 13.191 -8.407
164 HH TYR 18 HH TYR 18 -11.353 13.646 -9.781
165 H GLU 19 H GLU 19 -7.008 13.836 -2.192
166 HA GLU 19 HA GLU 19 -8.220 14.280 0.355
167 HB2 GLU 19 2HB GLU 19 -5.557 13.037 -0.355
168 HB3 GLU 19 3HB GLU 19 -6.306 12.984 1.235
169 HG2 GLU 19 2HG GLU 19 -7.633 11.879 -1.220
170 HG3 GLU 19 3HG GLU 19 -6.558 10.926 -0.199
171 H ILE 20 H ILE 20 -5.395 15.553 -1.316
172 HA ILE 20 HA ILE 20 -4.109 16.855 0.760
173 HB ILE 20 HB ILE 20 -4.405 17.834 -2.082
174 HG12 ILE 20 2HG1 ILE 20 -1.924 16.510 -1.168
175 HG13 ILE 20 3HG1 ILE 20 -3.333 15.465 -1.308
176 HG21 ILE 20 1HG2 ILE 20 -3.256 19.617 -1.432
177 HG22 ILE 20 2HG2 ILE 20 -3.124 18.983 0.207
178 HG23 ILE 20 3HG2 ILE 20 -1.915 18.555 -1.004
179 HD11 ILE 20 1HD1 ILE 20 -3.342 16.949 -3.647
180 HD12 ILE 20 2HD1 ILE 20 -1.643 16.566 -3.364
181 HD13 ILE 20 3HD1 ILE 20 -2.836 15.270 -3.454
182 H ALA 21 H ALA 21 -7.004 17.763 -0.984
183 HA ALA 21 HA ALA 21 -7.236 20.442 -0.377
184 HB1 ALA 21 1HB ALA 21 -9.807 19.283 -0.062
185 HB2 ALA 21 2HB ALA 21 -9.146 20.133 -1.459
186 HB3 ALA 21 3HB ALA 21 -8.951 18.386 -1.317
187 H TRP 22 H TRP 22 -8.170 17.662 1.623
188 HA TRP 22 HA TRP 22 -9.379 18.974 3.729
189 HB2 TRP 22 2HB TRP 22 -9.379 16.564 3.610
190 HB3 TRP 22 3HB TRP 22 -7.625 16.512 3.767
191 HD1 TRP 22 HD1 TRP 22 -6.605 17.095 6.221
192 HE1 TRP 22 HE1 TRP 22 -7.641 16.851 8.564
193 HE3 TRP 22 HE3 TRP 22 -11.526 16.697 4.894
194 HZ2 TRP 22 HZ2 TRP 22 -10.205 16.531 9.700
195 HZ3 TRP 22 HZ3 TRP 22 -13.208 16.424 6.670
196 HH2 TRP 22 HH2 TRP 22 -12.559 16.342 9.022
197 H PHE 23 H PHE 23 -5.925 18.364 3.212
198 HA PHE 23 HA PHE 23 -5.142 19.642 5.656
199 HB2 PHE 23 2HB PHE 23 -3.620 18.017 4.940
200 HB3 PHE 23 3HB PHE 23 -3.672 18.568 3.269
201 HD1 PHE 23 HD1 PHE 23 -2.151 20.170 2.469
202 HD2 PHE 23 HD2 PHE 23 -2.430 19.406 6.647
203 HE1 PHE 23 HE1 PHE 23 -0.117 21.502 2.845
204 HE2 PHE 23 HE2 PHE 23 -0.396 20.737 7.030
205 HZ PHE 23 HZ PHE 23 0.762 21.788 5.128
206 H LYS 24 H LYS 24 -5.619 20.624 2.351
207 HA LYS 24 HA LYS 24 -4.149 23.016 2.358
208 HB2 LYS 24 2HB LYS 24 -5.026 21.998 0.308
209 HB3 LYS 24 3HB LYS 24 -6.670 22.330 0.835
210 HG2 LYS 24 2HG LYS 24 -6.376 24.103 -0.541
211 HG3 LYS 24 3HG LYS 24 -5.733 24.808 0.943
212 HD2 LYS 24 2HD LYS 24 -3.460 23.955 0.171
213 HD3 LYS 24 3HD LYS 24 -4.221 23.675 -1.397
214 HE2 LYS 24 2HE LYS 24 -4.274 26.333 0.017
215 HE3 LYS 24 3HE LYS 24 -3.018 25.877 -1.132
216 HZ1 LYS 24 1HZ LYS 24 -4.602 25.720 -2.863
217 HZ2 LYS 24 2HZ LYS 24 -4.901 27.188 -2.079
218 HZ3 LYS 24 3HZ LYS 24 -5.907 25.858 -1.796
219 H ASN 25 H ASN 25 -7.281 22.207 3.653
220 HA ASN 25 HA ASN 25 -8.102 24.937 4.040
221 HB2 ASN 25 2HB ASN 25 -9.211 22.308 5.036
222 HB3 ASN 25 3HB ASN 25 -9.938 23.869 5.408
223 HD21 ASN 25 1HD2 ASN 25 -10.082 21.292 3.398
224 HD22 ASN 25 2HD2 ASN 25 -10.871 22.018 2.044
225 H LYS 26 H LYS 26 -5.978 22.864 5.612
226 HA LYS 26 HA LYS 26 -6.379 24.051 8.248
227 HB2 LYS 26 2HB LYS 26 -4.260 22.050 7.482
228 HB3 LYS 26 3HB LYS 26 -4.895 22.396 9.085
229 HG2 LYS 26 2HG LYS 26 -6.481 21.149 6.850
230 HG3 LYS 26 3HG LYS 26 -5.689 20.254 8.149
231 HD2 LYS 26 2HD LYS 26 -7.303 22.377 9.231
232 HD3 LYS 26 3HD LYS 26 -8.266 21.356 8.159
233 HE2 LYS 26 2HE LYS 26 -8.494 20.231 10.147
234 HE3 LYS 26 3HE LYS 26 -7.091 19.412 9.464
235 HZ1 LYS 26 1HZ LYS 26 -7.120 20.360 11.918
236 HZ2 LYS 26 2HZ LYS 26 -6.580 21.754 11.126
237 HZ3 LYS 26 3HZ LYS 26 -5.706 20.311 10.991
238 H HIS 27 H HIS 27 -4.176 24.136 5.541
239 HA HIS 27 HA HIS 27 -2.800 26.398 6.790
240 HB2 HIS 27 2HB HIS 27 -1.341 24.128 5.422
241 HB3 HIS 27 3HB HIS 27 -0.609 25.567 6.125
242 HD1 HIS 27 HD1 HIS 27 -2.379 22.392 7.132
243 HD2 HIS 27 HD2 HIS 27 -0.108 25.430 8.827
244 HE1 HIS 27 HE1 HIS 27 -1.875 21.628 9.474
245 H GLY 28 H GLY 28 -3.210 24.462 3.836
246 HA2 GLY 28 2HA GLY 28 -3.989 25.404 1.792
247 HA3 GLY 28 3HA GLY 28 -3.393 26.970 2.321
248 H TYR 29 H TYR 29 -1.444 24.099 2.623
249 HA TYR 29 HA TYR 29 0.192 25.002 0.345
250 HB2 TYR 29 2HB TYR 29 1.053 24.205 3.115
251 HB3 TYR 29 3HB TYR 29 2.158 24.088 1.750
252 HD1 TYR 29 HD1 TYR 29 -0.127 26.542 3.397
253 HD2 TYR 29 HD2 TYR 29 3.481 25.914 1.232
254 HE1 TYR 29 HE1 TYR 29 0.437 28.922 3.659
255 HE2 TYR 29 HE2 TYR 29 4.056 28.292 1.488
256 HH TYR 29 HH TYR 29 2.784 30.461 1.871
257 H TYR 30 H TYR 30 2.035 23.068 0.182
258 HA TYR 30 HA TYR 30 0.713 20.474 0.260
259 HB2 TYR 30 2HB TYR 30 1.964 21.306 -2.335
260 HB3 TYR 30 3HB TYR 30 0.788 20.033 -2.026
261 HD1 TYR 30 HD1 TYR 30 -1.547 20.469 -2.117
262 HD2 TYR 30 HD2 TYR 30 1.226 23.688 -2.343
263 HE1 TYR 30 HE1 TYR 30 -3.366 21.982 -2.788
264 HE2 TYR 30 HE2 TYR 30 -0.586 25.210 -3.013
265 HH TYR 30 HH TYR 30 -3.760 24.047 -3.815
266 HA PRO 31 HA PRO 31 5.406 19.897 -0.743
267 HB2 PRO 31 2HB PRO 31 6.907 22.144 -1.003
268 HB3 PRO 31 3HB PRO 31 6.079 21.379 -2.365
269 HG2 PRO 31 2HG PRO 31 5.249 23.746 -0.731
270 HG3 PRO 31 3HG PRO 31 5.171 23.516 -2.488
271 HD2 PRO 31 2HD PRO 31 3.011 23.220 -0.883
272 HD3 PRO 31 3HD PRO 31 3.236 22.270 -2.365
273 H TRP 32 H TRP 32 7.632 20.900 0.364
274 HA TRP 32 HA TRP 32 7.031 20.789 3.186
275 HB2 TRP 32 2HB TRP 32 9.299 20.348 3.519
276 HB3 TRP 32 3HB TRP 32 8.995 19.645 1.933
277 HD1 TRP 32 HD1 TRP 32 11.015 22.321 3.670
278 HE1 TRP 32 HE1 TRP 32 12.599 23.431 1.971
279 HE3 TRP 32 HE3 TRP 32 9.140 20.294 -0.632
280 HZ2 TRP 32 HZ2 TRP 32 12.999 23.446 -0.823
281 HZ3 TRP 32 HZ3 TRP 32 10.179 20.908 -2.776
282 HH2 TRP 32 HH2 TRP 32 12.068 22.452 -2.867
283 H GLU 33 H GLU 33 6.879 23.236 1.095
284 HA GLU 33 HA GLU 33 8.304 25.239 2.636
285 HB2 GLU 33 2HB GLU 33 6.431 25.722 0.323
286 HB3 GLU 33 3HB GLU 33 7.699 26.781 0.922
287 HG2 GLU 33 2HG GLU 33 9.400 25.290 0.129
288 HG3 GLU 33 3HG GLU 33 8.193 24.089 -0.325
289 H ILE 34 H ILE 34 6.478 24.043 4.252
290 HA ILE 34 HA ILE 34 4.116 25.764 4.330
291 HB ILE 34 HB ILE 34 4.822 23.385 6.054
292 HG12 ILE 34 2HG1 ILE 34 2.596 23.369 4.070
293 HG13 ILE 34 3HG1 ILE 34 4.240 23.208 3.462
294 HG21 ILE 34 1HG2 ILE 34 3.335 25.032 7.140
295 HG22 ILE 34 2HG2 ILE 34 2.206 24.861 5.796
296 HG23 ILE 34 3HG2 ILE 34 2.543 23.484 6.845
297 HD11 ILE 34 1HD1 ILE 34 2.783 21.114 4.104
298 HD12 ILE 34 2HD1 ILE 34 4.524 21.151 4.389
299 HD13 ILE 34 3HD1 ILE 34 3.407 21.469 5.715
300 HA PRO 35 HA PRO 35 5.963 28.405 7.360
301 HB2 PRO 35 2HB PRO 35 3.693 29.669 8.148
302 HB3 PRO 35 3HB PRO 35 4.499 30.011 6.613
303 HG2 PRO 35 2HG PRO 35 2.118 28.281 7.158
304 HG3 PRO 35 3HG PRO 35 2.382 29.438 5.841
305 HD2 PRO 35 2HD PRO 35 2.688 26.768 5.517
306 HD3 PRO 35 3HD PRO 35 3.661 27.955 4.626
307 H ARG 36 H ARG 36 5.023 29.226 9.682
308 HA ARG 36 HA ARG 36 4.481 26.751 11.183
309 HB2 ARG 36 2HB ARG 36 5.777 29.235 12.296
310 HB3 ARG 36 3HB ARG 36 5.740 27.625 13.001
311 HG2 ARG 36 2HG ARG 36 7.231 28.445 10.517
312 HG3 ARG 36 3HG ARG 36 7.932 28.119 12.104
313 HD2 ARG 36 2HD ARG 36 6.494 26.149 10.330
314 HD3 ARG 36 3HD ARG 36 8.226 26.202 10.652
315 HE ARG 36 HE ARG 36 6.758 25.951 13.064
316 HH11 ARG 36 1HH1 ARG 36 7.815 24.150 10.278
317 HH12 ARG 36 2HH1 ARG 36 7.822 22.626 11.103
318 HH21 ARG 36 1HH2 ARG 36 6.763 23.951 14.161
319 HH22 ARG 36 2HH2 ARG 36 7.223 22.514 13.312
320 H CYS 37 H CYS 37 3.293 27.046 13.238
321 HA CYS 37 HA CYS 37 0.864 28.435 12.793
322 HB2 CYS 37 2HB CYS 37 1.959 26.616 14.795
323 HB3 CYS 37 3HB CYS 37 0.911 27.841 15.501
324 HG CYS 37 HG CYS 37 -0.847 25.858 15.187
Start of MODEL 18
1 H MET 1 H MET 1 6.957 -2.677 -0.045
2 HA MET 1 HA MET 1 5.030 -1.677 -1.300
3 HB2 MET 1 2HB MET 1 5.852 -0.872 1.433
4 HB3 MET 1 3HB MET 1 4.557 0.062 0.696
5 HG2 MET 1 2HG MET 1 3.815 -2.532 0.183
6 HG3 MET 1 3HG MET 1 4.534 -2.629 1.789
7 HE1 MET 1 1HE MET 1 2.276 -0.897 -0.544
8 HE2 MET 1 2HE MET 1 0.771 -0.671 0.347
9 HE3 MET 1 3HE MET 1 2.026 0.567 0.407
10 H LYS 2 H LYS 2 3.975 0.560 -1.513
11 HA LYS 2 HA LYS 2 3.956 2.539 -2.639
12 HB2 LYS 2 2HB LYS 2 6.298 2.813 -0.789
13 HB3 LYS 2 3HB LYS 2 5.951 4.089 -1.949
14 HG2 LYS 2 2HG LYS 2 4.002 4.696 -0.911
15 HG3 LYS 2 3HG LYS 2 3.751 3.096 -0.207
16 HD2 LYS 2 2HD LYS 2 5.901 3.643 1.146
17 HD3 LYS 2 3HD LYS 2 5.539 5.315 0.712
18 HE2 LYS 2 2HE LYS 2 3.147 4.702 1.580
19 HE3 LYS 2 3HE LYS 2 4.003 3.419 2.434
20 HZ1 LYS 2 1HZ LYS 2 5.296 5.951 2.713
21 HZ2 LYS 2 2HZ LYS 2 4.791 4.864 3.906
22 HZ3 LYS 2 3HZ LYS 2 3.702 5.996 3.279
23 H PHE 3 H PHE 3 4.532 0.910 -4.464
24 HA PHE 3 HA PHE 3 7.161 1.105 -5.580
25 HB2 PHE 3 2HB PHE 3 4.565 -0.104 -6.447
26 HB3 PHE 3 3HB PHE 3 5.846 0.117 -7.635
27 HD1 PHE 3 HD1 PHE 3 5.811 -0.966 -4.063
28 HD2 PHE 3 HD2 PHE 3 6.882 -1.877 -8.081
29 HE1 PHE 3 HE1 PHE 3 6.866 -3.056 -3.305
30 HE2 PHE 3 HE2 PHE 3 7.937 -3.968 -7.329
31 HZ PHE 3 HZ PHE 3 7.930 -4.560 -4.938
32 H LYS 4 H LYS 4 7.509 1.884 -7.841
33 HA LYS 4 HA LYS 4 6.027 4.392 -8.292
34 HB2 LYS 4 2HB LYS 4 8.886 3.829 -9.088
35 HB3 LYS 4 3HB LYS 4 8.044 5.371 -9.171
36 HG2 LYS 4 2HG LYS 4 9.007 5.806 -7.213
37 HG3 LYS 4 3HG LYS 4 7.807 4.711 -6.523
38 HD2 LYS 4 2HD LYS 4 9.520 2.858 -7.108
39 HD3 LYS 4 3HD LYS 4 10.677 4.188 -7.207
40 HE2 LYS 4 2HE LYS 4 8.910 3.718 -4.816
41 HE3 LYS 4 3HE LYS 4 10.517 3.012 -4.974
42 HZ1 LYS 4 1HZ LYS 4 11.073 4.906 -3.904
43 HZ2 LYS 4 2HZ LYS 4 9.743 5.777 -4.480
44 HZ3 LYS 4 3HZ LYS 4 11.091 5.537 -5.473
45 H PHE 5 H PHE 5 7.208 1.442 -9.663
46 HA PHE 5 HA PHE 5 6.625 2.247 -12.389
47 HB2 PHE 5 2HB PHE 5 7.414 -0.469 -11.314
48 HB3 PHE 5 3HB PHE 5 7.391 0.016 -13.007
49 HD1 PHE 5 HD1 PHE 5 9.231 0.074 -9.897
50 HD2 PHE 5 HD2 PHE 5 9.036 1.662 -13.841
51 HE1 PHE 5 HE1 PHE 5 11.566 0.826 -9.706
52 HE2 PHE 5 HE2 PHE 5 11.370 2.416 -13.657
53 HZ PHE 5 HZ PHE 5 12.639 1.997 -11.588
54 H ASN 6 H ASN 6 5.186 0.353 -9.823
55 HA ASN 6 HA ASN 6 3.291 -1.114 -11.187
56 HB2 ASN 6 2HB ASN 6 3.411 0.086 -8.458
57 HB3 ASN 6 3HB ASN 6 1.871 -0.566 -9.009
58 HD21 ASN 6 1HD2 ASN 6 2.533 -2.742 -10.411
59 HD22 ASN 6 2HD2 ASN 6 3.352 -3.893 -9.416
60 HA PRO 7 HA PRO 7 0.312 1.628 -12.874
61 HB2 PRO 7 2HB PRO 7 -2.024 0.339 -12.373
62 HB3 PRO 7 3HB PRO 7 -0.857 -0.221 -13.576
63 HG2 PRO 7 2HG PRO 7 -1.291 -1.173 -10.771
64 HG3 PRO 7 3HG PRO 7 -1.008 -2.121 -12.243
65 HD2 PRO 7 2HD PRO 7 0.948 -1.609 -10.443
66 HD3 PRO 7 3HD PRO 7 1.269 -1.773 -12.181
67 H THR 8 H THR 8 -0.296 0.556 -9.567
68 HA THR 8 HA THR 8 -2.300 2.371 -8.870
69 HB THR 8 HB THR 8 -1.460 0.395 -7.502
70 HG1 THR 8 HG1 THR 8 -2.067 1.452 -5.560
71 HG21 THR 8 1HG2 THR 8 0.927 1.068 -7.522
72 HG22 THR 8 2HG2 THR 8 0.301 0.808 -5.894
73 HG23 THR 8 3HG2 THR 8 0.517 2.448 -6.504
74 H GLY 9 H GLY 9 1.031 2.888 -9.495
75 HA2 GLY 9 2HA GLY 9 1.698 5.034 -7.891
76 HA3 GLY 9 3HA GLY 9 2.281 4.815 -9.534
77 H THR 10 H THR 10 -0.156 5.068 -10.907
78 HA THR 10 HA THR 10 -0.380 7.923 -10.967
79 HB THR 10 HB THR 10 -2.011 5.861 -12.461
80 HG1 THR 10 HG1 THR 10 -0.426 5.850 -13.913
81 HG21 THR 10 1HG2 THR 10 -1.604 8.406 -13.772
82 HG22 THR 10 2HG2 THR 10 -2.408 8.611 -12.215
83 HG23 THR 10 3HG2 THR 10 -3.106 7.545 -13.434
84 H ILE 11 H ILE 11 -2.664 5.284 -10.252
85 HA ILE 11 HA ILE 11 -4.889 6.818 -9.635
86 HB ILE 11 HB ILE 11 -4.045 4.206 -8.376
87 HG12 ILE 11 2HG1 ILE 11 -6.105 3.711 -10.142
88 HG13 ILE 11 3HG1 ILE 11 -5.169 4.945 -10.978
89 HG21 ILE 11 1HG2 ILE 11 -5.726 5.313 -7.023
90 HG22 ILE 11 2HG2 ILE 11 -6.740 5.556 -8.444
91 HG23 ILE 11 3HG2 ILE 11 -6.430 3.924 -7.850
92 HD11 ILE 11 1HD1 ILE 11 -4.171 3.040 -11.742
93 HD12 ILE 11 2HD1 ILE 11 -3.155 3.400 -10.346
94 HD13 ILE 11 3HD1 ILE 11 -4.414 2.171 -10.228
95 H VAL 12 H VAL 12 -2.463 5.533 -7.356
96 HA VAL 12 HA VAL 12 -3.438 6.688 -5.035
97 HB VAL 12 HB VAL 12 -0.562 6.162 -5.792
98 HG11 VAL 12 1HG1 VAL 12 -1.790 6.725 -3.096
99 HG12 VAL 12 2HG1 VAL 12 -0.139 6.159 -3.358
100 HG13 VAL 12 3HG1 VAL 12 -0.638 7.740 -3.963
101 HG21 VAL 12 1HG2 VAL 12 -2.485 4.323 -5.597
102 HG22 VAL 12 2HG2 VAL 12 -0.826 4.021 -5.080
103 HG23 VAL 12 3HG2 VAL 12 -2.056 4.451 -3.892
104 H LYS 13 H LYS 13 -1.583 8.116 -7.626
105 HA LYS 13 HA LYS 13 -0.919 10.511 -6.192
106 HB2 LYS 13 2HB LYS 13 0.466 10.835 -7.914
107 HB3 LYS 13 3HB LYS 13 -0.105 9.312 -8.583
108 HG2 LYS 13 2HG LYS 13 -1.846 10.504 -9.815
109 HG3 LYS 13 3HG LYS 13 -1.268 12.032 -9.147
110 HD2 LYS 13 2HD LYS 13 0.621 10.239 -10.617
111 HD3 LYS 13 3HD LYS 13 -0.492 11.271 -11.518
112 HE2 LYS 13 2HE LYS 13 0.529 13.000 -9.661
113 HE3 LYS 13 3HE LYS 13 1.913 11.962 -9.999
114 HZ1 LYS 13 1HZ LYS 13 1.070 14.085 -11.503
115 HZ2 LYS 13 2HZ LYS 13 0.558 12.737 -12.386
116 HZ3 LYS 13 3HZ LYS 13 2.190 12.907 -11.974
117 H LYS 14 H LYS 14 -3.488 9.475 -8.341
118 HA LYS 14 HA LYS 14 -4.602 12.101 -8.668
119 HB2 LYS 14 2HB LYS 14 -5.715 9.355 -9.261
120 HB3 LYS 14 3HB LYS 14 -6.529 10.859 -9.672
121 HG2 LYS 14 2HG LYS 14 -3.883 9.891 -10.730
122 HG3 LYS 14 3HG LYS 14 -5.408 10.003 -11.613
123 HD2 LYS 14 2HD LYS 14 -5.381 12.455 -11.259
124 HD3 LYS 14 3HD LYS 14 -3.801 12.297 -10.487
125 HE2 LYS 14 2HE LYS 14 -2.746 11.737 -12.469
126 HE3 LYS 14 3HE LYS 14 -4.239 11.188 -13.228
127 HZ1 LYS 14 1HZ LYS 14 -3.060 13.787 -13.226
128 HZ2 LYS 14 2HZ LYS 14 -4.669 13.835 -12.708
129 HZ3 LYS 14 3HZ LYS 14 -4.285 13.164 -14.212
130 H LEU 15 H LEU 15 -5.517 9.202 -6.821
131 HA LEU 15 HA LEU 15 -7.816 10.207 -5.619
132 HB2 LEU 15 2HB LEU 15 -5.832 8.106 -4.886
133 HB3 LEU 15 3HB LEU 15 -7.056 8.575 -3.709
134 HG LEU 15 HG LEU 15 -7.518 6.533 -5.181
135 HD11 LEU 15 1HD1 LEU 15 -9.184 8.539 -4.100
136 HD12 LEU 15 2HD1 LEU 15 -9.570 6.846 -4.410
137 HD13 LEU 15 3HD1 LEU 15 -9.876 8.061 -5.651
138 HD21 LEU 15 1HD2 LEU 15 -8.133 8.711 -7.176
139 HD22 LEU 15 2HD2 LEU 15 -8.483 6.992 -7.364
140 HD23 LEU 15 3HD2 LEU 15 -6.811 7.550 -7.299
141 H THR 16 H THR 16 -4.445 10.688 -4.828
142 HA THR 16 HA THR 16 -4.908 11.845 -2.255
143 HB THR 16 HB THR 16 -2.485 12.023 -4.056
144 HG1 THR 16 HG1 THR 16 -3.047 10.364 -1.803
145 HG21 THR 16 1HG2 THR 16 -1.638 12.333 -1.456
146 HG22 THR 16 2HG2 THR 16 -3.129 13.274 -1.498
147 HG23 THR 16 3HG2 THR 16 -1.829 13.630 -2.635
148 H GLN 17 H GLN 17 -4.785 13.040 -5.525
149 HA GLN 17 HA GLN 17 -4.295 15.739 -5.107
150 HB2 GLN 17 2HB GLN 17 -4.762 14.285 -7.292
151 HB3 GLN 17 3HB GLN 17 -6.363 14.988 -7.111
152 HG2 GLN 17 2HG GLN 17 -5.510 17.193 -7.302
153 HG3 GLN 17 3HG GLN 17 -3.846 16.625 -7.182
154 HE21 GLN 17 1HE2 GLN 17 -2.848 16.786 -9.046
155 HE22 GLN 17 2HE2 GLN 17 -3.525 16.458 -10.602
156 H TYR 18 H TYR 18 -7.110 13.858 -4.387
157 HA TYR 18 HA TYR 18 -8.732 16.246 -3.932
158 HB2 TYR 18 2HB TYR 18 -9.446 13.312 -3.757
159 HB3 TYR 18 3HB TYR 18 -10.574 14.643 -3.524
160 HD1 TYR 18 HD1 TYR 18 -11.713 15.550 -5.350
161 HD2 TYR 18 HD2 TYR 18 -8.261 13.158 -6.034
162 HE1 TYR 18 HE1 TYR 18 -12.171 15.591 -7.766
163 HE2 TYR 18 HE2 TYR 18 -8.708 13.194 -8.452
164 HH TYR 18 HH TYR 18 -10.476 15.272 -9.966
165 H GLU 19 H GLU 19 -6.994 13.771 -2.221
166 HA GLU 19 HA GLU 19 -8.215 14.207 0.323
167 HB2 GLU 19 2HB GLU 19 -5.561 12.942 -0.384
168 HB3 GLU 19 3HB GLU 19 -6.318 12.885 1.202
169 HG2 GLU 19 2HG GLU 19 -7.643 11.811 -1.268
170 HG3 GLU 19 3HG GLU 19 -6.584 10.840 -0.247
171 H ILE 20 H ILE 20 -5.370 15.466 -1.325
172 HA ILE 20 HA ILE 20 -4.081 16.737 0.767
173 HB ILE 20 HB ILE 20 -4.355 17.743 -2.068
174 HG12 ILE 20 2HG1 ILE 20 -1.890 16.389 -1.156
175 HG13 ILE 20 3HG1 ILE 20 -3.308 15.358 -1.308
176 HG21 ILE 20 1HG2 ILE 20 -3.193 19.510 -1.398
177 HG22 ILE 20 2HG2 ILE 20 -3.072 18.860 0.236
178 HG23 ILE 20 3HG2 ILE 20 -1.863 18.432 -0.974
179 HD11 ILE 20 1HD1 ILE 20 -1.604 16.469 -3.352
180 HD12 ILE 20 2HD1 ILE 20 -2.798 15.175 -3.455
181 HD13 ILE 20 3HD1 ILE 20 -3.301 16.856 -3.636
182 H ALA 21 H ALA 21 -6.960 17.688 -0.980
183 HA ALA 21 HA ALA 21 -7.168 20.364 -0.352
184 HB1 ALA 21 1HB ALA 21 -9.706 19.849 -0.291
185 HB2 ALA 21 2HB ALA 21 -8.809 19.577 -1.785
186 HB3 ALA 21 3HB ALA 21 -9.214 18.216 -0.740
187 H TRP 22 H TRP 22 -8.135 17.577 1.622
188 HA TRP 22 HA TRP 22 -9.340 18.883 3.734
189 HB2 TRP 22 2HB TRP 22 -9.339 16.462 3.566
190 HB3 TRP 22 3HB TRP 22 -7.592 16.415 3.792
191 HD1 TRP 22 HD1 TRP 22 -6.690 17.112 6.296
192 HE1 TRP 22 HE1 TRP 22 -7.812 16.803 8.591
193 HE3 TRP 22 HE3 TRP 22 -11.513 16.409 4.753
194 HZ2 TRP 22 HZ2 TRP 22 -10.400 16.323 9.613
195 HZ3 TRP 22 HZ3 TRP 22 -13.252 16.030 6.453
196 HH2 TRP 22 HH2 TRP 22 -12.704 15.988 8.832
197 H PHE 23 H PHE 23 -5.890 18.244 3.224
198 HA PHE 23 HA PHE 23 -5.104 19.495 5.681
199 HB2 PHE 23 2HB PHE 23 -3.594 17.861 4.957
200 HB3 PHE 23 3HB PHE 23 -3.634 18.426 3.290
201 HD1 PHE 23 HD1 PHE 23 -2.096 20.021 2.509
202 HD2 PHE 23 HD2 PHE 23 -2.397 19.224 6.680
203 HE1 PHE 23 HE1 PHE 23 -0.050 21.330 2.903
204 HE2 PHE 23 HE2 PHE 23 -0.352 20.533 7.081
205 HZ PHE 23 HZ PHE 23 0.823 21.589 5.192
206 H LYS 24 H LYS 24 -5.560 20.509 2.382
207 HA LYS 24 HA LYS 24 -4.066 22.885 2.414
208 HB2 LYS 24 2HB LYS 24 -4.946 21.893 0.353
209 HB3 LYS 24 3HB LYS 24 -6.589 22.236 0.878
210 HG2 LYS 24 2HG LYS 24 -6.274 24.017 -0.484
211 HG3 LYS 24 3HG LYS 24 -5.630 24.704 1.009
212 HD2 LYS 24 2HD LYS 24 -3.362 23.836 0.238
213 HD3 LYS 24 3HD LYS 24 -4.119 23.577 -1.335
214 HE2 LYS 24 2HE LYS 24 -4.152 26.223 0.102
215 HE3 LYS 24 3HE LYS 24 -2.897 25.765 -1.047
216 HZ1 LYS 24 1HZ LYS 24 -4.878 27.104 -1.899
217 HZ2 LYS 24 2HZ LYS 24 -5.751 25.660 -1.792
218 HZ3 LYS 24 3HZ LYS 24 -4.397 25.756 -2.801
219 H ASN 25 H ASN 25 -7.210 22.096 3.692
220 HA ASN 25 HA ASN 25 -8.005 24.832 4.099
221 HB2 ASN 25 2HB ASN 25 -9.143 22.199 5.049
222 HB3 ASN 25 3HB ASN 25 -9.849 23.757 5.468
223 HD21 ASN 25 1HD2 ASN 25 -9.989 21.239 3.362
224 HD22 ASN 25 2HD2 ASN 25 -10.795 22.012 2.043
225 H LYS 26 H LYS 26 -5.908 22.724 5.661
226 HA LYS 26 HA LYS 26 -6.306 23.893 8.306
227 HB2 LYS 26 2HB LYS 26 -4.203 21.879 7.530
228 HB3 LYS 26 3HB LYS 26 -4.841 22.217 9.133
229 HG2 LYS 26 2HG LYS 26 -6.431 21.005 6.882
230 HG3 LYS 26 3HG LYS 26 -5.651 20.090 8.175
231 HD2 LYS 26 2HD LYS 26 -7.450 22.309 8.972
232 HD3 LYS 26 3HD LYS 26 -8.201 20.862 8.296
233 HE2 LYS 26 2HE LYS 26 -8.123 20.114 10.414
234 HE3 LYS 26 3HE LYS 26 -6.436 19.766 10.038
235 HZ1 LYS 26 1HZ LYS 26 -7.486 22.190 11.391
236 HZ2 LYS 26 2HZ LYS 26 -5.874 21.984 10.923
237 HZ3 LYS 26 3HZ LYS 26 -6.553 20.964 12.090
238 H HIS 27 H HIS 27 -4.094 23.980 5.607
239 HA HIS 27 HA HIS 27 -2.701 26.219 6.879
240 HB2 HIS 27 2HB HIS 27 -1.258 23.947 5.498
241 HB3 HIS 27 3HB HIS 27 -0.516 25.374 6.215
242 HD1 HIS 27 HD1 HIS 27 -2.318 22.207 7.189
243 HD2 HIS 27 HD2 HIS 27 -0.026 25.210 8.918
244 HE1 HIS 27 HE1 HIS 27 -1.829 21.418 9.526
245 H GLY 28 H GLY 28 -3.118 24.312 3.908
246 HA2 GLY 28 2HA GLY 28 -3.882 25.277 1.869
247 HA3 GLY 28 3HA GLY 28 -3.273 26.834 2.413
248 H TYR 29 H TYR 29 -1.352 23.942 2.697
249 HA TYR 29 HA TYR 29 0.300 24.848 0.433
250 HB2 TYR 29 2HB TYR 29 1.144 24.021 3.199
251 HB3 TYR 29 3HB TYR 29 2.252 23.904 1.837
252 HD1 TYR 29 HD1 TYR 29 -0.014 26.366 3.497
253 HD2 TYR 29 HD2 TYR 29 3.594 25.722 1.336
254 HE1 TYR 29 HE1 TYR 29 0.572 28.738 3.780
255 HE2 TYR 29 HE2 TYR 29 4.190 28.092 1.614
256 HH TYR 29 HH TYR 29 1.964 30.383 3.117
257 H TYR 30 H TYR 30 2.125 22.898 0.261
258 HA TYR 30 HA TYR 30 0.779 20.315 0.313
259 HB2 TYR 30 2HB TYR 30 2.047 21.156 -2.271
260 HB3 TYR 30 3HB TYR 30 0.858 19.892 -1.976
261 HD1 TYR 30 HD1 TYR 30 1.333 23.546 -2.263
262 HD2 TYR 30 HD2 TYR 30 -1.473 20.353 -2.068
263 HE1 TYR 30 HE1 TYR 30 -0.462 25.091 -2.928
264 HE2 TYR 30 HE2 TYR 30 -3.275 21.889 -2.734
265 HH TYR 30 HH TYR 30 -3.535 24.025 -3.907
266 HA PRO 31 HA PRO 31 5.470 19.703 -0.679
267 HB2 PRO 31 2HB PRO 31 6.993 21.937 -0.916
268 HB3 PRO 31 3HB PRO 31 6.162 21.191 -2.286
269 HG2 PRO 31 2HG PRO 31 5.349 23.553 -0.637
270 HG3 PRO 31 3HG PRO 31 5.275 23.338 -2.395
271 HD2 PRO 31 2HD PRO 31 3.106 23.049 -0.800
272 HD3 PRO 31 3HD PRO 31 3.328 22.109 -2.290
273 H TRP 32 H TRP 32 7.701 20.676 0.443
274 HA TRP 32 HA TRP 32 7.090 20.548 3.263
275 HB2 TRP 32 2HB TRP 32 9.352 20.083 3.600
276 HB3 TRP 32 3HB TRP 32 9.047 19.395 2.007
277 HD1 TRP 32 HD1 TRP 32 11.086 22.039 3.772
278 HE1 TRP 32 HE1 TRP 32 12.686 23.148 2.087
279 HE3 TRP 32 HE3 TRP 32 9.206 20.064 -0.553
280 HZ2 TRP 32 HZ2 TRP 32 13.096 23.181 -0.706
281 HZ3 TRP 32 HZ3 TRP 32 10.259 20.685 -2.688
282 HH2 TRP 32 HH2 TRP 32 12.163 22.212 -2.761
283 H GLU 33 H GLU 33 6.968 23.013 1.190
284 HA GLU 33 HA GLU 33 8.406 24.990 2.753
285 HB2 GLU 33 2HB GLU 33 6.545 25.509 0.437
286 HB3 GLU 33 3HB GLU 33 7.822 26.551 1.049
287 HG2 GLU 33 2HG GLU 33 9.511 25.051 0.249
288 HG3 GLU 33 3HG GLU 33 8.294 23.865 -0.218
289 H ILE 34 H ILE 34 6.564 23.799 4.353
290 HA ILE 34 HA ILE 34 4.218 25.541 4.437
291 HB ILE 34 HB ILE 34 4.895 23.142 6.143
292 HG12 ILE 34 2HG1 ILE 34 2.676 23.164 4.152
293 HG13 ILE 34 3HG1 ILE 34 4.320 22.991 3.548
294 HG21 ILE 34 1HG2 ILE 34 2.615 23.255 6.928
295 HG22 ILE 34 2HG2 ILE 34 3.421 24.791 7.240
296 HG23 ILE 34 3HG2 ILE 34 2.295 24.645 5.891
297 HD11 ILE 34 1HD1 ILE 34 4.616 20.946 4.568
298 HD12 ILE 34 2HD1 ILE 34 3.347 21.239 5.757
299 HD13 ILE 34 3HD1 ILE 34 2.922 20.887 4.083
300 HA PRO 35 HA PRO 35 6.079 28.140 7.494
301 HB2 PRO 35 2HB PRO 35 3.819 29.419 8.285
302 HB3 PRO 35 3HB PRO 35 4.633 29.766 6.755
303 HG2 PRO 35 2HG PRO 35 2.234 28.054 7.279
304 HG3 PRO 35 3HG PRO 35 2.513 29.219 5.972
305 HD2 PRO 35 2HD PRO 35 2.795 26.548 5.628
306 HD3 PRO 35 3HD PRO 35 3.783 27.734 4.749
307 H ARG 36 H ARG 36 5.149 28.949 9.820
308 HA ARG 36 HA ARG 36 4.780 26.463 11.330
309 HB2 ARG 36 2HB ARG 36 5.587 27.746 13.268
310 HB3 ARG 36 3HB ARG 36 6.734 27.785 11.936
311 HG2 ARG 36 2HG ARG 36 4.787 30.000 12.057
312 HG3 ARG 36 3HG ARG 36 6.017 29.952 13.322
313 HD2 ARG 36 2HD ARG 36 7.452 29.435 11.031
314 HD3 ARG 36 3HD ARG 36 6.259 30.616 10.494
315 HE ARG 36 HE ARG 36 7.356 32.212 11.707
316 HH11 ARG 36 1HH1 ARG 36 8.361 29.066 12.809
317 HH12 ARG 36 2HH1 ARG 36 9.601 29.683 13.849
318 HH21 ARG 36 1HH2 ARG 36 8.986 33.037 13.073
319 HH22 ARG 36 2HH2 ARG 36 9.956 31.942 13.999
320 H CYS 37 H CYS 37 3.661 27.056 13.593
321 HA CYS 37 HA CYS 37 0.991 27.969 12.853
322 HB2 CYS 37 2HB CYS 37 2.086 26.050 14.739
323 HB3 CYS 37 3HB CYS 37 0.923 27.122 15.510
324 HG CYS 37 HG CYS 37 0.001 24.498 14.380
Start of MODEL 19
1 H MET 1 H MET 1 7.584 -0.377 -0.892
2 HA MET 1 HA MET 1 4.757 -0.548 -0.359
3 HB2 MET 1 2HB MET 1 6.444 0.027 1.795
4 HB3 MET 1 3HB MET 1 5.803 1.587 1.296
5 HG2 MET 1 2HG MET 1 3.586 -0.046 1.284
6 HG3 MET 1 3HG MET 1 4.507 -0.607 2.678
7 HE1 MET 1 1HE MET 1 5.323 0.957 4.617
8 HE2 MET 1 2HE MET 1 4.048 1.965 5.302
9 HE3 MET 1 3HE MET 1 3.725 0.273 4.919
10 H LYS 2 H LYS 2 3.656 0.967 -1.472
11 HA LYS 2 HA LYS 2 3.248 2.640 -2.959
12 HB2 LYS 2 2HB LYS 2 5.225 3.821 -1.071
13 HB3 LYS 2 3HB LYS 2 4.873 4.711 -2.546
14 HG2 LYS 2 2HG LYS 2 3.342 5.617 -1.108
15 HG3 LYS 2 3HG LYS 2 2.388 4.325 -1.840
16 HD2 LYS 2 2HD LYS 2 2.032 3.454 0.173
17 HD3 LYS 2 3HD LYS 2 3.770 3.228 0.381
18 HE2 LYS 2 2HE LYS 2 2.809 5.976 0.793
19 HE3 LYS 2 3HE LYS 2 2.217 4.796 1.962
20 HZ1 LYS 2 1HZ LYS 2 4.302 4.405 2.765
21 HZ2 LYS 2 2HZ LYS 2 4.470 6.032 2.333
22 HZ3 LYS 2 3HZ LYS 2 5.078 4.822 1.320
23 H PHE 3 H PHE 3 4.238 0.958 -4.462
24 HA PHE 3 HA PHE 3 6.847 1.192 -5.447
25 HB2 PHE 3 2HB PHE 3 4.295 0.068 -6.539
26 HB3 PHE 3 3HB PHE 3 5.699 0.202 -7.593
27 HD1 PHE 3 HD1 PHE 3 5.205 -0.808 -4.032
28 HD2 PHE 3 HD2 PHE 3 6.730 -1.821 -7.875
29 HE1 PHE 3 HE1 PHE 3 6.081 -2.921 -3.124
30 HE2 PHE 3 HE2 PHE 3 7.608 -3.935 -6.973
31 HZ PHE 3 HZ PHE 3 7.283 -4.488 -4.595
32 H LYS 4 H LYS 4 7.390 1.876 -7.722
33 HA LYS 4 HA LYS 4 6.109 4.466 -8.301
34 HB2 LYS 4 2HB LYS 4 8.935 3.699 -9.024
35 HB3 LYS 4 3HB LYS 4 8.211 5.302 -9.055
36 HG2 LYS 4 2HG LYS 4 9.119 5.613 -7.055
37 HG3 LYS 4 3HG LYS 4 7.902 4.497 -6.431
38 HD2 LYS 4 2HD LYS 4 9.869 3.559 -5.652
39 HD3 LYS 4 3HD LYS 4 9.598 2.661 -7.148
40 HE2 LYS 4 2HE LYS 4 11.867 3.249 -7.205
41 HE3 LYS 4 3HE LYS 4 11.075 4.414 -8.267
42 HZ1 LYS 4 1HZ LYS 4 12.779 5.147 -6.412
43 HZ2 LYS 4 2HZ LYS 4 11.383 5.147 -5.456
44 HZ3 LYS 4 3HZ LYS 4 11.460 6.116 -6.841
45 H PHE 5 H PHE 5 7.203 1.428 -9.589
46 HA PHE 5 HA PHE 5 6.692 2.226 -12.336
47 HB2 PHE 5 2HB PHE 5 7.534 -0.429 -11.156
48 HB3 PHE 5 3HB PHE 5 7.377 -0.100 -12.878
49 HD1 PHE 5 HD1 PHE 5 8.644 2.309 -13.440
50 HD2 PHE 5 HD2 PHE 5 9.708 -0.546 -10.468
51 HE1 PHE 5 HE1 PHE 5 10.967 3.119 -13.498
52 HE2 PHE 5 HE2 PHE 5 12.032 0.260 -10.521
53 HZ PHE 5 HZ PHE 5 12.664 2.095 -12.037
54 H ASN 6 H ASN 6 5.207 0.343 -9.785
55 HA ASN 6 HA ASN 6 3.323 -1.113 -11.180
56 HB2 ASN 6 2HB ASN 6 3.570 -0.061 -8.441
57 HB3 ASN 6 3HB ASN 6 1.915 -0.378 -8.954
58 HD21 ASN 6 1HD2 ASN 6 1.636 -2.100 -7.581
59 HD22 ASN 6 2HD2 ASN 6 2.432 -3.617 -7.805
60 HA PRO 7 HA PRO 7 0.375 1.650 -12.886
61 HB2 PRO 7 2HB PRO 7 -1.973 0.371 -12.414
62 HB3 PRO 7 3HB PRO 7 -0.796 -0.191 -13.607
63 HG2 PRO 7 2HG PRO 7 -1.264 -1.151 -10.811
64 HG3 PRO 7 3HG PRO 7 -0.971 -2.094 -12.283
65 HD2 PRO 7 2HD PRO 7 0.969 -1.599 -10.460
66 HD3 PRO 7 3HD PRO 7 1.308 -1.759 -12.196
67 H THR 8 H THR 8 -0.274 0.569 -9.590
68 HA THR 8 HA THR 8 -2.275 2.393 -8.908
69 HB THR 8 HB THR 8 -1.464 0.405 -7.539
70 HG1 THR 8 HG1 THR 8 -2.013 1.516 -5.565
71 HG21 THR 8 1HG2 THR 8 0.928 1.063 -7.530
72 HG22 THR 8 2HG2 THR 8 0.282 0.799 -5.910
73 HG23 THR 8 3HG2 THR 8 0.515 2.440 -6.510
74 H GLY 9 H GLY 9 1.065 2.891 -9.493
75 HA2 GLY 9 2HA GLY 9 1.729 5.025 -7.871
76 HA3 GLY 9 3HA GLY 9 2.329 4.810 -9.509
77 H THR 10 H THR 10 -0.089 5.086 -10.909
78 HA THR 10 HA THR 10 -0.295 7.943 -10.956
79 HB THR 10 HB THR 10 -1.920 5.898 -12.482
80 HG1 THR 10 HG1 THR 10 0.247 5.689 -13.026
81 HG21 THR 10 1HG2 THR 10 -2.995 7.595 -13.457
82 HG22 THR 10 2HG2 THR 10 -1.484 8.447 -13.774
83 HG23 THR 10 3HG2 THR 10 -2.302 8.650 -12.226
84 H ILE 11 H ILE 11 -2.605 5.315 -10.284
85 HA ILE 11 HA ILE 11 -4.827 6.859 -9.686
86 HB ILE 11 HB ILE 11 -4.013 4.234 -8.433
87 HG12 ILE 11 2HG1 ILE 11 -6.057 3.759 -10.220
88 HG13 ILE 11 3HG1 ILE 11 -5.112 4.997 -11.040
89 HG21 ILE 11 1HG2 ILE 11 -5.699 5.341 -7.088
90 HG22 ILE 11 2HG2 ILE 11 -6.697 5.604 -8.516
91 HG23 ILE 11 3HG2 ILE 11 -6.406 3.965 -7.934
92 HD11 ILE 11 1HD1 ILE 11 -4.379 2.213 -10.321
93 HD12 ILE 11 2HD1 ILE 11 -4.095 3.112 -11.812
94 HD13 ILE 11 3HD1 ILE 11 -3.108 3.434 -10.386
95 H VAL 12 H VAL 12 -2.438 5.546 -7.384
96 HA VAL 12 HA VAL 12 -3.434 6.695 -5.069
97 HB VAL 12 HB VAL 12 -0.552 6.155 -5.793
98 HG11 VAL 12 1HG1 VAL 12 -0.159 6.137 -3.355
99 HG12 VAL 12 2HG1 VAL 12 -0.640 7.725 -3.957
100 HG13 VAL 12 3HG1 VAL 12 -1.808 6.711 -3.108
101 HG21 VAL 12 1HG2 VAL 12 -2.442 4.312 -5.673
102 HG22 VAL 12 2HG2 VAL 12 -0.826 4.017 -5.032
103 HG23 VAL 12 3HG2 VAL 12 -2.140 4.456 -3.941
104 H LYS 13 H LYS 13 -1.538 8.125 -7.630
105 HA LYS 13 HA LYS 13 -0.877 10.508 -6.176
106 HB2 LYS 13 2HB LYS 13 0.532 10.831 -7.879
107 HB3 LYS 13 3HB LYS 13 -0.041 9.316 -8.563
108 HG2 LYS 13 2HG LYS 13 -1.759 10.527 -9.810
109 HG3 LYS 13 3HG LYS 13 -1.180 12.048 -9.126
110 HD2 LYS 13 2HD LYS 13 0.798 10.310 -10.501
111 HD3 LYS 13 3HD LYS 13 -0.377 11.165 -11.502
112 HE2 LYS 13 2HE LYS 13 0.309 13.283 -10.561
113 HE3 LYS 13 3HE LYS 13 1.397 12.468 -9.439
114 HZ1 LYS 13 1HZ LYS 13 1.682 12.207 -12.373
115 HZ2 LYS 13 2HZ LYS 13 2.819 11.845 -11.175
116 HZ3 LYS 13 3HZ LYS 13 2.426 13.456 -11.507
117 H LYS 14 H LYS 14 -3.426 9.500 -8.361
118 HA LYS 14 HA LYS 14 -4.519 12.135 -8.686
119 HB2 LYS 14 2HB LYS 14 -5.643 9.400 -9.309
120 HB3 LYS 14 3HB LYS 14 -6.441 10.912 -9.722
121 HG2 LYS 14 2HG LYS 14 -3.788 9.931 -10.752
122 HG3 LYS 14 3HG LYS 14 -5.301 10.059 -11.653
123 HD2 LYS 14 2HD LYS 14 -5.261 12.508 -11.286
124 HD3 LYS 14 3HD LYS 14 -3.693 12.335 -10.494
125 HE2 LYS 14 2HE LYS 14 -3.020 12.854 -12.618
126 HE3 LYS 14 3HE LYS 14 -3.074 11.096 -12.731
127 HZ1 LYS 14 1HZ LYS 14 -4.493 11.320 -14.395
128 HZ2 LYS 14 2HZ LYS 14 -4.533 13.000 -14.208
129 HZ3 LYS 14 3HZ LYS 14 -5.616 12.028 -13.346
130 H LEU 15 H LEU 15 -5.476 9.231 -6.869
131 HA LEU 15 HA LEU 15 -7.782 10.245 -5.688
132 HB2 LEU 15 2HB LEU 15 -5.822 8.125 -4.945
133 HB3 LEU 15 3HB LEU 15 -7.058 8.595 -3.780
134 HG LEU 15 HG LEU 15 -7.517 6.566 -5.269
135 HD11 LEU 15 1HD1 LEU 15 -9.256 8.775 -4.477
136 HD12 LEU 15 2HD1 LEU 15 -9.445 7.037 -4.243
137 HD13 LEU 15 3HD1 LEU 15 -9.913 7.776 -5.774
138 HD21 LEU 15 1HD2 LEU 15 -6.771 7.585 -7.371
139 HD22 LEU 15 2HD2 LEU 15 -8.083 8.759 -7.263
140 HD23 LEU 15 3HD2 LEU 15 -8.447 7.044 -7.463
141 H THR 16 H THR 16 -4.418 10.696 -4.853
142 HA THR 16 HA THR 16 -4.907 11.842 -2.278
143 HB THR 16 HB THR 16 -2.457 12.006 -4.045
144 HG1 THR 16 HG1 THR 16 -3.189 9.888 -3.179
145 HG21 THR 16 1HG2 THR 16 -3.124 13.243 -1.482
146 HG22 THR 16 2HG2 THR 16 -1.817 13.608 -2.609
147 HG23 THR 16 3HG2 THR 16 -1.635 12.300 -1.440
148 H GLN 17 H GLN 17 -4.727 13.053 -5.540
149 HA GLN 17 HA GLN 17 -4.218 15.745 -5.101
150 HB2 GLN 17 2HB GLN 17 -4.668 14.307 -7.300
151 HB3 GLN 17 3HB GLN 17 -6.265 15.024 -7.138
152 HG2 GLN 17 2HG GLN 17 -5.541 17.101 -7.657
153 HG3 GLN 17 3HG GLN 17 -3.960 16.856 -6.916
154 HE21 GLN 17 1HE2 GLN 17 -5.793 15.291 -9.525
155 HE22 GLN 17 2HE2 GLN 17 -4.526 15.374 -10.696
156 H TYR 18 H TYR 18 -7.060 13.886 -4.430
157 HA TYR 18 HA TYR 18 -8.667 16.287 -3.985
158 HB2 TYR 18 2HB TYR 18 -9.410 13.358 -3.835
159 HB3 TYR 18 3HB TYR 18 -10.529 14.698 -3.612
160 HD1 TYR 18 HD1 TYR 18 -8.194 13.202 -6.095
161 HD2 TYR 18 HD2 TYR 18 -11.630 15.627 -5.450
162 HE1 TYR 18 HE1 TYR 18 -8.607 13.251 -8.519
163 HE2 TYR 18 HE2 TYR 18 -12.053 15.682 -7.872
164 HH TYR 18 HH TYR 18 -11.441 14.097 -9.884
165 H GLU 19 H GLU 19 -6.975 13.787 -2.263
166 HA GLU 19 HA GLU 19 -8.227 14.223 0.266
167 HB2 GLU 19 2HB GLU 19 -5.576 12.936 -0.411
168 HB3 GLU 19 3HB GLU 19 -6.354 12.880 1.165
169 HG2 GLU 19 2HG GLU 19 -7.654 11.828 -1.329
170 HG3 GLU 19 3HG GLU 19 -6.621 10.843 -0.294
171 H ILE 20 H ILE 20 -5.349 15.463 -1.337
172 HA ILE 20 HA ILE 20 -4.076 16.713 0.779
173 HB ILE 20 HB ILE 20 -4.303 17.734 -2.055
174 HG12 ILE 20 2HG1 ILE 20 -1.863 16.354 -1.116
175 HG13 ILE 20 3HG1 ILE 20 -3.288 15.336 -1.292
176 HG21 ILE 20 1HG2 ILE 20 -3.041 18.829 0.272
177 HG22 ILE 20 2HG2 ILE 20 -1.820 18.394 -0.922
178 HG23 ILE 20 3HG2 ILE 20 -3.132 19.487 -1.361
179 HD11 ILE 20 1HD1 ILE 20 -2.766 15.162 -3.435
180 HD12 ILE 20 2HD1 ILE 20 -3.221 16.857 -3.612
181 HD13 ILE 20 3HD1 ILE 20 -1.540 16.422 -3.304
182 H ALA 21 H ALA 21 -6.922 17.698 -1.003
183 HA ALA 21 HA ALA 21 -7.115 20.373 -0.364
184 HB1 ALA 21 1HB ALA 21 -8.724 19.548 -1.839
185 HB2 ALA 21 2HB ALA 21 -9.208 18.258 -0.737
186 HB3 ALA 21 3HB ALA 21 -9.640 19.930 -0.381
187 H TRP 22 H TRP 22 -8.135 17.585 1.582
188 HA TRP 22 HA TRP 22 -9.356 18.892 3.684
189 HB2 TRP 22 2HB TRP 22 -9.412 16.492 3.553
190 HB3 TRP 22 3HB TRP 22 -7.660 16.391 3.697
191 HD1 TRP 22 HD1 TRP 22 -6.609 16.913 6.153
192 HE1 TRP 22 HE1 TRP 22 -7.637 16.660 8.499
193 HE3 TRP 22 HE3 TRP 22 -11.547 16.660 4.853
194 HZ2 TRP 22 HZ2 TRP 22 -10.201 16.388 9.647
195 HZ3 TRP 22 HZ3 TRP 22 -13.224 16.402 6.635
196 HH2 TRP 22 HH2 TRP 22 -12.563 16.269 8.982
197 H PHE 23 H PHE 23 -5.906 18.224 3.219
198 HA PHE 23 HA PHE 23 -5.142 19.456 5.693
199 HB2 PHE 23 2HB PHE 23 -3.638 17.812 4.982
200 HB3 PHE 23 3HB PHE 23 -3.650 18.385 3.318
201 HD1 PHE 23 HD1 PHE 23 -2.085 19.968 2.565
202 HD2 PHE 23 HD2 PHE 23 -2.453 19.157 6.728
203 HE1 PHE 23 HE1 PHE 23 -0.034 21.257 2.994
204 HE2 PHE 23 HE2 PHE 23 -0.402 20.445 7.163
205 HZ PHE 23 HZ PHE 23 0.810 21.498 5.295
206 H LYS 24 H LYS 24 -5.543 20.490 2.393
207 HA LYS 24 HA LYS 24 -4.029 22.852 2.457
208 HB2 LYS 24 2HB LYS 24 -4.888 21.877 0.379
209 HB3 LYS 24 3HB LYS 24 -6.535 22.233 0.882
210 HG2 LYS 24 2HG LYS 24 -6.184 24.018 -0.466
211 HG3 LYS 24 3HG LYS 24 -5.554 24.692 1.039
212 HD2 LYS 24 2HD LYS 24 -3.284 23.806 0.295
213 HD3 LYS 24 3HD LYS 24 -4.022 23.561 -1.290
214 HE2 LYS 24 2HE LYS 24 -4.050 26.201 0.158
215 HE3 LYS 24 3HE LYS 24 -2.783 25.736 -0.976
216 HZ1 LYS 24 1HZ LYS 24 -4.190 25.876 -2.750
217 HZ2 LYS 24 2HZ LYS 24 -4.859 27.079 -1.768
218 HZ3 LYS 24 3HZ LYS 24 -5.579 25.550 -1.841
219 H ASN 25 H ASN 25 -7.197 22.085 3.687
220 HA ASN 25 HA ASN 25 -7.974 24.826 4.095
221 HB2 ASN 25 2HB ASN 25 -9.150 22.209 5.047
222 HB3 ASN 25 3HB ASN 25 -9.857 23.780 5.410
223 HD21 ASN 25 1HD2 ASN 25 -10.181 21.226 3.484
224 HD22 ASN 25 2HD2 ASN 25 -10.858 21.967 2.078
225 H LYS 26 H LYS 26 -5.918 22.693 5.677
226 HA LYS 26 HA LYS 26 -6.343 23.854 8.321
227 HB2 LYS 26 2HB LYS 26 -4.248 21.824 7.566
228 HB3 LYS 26 3HB LYS 26 -4.906 22.161 9.162
229 HG2 LYS 26 2HG LYS 26 -6.474 20.973 6.884
230 HG3 LYS 26 3HG LYS 26 -5.721 20.046 8.184
231 HD2 LYS 26 2HD LYS 26 -7.260 22.126 9.359
232 HD3 LYS 26 3HD LYS 26 -8.263 21.318 8.152
233 HE2 LYS 26 2HE LYS 26 -6.691 19.518 9.857
234 HE3 LYS 26 3HE LYS 26 -7.913 20.461 10.710
235 HZ1 LYS 26 1HZ LYS 26 -9.578 19.344 9.732
236 HZ2 LYS 26 2HZ LYS 26 -8.409 18.149 9.478
237 HZ3 LYS 26 3HZ LYS 26 -8.794 19.232 8.237
238 H HIS 27 H HIS 27 -4.092 23.931 5.654
239 HA HIS 27 HA HIS 27 -2.696 26.151 6.956
240 HB2 HIS 27 2HB HIS 27 -1.256 23.872 5.584
241 HB3 HIS 27 3HB HIS 27 -0.510 25.289 6.317
242 HD1 HIS 27 HD1 HIS 27 -2.355 22.135 7.253
243 HD2 HIS 27 HD2 HIS 27 -0.058 25.108 9.026
244 HE1 HIS 27 HE1 HIS 27 -1.906 21.332 9.594
245 H GLY 28 H GLY 28 -3.090 24.262 3.970
246 HA2 GLY 28 2HA GLY 28 -3.815 25.244 1.926
247 HA3 GLY 28 3HA GLY 28 -3.200 26.792 2.485
248 H TYR 29 H TYR 29 -1.310 23.882 2.783
249 HA TYR 29 HA TYR 29 0.382 24.783 0.546
250 HB2 TYR 29 2HB TYR 29 1.180 23.935 3.320
251 HB3 TYR 29 3HB TYR 29 2.306 23.815 1.973
252 HD1 TYR 29 HD1 TYR 29 3.673 25.622 1.502
253 HD2 TYR 29 HD2 TYR 29 0.040 26.289 3.614
254 HE1 TYR 29 HE1 TYR 29 4.286 27.985 1.798
255 HE2 TYR 29 HE2 TYR 29 0.643 28.654 3.916
256 HH TYR 29 HH TYR 29 2.619 30.062 3.935
257 H TYR 30 H TYR 30 2.192 22.817 0.390
258 HA TYR 30 HA TYR 30 0.822 20.247 0.411
259 HB2 TYR 30 2HB TYR 30 2.134 21.088 -2.151
260 HB3 TYR 30 3HB TYR 30 0.929 19.834 -1.880
261 HD1 TYR 30 HD1 TYR 30 1.442 23.485 -2.141
262 HD2 TYR 30 HD2 TYR 30 -1.396 20.317 -2.003
263 HE1 TYR 30 HE1 TYR 30 -0.329 25.049 -2.824
264 HE2 TYR 30 HE2 TYR 30 -3.174 21.873 -2.687
265 HH TYR 30 HH TYR 30 -2.606 24.851 -4.004
266 HA PRO 31 HA PRO 31 5.520 19.595 -0.517
267 HB2 PRO 31 2HB PRO 31 7.067 21.817 -0.722
268 HB3 PRO 31 3HB PRO 31 6.249 21.085 -2.108
269 HG2 PRO 31 2HG PRO 31 5.434 23.446 -0.458
270 HG3 PRO 31 3HG PRO 31 5.383 23.240 -2.219
271 HD2 PRO 31 2HD PRO 31 3.189 22.964 -0.656
272 HD3 PRO 31 3HD PRO 31 3.424 22.029 -2.147
273 H TRP 32 H TRP 32 7.744 20.543 0.641
274 HA TRP 32 HA TRP 32 7.091 20.407 3.451
275 HB2 TRP 32 2HB TRP 32 9.344 19.919 3.818
276 HB3 TRP 32 3HB TRP 32 9.055 19.242 2.218
277 HD1 TRP 32 HD1 TRP 32 11.094 21.858 4.024
278 HE1 TRP 32 HE1 TRP 32 12.728 22.959 2.367
279 HE3 TRP 32 HE3 TRP 32 9.257 19.920 -0.336
280 HZ2 TRP 32 HZ2 TRP 32 13.177 23.001 -0.419
281 HZ3 TRP 32 HZ3 TRP 32 10.345 20.541 -2.453
282 HH2 TRP 32 HH2 TRP 32 12.265 22.050 -2.492
283 H GLU 33 H GLU 33 7.022 22.883 1.389
284 HA GLU 33 HA GLU 33 8.456 24.839 2.981
285 HB2 GLU 33 2HB GLU 33 6.633 25.386 0.642
286 HB3 GLU 33 3HB GLU 33 7.911 26.414 1.276
287 HG2 GLU 33 2HG GLU 33 9.597 24.901 0.493
288 HG3 GLU 33 3HG GLU 33 8.376 23.729 0.003
289 H ILE 34 H ILE 34 6.581 23.658 4.549
290 HA ILE 34 HA ILE 34 4.250 25.421 4.609
291 HB ILE 34 HB ILE 34 4.881 23.008 6.313
292 HG12 ILE 34 2HG1 ILE 34 2.691 23.061 4.291
293 HG13 ILE 34 3HG1 ILE 34 4.342 22.874 3.710
294 HG21 ILE 34 1HG2 ILE 34 2.592 23.139 7.067
295 HG22 ILE 34 2HG2 ILE 34 3.408 24.667 7.397
296 HG23 ILE 34 3HG2 ILE 34 2.298 24.537 6.032
297 HD11 ILE 34 1HD1 ILE 34 3.425 21.124 5.924
298 HD12 ILE 34 2HD1 ILE 34 2.842 20.800 4.291
299 HD13 ILE 34 3HD1 ILE 34 4.574 20.803 4.625
300 HA PRO 35 HA PRO 35 6.092 27.990 7.703
301 HB2 PRO 35 2HB PRO 35 3.833 29.286 8.469
302 HB3 PRO 35 3HB PRO 35 4.672 29.632 6.952
303 HG2 PRO 35 2HG PRO 35 2.250 27.940 7.434
304 HG3 PRO 35 3HG PRO 35 2.558 29.109 6.136
305 HD2 PRO 35 2HD PRO 35 2.821 26.437 5.784
306 HD3 PRO 35 3HD PRO 35 3.831 27.617 4.925
307 H ARG 36 H ARG 36 5.127 28.799 10.019
308 HA ARG 36 HA ARG 36 5.128 26.426 11.626
309 HB2 ARG 36 2HB ARG 36 4.697 29.289 12.494
310 HB3 ARG 36 3HB ARG 36 5.147 27.936 13.524
311 HG2 ARG 36 2HG ARG 36 7.238 28.646 13.237
312 HG3 ARG 36 3HG ARG 36 7.126 27.910 11.637
313 HD2 ARG 36 2HD ARG 36 6.866 29.920 10.580
314 HD3 ARG 36 3HD ARG 36 6.101 30.677 11.977
315 HE ARG 36 HE ARG 36 8.657 30.258 12.789
316 HH11 ARG 36 1HH1 ARG 36 7.216 31.830 10.038
317 HH12 ARG 36 2HH1 ARG 36 8.502 32.977 9.855
318 HH21 ARG 36 1HH2 ARG 36 10.356 31.763 12.560
319 HH22 ARG 36 2HH2 ARG 36 10.288 32.937 11.290
320 H CYS 37 H CYS 37 3.508 26.767 13.697
321 HA CYS 37 HA CYS 37 1.030 25.855 12.842
322 HB2 CYS 37 2HB CYS 37 1.799 27.172 15.453
323 HB3 CYS 37 3HB CYS 37 0.266 26.355 15.177
324 HG CYS 37 HG CYS 37 1.312 24.282 16.335
Start of MODEL 20
1 H MET 1 H MET 1 5.579 -2.832 -1.350
2 HA MET 1 HA MET 1 3.850 -1.396 -1.718
3 HB2 MET 1 2HB MET 1 4.400 -0.843 1.178
4 HB3 MET 1 3HB MET 1 3.264 0.165 0.291
5 HG2 MET 1 2HG MET 1 2.590 -2.504 -0.283
6 HG3 MET 1 3HG MET 1 2.870 -2.409 1.455
7 HE1 MET 1 1HE MET 1 -0.428 -2.871 1.452
8 HE2 MET 1 2HE MET 1 1.039 -2.812 2.429
9 HE3 MET 1 3HE MET 1 -0.263 -1.657 2.721
10 H LYS 2 H LYS 2 3.358 1.022 -1.839
11 HA LYS 2 HA LYS 2 3.954 3.052 -2.677
12 HB2 LYS 2 2HB LYS 2 5.888 2.574 -0.464
13 HB3 LYS 2 3HB LYS 2 6.208 3.922 -1.548
14 HG2 LYS 2 2HG LYS 2 4.978 4.965 0.065
15 HG3 LYS 2 3HG LYS 2 3.698 4.503 -1.060
16 HD2 LYS 2 2HD LYS 2 2.740 3.660 0.804
17 HD3 LYS 2 3HD LYS 2 3.804 2.290 0.476
18 HE2 LYS 2 2HE LYS 2 5.492 3.281 1.975
19 HE3 LYS 2 3HE LYS 2 4.377 4.598 2.333
20 HZ1 LYS 2 1HZ LYS 2 3.185 2.030 2.728
21 HZ2 LYS 2 2HZ LYS 2 3.288 3.343 3.789
22 HZ3 LYS 2 3HZ LYS 2 4.564 2.238 3.686
23 H PHE 3 H PHE 3 4.368 1.721 -4.676
24 HA PHE 3 HA PHE 3 7.201 1.585 -5.400
25 HB2 PHE 3 2HB PHE 3 4.702 0.341 -6.483
26 HB3 PHE 3 3HB PHE 3 6.104 0.511 -7.535
27 HD1 PHE 3 HD1 PHE 3 7.199 -1.483 -7.780
28 HD2 PHE 3 HD2 PHE 3 5.653 -0.442 -3.953
29 HE1 PHE 3 HE1 PHE 3 8.157 -3.544 -6.836
30 HE2 PHE 3 HE2 PHE 3 6.609 -2.500 -3.003
31 HZ PHE 3 HZ PHE 3 7.863 -4.054 -4.444
32 H LYS 4 H LYS 4 7.694 2.207 -7.728
33 HA LYS 4 HA LYS 4 6.357 4.762 -8.337
34 HB2 LYS 4 2HB LYS 4 9.190 4.014 -9.063
35 HB3 LYS 4 3HB LYS 4 8.440 5.600 -9.177
36 HG2 LYS 4 2HG LYS 4 9.407 6.010 -7.216
37 HG3 LYS 4 3HG LYS 4 8.138 4.997 -6.524
38 HD2 LYS 4 2HD LYS 4 9.845 3.793 -5.697
39 HD3 LYS 4 3HD LYS 4 9.951 3.129 -7.329
40 HE2 LYS 4 2HE LYS 4 12.139 3.847 -6.560
41 HE3 LYS 4 3HE LYS 4 11.603 4.847 -7.909
42 HZ1 LYS 4 1HZ LYS 4 12.275 5.622 -5.261
43 HZ2 LYS 4 2HZ LYS 4 10.706 6.123 -5.643
44 HZ3 LYS 4 3HZ LYS 4 12.005 6.589 -6.622
45 H PHE 5 H PHE 5 7.498 1.721 -9.585
46 HA PHE 5 HA PHE 5 6.906 2.451 -12.335
47 HB2 PHE 5 2HB PHE 5 7.809 -0.188 -11.161
48 HB3 PHE 5 3HB PHE 5 7.686 0.182 -12.878
49 HD1 PHE 5 HD1 PHE 5 9.081 2.208 -13.709
50 HD2 PHE 5 HD2 PHE 5 9.812 0.132 -10.066
51 HE1 PHE 5 HE1 PHE 5 11.391 3.057 -13.692
52 HE2 PHE 5 HE2 PHE 5 12.122 0.978 -10.043
53 HZ PHE 5 HZ PHE 5 12.914 2.443 -11.857
54 H ASN 6 H ASN 6 5.533 0.580 -9.714
55 HA ASN 6 HA ASN 6 3.663 -0.958 -11.041
56 HB2 ASN 6 2HB ASN 6 3.939 0.150 -8.326
57 HB3 ASN 6 3HB ASN 6 2.286 -0.235 -8.796
58 HD21 ASN 6 1HD2 ASN 6 2.577 -1.779 -6.997
59 HD22 ASN 6 2HD2 ASN 6 3.237 -3.333 -7.365
60 HA PRO 7 HA PRO 7 0.594 1.690 -12.718
61 HB2 PRO 7 2HB PRO 7 -1.703 0.350 -12.169
62 HB3 PRO 7 3HB PRO 7 -0.538 -0.196 -13.382
63 HG2 PRO 7 2HG PRO 7 -0.911 -1.124 -10.560
64 HG3 PRO 7 3HG PRO 7 -0.625 -2.083 -12.025
65 HD2 PRO 7 2HD PRO 7 1.342 -1.501 -10.258
66 HD3 PRO 7 3HD PRO 7 1.644 -1.679 -11.998
67 H THR 8 H THR 8 0.058 0.644 -9.391
68 HA THR 8 HA THR 8 -1.981 2.418 -8.688
69 HB THR 8 HB THR 8 -1.076 0.478 -7.309
70 HG1 THR 8 HG1 THR 8 -2.613 1.960 -6.473
71 HG21 THR 8 1HG2 THR 8 0.864 2.589 -6.361
72 HG22 THR 8 2HG2 THR 8 1.293 1.206 -7.368
73 HG23 THR 8 3HG2 THR 8 0.694 0.952 -5.729
74 H GLY 9 H GLY 9 1.328 3.006 -9.363
75 HA2 GLY 9 2HA GLY 9 1.966 5.186 -7.792
76 HA3 GLY 9 3HA GLY 9 2.532 4.961 -9.440
77 H THR 10 H THR 10 0.074 5.141 -10.785
78 HA THR 10 HA THR 10 -0.219 7.990 -10.873
79 HB THR 10 HB THR 10 -1.820 5.873 -12.325
80 HG1 THR 10 HG1 THR 10 -0.332 6.196 -13.989
81 HG21 THR 10 1HG2 THR 10 -2.963 7.522 -13.306
82 HG22 THR 10 2HG2 THR 10 -1.485 8.414 -13.665
83 HG23 THR 10 3HG2 THR 10 -2.278 8.615 -12.104
84 H ILE 11 H ILE 11 -2.431 5.306 -10.102
85 HA ILE 11 HA ILE 11 -4.684 6.793 -9.474
86 HB ILE 11 HB ILE 11 -3.761 4.215 -8.199
87 HG12 ILE 11 2HG1 ILE 11 -5.833 3.650 -9.928
88 HG13 ILE 11 3HG1 ILE 11 -4.945 4.901 -10.791
89 HG21 ILE 11 1HG2 ILE 11 -6.131 3.882 -7.636
90 HG22 ILE 11 2HG2 ILE 11 -5.447 5.293 -6.831
91 HG23 ILE 11 3HG2 ILE 11 -6.488 5.501 -8.239
92 HD11 ILE 11 1HD1 ILE 11 -4.111 2.152 -10.041
93 HD12 ILE 11 2HD1 ILE 11 -3.894 3.031 -11.555
94 HD13 ILE 11 3HD1 ILE 11 -2.881 3.410 -10.163
95 H VAL 12 H VAL 12 -2.202 5.591 -7.210
96 HA VAL 12 HA VAL 12 -3.176 6.749 -4.891
97 HB VAL 12 HB VAL 12 -0.297 6.281 -5.677
98 HG11 VAL 12 1HG1 VAL 12 0.155 6.317 -3.249
99 HG12 VAL 12 2HG1 VAL 12 -0.387 7.879 -3.865
100 HG13 VAL 12 3HG1 VAL 12 -1.504 6.847 -2.971
101 HG21 VAL 12 1HG2 VAL 12 -2.172 4.400 -5.439
102 HG22 VAL 12 2HG2 VAL 12 -0.502 4.144 -4.932
103 HG23 VAL 12 3HG2 VAL 12 -1.732 4.560 -3.739
104 H LYS 13 H LYS 13 -1.387 8.191 -7.520
105 HA LYS 13 HA LYS 13 -0.762 10.617 -6.121
106 HB2 LYS 13 2HB LYS 13 0.594 10.953 -7.864
107 HB3 LYS 13 3HB LYS 13 0.050 9.410 -8.509
108 HG2 LYS 13 2HG LYS 13 -1.733 10.548 -9.732
109 HG3 LYS 13 3HG LYS 13 -1.182 12.097 -9.087
110 HD2 LYS 13 2HD LYS 13 1.104 10.954 -10.169
111 HD3 LYS 13 3HD LYS 13 -0.169 10.551 -11.323
112 HE2 LYS 13 2HE LYS 13 0.808 12.653 -11.953
113 HE3 LYS 13 3HE LYS 13 -0.824 12.945 -11.354
114 HZ1 LYS 13 1HZ LYS 13 0.905 13.116 -9.180
115 HZ2 LYS 13 2HZ LYS 13 0.026 14.365 -9.907
116 HZ3 LYS 13 3HZ LYS 13 1.600 14.025 -10.427
117 H LYS 14 H LYS 14 -3.332 9.497 -8.227
118 HA LYS 14 HA LYS 14 -4.511 12.092 -8.567
119 HB2 LYS 14 2HB LYS 14 -5.567 9.315 -9.118
120 HB3 LYS 14 3HB LYS 14 -6.420 10.795 -9.535
121 HG2 LYS 14 2HG LYS 14 -3.765 9.876 -10.614
122 HG3 LYS 14 3HG LYS 14 -5.302 9.944 -11.480
123 HD2 LYS 14 2HD LYS 14 -5.328 12.399 -11.154
124 HD3 LYS 14 3HD LYS 14 -3.737 12.287 -10.398
125 HE2 LYS 14 2HE LYS 14 -3.481 12.931 -12.707
126 HE3 LYS 14 3HE LYS 14 -2.858 11.297 -12.485
127 HZ1 LYS 14 1HZ LYS 14 -4.251 11.615 -14.503
128 HZ2 LYS 14 2HZ LYS 14 -5.583 11.887 -13.497
129 HZ3 LYS 14 3HZ LYS 14 -4.799 10.388 -13.475
130 H LEU 15 H LEU 15 -5.336 9.192 -6.680
131 HA LEU 15 HA LEU 15 -7.643 10.155 -5.460
132 HB2 LEU 15 2HB LEU 15 -5.600 8.110 -4.729
133 HB3 LEU 15 3HB LEU 15 -6.821 8.563 -3.542
134 HG LEU 15 HG LEU 15 -7.251 6.494 -4.986
135 HD11 LEU 15 1HD1 LEU 15 -9.421 6.723 -4.475
136 HD12 LEU 15 2HD1 LEU 15 -9.574 8.246 -5.350
137 HD13 LEU 15 3HD1 LEU 15 -8.907 8.231 -3.718
138 HD21 LEU 15 1HD2 LEU 15 -8.253 6.906 -7.161
139 HD22 LEU 15 2HD2 LEU 15 -6.593 7.501 -7.123
140 HD23 LEU 15 3HD2 LEU 15 -7.940 8.634 -6.998
141 H THR 16 H THR 16 -4.275 10.726 -4.715
142 HA THR 16 HA THR 16 -4.734 11.899 -2.149
143 HB THR 16 HB THR 16 -2.340 12.117 -3.984
144 HG1 THR 16 HG1 THR 16 -2.861 10.459 -1.721
145 HG21 THR 16 1HG2 THR 16 -1.498 12.471 -1.371
146 HG22 THR 16 2HG2 THR 16 -2.987 13.413 -1.461
147 HG23 THR 16 3HG2 THR 16 -1.670 13.734 -2.589
148 H GLN 17 H GLN 17 -4.683 13.062 -5.432
149 HA GLN 17 HA GLN 17 -4.257 15.777 -5.047
150 HB2 GLN 17 2HB GLN 17 -4.609 14.380 -7.227
151 HB3 GLN 17 3HB GLN 17 -6.300 14.817 -7.020
152 HG2 GLN 17 2HG GLN 17 -4.709 17.158 -6.718
153 HG3 GLN 17 3HG GLN 17 -4.228 16.325 -8.195
154 HE21 GLN 17 1HE2 GLN 17 -5.323 16.855 -9.934
155 HE22 GLN 17 2HE2 GLN 17 -6.935 17.475 -9.979
156 H TYR 18 H TYR 18 -7.013 13.833 -4.272
157 HA TYR 18 HA TYR 18 -8.690 16.184 -3.820
158 HB2 TYR 18 2HB TYR 18 -9.327 13.234 -3.609
159 HB3 TYR 18 3HB TYR 18 -10.485 14.538 -3.374
160 HD1 TYR 18 HD1 TYR 18 -8.165 13.089 -5.899
161 HD2 TYR 18 HD2 TYR 18 -11.668 15.400 -5.194
162 HE1 TYR 18 HE1 TYR 18 -8.644 13.089 -8.312
163 HE2 TYR 18 HE2 TYR 18 -12.157 15.405 -7.604
164 HH TYR 18 HH TYR 18 -9.876 14.277 -9.944
165 H GLU 19 H GLU 19 -6.869 13.769 -2.108
166 HA GLU 19 HA GLU 19 -8.069 14.201 0.447
167 HB2 GLU 19 2HB GLU 19 -5.393 12.995 -0.280
168 HB3 GLU 19 3HB GLU 19 -6.129 12.936 1.315
169 HG2 GLU 19 2HG GLU 19 -7.456 11.804 -1.128
170 HG3 GLU 19 3HG GLU 19 -6.362 10.870 -0.110
171 H ILE 20 H ILE 20 -5.276 15.513 -1.248
172 HA ILE 20 HA ILE 20 -3.994 16.837 0.815
173 HB ILE 20 HB ILE 20 -4.327 17.806 -2.027
174 HG12 ILE 20 2HG1 ILE 20 -1.819 16.523 -1.130
175 HG13 ILE 20 3HG1 ILE 20 -3.213 15.456 -1.256
176 HG21 ILE 20 1HG2 ILE 20 -3.202 19.609 -1.388
177 HG22 ILE 20 2HG2 ILE 20 -3.045 18.979 0.251
178 HG23 ILE 20 3HG2 ILE 20 -1.841 18.569 -0.970
179 HD11 ILE 20 1HD1 ILE 20 -3.259 16.939 -3.598
180 HD12 ILE 20 2HD1 ILE 20 -1.554 16.573 -3.327
181 HD13 ILE 20 3HD1 ILE 20 -2.735 15.266 -3.407
182 H ALA 21 H ALA 21 -6.917 17.698 -0.906
183 HA ALA 21 HA ALA 21 -7.184 20.374 -0.303
184 HB1 ALA 21 1HB ALA 21 -8.757 19.287 -1.744
185 HB2 ALA 21 2HB ALA 21 -9.309 18.242 -0.434
186 HB3 ALA 21 3HB ALA 21 -9.640 19.974 -0.380
187 H TRP 22 H TRP 22 -8.059 17.585 1.711
188 HA TRP 22 HA TRP 22 -9.270 18.883 3.824
189 HB2 TRP 22 2HB TRP 22 -9.228 16.470 3.703
190 HB3 TRP 22 3HB TRP 22 -7.474 16.451 3.860
191 HD1 TRP 22 HD1 TRP 22 -6.471 17.106 6.315
192 HE1 TRP 22 HE1 TRP 22 -7.500 16.830 8.658
193 HE3 TRP 22 HE3 TRP 22 -11.370 16.502 4.983
194 HZ2 TRP 22 HZ2 TRP 22 -10.051 16.411 9.792
195 HZ3 TRP 22 HZ3 TRP 22 -13.041 16.169 6.757
196 HH2 TRP 22 HH2 TRP 22 -12.394 16.124 9.111
197 H PHE 23 H PHE 23 -5.811 18.325 3.279
198 HA PHE 23 HA PHE 23 -5.027 19.619 5.714
199 HB2 PHE 23 2HB PHE 23 -3.486 18.016 4.988
200 HB3 PHE 23 3HB PHE 23 -3.560 18.563 3.316
201 HD1 PHE 23 HD1 PHE 23 -2.303 19.426 6.682
202 HD2 PHE 23 HD2 PHE 23 -2.071 20.187 2.500
203 HE1 PHE 23 HE1 PHE 23 -0.287 20.789 7.045
204 HE2 PHE 23 HE2 PHE 23 -0.055 21.551 2.857
205 HZ PHE 23 HZ PHE 23 0.840 21.853 5.131
206 H LYS 24 H LYS 24 -5.547 20.587 2.410
207 HA LYS 24 HA LYS 24 -4.113 23.000 2.400
208 HB2 LYS 24 2HB LYS 24 -4.992 21.965 0.360
209 HB3 LYS 24 3HB LYS 24 -6.637 22.273 0.901
210 HG2 LYS 24 2HG LYS 24 -6.382 24.047 -0.482
211 HG3 LYS 24 3HG LYS 24 -5.737 24.766 0.996
212 HD2 LYS 24 2HD LYS 24 -3.457 23.945 0.206
213 HD3 LYS 24 3HD LYS 24 -4.227 23.651 -1.355
214 HE2 LYS 24 2HE LYS 24 -4.309 26.310 0.055
215 HE3 LYS 24 3HE LYS 24 -3.056 25.872 -1.105
216 HZ1 LYS 24 1HZ LYS 24 -4.449 26.698 -2.615
217 HZ2 LYS 24 2HZ LYS 24 -5.776 26.673 -1.566
218 HZ3 LYS 24 3HZ LYS 24 -5.345 25.277 -2.419
219 H ASN 25 H ASN 25 -7.221 22.147 3.724
220 HA ASN 25 HA ASN 25 -8.079 24.866 4.113
221 HB2 ASN 25 2HB ASN 25 -9.139 22.215 5.099
222 HB3 ASN 25 3HB ASN 25 -9.878 23.758 5.518
223 HD21 ASN 25 1HD2 ASN 25 -10.068 21.220 3.481
224 HD22 ASN 25 2HD2 ASN 25 -10.878 21.964 2.149
225 H LYS 26 H LYS 26 -5.912 22.827 5.671
226 HA LYS 26 HA LYS 26 -6.308 24.014 8.308
227 HB2 LYS 26 2HB LYS 26 -4.165 22.044 7.527
228 HB3 LYS 26 3HB LYS 26 -4.792 22.383 9.135
229 HG2 LYS 26 2HG LYS 26 -6.377 21.108 6.916
230 HG3 LYS 26 3HG LYS 26 -5.560 20.228 8.210
231 HD2 LYS 26 2HD LYS 26 -6.942 21.307 9.871
232 HD3 LYS 26 3HD LYS 26 -7.690 22.322 8.636
233 HE2 LYS 26 2HE LYS 26 -8.180 19.884 7.604
234 HE3 LYS 26 3HE LYS 26 -8.170 19.491 9.323
235 HZ1 LYS 26 1HZ LYS 26 -9.818 21.635 8.096
236 HZ2 LYS 26 2HZ LYS 26 -9.863 21.129 9.709
237 HZ3 LYS 26 3HZ LYS 26 -10.386 20.089 8.482
238 H HIS 27 H HIS 27 -4.130 24.127 5.582
239 HA HIS 27 HA HIS 27 -2.778 26.412 6.814
240 HB2 HIS 27 2HB HIS 27 -1.296 24.162 5.438
241 HB3 HIS 27 3HB HIS 27 -0.580 25.614 6.131
242 HD1 HIS 27 HD1 HIS 27 -2.292 22.414 7.159
243 HD2 HIS 27 HD2 HIS 27 -0.054 25.490 8.830
244 HE1 HIS 27 HE1 HIS 27 -1.757 21.662 9.498
245 H GLY 28 H GLY 28 -3.183 24.464 3.867
246 HA2 GLY 28 2HA GLY 28 -3.995 25.390 1.829
247 HA3 GLY 28 3HA GLY 28 -3.418 26.966 2.349
248 H TYR 29 H TYR 29 -1.423 24.126 2.640
249 HA TYR 29 HA TYR 29 0.179 25.049 0.346
250 HB2 TYR 29 2HB TYR 29 1.077 24.271 3.110
251 HB3 TYR 29 3HB TYR 29 2.171 24.169 1.736
252 HD1 TYR 29 HD1 TYR 29 3.463 26.013 1.204
253 HD2 TYR 29 HD2 TYR 29 -0.136 26.590 3.399
254 HE1 TYR 29 HE1 TYR 29 4.003 28.400 1.450
255 HE2 TYR 29 HE2 TYR 29 0.394 28.979 3.650
256 HH TYR 29 HH TYR 29 2.443 30.608 1.855
257 H TYR 30 H TYR 30 2.050 23.143 0.172
258 HA TYR 30 HA TYR 30 0.769 20.529 0.266
259 HB2 TYR 30 2HB TYR 30 1.985 21.374 -2.341
260 HB3 TYR 30 3HB TYR 30 0.832 20.084 -2.020
261 HD1 TYR 30 HD1 TYR 30 1.212 23.745 -2.349
262 HD2 TYR 30 HD2 TYR 30 -1.511 20.486 -2.088
263 HE1 TYR 30 HE1 TYR 30 -0.628 25.238 -3.008
264 HE2 TYR 30 HE2 TYR 30 -3.358 21.970 -2.747
265 HH TYR 30 HH TYR 30 -2.778 25.343 -3.639
266 HA PRO 31 HA PRO 31 5.462 20.022 -0.775
267 HB2 PRO 31 2HB PRO 31 6.926 22.291 -1.054
268 HB3 PRO 31 3HB PRO 31 6.098 21.510 -2.406
269 HG2 PRO 31 2HG PRO 31 5.246 23.868 -0.771
270 HG3 PRO 31 3HG PRO 31 5.157 23.633 -2.526
271 HD2 PRO 31 2HD PRO 31 3.015 23.307 -0.902
272 HD3 PRO 31 3HD PRO 31 3.242 22.357 -2.385
273 H TRP 32 H TRP 32 7.681 21.061 0.310
274 HA TRP 32 HA TRP 32 7.106 20.947 3.138
275 HB2 TRP 32 2HB TRP 32 9.383 20.541 3.452
276 HB3 TRP 32 3HB TRP 32 9.076 19.830 1.870
277 HD1 TRP 32 HD1 TRP 32 11.071 22.541 3.585
278 HE1 TRP 32 HE1 TRP 32 12.622 23.671 1.870
279 HE3 TRP 32 HE3 TRP 32 9.190 20.476 -0.697
280 HZ2 TRP 32 HZ2 TRP 32 12.999 23.686 -0.927
281 HZ3 TRP 32 HZ3 TRP 32 10.202 21.101 -2.851
282 HH2 TRP 32 HH2 TRP 32 12.067 22.673 -2.962
283 H GLU 33 H GLU 33 6.899 23.387 1.042
284 HA GLU 33 HA GLU 33 8.306 25.414 2.567
285 HB2 GLU 33 2HB GLU 33 6.406 25.864 0.269
286 HB3 GLU 33 3HB GLU 33 7.664 26.943 0.855
287 HG2 GLU 33 2HG GLU 33 9.380 25.477 0.050
288 HG3 GLU 33 3HG GLU 33 8.187 24.256 -0.391
289 H ILE 34 H ILE 34 6.514 24.195 4.201
290 HA ILE 34 HA ILE 34 4.126 25.880 4.297
291 HB ILE 34 HB ILE 34 4.883 23.516 6.019
292 HG12 ILE 34 2HG1 ILE 34 2.641 23.463 4.053
293 HG13 ILE 34 3HG1 ILE 34 4.282 23.322 3.433
294 HG21 ILE 34 1HG2 ILE 34 3.381 25.143 7.114
295 HG22 ILE 34 2HG2 ILE 34 2.243 24.951 5.781
296 HG23 ILE 34 3HG2 ILE 34 2.610 23.582 6.830
297 HD11 ILE 34 1HD1 ILE 34 3.412 21.575 5.681
298 HD12 ILE 34 2HD1 ILE 34 2.916 21.197 4.031
299 HD13 ILE 34 3HD1 ILE 34 4.629 21.290 4.438
300 HA PRO 35 HA PRO 35 5.958 28.556 7.304
301 HB2 PRO 35 2HB PRO 35 3.677 29.787 8.110
302 HB3 PRO 35 3HB PRO 35 4.464 30.138 6.567
303 HG2 PRO 35 2HG PRO 35 2.114 28.373 7.137
304 HG3 PRO 35 3HG PRO 35 2.349 29.531 5.814
305 HD2 PRO 35 2HD PRO 35 2.693 26.864 5.494
306 HD3 PRO 35 3HD PRO 35 3.640 28.065 4.592
307 H ARG 36 H ARG 36 5.031 29.367 9.633
308 HA ARG 36 HA ARG 36 4.449 26.899 11.136
309 HB2 ARG 36 2HB ARG 36 5.963 29.280 12.202
310 HB3 ARG 36 3HB ARG 36 5.821 27.683 12.923
311 HG2 ARG 36 2HG ARG 36 7.276 28.344 10.371
312 HG3 ARG 36 3HG ARG 36 8.017 28.018 11.939
313 HD2 ARG 36 2HD ARG 36 6.347 25.846 11.505
314 HD3 ARG 36 3HD ARG 36 7.050 26.174 9.921
315 HE ARG 36 HE ARG 36 9.042 25.385 10.702
316 HH11 ARG 36 1HH1 ARG 36 7.033 26.223 13.418
317 HH12 ARG 36 2HH1 ARG 36 8.138 25.594 14.596
318 HH21 ARG 36 1HH2 ARG 36 10.505 24.553 12.242
319 HH22 ARG 36 2HH2 ARG 36 10.112 24.645 13.926
320 H CYS 37 H CYS 37 3.321 27.218 13.199
321 HA CYS 37 HA CYS 37 0.985 28.763 12.873
322 HB2 CYS 37 2HB CYS 37 0.362 27.999 15.076
323 HB3 CYS 37 3HB CYS 37 1.132 26.670 14.218
324 HG CYS 37 HG CYS 37 2.762 26.140 16.116