Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
21259 | 2hep RC | 7225 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1HT MET 1 4.185 -2.677 -15.979
2 2H MET 1 2HT MET 1 4.412 -3.448 -14.483
3 3H MET 1 3HT MET 1 2.892 -2.807 -14.889
4 HA MET 1 HA MET 1 2.517 -4.432 -16.537
5 1HB MET 1 2HB MET 1 4.442 -6.226 -16.737
6 2HB MET 1 1HB MET 1 4.530 -4.731 -17.666
7 1HG MET 1 2HG MET 1 6.119 -3.774 -16.204
8 2HG MET 1 1HG MET 1 5.748 -4.916 -14.912
9 1HE MET 1 1HE MET 1 6.599 -5.984 -18.907
10 2HE MET 1 2HE MET 1 8.212 -5.323 -18.655
11 3HE MET 1 3HE MET 1 6.799 -4.319 -18.344
12 H ILE 2 H ILE 2 3.731 -4.370 -13.368
13 HA ILE 2 HA ILE 2 3.206 -7.093 -12.635
14 HB ILE 2 HB ILE 2 3.430 -4.624 -10.892
15 1HG1 ILE 2 2HG1 ILE 2 5.460 -4.977 -12.225
16 2HG1 ILE 2 1HG1 ILE 2 5.763 -5.417 -10.545
17 1HG2 ILE 2 1HG2 ILE 2 2.394 -6.362 -9.624
18 2HG2 ILE 2 2HG2 ILE 2 4.101 -6.405 -9.186
19 3HG2 ILE 2 3HG2 ILE 2 3.450 -7.591 -10.317
20 1HD1 ILE 2 1HD1 ILE 2 5.078 -7.825 -11.314
21 2HD1 ILE 2 2HD1 ILE 2 6.689 -7.228 -11.709
22 3HD1 ILE 2 3HD1 ILE 2 5.422 -7.215 -12.934
23 H SER 3 H SER 3 1.481 -7.905 -11.423
24 HA SER 3 HA SER 3 -0.793 -6.359 -10.669
25 1HB SER 3 2HB SER 3 -2.397 -7.180 -12.311
26 2HB SER 3 1HB SER 3 -1.099 -6.322 -13.134
27 HG SER 3 HG SER 3 -0.480 -8.929 -12.791
28 H ASN 4 H ASN 4 1.106 -8.667 -9.949
29 HA ASN 4 HA ASN 4 -0.633 -10.942 -9.617
30 1HB ASN 4 2HB ASN 4 1.262 -11.883 -8.313
31 2HB ASN 4 1HB ASN 4 1.747 -11.312 -9.906
32 1HD2 ASN 4 1HD2 ASN 4 1.977 -10.630 -6.433
33 2HD2 ASN 4 2HD2 ASN 4 3.207 -9.468 -6.573
34 H ALA 5 H ALA 5 0.202 -11.672 -6.960
35 HA ALA 5 HA ALA 5 -1.933 -10.714 -5.443
36 1HB ALA 5 1HB ALA 5 0.657 -11.721 -4.265
37 2HB ALA 5 2HB ALA 5 -0.515 -12.789 -5.037
38 3HB ALA 5 3HB ALA 5 -0.971 -11.869 -3.603
39 H LYS 6 H LYS 6 0.909 -9.082 -6.275
40 HA LYS 6 HA LYS 6 1.330 -7.539 -3.920
41 1HB LYS 6 2HB LYS 6 3.072 -7.723 -5.609
42 2HB LYS 6 1HB LYS 6 2.026 -6.970 -6.813
43 1HG LYS 6 2HG LYS 6 2.034 -4.875 -5.635
44 2HG LYS 6 1HG LYS 6 2.812 -5.599 -4.228
45 1HD LYS 6 2HD LYS 6 4.127 -5.592 -6.951
46 2HD LYS 6 1HD LYS 6 4.321 -4.255 -5.819
47 1HE LYS 6 2HE LYS 6 4.873 -6.295 -4.150
48 2HE LYS 6 1HE LYS 6 5.383 -7.034 -5.669
49 1HZ LYS 6 1HZ LYS 6 6.869 -5.339 -4.170
50 2HZ LYS 6 2HZ LYS 6 6.250 -4.311 -5.373
51 3HZ LYS 6 3HZ LYS 6 7.139 -5.693 -5.806
52 H ILE 7 H ILE 7 -0.165 -6.652 -7.045
53 HA ILE 7 HA ILE 7 -1.179 -4.165 -6.263
54 HB ILE 7 HB ILE 7 -1.937 -6.158 -8.381
55 1HG1 ILE 7 2HG1 ILE 7 -1.297 -4.217 -9.830
56 2HG1 ILE 7 1HG1 ILE 7 -0.930 -3.292 -8.375
57 1HG2 ILE 7 1HG2 ILE 7 -3.475 -3.677 -7.580
58 2HG2 ILE 7 2HG2 ILE 7 -4.099 -5.304 -7.851
59 3HG2 ILE 7 3HG2 ILE 7 -3.545 -4.335 -9.215
60 1HD1 ILE 7 1HD1 ILE 7 0.916 -4.635 -7.833
61 2HD1 ILE 7 2HD1 ILE 7 1.012 -4.549 -9.591
62 3HD1 ILE 7 3HD1 ILE 7 0.346 -5.985 -8.815
63 H ALA 8 H ALA 8 -2.693 -7.375 -6.165
64 HA ALA 8 HA ALA 8 -5.202 -6.607 -5.182
65 1HB ALA 8 1HB ALA 8 -5.320 -8.971 -4.333
66 2HB ALA 8 2HB ALA 8 -3.638 -9.168 -4.826
67 3HB ALA 8 3HB ALA 8 -4.877 -8.831 -6.035
68 H ARG 9 H ARG 9 -2.276 -7.627 -3.427
69 HA ARG 9 HA ARG 9 -3.331 -7.474 -0.827
70 1HB ARG 9 2HB ARG 9 -1.203 -8.576 -1.319
71 2HB ARG 9 1HB ARG 9 -0.488 -7.032 -1.778
72 1HG ARG 9 2HG ARG 9 0.156 -7.595 0.518
73 2HG ARG 9 1HG ARG 9 -0.896 -6.181 0.525
74 1HD ARG 9 2HD ARG 9 -2.713 -7.369 1.382
75 2HD ARG 9 1HD ARG 9 -2.103 -8.917 0.802
76 HE ARG 9 HE ARG 9 -0.413 -7.707 2.807
77 1HH1 ARG 9 1HH2 ARG 9 -3.221 -9.645 2.194
78 2HH1 ARG 9 2HH2 ARG 9 -3.155 -10.461 3.720
79 1HH2 ARG 9 1HH1 ARG 9 -0.332 -8.768 4.806
80 2HH2 ARG 9 2HH1 ARG 9 -1.523 -9.963 5.199
81 H ILE 10 H ILE 10 -1.491 -5.056 -2.688
82 HA ILE 10 HA ILE 10 -1.385 -3.021 -0.815
83 HB ILE 10 HB ILE 10 -1.633 -2.898 -3.825
84 1HG1 ILE 10 2HG1 ILE 10 0.753 -2.320 -2.055
85 2HG1 ILE 10 1HG1 ILE 10 0.398 -3.947 -2.635
86 1HG2 ILE 10 1HG2 ILE 10 -1.230 -0.708 -1.780
87 2HG2 ILE 10 2HG2 ILE 10 -2.378 -0.753 -3.118
88 3HG2 ILE 10 3HG2 ILE 10 -0.657 -0.544 -3.439
89 1HD1 ILE 10 1HD1 ILE 10 0.732 -1.531 -4.438
90 2HD1 ILE 10 2HD1 ILE 10 0.538 -3.208 -4.948
91 3HD1 ILE 10 3HD1 ILE 10 2.004 -2.707 -4.106
92 H ASN 11 H ASN 11 -3.906 -3.461 -3.320
93 HA ASN 11 HA ASN 11 -5.535 -1.331 -2.486
94 1HB ASN 11 2HB ASN 11 -6.909 -1.993 -4.159
95 2HB ASN 11 1HB ASN 11 -5.591 -3.079 -4.571
96 1HD2 ASN 11 1HD2 ASN 11 -6.230 -5.211 -4.799
97 2HD2 ASN 11 2HD2 ASN 11 -7.570 -5.922 -4.038
98 H GLU 12 H GLU 12 -5.465 -4.724 -1.490
99 HA GLU 12 HA GLU 12 -7.795 -4.719 0.083
100 1HB GLU 12 2HB GLU 12 -5.300 -6.376 0.029
101 2HB GLU 12 1HB GLU 12 -6.426 -6.562 1.373
102 1HG GLU 12 2HG GLU 12 -7.167 -6.782 -1.561
103 2HG GLU 12 1HG GLU 12 -6.915 -8.148 -0.476
104 H LEU 13 H LEU 13 -4.408 -4.451 1.193
105 HA LEU 13 HA LEU 13 -4.999 -3.790 3.852
106 1HB LEU 13 2HB LEU 13 -2.717 -4.322 2.505
107 2HB LEU 13 1HB LEU 13 -2.572 -2.572 2.659
108 HG LEU 13 HG LEU 13 -3.204 -4.389 5.000
109 1HD1 LEU 13 1HD1 LEU 13 -0.990 -4.960 4.087
110 2HD1 LEU 13 2HD1 LEU 13 -0.825 -4.111 5.624
111 3HD1 LEU 13 3HD1 LEU 13 -0.533 -3.256 4.109
112 1HD2 LEU 13 1HD2 LEU 13 -2.100 -2.234 6.098
113 2HD2 LEU 13 2HD2 LEU 13 -3.810 -2.245 5.668
114 3HD2 LEU 13 3HD2 LEU 13 -2.638 -1.470 4.603
115 H ALA 14 H ALA 14 -4.317 -1.670 1.075
116 HA ALA 14 HA ALA 14 -4.402 0.791 2.371
117 1HB ALA 14 1HB ALA 14 -3.697 0.543 0.040
118 2HB ALA 14 2HB ALA 14 -4.987 1.737 0.168
119 3HB ALA 14 3HB ALA 14 -5.343 0.115 -0.425
120 H ALA 15 H ALA 15 -7.089 -0.812 0.649
121 HA ALA 15 HA ALA 15 -9.078 1.032 1.381
122 1HB ALA 15 1HB ALA 15 -9.297 -1.903 0.678
123 2HB ALA 15 2HB ALA 15 -9.436 -0.536 -0.428
124 3HB ALA 15 3HB ALA 15 -10.669 -0.802 0.804
125 H LYS 16 H LYS 16 -7.921 -1.891 2.996
126 HA LYS 16 HA LYS 16 -9.931 -2.045 4.978
127 1HB LYS 16 2HB LYS 16 -7.303 -3.269 4.491
128 2HB LYS 16 1HB LYS 16 -7.691 -3.080 6.199
129 1HG LYS 16 2HG LYS 16 -8.573 -5.212 5.540
130 2HG LYS 16 1HG LYS 16 -9.951 -4.124 5.694
131 1HD LYS 16 2HD LYS 16 -9.463 -3.684 3.116
132 2HD LYS 16 1HD LYS 16 -8.708 -5.274 3.221
133 1HE LYS 16 2HE LYS 16 -11.547 -4.635 4.082
134 2HE LYS 16 1HE LYS 16 -11.100 -5.429 2.571
135 1HZ LYS 16 1HZ LYS 16 -11.326 -6.529 5.188
136 2HZ LYS 16 2HZ LYS 16 -9.790 -6.832 4.528
137 3HZ LYS 16 3HZ LYS 16 -11.188 -7.322 3.696
138 H ALA 17 H ALA 17 -6.566 -0.923 5.330
139 HA ALA 17 HA ALA 17 -6.881 0.283 7.837
140 1HB ALA 17 1HB ALA 17 -4.767 1.281 7.465
141 2HB ALA 17 2HB ALA 17 -4.992 1.299 5.715
142 3HB ALA 17 3HB ALA 17 -4.716 -0.228 6.553
143 H LYS 18 H LYS 18 -7.755 1.350 4.639
144 HA LYS 18 HA LYS 18 -7.989 4.144 5.300
145 1HB LYS 18 2HB LYS 18 -7.676 3.584 2.990
146 2HB LYS 18 1HB LYS 18 -9.061 2.494 3.004
147 1HG LYS 18 2HG LYS 18 -10.612 4.245 3.077
148 2HG LYS 18 1HG LYS 18 -9.437 5.390 3.725
149 1HD LYS 18 2HD LYS 18 -8.241 5.397 1.570
150 2HD LYS 18 1HD LYS 18 -9.399 4.238 0.918
151 1HE LYS 18 2HE LYS 18 -10.196 6.950 2.013
152 2HE LYS 18 1HE LYS 18 -9.873 6.647 0.305
153 1HZ LYS 18 1HZ LYS 18 -11.631 5.082 0.213
154 2HZ LYS 18 2HZ LYS 18 -12.253 6.469 0.971
155 3HZ LYS 18 3HZ LYS 18 -11.843 5.103 1.895
156 H ALA 19 H ALA 19 -10.435 1.622 4.635
157 HA ALA 19 HA ALA 19 -12.594 3.221 5.638
158 1HB ALA 19 1HB ALA 19 -13.977 1.324 5.195
159 2HB ALA 19 2HB ALA 19 -12.597 0.226 5.229
160 3HB ALA 19 3HB ALA 19 -12.777 1.376 3.904
161 H GLY 20 H GLY 20 -10.117 1.753 7.238
162 1HA GLY 20 2HA GLY 20 -11.737 0.899 9.545
163 2HA GLY 20 1HA GLY 20 -10.032 0.543 9.293
164 H VAL 21 H VAL 21 -8.516 2.390 9.409
165 HA VAL 21 HA VAL 21 -9.407 4.801 10.756
166 HB VAL 21 HB VAL 21 -7.771 4.427 12.668
167 1HG1 VAL 21 1HG1 VAL 21 -10.025 2.417 12.695
168 2HG1 VAL 21 2HG1 VAL 21 -10.336 4.153 12.734
169 3HG1 VAL 21 3HG1 VAL 21 -9.410 3.394 14.028
170 1HG2 VAL 21 1HG2 VAL 21 -7.382 1.986 13.205
171 2HG2 VAL 21 2HG2 VAL 21 -6.491 2.573 11.803
172 3HG2 VAL 21 3HG2 VAL 21 -7.945 1.602 11.578
173 H ILE 22 H ILE 22 -6.752 2.762 9.664
174 HA ILE 22 HA ILE 22 -4.843 3.227 8.501
175 HB ILE 22 HB ILE 22 -6.621 5.279 7.720
176 1HG1 ILE 22 2HG1 ILE 22 -5.551 3.718 6.198
177 2HG1 ILE 22 1HG1 ILE 22 -5.102 5.354 5.724
178 1HG2 ILE 22 1HG2 ILE 22 -5.348 6.908 9.023
179 2HG2 ILE 22 2HG2 ILE 22 -5.044 7.163 7.308
180 3HG2 ILE 22 3HG2 ILE 22 -3.839 6.348 8.302
181 1HD1 ILE 22 1HD1 ILE 22 -3.009 4.393 5.697
182 2HD1 ILE 22 2HD1 ILE 22 -3.426 3.196 6.923
183 3HD1 ILE 22 3HD1 ILE 22 -3.064 4.855 7.398
184 H THR 23 H THR 23 -2.840 3.521 9.242
185 HA THR 23 HA THR 23 -2.390 5.511 11.380
186 HB THR 23 HB THR 23 -1.091 3.924 12.648
187 HG1 THR 23 HG1 THR 23 -0.524 2.010 11.869
188 1HG2 THR 23 1HG2 THR 23 -2.821 2.339 13.293
189 2HG2 THR 23 2HG2 THR 23 -3.652 2.570 11.756
190 3HG2 THR 23 3HG2 THR 23 -3.577 3.888 12.925
191 H GLU 24 H GLU 24 -0.273 6.330 11.522
192 HA GLU 24 HA GLU 24 1.045 6.928 9.171
193 1HB GLU 24 2HB GLU 24 1.396 8.055 11.375
194 2HB GLU 24 1HB GLU 24 2.344 6.662 11.895
195 1HG GLU 24 2HG GLU 24 3.747 7.068 9.757
196 2HG GLU 24 1HG GLU 24 2.976 8.650 9.712
197 H GLU 25 H GLU 25 1.676 4.266 11.429
198 HA GLU 25 HA GLU 25 3.988 3.231 10.217
199 1HB GLU 25 2HB GLU 25 1.865 1.560 11.570
200 2HB GLU 25 1HB GLU 25 3.599 1.250 11.484
201 1HG GLU 25 2HG GLU 25 2.183 3.424 13.045
202 2HG GLU 25 1HG GLU 25 3.176 2.114 13.679
203 H GLU 26 H GLU 26 0.583 2.239 9.795
204 HA GLU 26 HA GLU 26 1.063 0.343 7.758
205 1HB GLU 26 2HB GLU 26 -1.388 1.965 8.475
206 2HB GLU 26 1HB GLU 26 -1.388 0.730 7.218
207 1HG GLU 26 2HG GLU 26 -0.697 -0.968 8.839
208 2HG GLU 26 1HG GLU 26 -0.596 0.253 10.107
209 H LYS 27 H LYS 27 -0.059 3.722 7.559
210 HA LYS 27 HA LYS 27 -0.225 3.982 4.805
211 1HB LYS 27 2HB LYS 27 -0.913 5.668 6.561
212 2HB LYS 27 1HB LYS 27 0.783 6.140 6.667
213 1HG LYS 27 2HG LYS 27 0.771 6.636 4.227
214 2HG LYS 27 1HG LYS 27 -0.947 6.235 4.176
215 1HD LYS 27 2HD LYS 27 -1.336 8.006 5.926
216 2HD LYS 27 1HD LYS 27 0.355 8.476 5.749
217 1HE LYS 27 2HE LYS 27 -1.629 8.403 3.458
218 2HE LYS 27 1HE LYS 27 -1.225 9.858 4.367
219 1HZ LYS 27 1HZ LYS 27 0.642 8.185 2.778
220 2HZ LYS 27 2HZ LYS 27 1.118 9.488 3.759
221 3HZ LYS 27 3HZ LYS 27 0.122 9.757 2.409
222 H ALA 28 H ALA 28 2.622 4.252 6.901
223 HA ALA 28 HA ALA 28 4.440 5.212 4.970
224 1HB ALA 28 1HB ALA 28 4.977 3.442 7.370
225 2HB ALA 28 2HB ALA 28 4.936 5.205 7.378
226 3HB ALA 28 3HB ALA 28 6.190 4.357 6.474
227 H GLU 29 H GLU 29 3.545 1.905 5.910
228 HA GLU 29 HA GLU 29 5.397 0.520 4.324
229 1HB GLU 29 2HB GLU 29 2.811 -0.113 5.626
230 2HB GLU 29 1HB GLU 29 3.288 -1.173 4.301
231 1HG GLU 29 2HG GLU 29 4.231 -2.136 6.274
232 2HG GLU 29 1HG GLU 29 5.567 -1.352 5.435
233 H GLN 30 H GLN 30 1.962 1.178 3.574
234 HA GLN 30 HA GLN 30 1.917 0.275 0.959
235 1HB GLN 30 2HB GLN 30 0.437 2.797 1.558
236 2HB GLN 30 1HB GLN 30 -0.115 1.332 0.751
237 1HG GLN 30 2HG GLN 30 0.109 0.178 3.035
238 2HG GLN 30 1HG GLN 30 0.250 1.798 3.708
239 1HE2 GLN 30 1HE2 GLN 30 -1.911 0.634 4.694
240 2HE2 GLN 30 2HE2 GLN 30 -3.339 1.089 3.897
241 H GLN 31 H GLN 31 3.273 3.228 2.241
242 HA GLN 31 HA GLN 31 3.457 4.779 -0.075
243 1HB GLN 31 2HB GLN 31 4.097 5.296 2.419
244 2HB GLN 31 1HB GLN 31 5.698 4.753 1.916
245 1HG GLN 31 2HG GLN 31 5.435 6.371 -0.068
246 2HG GLN 31 1HG GLN 31 4.081 7.059 0.825
247 1HE2 GLN 31 1HE2 GLN 31 6.600 8.456 0.231
248 2HE2 GLN 31 2HE2 GLN 31 7.321 8.815 1.724
249 H LYS 32 H LYS 32 6.052 2.729 1.311
250 HA LYS 32 HA LYS 32 7.786 2.955 -0.880
251 1HB LYS 32 2HB LYS 32 9.116 1.391 0.183
252 2HB LYS 32 1HB LYS 32 8.140 1.963 1.533
253 1HG LYS 32 2HG LYS 32 6.553 0.049 1.094
254 2HG LYS 32 1HG LYS 32 7.711 -0.565 -0.085
255 1HD LYS 32 2HD LYS 32 9.442 -0.664 1.687
256 2HD LYS 32 1HD LYS 32 8.253 -0.102 2.863
257 1HE LYS 32 2HE LYS 32 7.586 -2.497 1.189
258 2HE LYS 32 1HE LYS 32 8.703 -2.697 2.538
259 1HZ LYS 32 1HZ LYS 32 6.084 -1.349 2.836
260 2HZ LYS 32 2HZ LYS 32 7.101 -1.950 4.057
261 3HZ LYS 32 3HZ LYS 32 6.268 -3.022 3.036
262 H LEU 33 H LEU 33 5.223 0.606 -0.207
263 HA LEU 33 HA LEU 33 5.728 -1.197 -2.285
264 1HB LEU 33 2HB LEU 33 3.184 -0.376 -0.888
265 2HB LEU 33 1HB LEU 33 3.201 -1.614 -2.144
266 HG LEU 33 HG LEU 33 4.993 -1.704 0.299
267 1HD1 LEU 33 1HD1 LEU 33 3.389 -3.459 1.105
268 2HD1 LEU 33 2HD1 LEU 33 2.298 -3.003 -0.204
269 3HD1 LEU 33 3HD1 LEU 33 2.691 -1.840 1.063
270 1HD2 LEU 33 1HD2 LEU 33 5.954 -3.140 -1.261
271 2HD2 LEU 33 2HD2 LEU 33 4.411 -3.498 -2.036
272 3HD2 LEU 33 3HD2 LEU 33 4.810 -4.234 -0.484
273 H ARG 34 H ARG 34 3.373 1.492 -2.284
274 HA ARG 34 HA ARG 34 2.799 1.301 -5.056
275 1HB ARG 34 2HB ARG 34 2.332 3.417 -2.966
276 2HB ARG 34 1HB ARG 34 1.920 3.705 -4.657
277 1HG ARG 34 2HG ARG 34 0.968 1.268 -3.133
278 2HG ARG 34 1HG ARG 34 0.038 2.764 -3.218
279 1HD ARG 34 2HD ARG 34 0.438 2.507 -5.817
280 2HD ARG 34 1HD ARG 34 0.699 0.815 -5.403
281 HE ARG 34 HE ARG 34 -1.575 0.618 -4.964
282 1HH1 ARG 34 1HH2 ARG 34 -0.640 3.951 -5.165
283 2HH1 ARG 34 2HH2 ARG 34 -2.265 4.548 -5.135
284 1HH2 ARG 34 1HH1 ARG 34 -3.704 1.402 -4.928
285 2HH2 ARG 34 2HH1 ARG 34 -3.997 3.107 -5.002
286 H GLN 35 H GLN 35 5.028 3.345 -3.204
287 HA GLN 35 HA GLN 35 5.867 5.004 -5.317
288 1HB GLN 35 2HB GLN 35 6.396 5.576 -3.028
289 2HB GLN 35 1HB GLN 35 7.321 4.090 -2.825
290 1HG GLN 35 2HG GLN 35 8.792 6.051 -3.226
291 2HG GLN 35 1HG GLN 35 8.950 4.837 -4.493
292 1HE2 GLN 35 1HE2 GLN 35 9.430 6.160 -6.299
293 2HE2 GLN 35 2HE2 GLN 35 8.415 7.405 -6.848
294 H GLU 36 H GLU 36 7.001 1.836 -4.222
295 HA GLU 36 HA GLU 36 9.272 1.674 -5.908
296 1HB GLU 36 2HB GLU 36 9.032 0.171 -4.021
297 2HB GLU 36 1HB GLU 36 7.545 -0.496 -4.692
298 1HG GLU 36 2HG GLU 36 8.740 -1.439 -6.576
299 2HG GLU 36 1HG GLU 36 10.228 -0.626 -6.096
300 H TYR 37 H TYR 37 6.002 0.273 -6.264
301 HA TYR 37 HA TYR 37 6.316 -0.846 -8.790
302 1HB TYR 37 2HB TYR 37 4.330 -1.317 -7.513
303 2HB TYR 37 1HB TYR 37 3.866 0.385 -7.510
304 HD1 TYR 37 HD1 TYR 37 2.332 1.114 -9.115
305 HD2 TYR 37 HD2 TYR 37 4.754 -2.337 -9.948
306 HE1 TYR 37 HE1 TYR 37 1.153 0.806 -11.273
307 HE2 TYR 37 HE2 TYR 37 3.572 -2.644 -12.106
308 HH TYR 37 HH TYR 37 2.293 -1.266 -13.709
309 H LEU 38 H LEU 38 5.285 2.445 -7.922
310 HA LEU 38 HA LEU 38 4.798 3.400 -10.515
311 1HB LEU 38 2HB LEU 38 5.237 4.557 -7.849
312 2HB LEU 38 1HB LEU 38 5.757 5.605 -9.166
313 HG LEU 38 HG LEU 38 3.368 5.959 -8.517
314 1HD1 LEU 38 1HD1 LEU 38 4.425 6.083 -10.958
315 2HD1 LEU 38 2HD1 LEU 38 2.699 6.332 -10.698
316 3HD1 LEU 38 3HD1 LEU 38 3.288 4.768 -11.260
317 1HD2 LEU 38 1HD2 LEU 38 3.211 3.291 -8.200
318 2HD2 LEU 38 2HD2 LEU 38 2.607 3.402 -9.852
319 3HD2 LEU 38 3HD2 LEU 38 1.795 4.279 -8.555
320 H LYS 39 H LYS 39 7.779 3.176 -8.642
321 HA LYS 39 HA LYS 39 9.426 4.694 -10.373
322 1HB LYS 39 2HB LYS 39 9.848 3.876 -7.946
323 2HB LYS 39 1HB LYS 39 10.450 2.407 -8.714
324 1HG LYS 39 2HG LYS 39 12.047 3.743 -10.036
325 2HG LYS 39 1HG LYS 39 11.440 5.218 -9.284
326 1HD LYS 39 2HD LYS 39 13.290 4.761 -7.942
327 2HD LYS 39 1HD LYS 39 12.007 3.958 -7.038
328 1HE LYS 39 2HE LYS 39 12.613 1.878 -8.499
329 2HE LYS 39 1HE LYS 39 14.126 2.735 -8.794
330 1HZ LYS 39 1HZ LYS 39 13.772 1.139 -6.725
331 2HZ LYS 39 2HZ LYS 39 13.212 2.585 -6.031
332 3HZ LYS 39 3HZ LYS 39 14.786 2.497 -6.662
333 H GLY 40 H GLY 40 8.412 1.326 -10.419
334 1HA GLY 40 2HA GLY 40 10.260 0.756 -12.644
335 2HA GLY 40 1HA GLY 40 9.370 -0.441 -11.711
336 H PHE 41 H PHE 41 6.879 1.131 -11.880
337 HA PHE 41 HA PHE 41 4.985 0.521 -13.174
338 1HB PHE 41 2HB PHE 41 5.468 2.970 -13.199
339 2HB PHE 41 1HB PHE 41 6.314 2.753 -14.728
340 HD1 PHE 41 HD1 PHE 41 5.070 3.199 -16.651
341 HD2 PHE 41 HD2 PHE 41 3.059 1.698 -13.161
342 HE1 PHE 41 HE1 PHE 41 2.902 3.321 -17.846
343 HE2 PHE 41 HE2 PHE 41 0.893 1.819 -14.360
344 HZ PHE 41 HZ PHE 41 0.812 2.631 -16.702
345 H ARG 42 H ARG 42 6.275 1.679 -16.122
346 HA ARG 42 HA ARG 42 5.938 -0.954 -17.334
347 1HB ARG 42 2HB ARG 42 6.005 0.204 -19.448
348 2HB ARG 42 1HB ARG 42 4.965 1.123 -18.362
349 1HG ARG 42 2HG ARG 42 7.035 2.519 -17.791
350 2HG ARG 42 1HG ARG 42 7.813 1.744 -19.171
351 1HD ARG 42 2HD ARG 42 5.943 2.529 -20.620
352 2HD ARG 42 1HD ARG 42 5.263 3.380 -19.235
353 HE ARG 42 HE ARG 42 7.952 4.178 -19.572
354 1HH1 ARG 42 1HH2 ARG 42 4.841 4.411 -21.084
355 2HH1 ARG 42 2HH2 ARG 42 5.173 5.937 -21.834
356 1HH2 ARG 42 1HH1 ARG 42 8.383 6.172 -20.551
357 2HH2 ARG 42 2HH1 ARG 42 7.176 6.933 -21.532
Start of MODEL 2
1 1H MET 1 1HT MET 1 4.330 -7.456 -14.596
2 2H MET 1 2HT MET 1 5.313 -8.233 -15.743
3 3H MET 1 3HT MET 1 5.227 -6.536 -15.703
4 HA MET 1 HA MET 1 7.209 -7.884 -14.605
5 1HB MET 1 2HB MET 1 5.860 -5.320 -13.742
6 2HB MET 1 1HB MET 1 7.370 -5.859 -13.008
7 1HG MET 1 2HG MET 1 8.427 -5.941 -15.242
8 2HG MET 1 1HG MET 1 6.921 -5.387 -15.972
9 1HE MET 1 1HE MET 1 8.447 -3.668 -17.109
10 2HE MET 1 2HE MET 1 9.908 -3.978 -16.175
11 3HE MET 1 3HE MET 1 9.290 -2.335 -16.308
12 H ILE 2 H ILE 2 4.790 -6.510 -12.379
13 HA ILE 2 HA ILE 2 5.237 -8.817 -10.585
14 HB ILE 2 HB ILE 2 4.352 -5.979 -10.014
15 1HG1 ILE 2 2HG1 ILE 2 6.734 -7.541 -8.974
16 2HG1 ILE 2 1HG1 ILE 2 6.813 -6.506 -10.401
17 1HG2 ILE 2 1HG2 ILE 2 3.081 -7.381 -8.535
18 2HG2 ILE 2 2HG2 ILE 2 4.447 -6.781 -7.599
19 3HG2 ILE 2 3HG2 ILE 2 4.469 -8.426 -8.232
20 1HD1 ILE 2 1HD1 ILE 2 6.112 -5.662 -7.575
21 2HD1 ILE 2 2HD1 ILE 2 5.950 -4.611 -8.982
22 3HD1 ILE 2 3HD1 ILE 2 7.541 -5.199 -8.500
23 H SER 3 H SER 3 2.615 -6.438 -11.014
24 HA SER 3 HA SER 3 0.332 -6.703 -10.887
25 1HB SER 3 2HB SER 3 -0.543 -8.343 -12.582
26 2HB SER 3 1HB SER 3 0.637 -7.200 -13.214
27 HG SER 3 HG SER 3 0.833 -9.941 -12.775
28 H ASN 4 H ASN 4 -0.039 -9.950 -11.602
29 HA ASN 4 HA ASN 4 -1.048 -11.626 -10.398
30 1HB ASN 4 2HB ASN 4 0.432 -12.714 -8.914
31 2HB ASN 4 1HB ASN 4 1.468 -11.876 -10.065
32 1HD2 ASN 4 1HD2 ASN 4 2.670 -9.997 -9.295
33 2HD2 ASN 4 2HD2 ASN 4 2.821 -9.662 -7.638
34 H ALA 5 H ALA 5 -0.954 -12.185 -7.624
35 HA ALA 5 HA ALA 5 -3.258 -10.830 -6.731
36 1HB ALA 5 1HB ALA 5 -2.991 -12.056 -4.686
37 2HB ALA 5 2HB ALA 5 -1.275 -12.316 -5.001
38 3HB ALA 5 3HB ALA 5 -2.486 -13.114 -6.004
39 H LYS 6 H LYS 6 -0.126 -9.672 -6.885
40 HA LYS 6 HA LYS 6 0.107 -8.270 -4.431
41 1HB LYS 6 2HB LYS 6 1.915 -8.725 -6.222
42 2HB LYS 6 1HB LYS 6 1.269 -7.299 -7.035
43 1HG LYS 6 2HG LYS 6 2.888 -6.309 -5.702
44 2HG LYS 6 1HG LYS 6 1.500 -6.224 -4.618
45 1HD LYS 6 2HD LYS 6 2.213 -8.196 -3.427
46 2HD LYS 6 1HD LYS 6 3.475 -8.522 -4.617
47 1HE LYS 6 2HE LYS 6 4.721 -6.580 -3.958
48 2HE LYS 6 1HE LYS 6 3.385 -5.982 -2.972
49 1HZ LYS 6 1HZ LYS 6 5.408 -7.355 -1.972
50 2HZ LYS 6 2HZ LYS 6 4.372 -8.647 -2.349
51 3HZ LYS 6 3HZ LYS 6 3.848 -7.408 -1.310
52 H ILE 7 H ILE 7 -1.339 -7.458 -7.560
53 HA ILE 7 HA ILE 7 -1.846 -4.734 -7.113
54 HB ILE 7 HB ILE 7 -3.622 -6.673 -8.622
55 1HG1 ILE 7 2HG1 ILE 7 -1.395 -6.941 -9.487
56 2HG1 ILE 7 1HG1 ILE 7 -2.240 -5.874 -10.604
57 1HG2 ILE 7 1HG2 ILE 7 -4.056 -4.576 -9.986
58 2HG2 ILE 7 2HG2 ILE 7 -3.222 -3.671 -8.723
59 3HG2 ILE 7 3HG2 ILE 7 -4.707 -4.545 -8.348
60 1HD1 ILE 7 1HD1 ILE 7 -0.087 -5.214 -8.617
61 2HD1 ILE 7 2HD1 ILE 7 -1.254 -3.969 -9.066
62 3HD1 ILE 7 3HD1 ILE 7 -0.240 -4.714 -10.302
63 H ALA 8 H ALA 8 -3.987 -7.529 -6.559
64 HA ALA 8 HA ALA 8 -6.076 -6.120 -5.318
65 1HB ALA 8 1HB ALA 8 -6.274 -8.444 -6.153
66 2HB ALA 8 2HB ALA 8 -6.807 -8.295 -4.479
67 3HB ALA 8 3HB ALA 8 -5.226 -8.986 -4.843
68 H ARG 9 H ARG 9 -3.103 -7.509 -4.045
69 HA ARG 9 HA ARG 9 -3.648 -7.337 -1.298
70 1HB ARG 9 2HB ARG 9 -1.657 -8.445 -2.458
71 2HB ARG 9 1HB ARG 9 -0.940 -6.837 -2.537
72 1HG ARG 9 2HG ARG 9 -1.194 -6.641 -0.060
73 2HG ARG 9 1HG ARG 9 -1.794 -8.300 -0.022
74 1HD ARG 9 2HD ARG 9 0.338 -9.040 -1.107
75 2HD ARG 9 1HD ARG 9 0.936 -7.387 -0.972
76 HE ARG 9 HE ARG 9 0.096 -8.205 1.579
77 1HH1 ARG 9 1HH2 ARG 9 2.480 -8.987 -0.816
78 2HH1 ARG 9 2HH2 ARG 9 3.647 -9.543 0.337
79 1HH2 ARG 9 1HH1 ARG 9 1.623 -8.932 3.084
80 2HH2 ARG 9 2HH1 ARG 9 3.162 -9.511 2.543
81 H ILE 10 H ILE 10 -2.037 -5.000 -3.451
82 HA ILE 10 HA ILE 10 -1.514 -2.979 -1.627
83 HB ILE 10 HB ILE 10 -2.238 -2.848 -4.559
84 1HG1 ILE 10 2HG1 ILE 10 0.447 -2.215 -3.392
85 2HG1 ILE 10 1HG1 ILE 10 -0.038 -3.907 -3.474
86 1HG2 ILE 10 1HG2 ILE 10 -2.771 -0.672 -3.765
87 2HG2 ILE 10 2HG2 ILE 10 -1.119 -0.536 -4.366
88 3HG2 ILE 10 3HG2 ILE 10 -1.417 -0.667 -2.633
89 1HD1 ILE 10 1HD1 ILE 10 1.121 -3.415 -5.522
90 2HD1 ILE 10 2HD1 ILE 10 0.179 -1.946 -5.770
91 3HD1 ILE 10 3HD1 ILE 10 -0.593 -3.523 -5.920
92 H ASN 11 H ASN 11 -4.367 -3.132 -3.790
93 HA ASN 11 HA ASN 11 -5.735 -0.994 -2.565
94 1HB ASN 11 2HB ASN 11 -7.362 -1.393 -4.103
95 2HB ASN 11 1HB ASN 11 -6.126 -2.411 -4.825
96 1HD2 ASN 11 1HD2 ASN 11 -6.800 -4.501 -5.255
97 2HD2 ASN 11 2HD2 ASN 11 -8.070 -5.304 -4.463
98 H GLU 12 H GLU 12 -5.789 -4.471 -1.925
99 HA GLU 12 HA GLU 12 -7.979 -4.547 -0.174
100 1HB GLU 12 2HB GLU 12 -6.975 -6.580 -1.068
101 2HB GLU 12 1HB GLU 12 -5.479 -6.255 -0.194
102 1HG GLU 12 2HG GLU 12 -6.549 -6.555 1.930
103 2HG GLU 12 1HG GLU 12 -8.151 -6.556 1.195
104 H LEU 13 H LEU 13 -4.502 -4.318 0.627
105 HA LEU 13 HA LEU 13 -4.766 -4.056 3.391
106 1HB LEU 13 2HB LEU 13 -2.656 -4.199 1.744
107 2HB LEU 13 1HB LEU 13 -2.642 -2.463 2.043
108 HG LEU 13 HG LEU 13 -2.773 -4.528 4.259
109 1HD1 LEU 13 1HD1 LEU 13 -0.365 -4.063 4.588
110 2HD1 LEU 13 2HD1 LEU 13 -0.368 -3.045 3.147
111 3HD1 LEU 13 3HD1 LEU 13 -0.667 -4.777 3.005
112 1HD2 LEU 13 1HD2 LEU 13 -2.573 -1.542 4.085
113 2HD2 LEU 13 2HD2 LEU 13 -1.721 -2.354 5.398
114 3HD2 LEU 13 3HD2 LEU 13 -3.466 -2.540 5.233
115 H ALA 14 H ALA 14 -4.703 -1.535 0.884
116 HA ALA 14 HA ALA 14 -4.805 0.713 2.530
117 1HB ALA 14 1HB ALA 14 -6.194 0.395 -0.141
118 2HB ALA 14 2HB ALA 14 -4.473 0.730 0.052
119 3HB ALA 14 3HB ALA 14 -5.667 1.903 0.608
120 H ALA 15 H ALA 15 -7.559 -0.956 0.978
121 HA ALA 15 HA ALA 15 -9.585 0.522 2.260
122 1HB ALA 15 1HB ALA 15 -11.053 -1.409 1.618
123 2HB ALA 15 2HB ALA 15 -9.606 -2.263 1.081
124 3HB ALA 15 3HB ALA 15 -10.091 -0.764 0.287
125 H LYS 16 H LYS 16 -7.873 -2.406 3.223
126 HA LYS 16 HA LYS 16 -9.543 -3.190 5.350
127 1HB LYS 16 2HB LYS 16 -6.583 -3.573 4.865
128 2HB LYS 16 1HB LYS 16 -7.427 -4.284 6.240
129 1HG LYS 16 2HG LYS 16 -8.671 -4.689 3.565
130 2HG LYS 16 1HG LYS 16 -7.170 -5.561 3.876
131 1HD LYS 16 2HD LYS 16 -8.138 -6.488 5.951
132 2HD LYS 16 1HD LYS 16 -9.643 -5.623 5.634
133 1HE LYS 16 2HE LYS 16 -8.441 -7.605 3.685
134 2HE LYS 16 1HE LYS 16 -9.629 -8.057 4.907
135 1HZ LYS 16 1HZ LYS 16 -10.150 -5.808 3.075
136 2HZ LYS 16 2HZ LYS 16 -11.259 -6.773 3.925
137 3HZ LYS 16 3HZ LYS 16 -10.440 -7.403 2.576
138 H ALA 17 H ALA 17 -6.395 -1.542 5.578
139 HA ALA 17 HA ALA 17 -6.657 -0.734 8.252
140 1HB ALA 17 1HB ALA 17 -5.081 0.612 6.044
141 2HB ALA 17 2HB ALA 17 -4.518 -0.754 7.007
142 3HB ALA 17 3HB ALA 17 -4.818 0.803 7.777
143 H LYS 18 H LYS 18 -8.099 0.487 5.361
144 HA LYS 18 HA LYS 18 -8.541 3.178 6.158
145 1HB LYS 18 2HB LYS 18 -8.852 2.190 3.825
146 2HB LYS 18 1HB LYS 18 -10.394 1.565 4.402
147 1HG LYS 18 2HG LYS 18 -10.909 3.968 5.146
148 2HG LYS 18 1HG LYS 18 -9.525 4.448 4.162
149 1HD LYS 18 2HD LYS 18 -10.584 3.259 2.213
150 2HD LYS 18 1HD LYS 18 -12.014 3.001 3.214
151 1HE LYS 18 2HE LYS 18 -12.496 4.981 2.005
152 2HE LYS 18 1HE LYS 18 -11.989 5.552 3.594
153 1HZ LYS 18 1HZ LYS 18 -10.401 6.704 2.602
154 2HZ LYS 18 2HZ LYS 18 -10.825 6.072 1.083
155 3HZ LYS 18 3HZ LYS 18 -9.694 5.261 2.058
156 H ALA 19 H ALA 19 -10.925 0.520 6.038
157 HA ALA 19 HA ALA 19 -12.721 1.863 7.829
158 1HB ALA 19 1HB ALA 19 -12.712 -1.038 6.962
159 2HB ALA 19 2HB ALA 19 -13.470 0.274 6.062
160 3HB ALA 19 3HB ALA 19 -14.068 -0.155 7.664
161 H GLY 20 H GLY 20 -9.838 0.331 8.375
162 1HA GLY 20 2HA GLY 20 -10.606 -0.915 10.915
163 2HA GLY 20 1HA GLY 20 -9.026 -1.008 10.144
164 H VAL 21 H VAL 21 -7.746 1.035 10.086
165 HA VAL 21 HA VAL 21 -8.420 3.046 12.084
166 HB VAL 21 HB VAL 21 -6.020 1.222 12.368
167 1HG1 VAL 21 1HG1 VAL 21 -5.150 3.356 12.870
168 2HG1 VAL 21 2HG1 VAL 21 -5.664 2.750 14.444
169 3HG1 VAL 21 3HG1 VAL 21 -6.669 3.911 13.574
170 1HG2 VAL 21 1HG2 VAL 21 -8.454 1.807 14.078
171 2HG2 VAL 21 2HG2 VAL 21 -7.025 0.983 14.699
172 3HG2 VAL 21 3HG2 VAL 21 -7.964 0.255 13.396
173 H ILE 22 H ILE 22 -5.527 1.855 10.395
174 HA ILE 22 HA ILE 22 -4.101 2.836 8.901
175 HB ILE 22 HB ILE 22 -6.616 3.876 8.193
176 1HG1 ILE 22 2HG1 ILE 22 -3.918 4.070 6.814
177 2HG1 ILE 22 1HG1 ILE 22 -5.027 2.702 6.729
178 1HG2 ILE 22 1HG2 ILE 22 -6.185 6.171 7.540
179 2HG2 ILE 22 2HG2 ILE 22 -4.524 6.074 8.120
180 3HG2 ILE 22 3HG2 ILE 22 -5.863 6.031 9.267
181 1HD1 ILE 22 1HD1 ILE 22 -6.721 4.628 5.949
182 2HD1 ILE 22 2HD1 ILE 22 -5.672 3.789 4.807
183 3HD1 ILE 22 3HD1 ILE 22 -5.212 5.376 5.424
184 H THR 23 H THR 23 -2.433 4.332 8.946
185 HA THR 23 HA THR 23 -2.476 6.729 10.476
186 HB THR 23 HB THR 23 -0.512 5.332 11.942
187 HG1 THR 23 HG1 THR 23 -1.691 3.438 11.281
188 1HG2 THR 23 1HG2 THR 23 -1.800 6.025 13.826
189 2HG2 THR 23 2HG2 THR 23 -3.296 6.029 12.892
190 3HG2 THR 23 3HG2 THR 23 -2.063 7.252 12.587
191 H GLU 24 H GLU 24 -0.188 7.578 10.776
192 HA GLU 24 HA GLU 24 1.137 7.784 8.367
193 1HB GLU 24 2HB GLU 24 2.362 7.994 11.131
194 2HB GLU 24 1HB GLU 24 3.058 8.641 9.647
195 1HG GLU 24 2HG GLU 24 1.958 10.505 10.562
196 2HG GLU 24 1HG GLU 24 0.794 9.894 9.389
197 H GLU 25 H GLU 25 1.588 5.421 10.935
198 HA GLU 25 HA GLU 25 3.969 4.224 10.051
199 1HB GLU 25 2HB GLU 25 2.880 3.816 12.257
200 2HB GLU 25 1HB GLU 25 1.636 2.875 11.434
201 1HG GLU 25 2HG GLU 25 3.338 1.318 10.596
202 2HG GLU 25 1HG GLU 25 4.608 2.274 11.357
203 H GLU 26 H GLU 26 0.605 3.151 9.498
204 HA GLU 26 HA GLU 26 1.277 1.118 7.642
205 1HB GLU 26 2HB GLU 26 -1.261 2.572 8.340
206 2HB GLU 26 1HB GLU 26 -1.219 1.461 6.972
207 1HG GLU 26 2HG GLU 26 -1.940 0.331 9.062
208 2HG GLU 26 1HG GLU 26 -0.443 -0.350 8.427
209 H LYS 27 H LYS 27 -0.027 4.403 7.153
210 HA LYS 27 HA LYS 27 -0.160 4.448 4.395
211 1HB LYS 27 2HB LYS 27 0.551 6.653 6.340
212 2HB LYS 27 1HB LYS 27 0.198 6.923 4.635
213 1HG LYS 27 2HG LYS 27 -1.996 5.628 5.070
214 2HG LYS 27 1HG LYS 27 -1.652 5.881 6.781
215 1HD LYS 27 2HD LYS 27 -2.820 7.819 6.443
216 2HD LYS 27 1HD LYS 27 -1.263 8.401 5.855
217 1HE LYS 27 2HE LYS 27 -1.919 7.711 3.548
218 2HE LYS 27 1HE LYS 27 -3.504 7.247 4.166
219 1HZ LYS 27 1HZ LYS 27 -2.359 9.905 3.786
220 2HZ LYS 27 2HZ LYS 27 -3.379 9.684 5.128
221 3HZ LYS 27 3HZ LYS 27 -3.953 9.368 3.560
222 H ALA 28 H ALA 28 2.648 5.098 6.480
223 HA ALA 28 HA ALA 28 4.438 5.892 4.450
224 1HB ALA 28 1HB ALA 28 4.935 4.533 7.110
225 2HB ALA 28 2HB ALA 28 5.017 6.261 6.763
226 3HB ALA 28 3HB ALA 28 6.215 5.165 6.074
227 H GLU 29 H GLU 29 3.708 2.708 5.838
228 HA GLU 29 HA GLU 29 5.583 1.187 4.419
229 1HB GLU 29 2HB GLU 29 3.997 0.480 6.338
230 2HB GLU 29 1HB GLU 29 2.816 0.181 5.064
231 1HG GLU 29 2HG GLU 29 3.962 -1.897 5.461
232 2HG GLU 29 1HG GLU 29 4.545 -1.269 3.921
233 H GLN 30 H GLN 30 2.131 1.698 3.656
234 HA GLN 30 HA GLN 30 2.002 0.438 1.204
235 1HB GLN 30 2HB GLN 30 0.608 3.050 1.828
236 2HB GLN 30 1HB GLN 30 0.069 1.780 0.730
237 1HG GLN 30 2HG GLN 30 0.346 0.348 3.027
238 2HG GLN 30 1HG GLN 30 -0.098 1.922 3.686
239 1HE2 GLN 30 1HE2 GLN 30 -1.302 -0.871 1.988
240 2HE2 GLN 30 2HE2 GLN 30 -2.896 -0.317 1.800
241 H GLN 31 H GLN 31 3.046 3.757 1.902
242 HA GLN 31 HA GLN 31 3.360 4.658 -0.730
243 1HB GLN 31 2HB GLN 31 3.455 6.185 1.162
244 2HB GLN 31 1HB GLN 31 4.916 5.401 1.759
245 1HG GLN 31 2HG GLN 31 5.358 7.524 0.485
246 2HG GLN 31 1HG GLN 31 6.173 6.112 -0.183
247 1HE2 GLN 31 1HE2 GLN 31 2.822 7.434 -0.536
248 2HE2 GLN 31 2HE2 GLN 31 2.842 7.408 -2.233
249 H LYS 32 H LYS 32 5.606 2.903 1.383
250 HA LYS 32 HA LYS 32 7.875 3.007 -0.276
251 1HB LYS 32 2HB LYS 32 7.431 2.029 2.189
252 2HB LYS 32 1HB LYS 32 7.384 0.518 1.282
253 1HG LYS 32 2HG LYS 32 9.623 2.549 1.041
254 2HG LYS 32 1HG LYS 32 9.681 1.156 2.119
255 1HD LYS 32 2HD LYS 32 9.056 -0.184 -0.072
256 2HD LYS 32 1HD LYS 32 9.730 1.232 -0.880
257 1HE LYS 32 2HE LYS 32 11.773 0.952 0.631
258 2HE LYS 32 1HE LYS 32 11.111 -0.623 1.070
259 1HZ LYS 32 1HZ LYS 32 10.942 -0.587 -1.640
260 2HZ LYS 32 2HZ LYS 32 12.151 -1.364 -0.733
261 3HZ LYS 32 3HZ LYS 32 12.417 0.197 -1.345
262 H LEU 33 H LEU 33 5.363 0.491 -0.004
263 HA LEU 33 HA LEU 33 6.310 -1.226 -1.999
264 1HB LEU 33 2HB LEU 33 3.364 -0.770 -1.536
265 2HB LEU 33 1HB LEU 33 4.198 -2.266 -1.942
266 HG LEU 33 HG LEU 33 4.327 -0.782 0.696
267 1HD1 LEU 33 1HD1 LEU 33 3.477 -3.633 0.200
268 2HD1 LEU 33 2HD1 LEU 33 2.330 -2.299 0.073
269 3HD1 LEU 33 3HD1 LEU 33 3.147 -2.616 1.603
270 1HD2 LEU 33 1HD2 LEU 33 5.942 -3.083 -0.410
271 2HD2 LEU 33 2HD2 LEU 33 5.696 -2.895 1.326
272 3HD2 LEU 33 3HD2 LEU 33 6.519 -1.633 0.412
273 H ARG 34 H ARG 34 3.893 1.380 -2.249
274 HA ARG 34 HA ARG 34 3.469 1.221 -5.029
275 1HB ARG 34 2HB ARG 34 2.151 2.539 -3.245
276 2HB ARG 34 1HB ARG 34 3.368 3.796 -3.461
277 1HG ARG 34 2HG ARG 34 2.866 3.622 -5.977
278 2HG ARG 34 1HG ARG 34 1.438 2.697 -5.512
279 1HD ARG 34 2HD ARG 34 2.107 5.565 -4.836
280 2HD ARG 34 1HD ARG 34 0.687 4.947 -5.676
281 HE ARG 34 HE ARG 34 0.759 3.816 -3.094
282 1HH1 ARG 34 1HH2 ARG 34 0.332 6.866 -4.685
283 2HH1 ARG 34 2HH2 ARG 34 -0.682 7.523 -3.443
284 1HH2 ARG 34 1HH1 ARG 34 -0.566 4.675 -1.470
285 2HH2 ARG 34 2HH1 ARG 34 -1.189 6.283 -1.626
286 H GLN 35 H GLN 35 5.795 3.088 -3.110
287 HA GLN 35 HA GLN 35 6.921 4.592 -5.199
288 1HB GLN 35 2HB GLN 35 7.388 5.050 -2.829
289 2HB GLN 35 1HB GLN 35 8.248 3.517 -2.694
290 1HG GLN 35 2HG GLN 35 9.945 4.243 -4.243
291 2HG GLN 35 1HG GLN 35 9.026 5.691 -4.652
292 1HE2 GLN 35 1HE2 GLN 35 10.567 4.099 -1.805
293 2HE2 GLN 35 2HE2 GLN 35 10.984 5.556 -1.039
294 H GLU 36 H GLU 36 7.316 1.267 -4.223
295 HA GLU 36 HA GLU 36 9.720 0.702 -5.616
296 1HB GLU 36 2HB GLU 36 8.289 -0.703 -3.854
297 2HB GLU 36 1HB GLU 36 7.632 -1.411 -5.330
298 1HG GLU 36 2HG GLU 36 9.454 -2.789 -5.085
299 2HG GLU 36 1HG GLU 36 10.238 -1.486 -5.973
300 H TYR 37 H TYR 37 6.369 -0.219 -6.481
301 HA TYR 37 HA TYR 37 6.913 -0.992 -9.119
302 1HB TYR 37 2HB TYR 37 4.323 0.377 -8.664
303 2HB TYR 37 1HB TYR 37 4.654 -1.178 -9.400
304 HD1 TYR 37 HD1 TYR 37 3.083 0.294 -6.760
305 HD2 TYR 37 HD2 TYR 37 5.864 -2.873 -7.565
306 HE1 TYR 37 HE1 TYR 37 2.391 -0.851 -4.661
307 HE2 TYR 37 HE2 TYR 37 5.184 -4.015 -5.470
308 HH TYR 37 HH TYR 37 3.634 -4.063 -3.829
309 H LEU 38 H LEU 38 5.713 2.117 -7.903
310 HA LEU 38 HA LEU 38 5.486 3.465 -10.296
311 1HB LEU 38 2HB LEU 38 5.940 4.304 -7.472
312 2HB LEU 38 1HB LEU 38 6.130 5.516 -8.735
313 HG LEU 38 HG LEU 38 3.778 5.237 -7.689
314 1HD1 LEU 38 1HD1 LEU 38 2.753 5.896 -9.722
315 2HD1 LEU 38 2HD1 LEU 38 3.860 4.924 -10.692
316 3HD1 LEU 38 3HD1 LEU 38 4.437 6.388 -9.897
317 1HD2 LEU 38 1HD2 LEU 38 3.641 2.921 -9.638
318 2HD2 LEU 38 2HD2 LEU 38 2.405 3.449 -8.498
319 3HD2 LEU 38 3HD2 LEU 38 3.882 2.692 -7.907
320 H LYS 39 H LYS 39 8.260 3.874 -8.061
321 HA LYS 39 HA LYS 39 9.881 5.175 -9.992
322 1HB LYS 39 2HB LYS 39 10.633 3.738 -7.436
323 2HB LYS 39 1HB LYS 39 11.742 4.722 -8.390
324 1HG LYS 39 2HG LYS 39 9.110 5.878 -7.504
325 2HG LYS 39 1HG LYS 39 10.466 5.821 -6.379
326 1HD LYS 39 2HD LYS 39 11.816 7.202 -7.752
327 2HD LYS 39 1HD LYS 39 10.780 6.962 -9.158
328 1HE LYS 39 2HE LYS 39 9.847 8.346 -6.631
329 2HE LYS 39 1HE LYS 39 10.512 9.209 -8.017
330 1HZ LYS 39 1HZ LYS 39 8.512 9.137 -8.929
331 2HZ LYS 39 2HZ LYS 39 7.905 8.201 -7.649
332 3HZ LYS 39 3HZ LYS 39 8.608 7.446 -8.998
333 H GLY 40 H GLY 40 9.005 1.922 -9.645
334 1HA GLY 40 2HA GLY 40 11.429 0.790 -10.778
335 2HA GLY 40 1HA GLY 40 9.946 -0.076 -10.396
336 H PHE 41 H PHE 41 8.860 2.509 -12.014
337 HA PHE 41 HA PHE 41 8.172 1.098 -14.357
338 1HB PHE 41 2HB PHE 41 6.996 3.128 -13.378
339 2HB PHE 41 1HB PHE 41 8.277 4.107 -14.091
340 HD1 PHE 41 HD1 PHE 41 5.612 1.624 -14.896
341 HD2 PHE 41 HD2 PHE 41 8.267 4.645 -16.407
342 HE1 PHE 41 HE1 PHE 41 4.451 1.550 -17.084
343 HE2 PHE 41 HE2 PHE 41 7.105 4.571 -18.596
344 HZ PHE 41 HZ PHE 41 5.197 3.023 -18.935
345 H ARG 42 H ARG 42 9.142 0.859 -16.280
346 HA ARG 42 HA ARG 42 10.701 0.970 -17.955
347 1HB ARG 42 2HB ARG 42 10.113 3.466 -17.751
348 2HB ARG 42 1HB ARG 42 11.616 3.620 -16.843
349 1HG ARG 42 2HG ARG 42 12.432 4.003 -18.969
350 2HG ARG 42 1HG ARG 42 12.583 2.247 -18.923
351 1HD ARG 42 2HD ARG 42 11.464 2.586 -20.948
352 2HD ARG 42 1HD ARG 42 10.135 2.262 -19.841
353 HE ARG 42 HE ARG 42 9.430 4.457 -20.125
354 1HH1 ARG 42 1HH2 ARG 42 12.690 4.054 -21.236
355 2HH1 ARG 42 2HH2 ARG 42 12.788 5.634 -21.937
356 1HH2 ARG 42 1HH1 ARG 42 9.562 6.528 -21.041
357 2HH2 ARG 42 2HH1 ARG 42 11.021 7.033 -21.826
Start of MODEL 3
1 1H MET 1 1HT MET 1 6.116 -7.368 -5.508
2 2H MET 1 2HT MET 1 7.666 -7.674 -4.883
3 3H MET 1 3HT MET 1 6.903 -8.825 -5.874
4 HA MET 1 HA MET 1 7.607 -6.100 -6.803
5 1HB MET 1 2HB MET 1 9.477 -7.379 -8.021
6 2HB MET 1 1HB MET 1 9.709 -7.090 -6.299
7 1HG MET 1 2HG MET 1 8.284 -9.599 -7.005
8 2HG MET 1 1HG MET 1 9.992 -9.534 -7.438
9 1HE MET 1 1HE MET 1 8.737 -11.220 -3.787
10 2HE MET 1 2HE MET 1 8.600 -11.516 -5.518
11 3HE MET 1 3HE MET 1 7.506 -10.376 -4.737
12 H ILE 2 H ILE 2 5.688 -8.776 -7.062
13 HA ILE 2 HA ILE 2 5.703 -9.226 -9.888
14 HB ILE 2 HB ILE 2 4.856 -10.811 -8.073
15 1HG1 ILE 2 2HG1 ILE 2 3.011 -10.189 -10.407
16 2HG1 ILE 2 1HG1 ILE 2 4.471 -11.173 -10.498
17 1HG2 ILE 2 1HG2 ILE 2 2.784 -10.469 -7.072
18 2HG2 ILE 2 2HG2 ILE 2 2.226 -9.391 -8.348
19 3HG2 ILE 2 3HG2 ILE 2 3.385 -8.815 -7.153
20 1HD1 ILE 2 1HD1 ILE 2 1.888 -11.773 -9.064
21 2HD1 ILE 2 2HD1 ILE 2 3.388 -12.583 -8.611
22 3HD1 ILE 2 3HD1 ILE 2 2.746 -12.763 -10.244
23 H SER 3 H SER 3 3.939 -8.714 -11.349
24 HA SER 3 HA SER 3 2.791 -6.052 -10.787
25 1HB SER 3 2HB SER 3 2.644 -5.786 -13.212
26 2HB SER 3 1HB SER 3 4.289 -6.215 -12.753
27 HG SER 3 HG SER 3 3.866 -8.330 -13.370
28 H ASN 4 H ASN 4 1.678 -8.600 -9.845
29 HA ASN 4 HA ASN 4 -1.004 -8.305 -11.004
30 1HB ASN 4 2HB ASN 4 -0.249 -10.172 -12.242
31 2HB ASN 4 1HB ASN 4 0.588 -10.861 -10.855
32 1HD2 ASN 4 1HD2 ASN 4 -0.735 -11.923 -9.192
33 2HD2 ASN 4 2HD2 ASN 4 -2.332 -12.392 -9.521
34 H ALA 5 H ALA 5 0.594 -10.505 -8.677
35 HA ALA 5 HA ALA 5 -1.545 -10.527 -6.847
36 1HB ALA 5 1HB ALA 5 1.218 -10.916 -5.809
37 2HB ALA 5 2HB ALA 5 0.675 -12.007 -7.084
38 3HB ALA 5 3HB ALA 5 -0.226 -11.900 -5.572
39 H LYS 6 H LYS 6 0.916 -8.175 -7.413
40 HA LYS 6 HA LYS 6 0.983 -6.977 -4.825
41 1HB LYS 6 2HB LYS 6 1.914 -6.286 -7.553
42 2HB LYS 6 1HB LYS 6 1.615 -4.920 -6.478
43 1HG LYS 6 2HG LYS 6 3.180 -7.277 -5.460
44 2HG LYS 6 1HG LYS 6 3.978 -6.084 -6.484
45 1HD LYS 6 2HD LYS 6 3.232 -4.284 -4.936
46 2HD LYS 6 1HD LYS 6 2.516 -5.509 -3.889
47 1HE LYS 6 2HE LYS 6 5.434 -5.569 -4.683
48 2HE LYS 6 1HE LYS 6 4.862 -4.721 -3.245
49 1HZ LYS 6 1HZ LYS 6 4.565 -7.610 -3.849
50 2HZ LYS 6 2HZ LYS 6 3.823 -6.830 -2.535
51 3HZ LYS 6 3HZ LYS 6 5.516 -6.914 -2.630
52 H ILE 7 H ILE 7 -1.088 -6.646 -7.631
53 HA ILE 7 HA ILE 7 -2.385 -4.239 -7.044
54 HB ILE 7 HB ILE 7 -3.524 -6.731 -8.337
55 1HG1 ILE 7 2HG1 ILE 7 -2.492 -4.271 -9.747
56 2HG1 ILE 7 1HG1 ILE 7 -1.388 -5.564 -9.285
57 1HG2 ILE 7 1HG2 ILE 7 -4.439 -3.837 -8.350
58 2HG2 ILE 7 2HG2 ILE 7 -5.309 -5.214 -7.675
59 3HG2 ILE 7 3HG2 ILE 7 -5.078 -5.086 -9.418
60 1HD1 ILE 7 1HD1 ILE 7 -2.963 -7.174 -10.472
61 2HD1 ILE 7 2HD1 ILE 7 -2.090 -6.057 -11.522
62 3HD1 ILE 7 3HD1 ILE 7 -3.783 -5.755 -11.126
63 H ALA 8 H ALA 8 -3.676 -7.509 -6.414
64 HA ALA 8 HA ALA 8 -5.782 -6.736 -4.759
65 1HB ALA 8 1HB ALA 8 -5.787 -8.953 -5.607
66 2HB ALA 8 2HB ALA 8 -5.592 -9.116 -3.863
67 3HB ALA 8 3HB ALA 8 -4.197 -9.297 -4.927
68 H ARG 9 H ARG 9 -2.389 -7.290 -3.997
69 HA ARG 9 HA ARG 9 -2.593 -7.452 -1.197
70 1HB ARG 9 2HB ARG 9 -0.437 -6.764 -3.133
71 2HB ARG 9 1HB ARG 9 -0.190 -6.297 -1.451
72 1HG ARG 9 2HG ARG 9 -1.104 -9.084 -2.148
73 2HG ARG 9 1HG ARG 9 0.607 -8.658 -2.204
74 1HD ARG 9 2HD ARG 9 0.320 -7.752 0.166
75 2HD ARG 9 1HD ARG 9 -1.253 -8.543 0.179
76 HE ARG 9 HE ARG 9 0.855 -10.339 -0.589
77 1HH1 ARG 9 1HH2 ARG 9 -0.711 -8.770 2.074
78 2HH1 ARG 9 2HH2 ARG 9 -0.296 -10.000 3.221
79 1HH2 ARG 9 1HH1 ARG 9 1.399 -11.953 0.913
80 2HH2 ARG 9 2HH1 ARG 9 0.899 -11.799 2.564
81 H ILE 10 H ILE 10 -1.235 -4.613 -2.850
82 HA ILE 10 HA ILE 10 -1.627 -2.793 -0.793
83 HB ILE 10 HB ILE 10 -1.674 -2.210 -3.766
84 1HG1 ILE 10 2HG1 ILE 10 0.692 -2.184 -1.867
85 2HG1 ILE 10 1HG1 ILE 10 0.298 -3.570 -2.883
86 1HG2 ILE 10 1HG2 ILE 10 -2.398 -0.293 -2.448
87 2HG2 ILE 10 2HG2 ILE 10 -0.750 -0.006 -3.004
88 3HG2 ILE 10 3HG2 ILE 10 -1.043 -0.502 -1.337
89 1HD1 ILE 10 1HD1 ILE 10 1.037 -0.778 -3.783
90 2HD1 ILE 10 2HD1 ILE 10 0.352 -1.985 -4.871
91 3HD1 ILE 10 3HD1 ILE 10 1.911 -2.277 -4.098
92 H ASN 11 H ASN 11 -3.832 -3.705 -3.409
93 HA ASN 11 HA ASN 11 -5.793 -1.736 -3.029
94 1HB ASN 11 2HB ASN 11 -5.804 -3.151 -4.991
95 2HB ASN 11 1HB ASN 11 -6.051 -4.589 -4.003
96 1HD2 ASN 11 1HD2 ASN 11 -8.168 -5.250 -4.424
97 2HD2 ASN 11 2HD2 ASN 11 -9.522 -4.225 -4.390
98 H GLU 12 H GLU 12 -5.911 -5.119 -1.868
99 HA GLU 12 HA GLU 12 -8.146 -4.797 -0.206
100 1HB GLU 12 2HB GLU 12 -6.824 -6.945 -0.982
101 2HB GLU 12 1HB GLU 12 -5.978 -6.719 0.548
102 1HG GLU 12 2HG GLU 12 -8.122 -6.728 1.753
103 2HG GLU 12 1HG GLU 12 -8.988 -6.911 0.230
104 H LEU 13 H LEU 13 -4.688 -4.404 0.472
105 HA LEU 13 HA LEU 13 -4.850 -4.042 3.256
106 1HB LEU 13 2HB LEU 13 -2.779 -4.261 1.668
107 2HB LEU 13 1HB LEU 13 -2.885 -2.504 1.581
108 HG LEU 13 HG LEU 13 -2.816 -4.018 4.206
109 1HD1 LEU 13 1HD1 LEU 13 -0.554 -2.842 2.564
110 2HD1 LEU 13 2HD1 LEU 13 -0.731 -4.512 3.104
111 3HD1 LEU 13 3HD1 LEU 13 -0.407 -3.238 4.277
112 1HD2 LEU 13 1HD2 LEU 13 -3.505 -1.912 4.814
113 2HD2 LEU 13 2HD2 LEU 13 -2.868 -1.168 3.348
114 3HD2 LEU 13 3HD2 LEU 13 -1.784 -1.559 4.680
115 H ALA 14 H ALA 14 -4.959 -1.665 0.608
116 HA ALA 14 HA ALA 14 -5.177 0.659 2.141
117 1HB ALA 14 1HB ALA 14 -4.816 0.633 -0.308
118 2HB ALA 14 2HB ALA 14 -6.153 1.687 0.151
119 3HB ALA 14 3HB ALA 14 -6.481 0.095 -0.534
120 H ALA 15 H ALA 15 -7.700 -1.547 0.973
121 HA ALA 15 HA ALA 15 -9.928 -0.074 1.883
122 1HB ALA 15 1HB ALA 15 -9.808 -3.085 1.709
123 2HB ALA 15 2HB ALA 15 -9.902 -2.057 0.277
124 3HB ALA 15 3HB ALA 15 -11.203 -2.031 1.468
125 H LYS 16 H LYS 16 -7.812 -2.378 3.496
126 HA LYS 16 HA LYS 16 -9.390 -2.851 5.789
127 1HB LYS 16 2HB LYS 16 -6.379 -2.887 5.447
128 2HB LYS 16 1HB LYS 16 -7.230 -3.487 6.870
129 1HG LYS 16 2HG LYS 16 -8.131 -4.497 4.208
130 2HG LYS 16 1HG LYS 16 -6.592 -5.097 4.822
131 1HD LYS 16 2HD LYS 16 -9.118 -5.098 6.489
132 2HD LYS 16 1HD LYS 16 -8.657 -6.459 5.466
133 1HE LYS 16 2HE LYS 16 -6.317 -5.928 6.839
134 2HE LYS 16 1HE LYS 16 -7.555 -5.610 8.054
135 1HZ LYS 16 1HZ LYS 16 -7.123 -8.098 6.506
136 2HZ LYS 16 2HZ LYS 16 -8.551 -7.798 7.377
137 3HZ LYS 16 3HZ LYS 16 -7.061 -7.892 8.188
138 H ALA 17 H ALA 17 -6.529 -0.754 5.487
139 HA ALA 17 HA ALA 17 -6.919 0.637 7.910
140 1HB ALA 17 1HB ALA 17 -4.804 1.088 7.221
141 2HB ALA 17 2HB ALA 17 -5.554 2.424 6.350
142 3HB ALA 17 3HB ALA 17 -5.216 0.910 5.515
143 H LYS 18 H LYS 18 -8.464 0.907 4.826
144 HA LYS 18 HA LYS 18 -9.272 3.618 4.925
145 1HB LYS 18 2HB LYS 18 -9.522 2.045 2.949
146 2HB LYS 18 1HB LYS 18 -10.903 1.337 3.782
147 1HG LYS 18 2HG LYS 18 -11.955 3.598 3.883
148 2HG LYS 18 1HG LYS 18 -10.604 4.237 2.947
149 1HD LYS 18 2HD LYS 18 -12.321 1.937 1.982
150 2HD LYS 18 1HD LYS 18 -12.681 3.620 1.600
151 1HE LYS 18 2HE LYS 18 -10.160 3.680 0.831
152 2HE LYS 18 1HE LYS 18 -10.362 1.933 0.713
153 1HZ LYS 18 1HZ LYS 18 -12.453 3.596 -0.456
154 2HZ LYS 18 2HZ LYS 18 -11.815 2.115 -0.991
155 3HZ LYS 18 3HZ LYS 18 -10.963 3.559 -1.264
156 H ALA 19 H ALA 19 -11.341 0.794 5.585
157 HA ALA 19 HA ALA 19 -13.080 2.368 7.293
158 1HB ALA 19 1HB ALA 19 -14.330 0.246 7.541
159 2HB ALA 19 2HB ALA 19 -13.060 -0.594 6.649
160 3HB ALA 19 3HB ALA 19 -14.036 0.636 5.846
161 H GLY 20 H GLY 20 -10.177 0.743 7.687
162 1HA GLY 20 2HA GLY 20 -10.678 0.024 10.499
163 2HA GLY 20 1HA GLY 20 -9.303 -0.493 9.532
164 H VAL 21 H VAL 21 -9.867 2.736 8.931
165 HA VAL 21 HA VAL 21 -8.862 4.695 9.573
166 HB VAL 21 HB VAL 21 -8.063 3.548 12.223
167 1HG1 VAL 21 1HG1 VAL 21 -8.647 5.760 12.992
168 2HG1 VAL 21 2HG1 VAL 21 -9.432 6.143 11.459
169 3HG1 VAL 21 3HG1 VAL 21 -7.681 5.948 11.529
170 1HG2 VAL 21 1HG2 VAL 21 -10.859 3.853 11.163
171 2HG2 VAL 21 2HG2 VAL 21 -10.537 4.203 12.861
172 3HG2 VAL 21 3HG2 VAL 21 -10.196 2.600 12.212
173 H ILE 22 H ILE 22 -7.139 4.739 8.220
174 HA ILE 22 HA ILE 22 -4.867 3.104 8.310
175 HB ILE 22 HB ILE 22 -5.454 4.495 6.371
176 1HG1 ILE 22 2HG1 ILE 22 -2.839 5.679 7.099
177 2HG1 ILE 22 1HG1 ILE 22 -2.938 3.928 7.284
178 1HG2 ILE 22 1HG2 ILE 22 -5.225 6.879 6.385
179 2HG2 ILE 22 2HG2 ILE 22 -4.471 6.864 7.978
180 3HG2 ILE 22 3HG2 ILE 22 -6.182 6.468 7.808
181 1HD1 ILE 22 1HD1 ILE 22 -2.180 4.610 5.006
182 2HD1 ILE 22 2HD1 ILE 22 -3.723 5.432 4.772
183 3HD1 ILE 22 3HD1 ILE 22 -3.678 3.680 4.975
184 H THR 23 H THR 23 -2.849 3.319 9.232
185 HA THR 23 HA THR 23 -2.677 5.233 11.480
186 HB THR 23 HB THR 23 -1.396 3.653 12.659
187 HG1 THR 23 HG1 THR 23 -0.699 1.704 11.417
188 1HG2 THR 23 1HG2 THR 23 -3.182 1.845 11.023
189 2HG2 THR 23 2HG2 THR 23 -3.828 2.986 12.202
190 3HG2 THR 23 3HG2 THR 23 -2.749 1.694 12.725
191 H GLU 24 H GLU 24 -0.605 6.178 11.941
192 HA GLU 24 HA GLU 24 0.677 7.381 9.789
193 1HB GLU 24 2HB GLU 24 1.704 6.808 12.580
194 2HB GLU 24 1HB GLU 24 2.535 7.848 11.423
195 1HG GLU 24 2HG GLU 24 0.590 9.324 11.298
196 2HG GLU 24 1HG GLU 24 -0.315 8.260 12.372
197 H GLU 25 H GLU 25 1.709 4.544 11.673
198 HA GLU 25 HA GLU 25 4.079 3.998 10.256
199 1HB GLU 25 2HB GLU 25 2.244 2.017 11.632
200 2HB GLU 25 1HB GLU 25 3.946 1.769 11.239
201 1HG GLU 25 2HG GLU 25 2.863 3.896 13.113
202 2HG GLU 25 1HG GLU 25 3.657 2.404 13.610
203 H GLU 26 H GLU 26 0.743 2.918 9.760
204 HA GLU 26 HA GLU 26 1.260 1.108 7.650
205 1HB GLU 26 2HB GLU 26 -0.868 1.176 8.925
206 2HB GLU 26 1HB GLU 26 -1.248 2.725 8.176
207 1HG GLU 26 2HG GLU 26 -2.372 0.879 6.991
208 2HG GLU 26 1HG GLU 26 -1.193 1.670 5.948
209 H LYS 27 H LYS 27 0.329 4.545 7.648
210 HA LYS 27 HA LYS 27 0.082 4.969 4.917
211 1HB LYS 27 2HB LYS 27 -0.395 6.628 6.750
212 2HB LYS 27 1HB LYS 27 1.342 6.911 6.866
213 1HG LYS 27 2HG LYS 27 1.370 7.529 4.448
214 2HG LYS 27 1HG LYS 27 -0.382 7.341 4.407
215 1HD LYS 27 2HD LYS 27 0.797 9.117 6.511
216 2HD LYS 27 1HD LYS 27 0.727 9.720 4.855
217 1HE LYS 27 2HE LYS 27 -1.671 8.542 6.281
218 2HE LYS 27 1HE LYS 27 -1.303 10.267 6.280
219 1HZ LYS 27 1HZ LYS 27 -1.134 9.284 3.652
220 2HZ LYS 27 2HZ LYS 27 -2.202 10.445 4.284
221 3HZ LYS 27 3HZ LYS 27 -2.617 8.798 4.314
222 H ALA 28 H ALA 28 3.015 5.159 6.925
223 HA ALA 28 HA ALA 28 4.810 5.867 4.868
224 1HB ALA 28 1HB ALA 28 5.319 4.291 7.406
225 2HB ALA 28 2HB ALA 28 5.398 6.045 7.242
226 3HB ALA 28 3HB ALA 28 6.563 5.027 6.395
227 H GLU 29 H GLU 29 3.653 2.741 6.034
228 HA GLU 29 HA GLU 29 5.390 1.045 4.638
229 1HB GLU 29 2HB GLU 29 3.634 0.444 6.404
230 2HB GLU 29 1HB GLU 29 2.463 0.464 5.088
231 1HG GLU 29 2HG GLU 29 4.243 -1.094 3.901
232 2HG GLU 29 1HG GLU 29 4.749 -1.414 5.560
233 H GLN 30 H GLN 30 2.091 2.032 3.695
234 HA GLN 30 HA GLN 30 2.009 0.956 1.151
235 1HB GLN 30 2HB GLN 30 0.833 3.672 1.683
236 2HB GLN 30 1HB GLN 30 0.169 2.341 0.736
237 1HG GLN 30 2HG GLN 30 0.267 1.095 3.095
238 2HG GLN 30 1HG GLN 30 0.171 2.748 3.696
239 1HE2 GLN 30 1HE2 GLN 30 -1.709 0.138 2.566
240 2HE2 GLN 30 2HE2 GLN 30 -3.155 0.988 2.306
241 H GLN 31 H GLN 31 3.520 3.953 2.224
242 HA GLN 31 HA GLN 31 4.006 5.167 -0.249
243 1HB GLN 31 2HB GLN 31 4.393 6.137 2.070
244 2HB GLN 31 1HB GLN 31 5.910 5.238 2.094
245 1HG GLN 31 2HG GLN 31 6.548 6.367 -0.055
246 2HG GLN 31 1HG GLN 31 5.095 7.356 0.086
247 1HE2 GLN 31 1HE2 GLN 31 7.643 6.339 2.446
248 2HE2 GLN 31 2HE2 GLN 31 7.944 7.912 3.008
249 H LYS 32 H LYS 32 6.116 2.965 1.610
250 HA LYS 32 HA LYS 32 8.228 2.856 -0.232
251 1HB LYS 32 2HB LYS 32 8.401 2.002 2.068
252 2HB LYS 32 1HB LYS 32 7.277 0.701 1.673
253 1HG LYS 32 2HG LYS 32 8.810 -0.303 0.146
254 2HG LYS 32 1HG LYS 32 9.843 1.128 0.127
255 1HD LYS 32 2HD LYS 32 10.512 0.751 2.427
256 2HD LYS 32 1HD LYS 32 9.355 -0.571 2.591
257 1HE LYS 32 2HE LYS 32 10.574 -1.958 1.078
258 2HE LYS 32 1HE LYS 32 11.562 -0.608 0.523
259 1HZ LYS 32 1HZ LYS 32 11.737 -2.143 3.008
260 2HZ LYS 32 2HZ LYS 32 12.163 -0.499 3.056
261 3HZ LYS 32 3HZ LYS 32 12.976 -1.559 2.007
262 H LEU 33 H LEU 33 5.461 0.639 0.167
263 HA LEU 33 HA LEU 33 6.041 -1.104 -1.940
264 1HB LEU 33 2HB LEU 33 3.308 -0.236 -0.958
265 2HB LEU 33 1HB LEU 33 3.661 -1.693 -1.886
266 HG LEU 33 HG LEU 33 4.863 -1.073 0.831
267 1HD1 LEU 33 1HD1 LEU 33 2.449 -1.428 1.036
268 2HD1 LEU 33 2HD1 LEU 33 3.312 -2.834 1.657
269 3HD1 LEU 33 3HD1 LEU 33 2.560 -2.894 0.063
270 1HD2 LEU 33 1HD2 LEU 33 4.954 -3.444 -1.047
271 2HD2 LEU 33 2HD2 LEU 33 5.305 -3.611 0.673
272 3HD2 LEU 33 3HD2 LEU 33 6.306 -2.565 -0.332
273 H ARG 34 H ARG 34 4.303 1.976 -1.925
274 HA ARG 34 HA ARG 34 3.492 1.873 -4.664
275 1HB ARG 34 2HB ARG 34 3.615 4.004 -2.555
276 2HB ARG 34 1HB ARG 34 3.295 4.446 -4.232
277 1HG ARG 34 2HG ARG 34 1.311 3.152 -4.315
278 2HG ARG 34 1HG ARG 34 1.736 2.255 -2.857
279 1HD ARG 34 2HD ARG 34 -0.036 4.129 -2.636
280 2HD ARG 34 1HD ARG 34 1.260 4.082 -1.445
281 HE ARG 34 HE ARG 34 2.128 5.732 -3.525
282 1HH1 ARG 34 1HH2 ARG 34 -0.418 5.604 -1.177
283 2HH1 ARG 34 2HH2 ARG 34 -0.564 7.325 -1.045
284 1HH2 ARG 34 1HH1 ARG 34 1.941 7.981 -3.347
285 2HH2 ARG 34 2HH1 ARG 34 0.772 8.670 -2.271
286 H GLN 35 H GLN 35 6.313 3.124 -2.969
287 HA GLN 35 HA GLN 35 7.407 4.701 -5.018
288 1HB GLN 35 2HB GLN 35 8.128 4.412 -2.528
289 2HB GLN 35 1HB GLN 35 9.131 3.101 -3.146
290 1HG GLN 35 2HG GLN 35 10.624 4.840 -3.401
291 2HG GLN 35 1HG GLN 35 9.792 4.965 -4.949
292 1HE2 GLN 35 1HE2 GLN 35 10.926 6.932 -2.611
293 2HE2 GLN 35 2HE2 GLN 35 9.754 8.159 -2.639
294 H GLU 36 H GLU 36 8.001 1.276 -4.209
295 HA GLU 36 HA GLU 36 9.795 0.774 -6.344
296 1HB GLU 36 2HB GLU 36 9.428 -0.653 -4.272
297 2HB GLU 36 1HB GLU 36 7.966 -1.256 -5.052
298 1HG GLU 36 2HG GLU 36 9.353 -1.960 -7.011
299 2HG GLU 36 1HG GLU 36 10.794 -1.458 -6.128
300 H TYR 37 H TYR 37 6.289 0.351 -6.006
301 HA TYR 37 HA TYR 37 5.721 -0.912 -8.419
302 1HB TYR 37 2HB TYR 37 4.092 -0.471 -6.562
303 2HB TYR 37 1HB TYR 37 4.012 1.208 -7.096
304 HD1 TYR 37 HD1 TYR 37 3.126 -2.268 -7.894
305 HD2 TYR 37 HD2 TYR 37 3.006 1.805 -9.259
306 HE1 TYR 37 HE1 TYR 37 1.463 -2.895 -9.623
307 HE2 TYR 37 HE2 TYR 37 1.344 1.176 -10.987
308 HH TYR 37 HH TYR 37 -0.121 -0.461 -11.620
309 H LEU 38 H LEU 38 5.826 2.583 -7.729
310 HA LEU 38 HA LEU 38 5.209 3.502 -10.300
311 1HB LEU 38 2HB LEU 38 6.427 4.621 -7.859
312 2HB LEU 38 1HB LEU 38 6.915 5.425 -9.349
313 HG LEU 38 HG LEU 38 4.837 6.378 -8.251
314 1HD1 LEU 38 1HD1 LEU 38 4.771 7.119 -10.393
315 2HD1 LEU 38 2HD1 LEU 38 3.515 5.904 -10.614
316 3HD1 LEU 38 3HD1 LEU 38 5.182 5.538 -11.054
317 1HD2 LEU 38 1HD2 LEU 38 3.366 4.011 -9.385
318 2HD2 LEU 38 2HD2 LEU 38 2.843 5.159 -8.154
319 3HD2 LEU 38 3HD2 LEU 38 4.033 3.920 -7.755
320 H LYS 39 H LYS 39 8.340 2.703 -8.841
321 HA LYS 39 HA LYS 39 9.939 3.491 -11.044
322 1HB LYS 39 2HB LYS 39 10.777 3.079 -8.718
323 2HB LYS 39 1HB LYS 39 10.556 1.351 -8.993
324 1HG LYS 39 2HG LYS 39 12.211 1.292 -10.687
325 2HG LYS 39 1HG LYS 39 12.202 3.046 -10.874
326 1HD LYS 39 2HD LYS 39 13.182 3.320 -8.649
327 2HD LYS 39 1HD LYS 39 13.118 1.578 -8.383
328 1HE LYS 39 2HE LYS 39 14.610 2.778 -10.720
329 2HE LYS 39 1HE LYS 39 15.374 2.540 -9.148
330 1HZ LYS 39 1HZ LYS 39 15.542 0.680 -10.884
331 2HZ LYS 39 2HZ LYS 39 13.933 0.332 -10.468
332 3HZ LYS 39 3HZ LYS 39 15.153 0.257 -9.289
333 H GLY 40 H GLY 40 8.137 0.592 -10.304
334 1HA GLY 40 2HA GLY 40 9.348 -0.928 -12.483
335 2HA GLY 40 1HA GLY 40 8.117 -1.502 -11.363
336 H PHE 41 H PHE 41 7.114 1.471 -12.352
337 HA PHE 41 HA PHE 41 4.967 0.457 -13.903
338 1HB PHE 41 2HB PHE 41 5.034 2.609 -12.513
339 2HB PHE 41 1HB PHE 41 5.858 3.340 -13.889
340 HD1 PHE 41 HD1 PHE 41 4.648 4.024 -15.821
341 HD2 PHE 41 HD2 PHE 41 2.760 1.522 -12.880
342 HE1 PHE 41 HE1 PHE 41 2.466 4.332 -16.957
343 HE2 PHE 41 HE2 PHE 41 0.579 1.832 -14.018
344 HZ PHE 41 HZ PHE 41 0.432 3.236 -16.056
345 H ARG 42 H ARG 42 7.193 2.985 -15.054
346 HA ARG 42 HA ARG 42 6.783 2.384 -17.782
347 1HB ARG 42 2HB ARG 42 7.580 4.576 -16.797
348 2HB ARG 42 1HB ARG 42 9.171 3.836 -16.630
349 1HG ARG 42 2HG ARG 42 8.615 3.201 -19.217
350 2HG ARG 42 1HG ARG 42 7.740 4.725 -19.075
351 1HD ARG 42 2HD ARG 42 10.675 4.255 -18.492
352 2HD ARG 42 1HD ARG 42 9.999 5.207 -19.811
353 HE ARG 42 HE ARG 42 8.993 6.353 -17.510
354 1HH1 ARG 42 1HH2 ARG 42 12.122 5.614 -18.803
355 2HH1 ARG 42 2HH2 ARG 42 12.907 6.950 -18.029
356 1HH2 ARG 42 1HH1 ARG 42 10.019 8.104 -16.497
357 2HH2 ARG 42 2HH1 ARG 42 11.716 8.360 -16.727
Start of MODEL 4
1 1H MET 1 1HT MET 1 -9.802 -7.485 -14.882
2 2H MET 1 2HT MET 1 -11.000 -8.151 -13.878
3 3H MET 1 3HT MET 1 -9.876 -9.163 -14.651
4 HA MET 1 HA MET 1 -9.588 -7.552 -12.247
5 1HB MET 1 2HB MET 1 -7.922 -9.919 -13.062
6 2HB MET 1 1HB MET 1 -8.477 -9.448 -11.456
7 1HG MET 1 2HG MET 1 -10.861 -9.912 -12.381
8 2HG MET 1 1HG MET 1 -10.029 -10.794 -13.663
9 1HE MET 1 1HE MET 1 -10.828 -13.975 -11.946
10 2HE MET 1 2HE MET 1 -10.468 -13.129 -13.450
11 3HE MET 1 3HE MET 1 -11.839 -12.621 -12.467
12 H ILE 2 H ILE 2 -6.777 -8.323 -12.030
13 HA ILE 2 HA ILE 2 -5.509 -6.570 -14.041
14 HB ILE 2 HB ILE 2 -5.928 -5.294 -11.933
15 1HG1 ILE 2 2HG1 ILE 2 -2.977 -5.661 -11.933
16 2HG1 ILE 2 1HG1 ILE 2 -3.702 -5.303 -13.502
17 1HG2 ILE 2 1HG2 ILE 2 -3.901 -7.140 -10.655
18 2HG2 ILE 2 2HG2 ILE 2 -5.636 -7.406 -10.488
19 3HG2 ILE 2 3HG2 ILE 2 -4.909 -5.920 -9.878
20 1HD1 ILE 2 1HD1 ILE 2 -4.654 -3.265 -12.709
21 2HD1 ILE 2 2HD1 ILE 2 -2.995 -3.283 -12.107
22 3HD1 ILE 2 3HD1 ILE 2 -4.328 -3.685 -11.026
23 H SER 3 H SER 3 -5.495 -9.384 -12.109
24 HA SER 3 HA SER 3 -4.168 -11.260 -12.167
25 1HB SER 3 2HB SER 3 -2.269 -9.910 -14.070
26 2HB SER 3 1HB SER 3 -2.646 -11.621 -13.912
27 HG SER 3 HG SER 3 -3.702 -10.754 -15.711
28 H ASN 4 H ASN 4 -2.378 -8.195 -12.214
29 HA ASN 4 HA ASN 4 -0.120 -9.078 -10.774
30 1HB ASN 4 2HB ASN 4 -1.175 -6.273 -10.548
31 2HB ASN 4 1HB ASN 4 0.494 -6.827 -10.616
32 1HD2 ASN 4 1HD2 ASN 4 -0.184 -8.680 -12.947
33 2HD2 ASN 4 2HD2 ASN 4 -0.307 -7.644 -14.284
34 H ALA 5 H ALA 5 -0.256 -10.034 -8.845
35 HA ALA 5 HA ALA 5 -2.334 -9.667 -6.962
36 1HB ALA 5 1HB ALA 5 0.470 -10.627 -6.352
37 2HB ALA 5 2HB ALA 5 -0.755 -11.642 -7.112
38 3HB ALA 5 3HB ALA 5 -1.015 -11.017 -5.484
39 H LYS 6 H LYS 6 0.098 -7.592 -7.864
40 HA LYS 6 HA LYS 6 0.880 -6.451 -5.381
41 1HB LYS 6 2HB LYS 6 0.864 -5.335 -8.196
42 2HB LYS 6 1HB LYS 6 1.597 -4.521 -6.813
43 1HG LYS 6 2HG LYS 6 3.463 -5.669 -7.480
44 2HG LYS 6 1HG LYS 6 2.723 -6.978 -6.558
45 1HD LYS 6 2HD LYS 6 1.575 -7.724 -8.674
46 2HD LYS 6 1HD LYS 6 2.511 -6.513 -9.548
47 1HE LYS 6 2HE LYS 6 3.958 -8.451 -7.772
48 2HE LYS 6 1HE LYS 6 3.399 -8.998 -9.352
49 1HZ LYS 6 1HZ LYS 6 4.765 -7.546 -10.444
50 2HZ LYS 6 2HZ LYS 6 5.724 -7.903 -9.090
51 3HZ LYS 6 3HZ LYS 6 4.844 -6.451 -9.152
52 H ILE 7 H ILE 7 -1.302 -5.165 -7.906
53 HA ILE 7 HA ILE 7 -2.327 -3.037 -6.420
54 HB ILE 7 HB ILE 7 -3.428 -4.637 -8.724
55 1HG1 ILE 7 2HG1 ILE 7 -3.209 -2.200 -9.683
56 2HG1 ILE 7 1HG1 ILE 7 -2.166 -1.936 -8.286
57 1HG2 ILE 7 1HG2 ILE 7 -5.459 -3.995 -7.726
58 2HG2 ILE 7 2HG2 ILE 7 -5.123 -2.640 -8.803
59 3HG2 ILE 7 3HG2 ILE 7 -4.780 -2.502 -7.079
60 1HD1 ILE 7 1HD1 ILE 7 -0.636 -3.628 -8.984
61 2HD1 ILE 7 2HD1 ILE 7 -1.005 -2.702 -10.438
62 3HD1 ILE 7 3HD1 ILE 7 -1.772 -4.268 -10.174
63 H ALA 8 H ALA 8 -3.685 -6.314 -6.845
64 HA ALA 8 HA ALA 8 -5.950 -6.013 -5.244
65 1HB ALA 8 1HB ALA 8 -5.899 -8.463 -5.003
66 2HB ALA 8 2HB ALA 8 -4.244 -8.489 -5.610
67 3HB ALA 8 3HB ALA 8 -5.561 -7.979 -6.665
68 H ARG 9 H ARG 9 -2.651 -6.968 -4.337
69 HA ARG 9 HA ARG 9 -3.153 -7.500 -1.614
70 1HB ARG 9 2HB ARG 9 -1.087 -8.228 -2.644
71 2HB ARG 9 1HB ARG 9 -0.639 -6.567 -3.021
72 1HG ARG 9 2HG ARG 9 0.560 -7.376 -1.020
73 2HG ARG 9 1HG ARG 9 -0.517 -6.040 -0.614
74 1HD ARG 9 2HD ARG 9 -0.558 -8.069 0.960
75 2HD ARG 9 1HD ARG 9 -2.115 -7.487 0.381
76 HE ARG 9 HE ARG 9 -2.357 -9.461 -0.841
77 1HH1 ARG 9 1HH2 ARG 9 0.880 -9.120 0.360
78 2HH1 ARG 9 2HH2 ARG 9 1.343 -10.739 -0.047
79 1HH2 ARG 9 1HH1 ARG 9 -1.750 -11.583 -1.361
80 2HH2 ARG 9 2HH1 ARG 9 -0.144 -12.131 -1.013
81 H ILE 10 H ILE 10 -1.434 -4.648 -2.897
82 HA ILE 10 HA ILE 10 -1.554 -3.077 -0.620
83 HB ILE 10 HB ILE 10 -1.500 -2.297 -3.541
84 1HG1 ILE 10 2HG1 ILE 10 0.700 -2.062 -1.485
85 2HG1 ILE 10 1HG1 ILE 10 0.412 -3.586 -2.324
86 1HG2 ILE 10 1HG2 ILE 10 -1.336 -0.603 -1.040
87 2HG2 ILE 10 2HG2 ILE 10 -2.364 -0.362 -2.452
88 3HG2 ILE 10 3HG2 ILE 10 -0.628 -0.081 -2.570
89 1HD1 ILE 10 1HD1 ILE 10 0.910 -0.928 -3.700
90 2HD1 ILE 10 2HD1 ILE 10 0.723 -2.495 -4.490
91 3HD1 ILE 10 3HD1 ILE 10 2.125 -2.186 -3.468
92 H ASN 11 H ASN 11 -3.924 -3.327 -3.250
93 HA ASN 11 HA ASN 11 -5.660 -1.274 -2.451
94 1HB ASN 11 2HB ASN 11 -5.929 -2.298 -4.610
95 2HB ASN 11 1HB ASN 11 -6.202 -3.881 -3.884
96 1HD2 ASN 11 1HD2 ASN 11 -8.377 -4.399 -4.073
97 2HD2 ASN 11 2HD2 ASN 11 -9.661 -3.315 -3.835
98 H GLU 12 H GLU 12 -5.782 -4.755 -1.688
99 HA GLU 12 HA GLU 12 -8.027 -4.683 -0.010
100 1HB GLU 12 2HB GLU 12 -7.137 -6.781 -0.838
101 2HB GLU 12 1HB GLU 12 -5.617 -6.519 0.012
102 1HG GLU 12 2HG GLU 12 -8.190 -6.527 1.564
103 2HG GLU 12 1HG GLU 12 -7.471 -8.060 1.080
104 H LEU 13 H LEU 13 -4.569 -4.346 0.740
105 HA LEU 13 HA LEU 13 -4.789 -4.132 3.533
106 1HB LEU 13 2HB LEU 13 -2.705 -4.245 1.846
107 2HB LEU 13 1HB LEU 13 -2.720 -2.507 2.135
108 HG LEU 13 HG LEU 13 -2.663 -4.633 4.301
109 1HD1 LEU 13 1HD1 LEU 13 -0.496 -2.750 3.316
110 2HD1 LEU 13 2HD1 LEU 13 -0.548 -4.489 3.020
111 3HD1 LEU 13 3HD1 LEU 13 -0.346 -3.879 4.663
112 1HD2 LEU 13 1HD2 LEU 13 -3.682 -2.774 5.297
113 2HD2 LEU 13 2HD2 LEU 13 -2.787 -1.623 4.303
114 3HD2 LEU 13 3HD2 LEU 13 -1.977 -2.468 5.622
115 H ALA 14 H ALA 14 -4.644 -1.573 1.057
116 HA ALA 14 HA ALA 14 -4.808 0.652 2.704
117 1HB ALA 14 1HB ALA 14 -5.861 1.782 0.716
118 2HB ALA 14 2HB ALA 14 -5.913 0.206 -0.074
119 3HB ALA 14 3HB ALA 14 -4.361 0.923 0.361
120 H ALA 15 H ALA 15 -7.553 -0.944 1.055
121 HA ALA 15 HA ALA 15 -9.566 0.578 2.308
122 1HB ALA 15 1HB ALA 15 -9.593 -2.149 1.015
123 2HB ALA 15 2HB ALA 15 -10.143 -0.616 0.338
124 3HB ALA 15 3HB ALA 15 -11.052 -1.380 1.643
125 H LYS 16 H LYS 16 -7.995 -2.437 3.260
126 HA LYS 16 HA LYS 16 -9.736 -3.139 5.369
127 1HB LYS 16 2HB LYS 16 -7.980 -4.636 4.366
128 2HB LYS 16 1HB LYS 16 -6.761 -3.698 5.231
129 1HG LYS 16 2HG LYS 16 -8.220 -4.186 7.337
130 2HG LYS 16 1HG LYS 16 -8.932 -5.464 6.352
131 1HD LYS 16 2HD LYS 16 -6.770 -6.506 6.026
132 2HD LYS 16 1HD LYS 16 -5.951 -5.156 6.810
133 1HE LYS 16 2HE LYS 16 -6.158 -7.017 8.386
134 2HE LYS 16 1HE LYS 16 -7.174 -5.677 8.918
135 1HZ LYS 16 1HZ LYS 16 -8.198 -7.897 7.247
136 2HZ LYS 16 2HZ LYS 16 -9.093 -6.737 8.107
137 3HZ LYS 16 3HZ LYS 16 -8.232 -7.940 8.942
138 H ALA 17 H ALA 17 -6.539 -1.570 5.504
139 HA ALA 17 HA ALA 17 -6.606 -0.858 8.208
140 1HB ALA 17 1HB ALA 17 -5.305 0.927 6.177
141 2HB ALA 17 2HB ALA 17 -4.682 -0.703 6.432
142 3HB ALA 17 3HB ALA 17 -4.725 0.443 7.771
143 H LYS 18 H LYS 18 -8.173 0.516 5.418
144 HA LYS 18 HA LYS 18 -8.710 3.104 6.458
145 1HB LYS 18 2HB LYS 18 -9.098 2.050 4.048
146 2HB LYS 18 1HB LYS 18 -10.711 1.751 4.692
147 1HG LYS 18 2HG LYS 18 -9.308 4.441 4.612
148 2HG LYS 18 1HG LYS 18 -10.629 3.934 3.559
149 1HD LYS 18 2HD LYS 18 -11.976 3.533 5.714
150 2HD LYS 18 1HD LYS 18 -10.710 4.445 6.538
151 1HE LYS 18 2HE LYS 18 -11.101 6.300 4.843
152 2HE LYS 18 1HE LYS 18 -12.531 5.410 4.321
153 1HZ LYS 18 1HZ LYS 18 -13.414 6.767 5.916
154 2HZ LYS 18 2HZ LYS 18 -12.010 6.764 6.873
155 3HZ LYS 18 3HZ LYS 18 -13.037 5.411 6.862
156 H ALA 19 H ALA 19 -10.927 0.313 6.200
157 HA ALA 19 HA ALA 19 -12.789 1.422 8.078
158 1HB ALA 19 1HB ALA 19 -12.651 -1.480 7.279
159 2HB ALA 19 2HB ALA 19 -13.257 -0.250 6.173
160 3HB ALA 19 3HB ALA 19 -14.068 -0.525 7.715
161 H GLY 20 H GLY 20 -9.777 0.217 8.554
162 1HA GLY 20 2HA GLY 20 -10.410 -1.199 11.058
163 2HA GLY 20 1HA GLY 20 -8.852 -1.194 10.239
164 H VAL 21 H VAL 21 -7.670 0.892 10.198
165 HA VAL 21 HA VAL 21 -8.383 2.892 12.177
166 HB VAL 21 HB VAL 21 -6.093 2.577 13.319
167 1HG1 VAL 21 1HG1 VAL 21 -7.066 1.259 15.009
168 2HG1 VAL 21 2HG1 VAL 21 -7.991 0.300 13.855
169 3HG1 VAL 21 3HG1 VAL 21 -8.464 1.964 14.197
170 1HG2 VAL 21 1HG2 VAL 21 -5.257 0.936 11.623
171 2HG2 VAL 21 2HG2 VAL 21 -6.465 -0.216 12.190
172 3HG2 VAL 21 3HG2 VAL 21 -5.177 0.317 13.272
173 H ILE 22 H ILE 22 -6.041 1.579 9.907
174 HA ILE 22 HA ILE 22 -4.369 2.542 8.664
175 HB ILE 22 HB ILE 22 -6.190 3.009 7.212
176 1HG1 ILE 22 2HG1 ILE 22 -5.482 5.106 6.155
177 2HG1 ILE 22 1HG1 ILE 22 -4.642 5.586 7.624
178 1HG2 ILE 22 1HG2 ILE 22 -7.757 3.968 8.846
179 2HG2 ILE 22 2HG2 ILE 22 -7.605 5.021 7.442
180 3HG2 ILE 22 3HG2 ILE 22 -6.778 5.431 8.942
181 1HD1 ILE 22 1HD1 ILE 22 -3.234 4.506 5.745
182 2HD1 ILE 22 2HD1 ILE 22 -3.994 2.990 6.226
183 3HD1 ILE 22 3HD1 ILE 22 -3.011 3.889 7.382
184 H THR 23 H THR 23 -2.736 3.150 9.947
185 HA THR 23 HA THR 23 -2.799 5.864 11.116
186 HB THR 23 HB THR 23 -1.019 5.087 12.611
187 HG1 THR 23 HG1 THR 23 -0.044 3.244 12.289
188 1HG2 THR 23 1HG2 THR 23 -3.115 4.719 13.587
189 2HG2 THR 23 2HG2 THR 23 -2.381 3.118 13.663
190 3HG2 THR 23 3HG2 THR 23 -3.560 3.489 12.405
191 H GLU 24 H GLU 24 -0.752 7.069 11.079
192 HA GLU 24 HA GLU 24 0.263 7.464 8.523
193 1HB GLU 24 2HB GLU 24 0.491 8.861 10.766
194 2HB GLU 24 1HB GLU 24 2.031 8.011 10.879
195 1HG GLU 24 2HG GLU 24 1.111 9.611 8.468
196 2HG GLU 24 1HG GLU 24 2.232 10.197 9.694
197 H GLU 25 H GLU 25 1.539 5.462 11.156
198 HA GLU 25 HA GLU 25 3.981 4.705 10.049
199 1HB GLU 25 2HB GLU 25 3.120 4.189 12.374
200 2HB GLU 25 1HB GLU 25 2.174 2.888 11.652
201 1HG GLU 25 2HG GLU 25 4.357 2.033 10.647
202 2HG GLU 25 1HG GLU 25 5.187 3.179 11.695
203 H GLU 26 H GLU 26 0.868 2.961 9.846
204 HA GLU 26 HA GLU 26 1.771 0.994 8.023
205 1HB GLU 26 2HB GLU 26 -0.960 2.023 8.786
206 2HB GLU 26 1HB GLU 26 -0.759 0.799 7.530
207 1HG GLU 26 2HG GLU 26 0.224 -0.749 9.044
208 2HG GLU 26 1HG GLU 26 0.491 0.494 10.265
209 H LYS 27 H LYS 27 0.039 4.060 7.546
210 HA LYS 27 HA LYS 27 -0.370 3.949 4.797
211 1HB LYS 27 2HB LYS 27 -1.067 5.738 6.594
212 2HB LYS 27 1HB LYS 27 0.426 6.533 6.099
213 1HG LYS 27 2HG LYS 27 -0.335 6.509 3.751
214 2HG LYS 27 1HG LYS 27 -1.828 5.706 4.240
215 1HD LYS 27 2HD LYS 27 -0.983 8.344 5.449
216 2HD LYS 27 1HD LYS 27 -1.912 8.271 3.952
217 1HE LYS 27 2HE LYS 27 -3.605 6.844 5.172
218 2HE LYS 27 1HE LYS 27 -2.722 7.179 6.662
219 1HZ LYS 27 1HZ LYS 27 -4.511 8.736 6.428
220 2HZ LYS 27 2HZ LYS 27 -3.994 9.176 4.870
221 3HZ LYS 27 3HZ LYS 27 -3.044 9.563 6.224
222 H ALA 28 H ALA 28 2.469 5.114 6.589
223 HA ALA 28 HA ALA 28 3.956 6.011 4.373
224 1HB ALA 28 1HB ALA 28 4.696 6.674 6.529
225 2HB ALA 28 2HB ALA 28 5.944 5.589 5.918
226 3HB ALA 28 3HB ALA 28 4.773 5.008 7.101
227 H GLU 29 H GLU 29 3.739 2.840 5.929
228 HA GLU 29 HA GLU 29 5.798 1.541 4.546
229 1HB GLU 29 2HB GLU 29 4.309 0.745 6.540
230 2HB GLU 29 1HB GLU 29 3.259 0.113 5.274
231 1HG GLU 29 2HG GLU 29 4.799 -1.644 5.907
232 2HG GLU 29 1HG GLU 29 5.249 -1.075 4.301
233 H GLN 30 H GLN 30 2.318 1.103 3.879
234 HA GLN 30 HA GLN 30 2.554 -0.129 1.416
235 1HB GLN 30 2HB GLN 30 0.255 0.745 0.955
236 2HB GLN 30 1HB GLN 30 0.419 -0.023 2.532
237 1HG GLN 30 2HG GLN 30 0.647 2.168 3.602
238 2HG GLN 30 1HG GLN 30 0.569 2.965 2.033
239 1HE2 GLN 30 1HE2 GLN 30 -1.543 1.411 0.851
240 2HE2 GLN 30 2HE2 GLN 30 -2.971 1.721 1.711
241 H GLN 31 H GLN 31 2.674 3.310 2.170
242 HA GLN 31 HA GLN 31 2.425 4.353 -0.420
243 1HB GLN 31 2HB GLN 31 2.395 5.690 1.691
244 2HB GLN 31 1HB GLN 31 4.139 5.464 1.813
245 1HG GLN 31 2HG GLN 31 4.494 6.614 -0.292
246 2HG GLN 31 1HG GLN 31 2.758 6.704 -0.583
247 1HE2 GLN 31 1HE2 GLN 31 5.293 8.587 0.417
248 2HE2 GLN 31 2HE2 GLN 31 4.459 9.676 1.417
249 H LYS 32 H LYS 32 5.241 3.107 1.315
250 HA LYS 32 HA LYS 32 7.231 3.888 -0.512
251 1HB LYS 32 2HB LYS 32 7.595 2.956 1.804
252 2HB LYS 32 1HB LYS 32 7.240 1.359 1.146
253 1HG LYS 32 2HG LYS 32 9.148 1.362 -0.231
254 2HG LYS 32 1HG LYS 32 9.328 3.114 -0.140
255 1HD LYS 32 2HD LYS 32 9.524 1.499 2.384
256 2HD LYS 32 1HD LYS 32 10.904 1.545 1.289
257 1HE LYS 32 2HE LYS 32 9.511 4.048 2.268
258 2HE LYS 32 1HE LYS 32 10.894 3.335 3.099
259 1HZ LYS 32 1HZ LYS 32 10.959 4.005 0.218
260 2HZ LYS 32 2HZ LYS 32 12.266 3.681 1.251
261 3HZ LYS 32 3HZ LYS 32 11.390 5.127 1.414
262 H LEU 33 H LEU 33 5.397 0.836 -0.269
263 HA LEU 33 HA LEU 33 6.541 -0.513 -2.426
264 1HB LEU 33 2HB LEU 33 3.748 -0.612 -1.280
265 2HB LEU 33 1HB LEU 33 4.301 -1.707 -2.547
266 HG LEU 33 HG LEU 33 5.678 -1.369 0.136
267 1HD1 LEU 33 1HD1 LEU 33 3.638 -3.361 -0.865
268 2HD1 LEU 33 2HD1 LEU 33 3.588 -2.397 0.612
269 3HD1 LEU 33 3HD1 LEU 33 4.728 -3.736 0.468
270 1HD2 LEU 33 1HD2 LEU 33 6.485 -3.760 -0.796
271 2HD2 LEU 33 2HD2 LEU 33 7.334 -2.269 -1.198
272 3HD2 LEU 33 3HD2 LEU 33 6.185 -2.964 -2.341
273 H ARG 34 H ARG 34 3.743 1.680 -2.375
274 HA ARG 34 HA ARG 34 2.943 1.484 -5.028
275 1HB ARG 34 2HB ARG 34 1.764 2.763 -3.229
276 2HB ARG 34 1HB ARG 34 2.996 4.015 -3.367
277 1HG ARG 34 2HG ARG 34 1.304 4.821 -4.774
278 2HG ARG 34 1HG ARG 34 2.377 4.003 -5.908
279 1HD ARG 34 2HD ARG 34 0.963 2.032 -5.908
280 2HD ARG 34 1HD ARG 34 -0.048 2.708 -4.635
281 HE ARG 34 HE ARG 34 -0.197 4.571 -6.630
282 1HH1 ARG 34 1HH2 ARG 34 -0.683 1.146 -6.425
283 2HH1 ARG 34 2HH2 ARG 34 -1.877 1.103 -7.680
284 1HH2 ARG 34 1HH1 ARG 34 -1.762 4.516 -8.275
285 2HH2 ARG 34 2HH1 ARG 34 -2.483 3.009 -8.728
286 H GLN 35 H GLN 35 5.189 3.879 -3.637
287 HA GLN 35 HA GLN 35 5.967 5.029 -6.096
288 1HB GLN 35 2HB GLN 35 6.305 6.170 -3.964
289 2HB GLN 35 1HB GLN 35 7.431 4.913 -3.447
290 1HG GLN 35 2HG GLN 35 9.038 5.529 -5.091
291 2HG GLN 35 1HG GLN 35 7.870 6.511 -5.975
292 1HE2 GLN 35 1HE2 GLN 35 9.540 6.350 -2.787
293 2HE2 GLN 35 2HE2 GLN 35 9.557 8.031 -2.550
294 H GLU 36 H GLU 36 7.285 2.346 -4.208
295 HA GLU 36 HA GLU 36 9.683 1.991 -5.663
296 1HB GLU 36 2HB GLU 36 8.985 0.977 -3.400
297 2HB GLU 36 1HB GLU 36 8.156 -0.251 -4.355
298 1HG GLU 36 2HG GLU 36 10.443 -0.443 -5.618
299 2HG GLU 36 1HG GLU 36 11.102 0.337 -4.182
300 H TYR 37 H TYR 37 6.470 0.513 -6.019
301 HA TYR 37 HA TYR 37 7.020 -1.338 -8.011
302 1HB TYR 37 2HB TYR 37 4.853 -1.192 -6.860
303 2HB TYR 37 1HB TYR 37 4.511 0.327 -7.688
304 HD1 TYR 37 HD1 TYR 37 5.368 -3.260 -8.343
305 HD2 TYR 37 HD2 TYR 37 3.485 0.315 -9.808
306 HE1 TYR 37 HE1 TYR 37 4.491 -4.518 -10.289
307 HE2 TYR 37 HE2 TYR 37 2.608 -0.948 -11.755
308 HH TYR 37 HH TYR 37 3.654 -3.452 -12.939
309 H LEU 38 H LEU 38 6.556 2.141 -8.272
310 HA LEU 38 HA LEU 38 6.187 2.351 -11.047
311 1HB LEU 38 2HB LEU 38 7.745 4.333 -9.379
312 2HB LEU 38 1HB LEU 38 6.790 4.649 -10.826
313 HG LEU 38 HG LEU 38 5.722 3.753 -8.133
314 1HD1 LEU 38 1HD1 LEU 38 6.395 6.135 -8.264
315 2HD1 LEU 38 2HD1 LEU 38 4.647 5.958 -8.109
316 3HD1 LEU 38 3HD1 LEU 38 5.360 6.338 -9.677
317 1HD2 LEU 38 1HD2 LEU 38 3.499 4.340 -9.408
318 2HD2 LEU 38 2HD2 LEU 38 4.240 2.759 -9.653
319 3HD2 LEU 38 3HD2 LEU 38 4.462 4.033 -10.853
320 H LYS 39 H LYS 39 9.212 2.502 -9.154
321 HA LYS 39 HA LYS 39 10.931 2.712 -11.403
322 1HB LYS 39 2HB LYS 39 11.615 3.301 -9.094
323 2HB LYS 39 1HB LYS 39 11.537 1.595 -8.651
324 1HG LYS 39 2HG LYS 39 13.366 1.026 -10.031
325 2HG LYS 39 1HG LYS 39 13.223 2.505 -10.982
326 1HD LYS 39 2HD LYS 39 15.147 2.663 -9.468
327 2HD LYS 39 1HD LYS 39 13.911 3.829 -8.997
328 1HE LYS 39 2HE LYS 39 13.813 1.111 -7.751
329 2HE LYS 39 1HE LYS 39 15.060 2.228 -7.196
330 1HZ LYS 39 1HZ LYS 39 12.836 3.772 -7.299
331 2HZ LYS 39 2HZ LYS 39 13.472 3.056 -5.896
332 3HZ LYS 39 3HZ LYS 39 12.224 2.287 -6.754
333 H GLY 40 H GLY 40 9.563 0.004 -9.631
334 1HA GLY 40 2HA GLY 40 11.110 -1.992 -11.047
335 2HA GLY 40 1HA GLY 40 9.807 -2.292 -9.901
336 H PHE 41 H PHE 41 8.790 -0.010 -12.103
337 HA PHE 41 HA PHE 41 8.100 -1.594 -14.358
338 1HB PHE 41 2HB PHE 41 6.612 -2.483 -12.375
339 2HB PHE 41 1HB PHE 41 5.685 -1.015 -12.670
340 HD1 PHE 41 HD1 PHE 41 4.264 -0.804 -14.569
341 HD2 PHE 41 HD2 PHE 41 6.996 -4.107 -14.280
342 HE1 PHE 41 HE1 PHE 41 3.177 -1.874 -16.523
343 HE2 PHE 41 HE2 PHE 41 5.909 -5.176 -16.236
344 HZ PHE 41 HZ PHE 41 4.000 -4.059 -17.357
345 H ARG 42 H ARG 42 8.722 0.232 -15.495
346 HA ARG 42 HA ARG 42 7.202 2.715 -15.051
347 1HB ARG 42 2HB ARG 42 9.798 2.584 -15.234
348 2HB ARG 42 1HB ARG 42 9.499 2.446 -16.967
349 1HG ARG 42 2HG ARG 42 8.014 4.522 -16.726
350 2HG ARG 42 1HG ARG 42 8.724 4.714 -15.123
351 1HD ARG 42 2HD ARG 42 11.003 4.489 -16.384
352 2HD ARG 42 1HD ARG 42 10.058 4.895 -17.813
353 HE ARG 42 HE ARG 42 9.431 6.778 -15.840
354 1HH1 ARG 42 1HH2 ARG 42 12.159 5.719 -17.699
355 2HH1 ARG 42 2HH2 ARG 42 12.929 7.270 -17.700
356 1HH2 ARG 42 1HH1 ARG 42 10.439 8.803 -15.840
357 2HH2 ARG 42 2HH1 ARG 42 11.957 9.014 -16.646
Start of MODEL 5
1 1H MET 1 1HT MET 1 8.362 -9.959 -12.825
2 2H MET 1 2HT MET 1 7.509 -11.327 -12.290
3 3H MET 1 3HT MET 1 9.197 -11.250 -12.109
4 HA MET 1 HA MET 1 8.573 -10.710 -10.002
5 1HB MET 1 2HB MET 1 8.247 -7.985 -11.269
6 2HB MET 1 1HB MET 1 8.972 -8.386 -9.714
7 1HG MET 1 2HG MET 1 10.098 -8.969 -12.467
8 2HG MET 1 1HG MET 1 10.777 -7.908 -11.234
9 1HE MET 1 1HE MET 1 13.423 -9.570 -10.950
10 2HE MET 1 2HE MET 1 12.508 -9.290 -12.429
11 3HE MET 1 3HE MET 1 13.008 -10.926 -12.007
12 H ILE 2 H ILE 2 6.323 -9.384 -12.385
13 HA ILE 2 HA ILE 2 4.275 -8.765 -10.461
14 HB ILE 2 HB ILE 2 4.357 -8.891 -13.474
15 1HG1 ILE 2 2HG1 ILE 2 5.365 -6.984 -12.023
16 2HG1 ILE 2 1HG1 ILE 2 4.305 -6.539 -13.357
17 1HG2 ILE 2 1HG2 ILE 2 2.124 -9.575 -12.988
18 2HG2 ILE 2 2HG2 ILE 2 2.026 -7.842 -13.299
19 3HG2 ILE 2 3HG2 ILE 2 1.991 -8.443 -11.642
20 1HD1 ILE 2 1HD1 ILE 2 2.553 -5.941 -11.950
21 2HD1 ILE 2 2HD1 ILE 2 3.938 -5.492 -10.954
22 3HD1 ILE 2 3HD1 ILE 2 3.091 -7.008 -10.655
23 H SER 3 H SER 3 2.337 -9.853 -10.125
24 HA SER 3 HA SER 3 1.841 -12.437 -11.347
25 1HB SER 3 2HB SER 3 2.645 -12.184 -8.445
26 2HB SER 3 1HB SER 3 1.746 -13.565 -9.071
27 HG SER 3 HG SER 3 4.387 -12.911 -9.330
28 H ASN 4 H ASN 4 0.696 -9.634 -10.579
29 HA ASN 4 HA ASN 4 -1.401 -8.776 -10.228
30 1HB ASN 4 2HB ASN 4 -2.503 -11.580 -10.156
31 2HB ASN 4 1HB ASN 4 -3.289 -10.102 -10.700
32 1HD2 ASN 4 1HD2 ASN 4 -0.675 -9.346 -12.167
33 2HD2 ASN 4 2HD2 ASN 4 -0.717 -10.289 -13.576
34 H ALA 5 H ALA 5 0.277 -10.605 -8.109
35 HA ALA 5 HA ALA 5 -1.670 -10.784 -5.969
36 1HB ALA 5 1HB ALA 5 1.327 -11.107 -5.759
37 2HB ALA 5 2HB ALA 5 0.262 -12.399 -6.314
38 3HB ALA 5 3HB ALA 5 0.091 -11.754 -4.681
39 H LYS 6 H LYS 6 0.759 -8.564 -7.094
40 HA LYS 6 HA LYS 6 1.098 -7.076 -4.689
41 1HB LYS 6 2HB LYS 6 2.530 -7.080 -6.870
42 2HB LYS 6 1HB LYS 6 1.375 -5.872 -7.433
43 1HG LYS 6 2HG LYS 6 1.870 -4.441 -5.524
44 2HG LYS 6 1HG LYS 6 2.917 -5.679 -4.827
45 1HD LYS 6 2HD LYS 6 4.383 -5.528 -6.835
46 2HD LYS 6 1HD LYS 6 3.368 -4.223 -7.450
47 1HE LYS 6 2HE LYS 6 4.286 -3.834 -4.670
48 2HE LYS 6 1HE LYS 6 5.580 -3.849 -5.869
49 1HZ LYS 6 1HZ LYS 6 3.950 -2.299 -7.149
50 2HZ LYS 6 2HZ LYS 6 4.944 -1.669 -5.923
51 3HZ LYS 6 3HZ LYS 6 3.310 -2.008 -5.605
52 H ILE 7 H ILE 7 -0.969 -6.655 -7.554
53 HA ILE 7 HA ILE 7 -2.201 -4.251 -6.844
54 HB ILE 7 HB ILE 7 -3.360 -6.617 -8.345
55 1HG1 ILE 7 2HG1 ILE 7 -2.205 -4.037 -9.441
56 2HG1 ILE 7 1HG1 ILE 7 -1.232 -5.493 -9.226
57 1HG2 ILE 7 1HG2 ILE 7 -5.191 -5.222 -7.660
58 2HG2 ILE 7 2HG2 ILE 7 -4.843 -4.792 -9.332
59 3HG2 ILE 7 3HG2 ILE 7 -4.290 -3.749 -8.023
60 1HD1 ILE 7 1HD1 ILE 7 -2.173 -5.268 -11.540
61 2HD1 ILE 7 2HD1 ILE 7 -3.792 -5.381 -10.848
62 3HD1 ILE 7 3HD1 ILE 7 -2.683 -6.746 -10.722
63 H ALA 8 H ALA 8 -3.261 -7.590 -6.191
64 HA ALA 8 HA ALA 8 -5.560 -6.993 -4.710
65 1HB ALA 8 1HB ALA 8 -5.335 -9.273 -3.801
66 2HB ALA 8 2HB ALA 8 -3.687 -9.356 -4.420
67 3HB ALA 8 3HB ALA 8 -5.044 -9.248 -5.539
68 H ARG 9 H ARG 9 -2.185 -7.336 -3.684
69 HA ARG 9 HA ARG 9 -2.598 -7.232 -0.906
70 1HB ARG 9 2HB ARG 9 -0.452 -7.891 -1.845
71 2HB ARG 9 1HB ARG 9 -0.233 -6.291 -2.549
72 1HG ARG 9 2HG ARG 9 -0.009 -5.264 -0.413
73 2HG ARG 9 1HG ARG 9 -0.632 -6.686 0.420
74 1HD ARG 9 2HD ARG 9 1.788 -7.094 -1.259
75 2HD ARG 9 1HD ARG 9 2.008 -6.153 0.212
76 HE ARG 9 HE ARG 9 1.371 -8.985 0.039
77 1HH1 ARG 9 1HH2 ARG 9 1.405 -6.105 1.971
78 2HH1 ARG 9 2HH2 ARG 9 1.440 -6.957 3.478
79 1HH2 ARG 9 1HH1 ARG 9 1.411 -10.097 2.011
80 2HH2 ARG 9 2HH1 ARG 9 1.439 -9.215 3.501
81 H ILE 10 H ILE 10 -1.158 -4.561 -2.756
82 HA ILE 10 HA ILE 10 -1.592 -2.544 -0.927
83 HB ILE 10 HB ILE 10 -1.802 -2.100 -3.912
84 1HG1 ILE 10 2HG1 ILE 10 0.668 -2.574 -2.204
85 2HG1 ILE 10 1HG1 ILE 10 0.106 -3.587 -3.531
86 1HG2 ILE 10 1HG2 ILE 10 -0.312 -0.397 -1.934
87 2HG2 ILE 10 2HG2 ILE 10 -2.068 -0.272 -2.017
88 3HG2 ILE 10 3HG2 ILE 10 -1.091 0.072 -3.444
89 1HD1 ILE 10 1HD1 ILE 10 1.383 -0.878 -3.632
90 2HD1 ILE 10 2HD1 ILE 10 0.260 -1.339 -4.911
91 3HD1 ILE 10 3HD1 ILE 10 1.707 -2.303 -4.617
92 H ASN 11 H ASN 11 -3.802 -3.707 -3.451
93 HA ASN 11 HA ASN 11 -5.804 -1.753 -3.152
94 1HB ASN 11 2HB ASN 11 -5.807 -3.241 -5.056
95 2HB ASN 11 1HB ASN 11 -5.994 -4.647 -4.011
96 1HD2 ASN 11 1HD2 ASN 11 -8.095 -5.376 -4.482
97 2HD2 ASN 11 2HD2 ASN 11 -9.481 -4.399 -4.413
98 H GLU 12 H GLU 12 -5.762 -5.072 -1.816
99 HA GLU 12 HA GLU 12 -8.030 -4.788 -0.195
100 1HB GLU 12 2HB GLU 12 -6.946 -6.954 -0.763
101 2HB GLU 12 1HB GLU 12 -5.624 -6.549 0.333
102 1HG GLU 12 2HG GLU 12 -7.019 -6.633 2.237
103 2HG GLU 12 1HG GLU 12 -8.490 -6.513 1.274
104 H LEU 13 H LEU 13 -4.615 -4.123 0.473
105 HA LEU 13 HA LEU 13 -4.846 -3.612 3.233
106 1HB LEU 13 2HB LEU 13 -2.754 -3.753 1.573
107 2HB LEU 13 1HB LEU 13 -2.926 -2.000 1.616
108 HG LEU 13 HG LEU 13 -2.750 -3.757 4.085
109 1HD1 LEU 13 1HD1 LEU 13 -0.657 -3.669 2.636
110 2HD1 LEU 13 2HD1 LEU 13 -0.458 -3.084 4.287
111 3HD1 LEU 13 3HD1 LEU 13 -0.609 -1.935 2.956
112 1HD2 LEU 13 1HD2 LEU 13 -3.767 -1.813 4.840
113 2HD2 LEU 13 2HD2 LEU 13 -3.052 -0.818 3.570
114 3HD2 LEU 13 3HD2 LEU 13 -2.076 -1.323 4.949
115 H ALA 14 H ALA 14 -5.103 -1.447 0.422
116 HA ALA 14 HA ALA 14 -5.420 0.979 1.756
117 1HB ALA 14 1HB ALA 14 -6.570 -0.016 -0.853
118 2HB ALA 14 2HB ALA 14 -5.156 1.009 -0.615
119 3HB ALA 14 3HB ALA 14 -6.770 1.643 -0.291
120 H ALA 15 H ALA 15 -7.954 -1.294 0.677
121 HA ALA 15 HA ALA 15 -10.133 0.114 1.801
122 1HB ALA 15 1HB ALA 15 -9.988 -2.879 1.415
123 2HB ALA 15 2HB ALA 15 -10.227 -1.754 0.078
124 3HB ALA 15 3HB ALA 15 -11.419 -1.850 1.374
125 H LYS 16 H LYS 16 -7.901 -2.264 3.098
126 HA LYS 16 HA LYS 16 -9.277 -2.913 5.471
127 1HB LYS 16 2HB LYS 16 -7.281 -4.142 4.567
128 2HB LYS 16 1HB LYS 16 -6.273 -2.791 5.084
129 1HG LYS 16 2HG LYS 16 -6.776 -3.156 7.381
130 2HG LYS 16 1HG LYS 16 -8.121 -4.230 6.995
131 1HD LYS 16 2HD LYS 16 -5.383 -4.962 6.018
132 2HD LYS 16 1HD LYS 16 -5.765 -5.218 7.720
133 1HE LYS 16 2HE LYS 16 -7.834 -6.463 6.986
134 2HE LYS 16 1HE LYS 16 -7.239 -6.355 5.328
135 1HZ LYS 16 1HZ LYS 16 -6.380 -8.055 7.478
136 2HZ LYS 16 2HZ LYS 16 -5.092 -7.267 6.697
137 3HZ LYS 16 3HZ LYS 16 -6.167 -8.234 5.805
138 H ALA 17 H ALA 17 -6.503 -0.717 5.051
139 HA ALA 17 HA ALA 17 -6.695 0.508 7.583
140 1HB ALA 17 1HB ALA 17 -4.648 0.869 6.539
141 2HB ALA 17 2HB ALA 17 -5.448 2.419 6.279
142 3HB ALA 17 3HB ALA 17 -5.389 1.231 4.979
143 H LYS 18 H LYS 18 -8.634 0.853 4.760
144 HA LYS 18 HA LYS 18 -9.493 3.542 5.143
145 1HB LYS 18 2HB LYS 18 -9.914 2.061 3.089
146 2HB LYS 18 1HB LYS 18 -11.226 1.335 4.017
147 1HG LYS 18 2HG LYS 18 -12.232 3.576 4.336
148 2HG LYS 18 1HG LYS 18 -10.934 4.287 3.378
149 1HD LYS 18 2HD LYS 18 -11.680 2.530 1.570
150 2HD LYS 18 1HD LYS 18 -13.187 2.507 2.485
151 1HE LYS 18 2HE LYS 18 -13.327 4.983 2.269
152 2HE LYS 18 1HE LYS 18 -11.866 4.957 1.282
153 1HZ LYS 18 1HZ LYS 18 -14.055 3.188 0.505
154 2HZ LYS 18 2HZ LYS 18 -12.939 4.026 -0.464
155 3HZ LYS 18 3HZ LYS 18 -14.258 4.848 0.223
156 H ALA 19 H ALA 19 -11.312 0.550 5.811
157 HA ALA 19 HA ALA 19 -12.946 1.870 7.803
158 1HB ALA 19 1HB ALA 19 -13.606 -0.086 6.208
159 2HB ALA 19 2HB ALA 19 -14.191 -0.115 7.871
160 3HB ALA 19 3HB ALA 19 -12.811 -1.110 7.406
161 H GLY 20 H GLY 20 -9.867 0.614 7.752
162 1HA GLY 20 2HA GLY 20 -9.899 -0.343 10.534
163 2HA GLY 20 1HA GLY 20 -8.593 -0.570 9.376
164 H VAL 21 H VAL 21 -9.477 2.518 8.897
165 HA VAL 21 HA VAL 21 -8.685 4.570 9.527
166 HB VAL 21 HB VAL 21 -7.795 3.523 12.188
167 1HG1 VAL 21 1HG1 VAL 21 -9.538 5.910 11.684
168 2HG1 VAL 21 2HG1 VAL 21 -7.835 5.997 11.234
169 3HG1 VAL 21 3HG1 VAL 21 -8.290 5.676 12.908
170 1HG2 VAL 21 1HG2 VAL 21 -10.535 3.379 11.036
171 2HG2 VAL 21 2HG2 VAL 21 -10.411 4.027 12.672
172 3HG2 VAL 21 3HG2 VAL 21 -9.801 2.411 12.314
173 H ILE 22 H ILE 22 -7.004 4.651 8.098
174 HA ILE 22 HA ILE 22 -4.583 3.309 8.179
175 HB ILE 22 HB ILE 22 -5.382 4.714 6.293
176 1HG1 ILE 22 2HG1 ILE 22 -3.065 5.932 5.996
177 2HG1 ILE 22 1HG1 ILE 22 -2.638 5.075 7.475
178 1HG2 ILE 22 1HG2 ILE 22 -4.376 7.092 7.864
179 2HG2 ILE 22 2HG2 ILE 22 -6.076 6.613 7.883
180 3HG2 ILE 22 3HG2 ILE 22 -5.307 7.085 6.365
181 1HD1 ILE 22 1HD1 ILE 22 -2.051 3.807 5.393
182 2HD1 ILE 22 2HD1 ILE 22 -3.769 3.737 5.001
183 3HD1 ILE 22 3HD1 ILE 22 -3.160 2.935 6.449
184 H THR 23 H THR 23 -2.727 3.501 9.291
185 HA THR 23 HA THR 23 -2.591 5.604 11.369
186 HB THR 23 HB THR 23 -1.368 4.063 12.737
187 HG1 THR 23 HG1 THR 23 -0.415 3.153 10.621
188 1HG2 THR 23 1HG2 THR 23 -3.456 2.314 11.445
189 2HG2 THR 23 2HG2 THR 23 -3.911 3.736 12.383
190 3HG2 THR 23 3HG2 THR 23 -3.014 2.424 13.148
191 H GLU 24 H GLU 24 -0.511 6.518 11.820
192 HA GLU 24 HA GLU 24 0.957 7.373 9.644
193 1HB GLU 24 2HB GLU 24 2.173 6.942 12.381
194 2HB GLU 24 1HB GLU 24 2.612 8.155 11.181
195 1HG GLU 24 2HG GLU 24 1.278 9.451 12.551
196 2HG GLU 24 1HG GLU 24 0.059 8.849 11.435
197 H GLU 25 H GLU 25 1.476 4.545 11.693
198 HA GLU 25 HA GLU 25 3.927 3.671 10.623
199 1HB GLU 25 2HB GLU 25 2.587 2.837 12.700
200 2HB GLU 25 1HB GLU 25 1.792 1.763 11.549
201 1HG GLU 25 2HG GLU 25 3.968 0.857 10.861
202 2HG GLU 25 1HG GLU 25 4.791 1.961 11.961
203 H GLU 26 H GLU 26 0.587 2.741 9.794
204 HA GLU 26 HA GLU 26 1.249 0.992 7.678
205 1HB GLU 26 2HB GLU 26 -1.244 2.526 8.398
206 2HB GLU 26 1HB GLU 26 -1.165 1.527 6.947
207 1HG GLU 26 2HG GLU 26 -0.468 -0.406 8.374
208 2HG GLU 26 1HG GLU 26 -0.705 0.605 9.798
209 H LYS 27 H LYS 27 0.296 4.419 7.689
210 HA LYS 27 HA LYS 27 0.220 4.923 4.975
211 1HB LYS 27 2HB LYS 27 -0.023 6.463 7.191
212 2HB LYS 27 1HB LYS 27 1.552 7.002 6.611
213 1HG LYS 27 2HG LYS 27 0.594 7.467 4.393
214 2HG LYS 27 1HG LYS 27 -0.983 6.896 4.944
215 1HD LYS 27 2HD LYS 27 -0.702 8.683 6.827
216 2HD LYS 27 1HD LYS 27 0.514 9.379 5.757
217 1HE LYS 27 2HE LYS 27 -1.376 10.495 5.005
218 2HE LYS 27 1HE LYS 27 -1.398 9.092 3.938
219 1HZ LYS 27 1HZ LYS 27 -3.047 9.638 6.315
220 2HZ LYS 27 2HZ LYS 27 -2.783 8.036 5.812
221 3HZ LYS 27 3HZ LYS 27 -3.533 9.146 4.767
222 H ALA 28 H ALA 28 3.058 4.951 7.124
223 HA ALA 28 HA ALA 28 4.960 5.736 5.189
224 1HB ALA 28 1HB ALA 28 5.394 3.950 7.598
225 2HB ALA 28 2HB ALA 28 5.364 5.712 7.648
226 3HB ALA 28 3HB ALA 28 6.626 4.877 6.741
227 H GLU 29 H GLU 29 3.782 2.555 6.210
228 HA GLU 29 HA GLU 29 5.517 0.950 4.701
229 1HB GLU 29 2HB GLU 29 3.957 0.137 6.482
230 2HB GLU 29 1HB GLU 29 2.620 0.365 5.355
231 1HG GLU 29 2HG GLU 29 3.375 -1.974 5.324
232 2HG GLU 29 1HG GLU 29 3.684 -1.205 3.770
233 H GLN 30 H GLN 30 2.187 1.960 3.892
234 HA GLN 30 HA GLN 30 1.962 0.914 1.356
235 1HB GLN 30 2HB GLN 30 0.932 3.654 2.109
236 2HB GLN 30 1HB GLN 30 0.240 2.521 0.948
237 1HG GLN 30 2HG GLN 30 0.321 0.987 3.221
238 2HG GLN 30 1HG GLN 30 -0.003 2.584 3.887
239 1HE2 GLN 30 1HE2 GLN 30 -1.139 0.601 1.082
240 2HE2 GLN 30 2HE2 GLN 30 -2.773 1.017 1.276
241 H GLN 31 H GLN 31 3.574 3.912 2.321
242 HA GLN 31 HA GLN 31 4.009 5.051 -0.188
243 1HB GLN 31 2HB GLN 31 4.501 6.187 1.947
244 2HB GLN 31 1HB GLN 31 5.861 5.099 2.208
245 1HG GLN 31 2HG GLN 31 7.036 5.953 0.308
246 2HG GLN 31 1HG GLN 31 5.614 6.824 -0.264
247 1HE2 GLN 31 1HE2 GLN 31 4.714 8.263 1.849
248 2HE2 GLN 31 2HE2 GLN 31 5.924 9.268 2.487
249 H LYS 32 H LYS 32 5.856 2.552 1.514
250 HA LYS 32 HA LYS 32 8.067 2.412 -0.216
251 1HB LYS 32 2HB LYS 32 6.767 0.184 1.371
252 2HB LYS 32 1HB LYS 32 8.387 0.141 0.681
253 1HG LYS 32 2HG LYS 32 9.091 2.001 2.084
254 2HG LYS 32 1HG LYS 32 7.451 2.198 2.703
255 1HD LYS 32 2HD LYS 32 7.569 -0.130 3.620
256 2HD LYS 32 1HD LYS 32 9.254 -0.208 3.107
257 1HE LYS 32 2HE LYS 32 9.833 1.654 4.564
258 2HE LYS 32 1HE LYS 32 8.140 1.886 4.998
259 1HZ LYS 32 1HZ LYS 32 8.108 -0.284 6.009
260 2HZ LYS 32 2HZ LYS 32 9.378 0.626 6.677
261 3HZ LYS 32 3HZ LYS 32 9.709 -0.581 5.529
262 H LEU 33 H LEU 33 5.102 0.421 -0.194
263 HA LEU 33 HA LEU 33 5.646 -1.086 -2.483
264 1HB LEU 33 2HB LEU 33 2.898 -0.175 -1.605
265 2HB LEU 33 1HB LEU 33 3.302 -1.621 -2.527
266 HG LEU 33 HG LEU 33 4.056 -1.041 0.353
267 1HD1 LEU 33 1HD1 LEU 33 2.617 -2.912 0.873
268 2HD1 LEU 33 2HD1 LEU 33 2.386 -3.274 -0.837
269 3HD1 LEU 33 3HD1 LEU 33 1.703 -1.801 -0.147
270 1HD2 LEU 33 1HD2 LEU 33 5.922 -2.220 -0.477
271 2HD2 LEU 33 2HD2 LEU 33 4.943 -3.175 -1.588
272 3HD2 LEU 33 3HD2 LEU 33 4.888 -3.505 0.143
273 H ARG 34 H ARG 34 3.798 1.955 -2.196
274 HA ARG 34 HA ARG 34 3.167 2.257 -4.911
275 1HB ARG 34 2HB ARG 34 2.205 3.607 -3.032
276 2HB ARG 34 1HB ARG 34 3.731 4.484 -2.939
277 1HG ARG 34 2HG ARG 34 3.466 5.135 -5.333
278 2HG ARG 34 1HG ARG 34 1.894 4.337 -5.349
279 1HD ARG 34 2HD ARG 34 2.435 6.367 -3.216
280 2HD ARG 34 1HD ARG 34 2.102 6.936 -4.849
281 HE ARG 34 HE ARG 34 0.209 4.990 -3.782
282 1HH1 ARG 34 1HH2 ARG 34 1.054 8.314 -4.295
283 2HH1 ARG 34 2HH2 ARG 34 -0.572 8.889 -4.145
284 1HH2 ARG 34 1HH1 ARG 34 -1.919 5.744 -3.591
285 2HH2 ARG 34 2HH1 ARG 34 -2.252 7.436 -3.747
286 H GLN 35 H GLN 35 6.034 3.180 -3.074
287 HA GLN 35 HA GLN 35 7.323 4.718 -5.049
288 1HB GLN 35 2HB GLN 35 7.995 4.575 -2.638
289 2HB GLN 35 1HB GLN 35 8.636 2.965 -2.958
290 1HG GLN 35 2HG GLN 35 10.327 3.783 -4.379
291 2HG GLN 35 1HG GLN 35 9.506 5.323 -4.621
292 1HE2 GLN 35 1HE2 GLN 35 12.136 4.055 -3.073
293 2HE2 GLN 35 2HE2 GLN 35 12.241 5.125 -1.760
294 H GLU 36 H GLU 36 7.342 1.244 -4.370
295 HA GLU 36 HA GLU 36 9.295 0.534 -6.308
296 1HB GLU 36 2HB GLU 36 7.109 -1.012 -4.915
297 2HB GLU 36 1HB GLU 36 8.182 -1.762 -6.097
298 1HG GLU 36 2HG GLU 36 10.116 -1.314 -4.777
299 2HG GLU 36 1HG GLU 36 9.231 -0.209 -3.726
300 H TYR 37 H TYR 37 5.755 0.737 -6.390
301 HA TYR 37 HA TYR 37 5.231 -0.401 -8.862
302 1HB TYR 37 2HB TYR 37 3.558 0.486 -7.162
303 2HB TYR 37 1HB TYR 37 3.848 2.085 -7.846
304 HD1 TYR 37 HD1 TYR 37 3.433 2.463 -10.323
305 HD2 TYR 37 HD2 TYR 37 2.157 -1.089 -8.268
306 HE1 TYR 37 HE1 TYR 37 1.862 1.957 -12.172
307 HE2 TYR 37 HE2 TYR 37 0.585 -1.593 -10.117
308 HH TYR 37 HH TYR 37 -0.316 -0.858 -12.015
309 H LEU 38 H LEU 38 5.848 3.061 -8.204
310 HA LEU 38 HA LEU 38 5.880 3.893 -10.890
311 1HB LEU 38 2HB LEU 38 6.794 5.001 -8.294
312 2HB LEU 38 1HB LEU 38 7.553 5.679 -9.732
313 HG LEU 38 HG LEU 38 5.467 6.891 -9.010
314 1HD1 LEU 38 1HD1 LEU 38 4.877 7.357 -11.194
315 2HD1 LEU 38 2HD1 LEU 38 4.858 5.657 -11.665
316 3HD1 LEU 38 3HD1 LEU 38 6.394 6.503 -11.479
317 1HD2 LEU 38 1HD2 LEU 38 3.873 4.614 -10.136
318 2HD2 LEU 38 2HD2 LEU 38 3.383 5.867 -8.995
319 3HD2 LEU 38 3HD2 LEU 38 4.393 4.528 -8.452
320 H LYS 39 H LYS 39 8.479 2.768 -8.759
321 HA LYS 39 HA LYS 39 10.616 3.181 -10.581
322 1HB LYS 39 2HB LYS 39 11.012 2.870 -8.190
323 2HB LYS 39 1HB LYS 39 10.347 1.238 -8.270
324 1HG LYS 39 2HG LYS 39 12.162 0.431 -9.547
325 2HG LYS 39 1HG LYS 39 12.673 2.055 -10.010
326 1HD LYS 39 2HD LYS 39 13.644 2.489 -7.929
327 2HD LYS 39 1HD LYS 39 12.649 1.291 -7.102
328 1HE LYS 39 2HE LYS 39 14.610 0.409 -9.208
329 2HE LYS 39 1HE LYS 39 15.169 0.746 -7.570
330 1HZ LYS 39 1HZ LYS 39 14.628 -1.483 -7.493
331 2HZ LYS 39 2HZ LYS 39 13.263 -1.306 -8.490
332 3HZ LYS 39 3HZ LYS 39 13.222 -0.755 -6.883
333 H GLY 40 H GLY 40 8.077 0.898 -10.502
334 1HA GLY 40 2HA GLY 40 9.527 -1.115 -12.062
335 2HA GLY 40 1HA GLY 40 7.887 -1.261 -11.438
336 H PHE 41 H PHE 41 7.487 1.606 -12.534
337 HA PHE 41 HA PHE 41 6.173 0.883 -14.929
338 1HB PHE 41 2HB PHE 41 5.584 2.858 -13.533
339 2HB PHE 41 1HB PHE 41 7.076 3.640 -14.055
340 HD1 PHE 41 HD1 PHE 41 7.245 4.691 -16.188
341 HD2 PHE 41 HD2 PHE 41 3.841 2.238 -15.259
342 HE1 PHE 41 HE1 PHE 41 6.113 5.480 -18.248
343 HE2 PHE 41 HE2 PHE 41 2.711 3.027 -17.319
344 HZ PHE 41 HZ PHE 41 3.846 4.648 -18.814
345 H ARG 42 H ARG 42 6.915 0.612 -16.938
346 HA ARG 42 HA ARG 42 9.484 1.860 -17.693
347 1HB ARG 42 2HB ARG 42 9.717 -0.595 -17.074
348 2HB ARG 42 1HB ARG 42 8.717 -0.953 -18.482
349 1HG ARG 42 2HG ARG 42 10.351 0.330 -19.894
350 2HG ARG 42 1HG ARG 42 11.382 0.493 -18.473
351 1HD ARG 42 2HD ARG 42 12.159 -1.415 -19.747
352 2HD ARG 42 1HD ARG 42 11.400 -2.010 -18.274
353 HE ARG 42 HE ARG 42 9.393 -1.970 -20.182
354 1HH1 ARG 42 1HH2 ARG 42 12.511 -3.427 -19.780
355 2HH1 ARG 42 2HH2 ARG 42 12.126 -4.831 -20.716
356 1HH2 ARG 42 1HH1 ARG 42 8.886 -3.808 -21.406
357 2HH2 ARG 42 2HH1 ARG 42 10.073 -5.047 -21.636
Start of MODEL 6
1 1H MET 1 1HT MET 1 8.603 -4.562 -7.498
2 2H MET 1 2HT MET 1 9.021 -4.983 -5.906
3 3H MET 1 3HT MET 1 7.834 -5.868 -6.738
4 HA MET 1 HA MET 1 10.324 -5.781 -8.149
5 1HB MET 1 2HB MET 1 10.818 -5.792 -5.530
6 2HB MET 1 1HB MET 1 10.404 -7.498 -5.698
7 1HG MET 1 2HG MET 1 12.716 -7.492 -6.097
8 2HG MET 1 1HG MET 1 12.045 -7.450 -7.727
9 1HE MET 1 1HE MET 1 14.342 -6.905 -8.334
10 2HE MET 1 2HE MET 1 14.852 -5.244 -8.632
11 3HE MET 1 3HE MET 1 13.402 -5.866 -9.413
12 H ILE 2 H ILE 2 7.503 -7.237 -6.773
13 HA ILE 2 HA ILE 2 7.781 -9.520 -8.634
14 HB ILE 2 HB ILE 2 7.768 -9.834 -5.976
15 1HG1 ILE 2 2HG1 ILE 2 7.994 -11.624 -7.651
16 2HG1 ILE 2 1HG1 ILE 2 6.885 -12.108 -6.371
17 1HG2 ILE 2 1HG2 ILE 2 5.555 -8.684 -5.744
18 2HG2 ILE 2 2HG2 ILE 2 5.548 -10.336 -5.133
19 3HG2 ILE 2 3HG2 ILE 2 4.826 -9.975 -6.699
20 1HD1 ILE 2 1HD1 ILE 2 5.687 -12.727 -8.273
21 2HD1 ILE 2 2HD1 ILE 2 6.284 -11.363 -9.217
22 3HD1 ILE 2 3HD1 ILE 2 5.051 -11.109 -7.983
23 H SER 3 H SER 3 5.502 -7.341 -6.998
24 HA SER 3 HA SER 3 3.456 -6.515 -7.617
25 1HB SER 3 2HB SER 3 4.078 -7.288 -10.458
26 2HB SER 3 1HB SER 3 3.168 -5.902 -9.863
27 HG SER 3 HG SER 3 5.908 -6.309 -10.071
28 H ASN 4 H ASN 4 2.179 -7.668 -10.187
29 HA ASN 4 HA ASN 4 0.534 -9.180 -10.671
30 1HB ASN 4 2HB ASN 4 2.364 -11.024 -9.111
31 2HB ASN 4 1HB ASN 4 1.006 -11.551 -10.102
32 1HD2 ASN 4 1HD2 ASN 4 3.807 -9.300 -10.514
33 2HD2 ASN 4 2HD2 ASN 4 4.218 -9.873 -12.056
34 H ALA 5 H ALA 5 0.954 -11.177 -7.919
35 HA ALA 5 HA ALA 5 -1.678 -10.643 -6.967
36 1HB ALA 5 1HB ALA 5 -0.269 -12.805 -6.763
37 2HB ALA 5 2HB ALA 5 -1.290 -12.343 -5.403
38 3HB ALA 5 3HB ALA 5 0.444 -12.030 -5.348
39 H LYS 6 H LYS 6 1.488 -9.407 -6.173
40 HA LYS 6 HA LYS 6 0.855 -8.341 -3.610
41 1HB LYS 6 2HB LYS 6 3.185 -8.721 -4.586
42 2HB LYS 6 1HB LYS 6 2.934 -7.233 -5.500
43 1HG LYS 6 2HG LYS 6 2.629 -5.956 -3.463
44 2HG LYS 6 1HG LYS 6 2.655 -7.424 -2.486
45 1HD LYS 6 2HD LYS 6 5.004 -6.858 -4.258
46 2HD LYS 6 1HD LYS 6 4.838 -5.933 -2.766
47 1HE LYS 6 2HE LYS 6 4.676 -8.955 -2.840
48 2HE LYS 6 1HE LYS 6 6.184 -8.084 -2.564
49 1HZ LYS 6 1HZ LYS 6 3.780 -8.210 -0.872
50 2HZ LYS 6 2HZ LYS 6 4.813 -6.864 -0.773
51 3HZ LYS 6 3HZ LYS 6 5.407 -8.420 -0.440
52 H ILE 7 H ILE 7 0.491 -7.169 -6.903
53 HA ILE 7 HA ILE 7 0.088 -4.449 -6.460
54 HB ILE 7 HB ILE 7 -1.234 -6.304 -8.455
55 1HG1 ILE 7 2HG1 ILE 7 0.977 -4.256 -8.819
56 2HG1 ILE 7 1HG1 ILE 7 1.284 -5.965 -8.512
57 1HG2 ILE 7 1HG2 ILE 7 -1.549 -4.001 -9.666
58 2HG2 ILE 7 2HG2 ILE 7 -1.416 -3.323 -8.043
59 3HG2 ILE 7 3HG2 ILE 7 -2.703 -4.469 -8.417
60 1HD1 ILE 7 1HD1 ILE 7 -0.530 -5.123 -10.768
61 2HD1 ILE 7 2HD1 ILE 7 0.364 -6.630 -10.573
62 3HD1 ILE 7 3HD1 ILE 7 1.220 -5.144 -10.984
63 H ALA 8 H ALA 8 -2.472 -6.916 -6.766
64 HA ALA 8 HA ALA 8 -4.605 -5.335 -5.886
65 1HB ALA 8 1HB ALA 8 -4.828 -7.549 -6.998
66 2HB ALA 8 2HB ALA 8 -5.790 -7.430 -5.525
67 3HB ALA 8 3HB ALA 8 -4.270 -8.322 -5.515
68 H ARG 9 H ARG 9 -2.270 -7.273 -4.057
69 HA ARG 9 HA ARG 9 -3.546 -7.105 -1.543
70 1HB ARG 9 2HB ARG 9 -1.633 -8.630 -2.088
71 2HB ARG 9 1HB ARG 9 -0.565 -7.226 -2.058
72 1HG ARG 9 2HG ARG 9 -1.721 -6.829 0.308
73 2HG ARG 9 1HG ARG 9 -2.000 -8.566 0.205
74 1HD ARG 9 2HD ARG 9 0.094 -8.398 1.276
75 2HD ARG 9 1HD ARG 9 0.509 -8.732 -0.402
76 HE ARG 9 HE ARG 9 1.408 -6.591 -0.562
77 1HH1 ARG 9 1HH2 ARG 9 -0.501 -6.925 2.317
78 2HH1 ARG 9 2HH2 ARG 9 0.030 -5.425 3.001
79 1HH2 ARG 9 1HH1 ARG 9 2.095 -4.630 0.338
80 2HH2 ARG 9 2HH1 ARG 9 1.493 -4.127 1.881
81 H ILE 10 H ILE 10 -1.122 -5.033 -3.112
82 HA ILE 10 HA ILE 10 -0.613 -3.259 -1.041
83 HB ILE 10 HB ILE 10 -0.647 -2.871 -4.033
84 1HG1 ILE 10 2HG1 ILE 10 1.707 -2.748 -2.153
85 2HG1 ILE 10 1HG1 ILE 10 1.071 -4.308 -2.672
86 1HG2 ILE 10 1HG2 ILE 10 -1.001 -0.655 -3.342
87 2HG2 ILE 10 2HG2 ILE 10 0.759 -0.766 -3.348
88 3HG2 ILE 10 3HG2 ILE 10 -0.126 -0.886 -1.828
89 1HD1 ILE 10 1HD1 ILE 10 1.732 -4.009 -4.859
90 2HD1 ILE 10 2HD1 ILE 10 2.966 -3.031 -4.066
91 3HD1 ILE 10 3HD1 ILE 10 1.557 -2.255 -4.787
92 H ASN 11 H ASN 11 -2.917 -2.620 -3.724
93 HA ASN 11 HA ASN 11 -4.089 -0.379 -2.475
94 1HB ASN 11 2HB ASN 11 -6.005 -0.790 -4.079
95 2HB ASN 11 1HB ASN 11 -4.420 -0.610 -4.818
96 1HD2 ASN 11 1HD2 ASN 11 -6.984 -2.197 -5.596
97 2HD2 ASN 11 2HD2 ASN 11 -6.391 -3.747 -5.944
98 H GLU 12 H GLU 12 -4.801 -3.815 -2.230
99 HA GLU 12 HA GLU 12 -7.324 -3.641 -0.989
100 1HB GLU 12 2HB GLU 12 -6.359 -5.754 -1.852
101 2HB GLU 12 1HB GLU 12 -5.174 -5.734 -0.549
102 1HG GLU 12 2HG GLU 12 -7.047 -7.189 0.058
103 2HG GLU 12 1HG GLU 12 -7.027 -5.776 1.109
104 H LEU 13 H LEU 13 -4.047 -3.755 0.395
105 HA LEU 13 HA LEU 13 -4.778 -3.661 3.112
106 1HB LEU 13 2HB LEU 13 -2.506 -4.219 2.365
107 2HB LEU 13 1HB LEU 13 -2.294 -2.589 1.739
108 HG LEU 13 HG LEU 13 -1.292 -3.124 4.063
109 1HD1 LEU 13 1HD1 LEU 13 -3.030 -0.796 4.496
110 2HD1 LEU 13 2HD1 LEU 13 -2.227 -0.794 2.927
111 3HD1 LEU 13 3HD1 LEU 13 -1.272 -0.890 4.406
112 1HD2 LEU 13 1HD2 LEU 13 -2.715 -3.177 5.945
113 2HD2 LEU 13 2HD2 LEU 13 -3.530 -4.225 4.785
114 3HD2 LEU 13 3HD2 LEU 13 -4.097 -2.574 5.033
115 H ALA 14 H ALA 14 -4.024 -1.065 0.802
116 HA ALA 14 HA ALA 14 -4.201 1.132 2.487
117 1HB ALA 14 1HB ALA 14 -4.548 2.446 0.540
118 2HB ALA 14 2HB ALA 14 -5.313 1.110 -0.320
119 3HB ALA 14 3HB ALA 14 -3.582 1.072 0.007
120 H ALA 15 H ALA 15 -6.828 -0.338 0.566
121 HA ALA 15 HA ALA 15 -8.904 1.278 1.593
122 1HB ALA 15 1HB ALA 15 -9.307 0.088 -0.429
123 2HB ALA 15 2HB ALA 15 -10.377 -0.626 0.778
124 3HB ALA 15 3HB ALA 15 -8.892 -1.457 0.315
125 H LYS 16 H LYS 16 -7.515 -1.772 2.694
126 HA LYS 16 HA LYS 16 -9.460 -2.462 4.610
127 1HB LYS 16 2HB LYS 16 -7.768 -4.068 3.941
128 2HB LYS 16 1HB LYS 16 -6.482 -3.024 4.544
129 1HG LYS 16 2HG LYS 16 -7.269 -3.271 6.826
130 2HG LYS 16 1HG LYS 16 -8.692 -4.161 6.283
131 1HD LYS 16 2HD LYS 16 -6.209 -5.346 5.287
132 2HD LYS 16 1HD LYS 16 -6.255 -5.281 7.049
133 1HE LYS 16 2HE LYS 16 -7.271 -7.363 6.392
134 2HE LYS 16 1HE LYS 16 -8.572 -6.301 6.928
135 1HZ LYS 16 1HZ LYS 16 -7.966 -6.000 4.147
136 2HZ LYS 16 2HZ LYS 16 -9.461 -6.272 4.908
137 3HZ LYS 16 3HZ LYS 16 -8.445 -7.582 4.534
138 H ALA 17 H ALA 17 -6.275 -0.964 5.149
139 HA ALA 17 HA ALA 17 -6.715 -0.191 7.808
140 1HB ALA 17 1HB ALA 17 -4.660 0.804 7.669
141 2HB ALA 17 2HB ALA 17 -5.013 1.561 6.116
142 3HB ALA 17 3HB ALA 17 -4.565 -0.144 6.185
143 H LYS 18 H LYS 18 -7.847 1.151 4.819
144 HA LYS 18 HA LYS 18 -8.333 3.806 5.778
145 1HB LYS 18 2HB LYS 18 -8.174 3.074 3.342
146 2HB LYS 18 1HB LYS 18 -9.811 2.446 3.522
147 1HG LYS 18 2HG LYS 18 -10.220 4.607 2.740
148 2HG LYS 18 1HG LYS 18 -10.328 4.834 4.485
149 1HD LYS 18 2HD LYS 18 -8.027 5.637 4.572
150 2HD LYS 18 1HD LYS 18 -7.813 5.297 2.854
151 1HE LYS 18 2HE LYS 18 -9.673 6.917 2.366
152 2HE LYS 18 1HE LYS 18 -9.692 7.336 4.079
153 1HZ LYS 18 1HZ LYS 18 -7.535 8.194 3.962
154 2HZ LYS 18 2HZ LYS 18 -8.299 8.781 2.563
155 3HZ LYS 18 3HZ LYS 18 -7.221 7.473 2.461
156 H ALA 19 H ALA 19 -10.725 1.304 4.874
157 HA ALA 19 HA ALA 19 -12.792 2.550 6.425
158 1HB ALA 19 1HB ALA 19 -12.700 -0.203 5.167
159 2HB ALA 19 2HB ALA 19 -13.287 1.265 4.385
160 3HB ALA 19 3HB ALA 19 -14.143 0.607 5.779
161 H GLY 20 H GLY 20 -10.183 0.668 7.309
162 1HA GLY 20 2HA GLY 20 -11.574 -0.606 9.577
163 2HA GLY 20 1HA GLY 20 -9.951 -0.995 9.012
164 H VAL 21 H VAL 21 -8.301 0.701 9.252
165 HA VAL 21 HA VAL 21 -8.600 2.961 10.897
166 HB VAL 21 HB VAL 21 -9.025 1.604 12.784
167 1HG1 VAL 21 1HG1 VAL 21 -7.062 -0.248 11.489
168 2HG1 VAL 21 2HG1 VAL 21 -8.632 -0.602 12.208
169 3HG1 VAL 21 3HG1 VAL 21 -7.235 -0.304 13.244
170 1HG2 VAL 21 1HG2 VAL 21 -7.169 2.030 14.209
171 2HG2 VAL 21 2HG2 VAL 21 -7.077 3.274 12.963
172 3HG2 VAL 21 3HG2 VAL 21 -6.014 1.869 12.886
173 H ILE 22 H ILE 22 -7.185 3.989 9.574
174 HA ILE 22 HA ILE 22 -4.621 2.750 8.938
175 HB ILE 22 HB ILE 22 -5.844 3.919 7.156
176 1HG1 ILE 22 2HG1 ILE 22 -3.517 5.720 7.659
177 2HG1 ILE 22 1HG1 ILE 22 -3.193 3.988 7.602
178 1HG2 ILE 22 1HG2 ILE 22 -5.393 6.399 8.845
179 2HG2 ILE 22 2HG2 ILE 22 -6.951 5.619 8.580
180 3HG2 ILE 22 3HG2 ILE 22 -6.098 6.363 7.230
181 1HD1 ILE 22 1HD1 ILE 22 -4.339 3.863 5.402
182 2HD1 ILE 22 2HD1 ILE 22 -2.953 4.950 5.363
183 3HD1 ILE 22 3HD1 ILE 22 -4.586 5.609 5.452
184 H THR 23 H THR 23 -2.676 3.382 9.690
185 HA THR 23 HA THR 23 -2.541 5.690 11.520
186 HB THR 23 HB THR 23 -1.283 4.418 13.147
187 HG1 THR 23 HG1 THR 23 -1.721 2.105 11.596
188 1HG2 THR 23 1HG2 THR 23 -3.866 4.275 13.030
189 2HG2 THR 23 2HG2 THR 23 -3.022 3.099 14.035
190 3HG2 THR 23 3HG2 THR 23 -3.606 2.633 12.438
191 H GLU 24 H GLU 24 -0.246 6.307 11.966
192 HA GLU 24 HA GLU 24 1.167 6.893 9.673
193 1HB GLU 24 2HB GLU 24 1.487 7.790 12.061
194 2HB GLU 24 1HB GLU 24 2.546 6.403 12.309
195 1HG GLU 24 2HG GLU 24 3.659 7.212 10.063
196 2HG GLU 24 1HG GLU 24 2.903 8.752 10.467
197 H GLU 25 H GLU 25 1.373 4.029 11.714
198 HA GLU 25 HA GLU 25 3.710 2.884 10.655
199 1HB GLU 25 2HB GLU 25 1.241 1.574 11.820
200 2HB GLU 25 1HB GLU 25 2.748 0.724 11.481
201 1HG GLU 25 2HG GLU 25 2.551 3.152 13.285
202 2HG GLU 25 1HG GLU 25 2.515 1.491 13.871
203 H GLU 26 H GLU 26 0.336 1.981 9.885
204 HA GLU 26 HA GLU 26 1.016 0.415 7.627
205 1HB GLU 26 2HB GLU 26 -1.580 1.725 8.458
206 2HB GLU 26 1HB GLU 26 -1.437 0.654 7.067
207 1HG GLU 26 2HG GLU 26 -0.517 -0.169 9.828
208 2HG GLU 26 1HG GLU 26 -2.171 -0.429 9.277
209 H LYS 27 H LYS 27 -0.039 3.786 7.959
210 HA LYS 27 HA LYS 27 -0.357 4.448 5.273
211 1HB LYS 27 2HB LYS 27 -0.995 5.949 7.094
212 2HB LYS 27 1HB LYS 27 0.700 6.176 7.525
213 1HG LYS 27 2HG LYS 27 1.169 7.366 5.537
214 2HG LYS 27 1HG LYS 27 -0.289 6.779 4.738
215 1HD LYS 27 2HD LYS 27 -0.653 8.350 7.248
216 2HD LYS 27 1HD LYS 27 -0.152 9.236 5.808
217 1HE LYS 27 2HE LYS 27 -2.064 8.415 4.563
218 2HE LYS 27 1HE LYS 27 -2.520 7.345 5.889
219 1HZ LYS 27 1HZ LYS 27 -2.305 10.271 6.248
220 2HZ LYS 27 2HZ LYS 27 -3.109 9.140 7.230
221 3HZ LYS 27 3HZ LYS 27 -3.736 9.544 5.703
222 H ALA 28 H ALA 28 2.599 4.465 7.254
223 HA ALA 28 HA ALA 28 4.319 5.520 5.265
224 1HB ALA 28 1HB ALA 28 6.137 4.683 6.657
225 2HB ALA 28 2HB ALA 28 5.016 3.650 7.544
226 3HB ALA 28 3HB ALA 28 4.895 5.403 7.680
227 H GLU 29 H GLU 29 3.324 2.239 6.102
228 HA GLU 29 HA GLU 29 5.110 0.796 4.499
229 1HB GLU 29 2HB GLU 29 3.416 -0.054 6.250
230 2HB GLU 29 1HB GLU 29 2.253 -0.050 4.925
231 1HG GLU 29 2HG GLU 29 3.060 -2.180 4.634
232 2HG GLU 29 1HG GLU 29 4.279 -1.322 3.692
233 H GLN 30 H GLN 30 1.690 1.470 3.718
234 HA GLN 30 HA GLN 30 1.699 0.658 1.090
235 1HB GLN 30 2HB GLN 30 -0.154 2.343 0.750
236 2HB GLN 30 1HB GLN 30 -0.378 1.244 2.109
237 1HG GLN 30 2HG GLN 30 0.532 2.987 3.633
238 2HG GLN 30 1HG GLN 30 0.658 4.090 2.267
239 1HE2 GLN 30 1HE2 GLN 30 -1.918 1.834 3.433
240 2HE2 GLN 30 2HE2 GLN 30 -3.153 2.999 3.384
241 H GLN 31 H GLN 31 2.758 3.779 2.390
242 HA GLN 31 HA GLN 31 3.080 5.159 -0.032
243 1HB GLN 31 2HB GLN 31 3.224 6.194 2.226
244 2HB GLN 31 1HB GLN 31 4.792 5.420 2.450
245 1HG GLN 31 2HG GLN 31 5.620 6.581 0.401
246 2HG GLN 31 1HG GLN 31 4.072 7.416 0.282
247 1HE2 GLN 31 1HE2 GLN 31 6.432 8.931 0.599
248 2HE2 GLN 31 2HE2 GLN 31 6.447 9.622 2.149
249 H LYS 32 H LYS 32 5.401 3.148 1.779
250 HA LYS 32 HA LYS 32 7.581 3.460 0.024
251 1HB LYS 32 2HB LYS 32 7.702 2.467 2.321
252 2HB LYS 32 1HB LYS 32 6.922 1.016 1.692
253 1HG LYS 32 2HG LYS 32 8.760 0.636 0.143
254 2HG LYS 32 1HG LYS 32 9.513 2.163 0.606
255 1HD LYS 32 2HD LYS 32 9.995 1.368 2.810
256 2HD LYS 32 1HD LYS 32 8.960 -0.045 2.600
257 1HE LYS 32 2HE LYS 32 10.514 -1.167 1.316
258 2HE LYS 32 1HE LYS 32 11.203 0.318 0.661
259 1HZ LYS 32 1HZ LYS 32 11.901 -1.139 3.050
260 2HZ LYS 32 2HZ LYS 32 11.756 0.538 3.283
261 3HZ LYS 32 3HZ LYS 32 12.833 -0.071 2.118
262 H LEU 33 H LEU 33 5.297 0.726 0.276
263 HA LEU 33 HA LEU 33 6.121 -0.661 -2.003
264 1HB LEU 33 2HB LEU 33 3.338 -0.493 -0.820
265 2HB LEU 33 1HB LEU 33 3.909 -1.738 -1.933
266 HG LEU 33 HG LEU 33 5.158 -1.167 0.773
267 1HD1 LEU 33 1HD1 LEU 33 3.928 -2.936 1.682
268 2HD1 LEU 33 2HD1 LEU 33 3.561 -3.625 0.100
269 3HD1 LEU 33 3HD1 LEU 33 2.735 -2.163 0.638
270 1HD2 LEU 33 1HD2 LEU 33 5.920 -3.668 0.125
271 2HD2 LEU 33 2HD2 LEU 33 6.849 -2.249 -0.358
272 3HD2 LEU 33 3HD2 LEU 33 5.742 -3.011 -1.501
273 H ARG 34 H ARG 34 3.824 2.000 -1.658
274 HA ARG 34 HA ARG 34 2.707 1.966 -4.232
275 1HB ARG 34 2HB ARG 34 3.100 4.071 -2.139
276 2HB ARG 34 1HB ARG 34 2.565 4.558 -3.746
277 1HG ARG 34 2HG ARG 34 1.179 2.226 -2.510
278 2HG ARG 34 1HG ARG 34 0.830 3.818 -1.835
279 1HD ARG 34 2HD ARG 34 0.114 4.658 -3.964
280 2HD ARG 34 1HD ARG 34 0.725 3.233 -4.800
281 HE ARG 34 HE ARG 34 -1.266 2.572 -2.834
282 1HH1 ARG 34 1HH2 ARG 34 -0.704 3.743 -6.047
283 2HH1 ARG 34 2HH2 ARG 34 -2.240 3.222 -6.651
284 1HH2 ARG 34 1HH1 ARG 34 -3.282 1.898 -3.619
285 2HH2 ARG 34 2HH1 ARG 34 -3.702 2.179 -5.276
286 H GLN 35 H GLN 35 5.641 3.505 -2.990
287 HA GLN 35 HA GLN 35 6.351 4.922 -5.324
288 1HB GLN 35 2HB GLN 35 7.348 5.314 -3.088
289 2HB GLN 35 1HB GLN 35 8.173 3.762 -3.199
290 1HG GLN 35 2HG GLN 35 9.589 4.490 -4.921
291 2HG GLN 35 1HG GLN 35 8.510 5.806 -5.384
292 1HE2 GLN 35 1HE2 GLN 35 8.700 7.819 -4.242
293 2HE2 GLN 35 2HE2 GLN 35 9.901 8.099 -3.076
294 H GLU 36 H GLU 36 7.064 1.632 -4.229
295 HA GLU 36 HA GLU 36 8.874 0.953 -6.305
296 1HB GLU 36 2HB GLU 36 8.555 -0.308 -4.144
297 2HB GLU 36 1HB GLU 36 7.043 -0.928 -4.802
298 1HG GLU 36 2HG GLU 36 8.664 -2.600 -5.298
299 2HG GLU 36 1HG GLU 36 8.406 -1.738 -6.812
300 H TYR 37 H TYR 37 5.366 0.552 -5.941
301 HA TYR 37 HA TYR 37 4.800 -0.953 -8.197
302 1HB TYR 37 2HB TYR 37 3.094 -0.428 -6.548
303 2HB TYR 37 1HB TYR 37 3.172 1.284 -6.968
304 HD1 TYR 37 HD1 TYR 37 2.744 -2.031 -8.694
305 HD2 TYR 37 HD2 TYR 37 1.563 2.093 -8.447
306 HE1 TYR 37 HE1 TYR 37 1.093 -2.393 -10.509
307 HE2 TYR 37 HE2 TYR 37 -0.088 1.729 -10.261
308 HH TYR 37 HH TYR 37 -1.399 -0.422 -11.146
309 H LEU 38 H LEU 38 5.355 2.539 -7.956
310 HA LEU 38 HA LEU 38 4.550 3.284 -10.534
311 1HB LEU 38 2HB LEU 38 6.953 4.547 -9.242
312 2HB LEU 38 1HB LEU 38 5.674 5.304 -10.189
313 HG LEU 38 HG LEU 38 5.459 4.217 -7.369
314 1HD1 LEU 38 1HD1 LEU 38 4.939 6.527 -6.792
315 2HD1 LEU 38 2HD1 LEU 38 5.014 6.997 -8.490
316 3HD1 LEU 38 3HD1 LEU 38 6.477 6.474 -7.654
317 1HD2 LEU 38 1HD2 LEU 38 3.076 5.317 -7.688
318 2HD2 LEU 38 2HD2 LEU 38 3.358 3.660 -8.218
319 3HD2 LEU 38 3HD2 LEU 38 3.372 4.975 -9.392
320 H LYS 39 H LYS 39 7.895 2.662 -9.442
321 HA LYS 39 HA LYS 39 8.985 2.578 -12.060
322 1HB LYS 39 2HB LYS 39 10.053 1.387 -9.486
323 2HB LYS 39 1HB LYS 39 10.982 1.638 -10.964
324 1HG LYS 39 2HG LYS 39 10.944 3.970 -10.752
325 2HG LYS 39 1HG LYS 39 9.526 3.951 -9.705
326 1HD LYS 39 2HD LYS 39 11.505 4.474 -8.373
327 2HD LYS 39 1HD LYS 39 10.900 2.882 -7.919
328 1HE LYS 39 2HE LYS 39 12.629 1.761 -9.076
329 2HE LYS 39 1HE LYS 39 13.030 3.187 -10.034
330 1HZ LYS 39 1HZ LYS 39 13.555 4.218 -7.747
331 2HZ LYS 39 2HZ LYS 39 14.682 3.165 -8.456
332 3HZ LYS 39 3HZ LYS 39 13.659 2.610 -7.218
333 H GLY 40 H GLY 40 7.095 0.351 -10.328
334 1HA GLY 40 2HA GLY 40 8.146 -2.011 -11.695
335 2HA GLY 40 1HA GLY 40 6.875 -1.984 -10.476
336 H PHE 41 H PHE 41 5.766 0.398 -12.183
337 HA PHE 41 HA PHE 41 3.773 -1.096 -13.528
338 1HB PHE 41 2HB PHE 41 3.439 1.214 -12.696
339 2HB PHE 41 1HB PHE 41 4.539 1.807 -13.937
340 HD1 PHE 41 HD1 PHE 41 3.612 2.532 -15.960
341 HD2 PHE 41 HD2 PHE 41 1.512 -0.395 -13.618
342 HE1 PHE 41 HE1 PHE 41 1.738 2.578 -17.582
343 HE2 PHE 41 HE2 PHE 41 -0.361 -0.348 -15.242
344 HZ PHE 41 HZ PHE 41 -0.248 1.137 -17.223
345 H ARG 42 H ARG 42 5.551 1.354 -15.341
346 HA ARG 42 HA ARG 42 5.816 -0.548 -17.563
347 1HB ARG 42 2HB ARG 42 4.810 1.743 -17.917
348 2HB ARG 42 1HB ARG 42 6.400 2.423 -17.566
349 1HG ARG 42 2HG ARG 42 7.387 1.250 -19.446
350 2HG ARG 42 1HG ARG 42 5.888 0.366 -19.736
351 1HD ARG 42 2HD ARG 42 4.737 2.530 -20.188
352 2HD ARG 42 1HD ARG 42 6.276 3.363 -19.986
353 HE ARG 42 HE ARG 42 6.879 2.646 -22.107
354 1HH1 ARG 42 1HH2 ARG 42 4.201 0.794 -20.909
355 2HH1 ARG 42 2HH2 ARG 42 3.932 -0.035 -22.405
356 1HH2 ARG 42 1HH1 ARG 42 6.525 1.561 -24.064
357 2HH2 ARG 42 2HH1 ARG 42 5.246 0.399 -24.190
Start of MODEL 7
1 1H MET 1 1HT MET 1 2.101 -6.955 -17.957
2 2H MET 1 2HT MET 1 2.992 -6.447 -16.602
3 3H MET 1 3HT MET 1 1.940 -5.365 -17.387
4 HA MET 1 HA MET 1 0.569 -5.926 -15.705
5 1HB MET 1 2HB MET 1 0.324 -8.137 -17.754
6 2HB MET 1 1HB MET 1 -0.795 -7.993 -16.398
7 1HG MET 1 2HG MET 1 -1.385 -5.715 -17.099
8 2HG MET 1 1HG MET 1 -0.235 -5.816 -18.435
9 1HE MET 1 1HE MET 1 -4.100 -5.749 -18.932
10 2HE MET 1 2HE MET 1 -3.084 -5.560 -20.359
11 3HE MET 1 3HE MET 1 -2.603 -4.812 -18.840
12 H ILE 2 H ILE 2 0.420 -6.917 -13.738
13 HA ILE 2 HA ILE 2 2.243 -9.200 -13.243
14 HB ILE 2 HB ILE 2 1.395 -7.036 -11.298
15 1HG1 ILE 2 2HG1 ILE 2 3.005 -6.446 -13.273
16 2HG1 ILE 2 1HG1 ILE 2 3.478 -5.995 -11.638
17 1HG2 ILE 2 1HG2 ILE 2 1.865 -9.014 -10.072
18 2HG2 ILE 2 2HG2 ILE 2 3.354 -8.074 -9.996
19 3HG2 ILE 2 3HG2 ILE 2 3.225 -9.435 -11.111
20 1HD1 ILE 2 1HD1 ILE 2 4.307 -8.685 -12.670
21 2HD1 ILE 2 2HD1 ILE 2 5.117 -7.632 -11.510
22 3HD1 ILE 2 3HD1 ILE 2 5.177 -7.258 -13.232
23 H SER 3 H SER 3 -0.554 -7.615 -11.692
24 HA SER 3 HA SER 3 -2.346 -8.480 -10.544
25 1HB SER 3 2HB SER 3 -3.721 -9.984 -11.838
26 2HB SER 3 1HB SER 3 -2.972 -8.828 -12.933
27 HG SER 3 HG SER 3 -2.884 -11.417 -13.099
28 H ASN 4 H ASN 4 -1.303 -9.205 -8.666
29 HA ASN 4 HA ASN 4 -1.546 -12.017 -8.169
30 1HB ASN 4 2HB ASN 4 0.773 -12.510 -7.669
31 2HB ASN 4 1HB ASN 4 0.650 -11.951 -9.334
32 1HD2 ASN 4 1HD2 ASN 4 0.208 -9.092 -8.035
33 2HD2 ASN 4 2HD2 ASN 4 1.798 -8.593 -7.720
34 H ALA 5 H ALA 5 0.329 -12.047 -5.974
35 HA ALA 5 HA ALA 5 -1.269 -11.135 -3.881
36 1HB ALA 5 1HB ALA 5 1.730 -11.455 -3.724
37 2HB ALA 5 2HB ALA 5 0.621 -12.825 -3.771
38 3HB ALA 5 3HB ALA 5 0.548 -11.678 -2.434
39 H LYS 6 H LYS 6 1.185 -9.465 -5.732
40 HA LYS 6 HA LYS 6 1.619 -7.309 -3.927
41 1HB LYS 6 2HB LYS 6 2.965 -8.074 -6.051
42 2HB LYS 6 1HB LYS 6 1.873 -6.977 -6.896
43 1HG LYS 6 2HG LYS 6 2.524 -5.297 -4.982
44 2HG LYS 6 1HG LYS 6 3.923 -6.353 -4.788
45 1HD LYS 6 2HD LYS 6 4.500 -6.062 -7.158
46 2HD LYS 6 1HD LYS 6 3.078 -5.045 -7.392
47 1HE LYS 6 2HE LYS 6 4.021 -3.528 -5.572
48 2HE LYS 6 1HE LYS 6 5.516 -4.453 -5.703
49 1HZ LYS 6 1HZ LYS 6 5.215 -3.957 -8.220
50 2HZ LYS 6 2HZ LYS 6 5.882 -2.775 -7.197
51 3HZ LYS 6 3HZ LYS 6 4.252 -2.675 -7.668
52 H ILE 7 H ILE 7 -0.257 -7.422 -6.974
53 HA ILE 7 HA ILE 7 -1.455 -4.907 -6.733
54 HB ILE 7 HB ILE 7 -2.605 -7.397 -8.019
55 1HG1 ILE 7 2HG1 ILE 7 -0.398 -6.886 -8.926
56 2HG1 ILE 7 1HG1 ILE 7 -1.620 -6.406 -10.103
57 1HG2 ILE 7 1HG2 ILE 7 -3.691 -5.552 -9.482
58 2HG2 ILE 7 2HG2 ILE 7 -3.304 -4.463 -8.149
59 3HG2 ILE 7 3HG2 ILE 7 -4.374 -5.839 -7.882
60 1HD1 ILE 7 1HD1 ILE 7 -1.457 -4.074 -8.868
61 2HD1 ILE 7 2HD1 ILE 7 -0.258 -4.517 -10.081
62 3HD1 ILE 7 3HD1 ILE 7 0.121 -4.683 -8.367
63 H ALA 8 H ALA 8 -2.781 -8.088 -5.823
64 HA ALA 8 HA ALA 8 -5.189 -7.197 -4.715
65 1HB ALA 8 1HB ALA 8 -5.007 -9.362 -3.345
66 2HB ALA 8 2HB ALA 8 -3.476 -9.623 -4.178
67 3HB ALA 8 3HB ALA 8 -4.975 -9.521 -5.101
68 H ARG 9 H ARG 9 -1.956 -7.367 -3.297
69 HA ARG 9 HA ARG 9 -2.748 -6.935 -0.605
70 1HB ARG 9 2HB ARG 9 -0.517 -7.737 -1.059
71 2HB ARG 9 1HB ARG 9 -0.151 -6.314 -2.035
72 1HG ARG 9 2HG ARG 9 -0.217 -4.871 -0.123
73 2HG ARG 9 1HG ARG 9 -0.927 -6.131 0.886
74 1HD ARG 9 2HD ARG 9 1.809 -6.364 -0.389
75 2HD ARG 9 1HD ARG 9 1.550 -5.759 1.246
76 HE ARG 9 HE ARG 9 0.244 -8.238 1.022
77 1HH1 ARG 9 1HH2 ARG 9 3.435 -6.883 0.963
78 2HH1 ARG 9 2HH2 ARG 9 4.198 -8.313 1.569
79 1HH2 ARG 9 1HH1 ARG 9 1.243 -10.109 1.816
80 2HH2 ARG 9 2HH1 ARG 9 2.959 -10.141 2.047
81 H ILE 10 H ILE 10 -1.572 -4.692 -3.106
82 HA ILE 10 HA ILE 10 -1.669 -2.319 -1.698
83 HB ILE 10 HB ILE 10 -2.234 -2.858 -4.617
84 1HG1 ILE 10 2HG1 ILE 10 0.214 -1.584 -3.396
85 2HG1 ILE 10 1HG1 ILE 10 0.055 -3.339 -3.447
86 1HG2 ILE 10 1HG2 ILE 10 -1.636 -0.384 -4.840
87 2HG2 ILE 10 2HG2 ILE 10 -1.895 -0.257 -3.099
88 3HG2 ILE 10 3HG2 ILE 10 -3.226 -0.725 -4.158
89 1HD1 ILE 10 1HD1 ILE 10 1.270 -2.382 -5.427
90 2HD1 ILE 10 2HD1 ILE 10 -0.216 -1.549 -5.878
91 3HD1 ILE 10 3HD1 ILE 10 -0.163 -3.312 -5.860
92 H ASN 11 H ASN 11 -4.268 -3.314 -3.963
93 HA ASN 11 HA ASN 11 -6.102 -1.381 -3.117
94 1HB ASN 11 2HB ASN 11 -7.837 -2.869 -4.157
95 2HB ASN 11 1HB ASN 11 -6.472 -2.501 -5.201
96 1HD2 ASN 11 1HD2 ASN 11 -8.119 -4.808 -5.617
97 2HD2 ASN 11 2HD2 ASN 11 -7.182 -6.189 -5.311
98 H GLU 12 H GLU 12 -5.769 -4.764 -2.037
99 HA GLU 12 HA GLU 12 -7.975 -4.799 -0.294
100 1HB GLU 12 2HB GLU 12 -6.717 -6.814 -1.010
101 2HB GLU 12 1HB GLU 12 -5.369 -6.306 0.007
102 1HG GLU 12 2HG GLU 12 -6.752 -6.452 2.000
103 2HG GLU 12 1HG GLU 12 -8.179 -6.804 1.028
104 H LEU 13 H LEU 13 -4.534 -4.465 0.613
105 HA LEU 13 HA LEU 13 -4.973 -3.758 3.287
106 1HB LEU 13 2HB LEU 13 -2.775 -4.302 1.813
107 2HB LEU 13 1HB LEU 13 -2.622 -2.551 1.935
108 HG LEU 13 HG LEU 13 -2.983 -4.453 4.274
109 1HD1 LEU 13 1HD1 LEU 13 -0.756 -4.596 3.168
110 2HD1 LEU 13 2HD1 LEU 13 -0.650 -3.922 4.793
111 3HD1 LEU 13 3HD1 LEU 13 -0.557 -2.857 3.391
112 1HD2 LEU 13 1HD2 LEU 13 -2.238 -2.272 5.497
113 2HD2 LEU 13 2HD2 LEU 13 -3.915 -2.405 4.972
114 3HD2 LEU 13 3HD2 LEU 13 -2.767 -1.455 4.028
115 H ALA 14 H ALA 14 -4.509 -1.672 0.434
116 HA ALA 14 HA ALA 14 -4.501 0.802 1.712
117 1HB ALA 14 1HB ALA 14 -5.282 1.729 -0.448
118 2HB ALA 14 2HB ALA 14 -5.630 0.093 -1.005
119 3HB ALA 14 3HB ALA 14 -3.969 0.570 -0.655
120 H ALA 15 H ALA 15 -7.328 -0.687 0.106
121 HA ALA 15 HA ALA 15 -9.217 1.143 1.073
122 1HB ALA 15 1HB ALA 15 -10.860 -0.321 0.236
123 2HB ALA 15 2HB ALA 15 -9.860 -1.745 0.515
124 3HB ALA 15 3HB ALA 15 -9.454 -0.624 -0.784
125 H LYS 16 H LYS 16 -8.030 -1.884 2.468
126 HA LYS 16 HA LYS 16 -9.910 -2.102 4.562
127 1HB LYS 16 2HB LYS 16 -8.327 -3.912 3.826
128 2HB LYS 16 1HB LYS 16 -7.027 -3.025 4.625
129 1HG LYS 16 2HG LYS 16 -8.452 -3.088 6.739
130 2HG LYS 16 1HG LYS 16 -9.493 -4.236 5.897
131 1HD LYS 16 2HD LYS 16 -7.619 -5.772 5.592
132 2HD LYS 16 1HD LYS 16 -6.513 -4.607 6.322
133 1HE LYS 16 2HE LYS 16 -7.891 -4.712 8.423
134 2HE LYS 16 1HE LYS 16 -8.833 -6.007 7.683
135 1HZ LYS 16 1HZ LYS 16 -5.886 -6.122 7.942
136 2HZ LYS 16 2HZ LYS 16 -6.954 -7.392 7.580
137 3HZ LYS 16 3HZ LYS 16 -6.929 -6.717 9.139
138 H ALA 17 H ALA 17 -6.503 -1.088 4.829
139 HA ALA 17 HA ALA 17 -6.706 0.026 7.387
140 1HB ALA 17 1HB ALA 17 -4.551 0.886 7.033
141 2HB ALA 17 2HB ALA 17 -4.817 1.096 5.302
142 3HB ALA 17 3HB ALA 17 -4.607 -0.521 5.973
143 H LYS 18 H LYS 18 -7.779 1.204 4.331
144 HA LYS 18 HA LYS 18 -7.827 4.001 5.086
145 1HB LYS 18 2HB LYS 18 -7.605 3.346 2.727
146 2HB LYS 18 1HB LYS 18 -9.183 2.562 2.789
147 1HG LYS 18 2HG LYS 18 -10.266 4.699 3.267
148 2HG LYS 18 1HG LYS 18 -8.699 5.507 3.338
149 1HD LYS 18 2HD LYS 18 -8.289 4.903 0.969
150 2HD LYS 18 1HD LYS 18 -9.873 4.132 0.899
151 1HE LYS 18 2HE LYS 18 -9.313 7.069 1.409
152 2HE LYS 18 1HE LYS 18 -10.064 6.370 -0.026
153 1HZ LYS 18 1HZ LYS 18 -11.756 7.228 1.409
154 2HZ LYS 18 2HZ LYS 18 -11.154 6.350 2.734
155 3HZ LYS 18 3HZ LYS 18 -11.854 5.535 1.418
156 H ALA 19 H ALA 19 -10.306 1.496 4.541
157 HA ALA 19 HA ALA 19 -12.442 3.113 5.559
158 1HB ALA 19 1HB ALA 19 -13.110 1.468 4.020
159 2HB ALA 19 2HB ALA 19 -13.631 0.819 5.574
160 3HB ALA 19 3HB ALA 19 -12.162 0.211 4.813
161 H GLY 20 H GLY 20 -9.900 1.674 7.128
162 1HA GLY 20 2HA GLY 20 -11.458 0.933 9.516
163 2HA GLY 20 1HA GLY 20 -9.759 0.567 9.237
164 H VAL 21 H VAL 21 -8.246 2.422 9.234
165 HA VAL 21 HA VAL 21 -9.087 4.908 10.446
166 HB VAL 21 HB VAL 21 -7.475 4.616 12.399
167 1HG1 VAL 21 1HG1 VAL 21 -9.167 3.786 13.808
168 2HG1 VAL 21 2HG1 VAL 21 -9.785 2.688 12.576
169 3HG1 VAL 21 3HG1 VAL 21 -10.061 4.424 12.429
170 1HG2 VAL 21 1HG2 VAL 21 -6.237 2.677 11.754
171 2HG2 VAL 21 2HG2 VAL 21 -7.706 1.749 11.452
172 3HG2 VAL 21 3HG2 VAL 21 -7.250 2.166 13.103
173 H ILE 22 H ILE 22 -6.364 2.753 9.768
174 HA ILE 22 HA ILE 22 -4.371 3.074 8.708
175 HB ILE 22 HB ILE 22 -6.125 4.856 7.397
176 1HG1 ILE 22 2HG1 ILE 22 -3.296 4.091 6.615
177 2HG1 ILE 22 1HG1 ILE 22 -4.673 2.996 6.492
178 1HG2 ILE 22 1HG2 ILE 22 -4.550 6.691 6.759
179 2HG2 ILE 22 2HG2 ILE 22 -3.445 6.143 8.019
180 3HG2 ILE 22 3HG2 ILE 22 -5.036 6.770 8.452
181 1HD1 ILE 22 1HD1 ILE 22 -5.815 4.772 5.074
182 2HD1 ILE 22 2HD1 ILE 22 -4.411 4.006 4.331
183 3HD1 ILE 22 3HD1 ILE 22 -4.268 5.616 5.032
184 H THR 23 H THR 23 -2.564 3.401 9.784
185 HA THR 23 HA THR 23 -2.302 5.840 11.442
186 HB THR 23 HB THR 23 -1.235 4.590 13.158
187 HG1 THR 23 HG1 THR 23 -0.159 2.864 12.696
188 1HG2 THR 23 1HG2 THR 23 -3.804 4.269 12.733
189 2HG2 THR 23 2HG2 THR 23 -2.991 3.244 13.915
190 3HG2 THR 23 3HG2 THR 23 -3.341 2.622 12.303
191 H GLU 24 H GLU 24 0.070 6.246 12.005
192 HA GLU 24 HA GLU 24 1.540 6.841 9.736
193 1HB GLU 24 2HB GLU 24 2.634 6.242 12.496
194 2HB GLU 24 1HB GLU 24 3.461 7.146 11.230
195 1HG GLU 24 2HG GLU 24 2.106 9.001 11.471
196 2HG GLU 24 1HG GLU 24 0.726 8.055 12.024
197 H GLU 25 H GLU 25 1.741 3.968 11.805
198 HA GLU 25 HA GLU 25 3.935 2.722 10.569
199 1HB GLU 25 2HB GLU 25 1.535 1.441 11.904
200 2HB GLU 25 1HB GLU 25 3.068 0.641 11.561
201 1HG GLU 25 2HG GLU 25 3.398 1.294 13.769
202 2HG GLU 25 1HG GLU 25 4.092 2.665 12.907
203 H GLU 26 H GLU 26 0.445 2.306 9.986
204 HA GLU 26 HA GLU 26 0.709 0.479 7.836
205 1HB GLU 26 2HB GLU 26 -1.570 2.425 8.256
206 2HB GLU 26 1HB GLU 26 -1.624 0.866 7.433
207 1HG GLU 26 2HG GLU 26 -1.032 1.274 10.380
208 2HG GLU 26 1HG GLU 26 -2.565 0.715 9.717
209 H LYS 27 H LYS 27 0.068 3.978 7.872
210 HA LYS 27 HA LYS 27 0.003 4.452 5.135
211 1HB LYS 27 2HB LYS 27 -0.485 6.050 7.078
212 2HB LYS 27 1HB LYS 27 1.252 6.354 7.114
213 1HG LYS 27 2HG LYS 27 1.109 6.917 4.648
214 2HG LYS 27 1HG LYS 27 -0.647 6.837 4.803
215 1HD LYS 27 2HD LYS 27 1.174 8.667 6.401
216 2HD LYS 27 1HD LYS 27 0.168 9.161 5.040
217 1HE LYS 27 2HE LYS 27 -1.317 9.659 6.717
218 2HE LYS 27 1HE LYS 27 -1.714 7.949 6.551
219 1HZ LYS 27 1HZ LYS 27 0.279 9.061 8.451
220 2HZ LYS 27 2HZ LYS 27 -0.177 7.429 8.314
221 3HZ LYS 27 3HZ LYS 27 -1.295 8.584 8.860
222 H ALA 28 H ALA 28 2.802 4.349 7.323
223 HA ALA 28 HA ALA 28 4.760 5.164 5.469
224 1HB ALA 28 1HB ALA 28 5.462 5.147 7.709
225 2HB ALA 28 2HB ALA 28 6.300 3.759 7.013
226 3HB ALA 28 3HB ALA 28 4.849 3.516 7.986
227 H GLU 29 H GLU 29 3.465 1.960 6.260
228 HA GLU 29 HA GLU 29 5.213 0.391 4.736
229 1HB GLU 29 2HB GLU 29 3.259 -0.259 6.377
230 2HB GLU 29 1HB GLU 29 2.297 -0.299 4.900
231 1HG GLU 29 2HG GLU 29 4.832 -1.874 5.443
232 2HG GLU 29 1HG GLU 29 3.198 -2.524 5.334
233 H GLN 30 H GLN 30 1.938 1.456 3.812
234 HA GLN 30 HA GLN 30 1.908 0.658 1.181
235 1HB GLN 30 2HB GLN 30 0.752 3.281 2.137
236 2HB GLN 30 1HB GLN 30 0.170 2.263 0.820
237 1HG GLN 30 2HG GLN 30 0.114 0.477 2.871
238 2HG GLN 30 1HG GLN 30 -0.212 1.973 3.745
239 1HE2 GLN 30 1HE2 GLN 30 -1.246 0.532 0.589
240 2HE2 GLN 30 2HE2 GLN 30 -2.888 0.904 0.802
241 H GLN 31 H GLN 31 3.389 3.557 2.546
242 HA GLN 31 HA GLN 31 3.925 4.979 0.209
243 1HB GLN 31 2HB GLN 31 4.293 5.693 2.637
244 2HB GLN 31 1HB GLN 31 5.831 4.834 2.543
245 1HG GLN 31 2HG GLN 31 6.531 6.220 0.657
246 2HG GLN 31 1HG GLN 31 4.966 7.033 0.642
247 1HE2 GLN 31 1HE2 GLN 31 8.093 6.923 2.203
248 2HE2 GLN 31 2HE2 GLN 31 7.812 8.198 3.289
249 H LYS 32 H LYS 32 5.876 2.459 1.796
250 HA LYS 32 HA LYS 32 8.101 2.568 0.096
251 1HB LYS 32 2HB LYS 32 7.866 1.286 2.282
252 2HB LYS 32 1HB LYS 32 7.031 0.040 1.357
253 1HG LYS 32 2HG LYS 32 9.184 -0.765 1.171
254 2HG LYS 32 1HG LYS 32 9.179 0.315 -0.224
255 1HD LYS 32 2HD LYS 32 10.016 2.129 1.419
256 2HD LYS 32 1HD LYS 32 10.373 0.788 2.509
257 1HE LYS 32 2HE LYS 32 11.598 -0.248 0.453
258 2HE LYS 32 1HE LYS 32 11.573 1.395 -0.187
259 1HZ LYS 32 1HZ LYS 32 13.359 1.775 1.045
260 2HZ LYS 32 2HZ LYS 32 13.220 0.282 1.844
261 3HZ LYS 32 3HZ LYS 32 12.384 1.643 2.427
262 H LEU 33 H LEU 33 5.420 0.194 -0.038
263 HA LEU 33 HA LEU 33 6.138 -0.950 -2.492
264 1HB LEU 33 2HB LEU 33 3.284 -0.685 -1.557
265 2HB LEU 33 1HB LEU 33 4.008 -1.982 -2.502
266 HG LEU 33 HG LEU 33 4.505 -1.343 0.419
267 1HD1 LEU 33 1HD1 LEU 33 2.492 -2.651 0.001
268 2HD1 LEU 33 2HD1 LEU 33 3.727 -3.706 0.686
269 3HD1 LEU 33 3HD1 LEU 33 3.386 -3.754 -1.045
270 1HD2 LEU 33 1HD2 LEU 33 6.003 -3.424 0.255
271 2HD2 LEU 33 2HD2 LEU 33 6.655 -1.939 -0.436
272 3HD2 LEU 33 3HD2 LEU 33 5.974 -3.177 -1.492
273 H ARG 34 H ARG 34 3.608 1.503 -1.884
274 HA ARG 34 HA ARG 34 2.796 1.979 -4.476
275 1HB ARG 34 2HB ARG 34 3.035 3.831 -2.109
276 2HB ARG 34 1HB ARG 34 2.366 4.369 -3.648
277 1HG ARG 34 2HG ARG 34 0.654 2.626 -3.560
278 2HG ARG 34 1HG ARG 34 1.352 1.982 -2.073
279 1HD ARG 34 2HD ARG 34 -0.673 3.524 -1.794
280 2HD ARG 34 1HD ARG 34 0.745 3.915 -0.826
281 HE ARG 34 HE ARG 34 0.977 5.352 -3.206
282 1HH1 ARG 34 1HH2 ARG 34 -1.187 5.110 -0.510
283 2HH1 ARG 34 2HH2 ARG 34 -1.676 6.770 -0.582
284 1HH2 ARG 34 1HH1 ARG 34 0.340 7.525 -3.299
285 2HH2 ARG 34 2HH1 ARG 34 -0.815 8.136 -2.161
286 H GLN 35 H GLN 35 5.576 3.384 -2.780
287 HA GLN 35 HA GLN 35 6.347 5.220 -4.773
288 1HB GLN 35 2HB GLN 35 7.241 5.291 -2.492
289 2HB GLN 35 1HB GLN 35 8.062 3.752 -2.751
290 1HG GLN 35 2HG GLN 35 8.576 5.989 -4.679
291 2HG GLN 35 1HG GLN 35 9.345 6.052 -3.095
292 1HE2 GLN 35 1HE2 GLN 35 10.145 5.214 -6.111
293 2HE2 GLN 35 2HE2 GLN 35 11.131 3.863 -5.823
294 H GLU 36 H GLU 36 7.233 1.820 -4.254
295 HA GLU 36 HA GLU 36 9.129 1.661 -6.360
296 1HB GLU 36 2HB GLU 36 8.705 0.012 -4.407
297 2HB GLU 36 1HB GLU 36 7.460 -0.672 -5.454
298 1HG GLU 36 2HG GLU 36 9.303 -0.736 -7.273
299 2HG GLU 36 1HG GLU 36 10.433 -0.505 -5.941
300 H TYR 37 H TYR 37 5.635 1.140 -6.214
301 HA TYR 37 HA TYR 37 5.184 -0.049 -8.683
302 1HB TYR 37 2HB TYR 37 3.444 0.372 -6.939
303 2HB TYR 37 1HB TYR 37 3.445 2.074 -7.401
304 HD1 TYR 37 HD1 TYR 37 2.915 -1.375 -8.741
305 HD2 TYR 37 HD2 TYR 37 2.196 2.830 -9.262
306 HE1 TYR 37 HE1 TYR 37 1.351 -1.872 -10.599
307 HE2 TYR 37 HE2 TYR 37 0.635 2.332 -11.121
308 HH TYR 37 HH TYR 37 0.502 0.025 -12.841
309 H LEU 38 H LEU 38 5.798 3.328 -7.899
310 HA LEU 38 HA LEU 38 5.144 4.484 -10.377
311 1HB LEU 38 2HB LEU 38 7.421 5.444 -8.649
312 2HB LEU 38 1HB LEU 38 6.326 6.396 -9.650
313 HG LEU 38 HG LEU 38 5.646 4.939 -7.080
314 1HD1 LEU 38 1HD1 LEU 38 5.246 7.116 -6.184
315 2HD1 LEU 38 2HD1 LEU 38 5.333 7.864 -7.779
316 3HD1 LEU 38 3HD1 LEU 38 6.793 7.220 -7.026
317 1HD2 LEU 38 1HD2 LEU 38 3.891 6.231 -9.176
318 2HD2 LEU 38 2HD2 LEU 38 3.366 6.077 -7.500
319 3HD2 LEU 38 3HD2 LEU 38 3.724 4.634 -8.446
320 H LYS 39 H LYS 39 8.060 2.866 -9.241
321 HA LYS 39 HA LYS 39 9.732 3.540 -11.439
322 1HB LYS 39 2HB LYS 39 10.507 2.634 -9.215
323 2HB LYS 39 1HB LYS 39 9.901 1.056 -9.719
324 1HG LYS 39 2HG LYS 39 11.352 1.379 -11.832
325 2HG LYS 39 1HG LYS 39 12.144 2.673 -10.932
326 1HD LYS 39 2HD LYS 39 12.801 1.135 -9.178
327 2HD LYS 39 1HD LYS 39 11.856 -0.166 -9.905
328 1HE LYS 39 2HE LYS 39 14.000 -0.655 -10.690
329 2HE LYS 39 1HE LYS 39 13.349 0.306 -12.018
330 1HZ LYS 39 1HZ LYS 39 15.156 1.210 -9.849
331 2HZ LYS 39 2HZ LYS 39 14.359 2.281 -10.903
332 3HZ LYS 39 3HZ LYS 39 15.480 1.160 -11.513
333 H GLY 40 H GLY 40 7.739 0.678 -10.720
334 1HA GLY 40 2HA GLY 40 8.331 -0.631 -13.203
335 2HA GLY 40 1HA GLY 40 7.089 -1.099 -12.047
336 H PHE 41 H PHE 41 6.569 2.094 -12.618
337 HA PHE 41 HA PHE 41 4.173 1.702 -14.057
338 1HB PHE 41 2HB PHE 41 4.573 3.664 -12.619
339 2HB PHE 41 1HB PHE 41 5.799 4.238 -13.748
340 HD1 PHE 41 HD1 PHE 41 5.205 5.299 -15.819
341 HD2 PHE 41 HD2 PHE 41 2.180 3.523 -13.340
342 HE1 PHE 41 HE1 PHE 41 3.446 6.381 -17.190
343 HE2 PHE 41 HE2 PHE 41 0.422 4.606 -14.710
344 HZ PHE 41 HZ PHE 41 1.054 6.036 -16.636
345 H ARG 42 H ARG 42 3.666 1.827 -16.195
346 HA ARG 42 HA ARG 42 5.828 1.547 -18.096
347 1HB ARG 42 2HB ARG 42 2.872 1.759 -18.701
348 2HB ARG 42 1HB ARG 42 4.130 1.032 -19.700
349 1HG ARG 42 2HG ARG 42 4.514 -0.679 -17.935
350 2HG ARG 42 1HG ARG 42 3.197 0.024 -16.994
351 1HD ARG 42 2HD ARG 42 2.339 -1.875 -18.249
352 2HD ARG 42 1HD ARG 42 1.658 -0.394 -18.913
353 HE ARG 42 HE ARG 42 4.080 -1.384 -20.209
354 1HH1 ARG 42 1HH2 ARG 42 0.617 -1.196 -20.142
355 2HH1 ARG 42 2HH2 ARG 42 0.432 -1.594 -21.818
356 1HH2 ARG 42 1HH1 ARG 42 3.833 -1.907 -22.398
357 2HH2 ARG 42 2HH1 ARG 42 2.249 -1.996 -23.093
Start of MODEL 8
1 1H MET 1 1HT MET 1 8.512 -9.337 -1.500
2 2H MET 1 2HT MET 1 7.570 -10.719 -1.201
3 3H MET 1 3HT MET 1 7.017 -9.187 -0.715
4 HA MET 1 HA MET 1 5.947 -8.987 -2.620
5 1HB MET 1 2HB MET 1 7.276 -8.575 -4.644
6 2HB MET 1 1HB MET 1 8.020 -7.787 -3.254
7 1HG MET 1 2HG MET 1 9.295 -10.144 -3.096
8 2HG MET 1 1HG MET 1 8.963 -10.138 -4.829
9 1HE MET 1 1HE MET 1 9.854 -7.893 -1.931
10 2HE MET 1 2HE MET 1 11.360 -7.102 -2.385
11 3HE MET 1 3HE MET 1 11.349 -8.830 -2.044
12 H ILE 2 H ILE 2 5.552 -10.037 -4.869
13 HA ILE 2 HA ILE 2 6.309 -12.803 -5.164
14 HB ILE 2 HB ILE 2 4.600 -12.990 -3.386
15 1HG1 ILE 2 2HG1 ILE 2 3.564 -13.950 -6.076
16 2HG1 ILE 2 1HG1 ILE 2 4.816 -14.766 -5.139
17 1HG2 ILE 2 1HG2 ILE 2 2.520 -12.047 -5.326
18 2HG2 ILE 2 2HG2 ILE 2 3.401 -10.858 -4.369
19 3HG2 ILE 2 3HG2 ILE 2 2.456 -12.109 -3.567
20 1HD1 ILE 2 1HD1 ILE 2 2.935 -15.919 -4.415
21 2HD1 ILE 2 2HD1 ILE 2 1.882 -14.514 -4.580
22 3HD1 ILE 2 3HD1 ILE 2 2.992 -14.629 -3.214
23 H SER 3 H SER 3 4.934 -9.888 -6.225
24 HA SER 3 HA SER 3 4.470 -9.095 -8.332
25 1HB SER 3 2HB SER 3 6.371 -10.848 -8.891
26 2HB SER 3 1HB SER 3 5.033 -11.757 -9.588
27 HG SER 3 HG SER 3 5.185 -10.454 -11.215
28 H ASN 4 H ASN 4 2.638 -10.791 -6.586
29 HA ASN 4 HA ASN 4 0.423 -10.865 -8.470
30 1HB ASN 4 2HB ASN 4 1.010 -13.086 -8.851
31 2HB ASN 4 1HB ASN 4 1.606 -13.318 -7.210
32 1HD2 ASN 4 1HD2 ASN 4 -1.552 -11.859 -8.036
33 2HD2 ASN 4 2HD2 ASN 4 -2.476 -13.096 -7.337
34 H ALA 5 H ALA 5 0.827 -12.484 -5.327
35 HA ALA 5 HA ALA 5 -1.555 -11.458 -4.236
36 1HB ALA 5 1HB ALA 5 0.652 -12.147 -2.370
37 2HB ALA 5 2HB ALA 5 0.126 -13.412 -3.479
38 3HB ALA 5 3HB ALA 5 -1.030 -12.674 -2.371
39 H LYS 6 H LYS 6 1.527 -10.018 -4.646
40 HA LYS 6 HA LYS 6 1.461 -8.163 -2.481
41 1HB LYS 6 2HB LYS 6 3.550 -8.665 -3.648
42 2HB LYS 6 1HB LYS 6 2.887 -8.028 -5.153
43 1HG LYS 6 2HG LYS 6 2.658 -5.803 -4.134
44 2HG LYS 6 1HG LYS 6 3.270 -6.428 -2.603
45 1HD LYS 6 2HD LYS 6 5.428 -6.902 -3.574
46 2HD LYS 6 1HD LYS 6 4.835 -6.541 -5.195
47 1HE LYS 6 2HE LYS 6 4.290 -4.189 -4.270
48 2HE LYS 6 1HE LYS 6 5.328 -4.625 -2.913
49 1HZ LYS 6 1HZ LYS 6 7.178 -4.753 -4.251
50 2HZ LYS 6 2HZ LYS 6 6.340 -3.460 -4.968
51 3HZ LYS 6 3HZ LYS 6 6.285 -5.006 -5.671
52 H ILE 7 H ILE 7 0.553 -7.956 -5.914
53 HA ILE 7 HA ILE 7 -0.264 -5.286 -5.987
54 HB ILE 7 HB ILE 7 -1.481 -7.624 -7.483
55 1HG1 ILE 7 2HG1 ILE 7 0.650 -5.772 -8.536
56 2HG1 ILE 7 1HG1 ILE 7 1.102 -7.175 -7.568
57 1HG2 ILE 7 1HG2 ILE 7 -2.859 -5.638 -7.683
58 2HG2 ILE 7 2HG2 ILE 7 -1.959 -5.831 -9.187
59 3HG2 ILE 7 3HG2 ILE 7 -1.443 -4.633 -7.998
60 1HD1 ILE 7 1HD1 ILE 7 -0.206 -8.624 -9.127
61 2HD1 ILE 7 2HD1 ILE 7 1.131 -7.794 -9.925
62 3HD1 ILE 7 3HD1 ILE 7 -0.519 -7.206 -10.130
63 H ALA 8 H ALA 8 -2.245 -8.197 -5.435
64 HA ALA 8 HA ALA 8 -4.676 -6.938 -4.906
65 1HB ALA 8 1HB ALA 8 -4.437 -9.366 -5.257
66 2HB ALA 8 2HB ALA 8 -5.313 -9.009 -3.768
67 3HB ALA 8 3HB ALA 8 -3.623 -9.506 -3.700
68 H ARG 9 H ARG 9 -1.911 -7.534 -2.791
69 HA ARG 9 HA ARG 9 -3.191 -6.895 -0.348
70 1HB ARG 9 2HB ARG 9 -0.986 -8.014 -0.459
71 2HB ARG 9 1HB ARG 9 -0.276 -6.527 -1.090
72 1HG ARG 9 2HG ARG 9 -0.858 -5.324 0.944
73 2HG ARG 9 1HG ARG 9 -1.720 -6.729 1.569
74 1HD ARG 9 2HD ARG 9 0.542 -7.972 1.286
75 2HD ARG 9 1HD ARG 9 1.245 -6.359 1.194
76 HE ARG 9 HE ARG 9 -0.390 -6.379 3.450
77 1HH1 ARG 9 1HH2 ARG 9 2.403 -8.046 2.253
78 2HH1 ARG 9 2HH2 ARG 9 3.059 -8.353 3.826
79 1HH2 ARG 9 1HH1 ARG 9 0.472 -6.779 5.509
80 2HH2 ARG 9 2HH1 ARG 9 1.971 -7.633 5.666
81 H ILE 10 H ILE 10 -1.334 -4.928 -2.652
82 HA ILE 10 HA ILE 10 -1.301 -2.504 -1.324
83 HB ILE 10 HB ILE 10 -1.603 -3.031 -4.289
84 1HG1 ILE 10 2HG1 ILE 10 0.868 -2.282 -2.704
85 2HG1 ILE 10 1HG1 ILE 10 0.422 -3.956 -3.029
86 1HG2 ILE 10 1HG2 ILE 10 -2.253 -0.744 -3.871
87 2HG2 ILE 10 2HG2 ILE 10 -0.598 -0.717 -4.478
88 3HG2 ILE 10 3HG2 ILE 10 -0.906 -0.512 -2.754
89 1HD1 ILE 10 1HD1 ILE 10 1.856 -3.466 -4.817
90 2HD1 ILE 10 2HD1 ILE 10 1.256 -1.815 -4.972
91 3HD1 ILE 10 3HD1 ILE 10 0.266 -3.168 -5.519
92 H ASN 11 H ASN 11 -3.693 -3.341 -3.863
93 HA ASN 11 HA ASN 11 -5.414 -1.183 -3.288
94 1HB ASN 11 2HB ASN 11 -7.163 -2.596 -4.493
95 2HB ASN 11 1HB ASN 11 -5.698 -2.226 -5.396
96 1HD2 ASN 11 1HD2 ASN 11 -7.607 -4.607 -5.596
97 2HD2 ASN 11 2HD2 ASN 11 -6.599 -5.964 -5.433
98 H GLU 12 H GLU 12 -5.315 -4.481 -2.014
99 HA GLU 12 HA GLU 12 -7.764 -4.428 -0.612
100 1HB GLU 12 2HB GLU 12 -6.494 -6.500 -0.985
101 2HB GLU 12 1HB GLU 12 -5.215 -5.912 0.078
102 1HG GLU 12 2HG GLU 12 -6.645 -5.965 1.989
103 2HG GLU 12 1HG GLU 12 -8.086 -6.169 0.994
104 H LEU 13 H LEU 13 -4.449 -3.761 0.528
105 HA LEU 13 HA LEU 13 -5.115 -2.990 3.144
106 1HB LEU 13 2HB LEU 13 -2.778 -3.333 1.811
107 2HB LEU 13 1HB LEU 13 -2.847 -1.573 1.864
108 HG LEU 13 HG LEU 13 -3.210 -3.359 4.289
109 1HD1 LEU 13 1HD1 LEU 13 -0.946 -3.653 3.639
110 2HD1 LEU 13 2HD1 LEU 13 -0.895 -2.379 4.857
111 3HD1 LEU 13 3HD1 LEU 13 -0.782 -1.968 3.146
112 1HD2 LEU 13 1HD2 LEU 13 -2.530 -1.011 5.318
113 2HD2 LEU 13 2HD2 LEU 13 -4.202 -1.330 4.861
114 3HD2 LEU 13 3HD2 LEU 13 -3.159 -0.398 3.789
115 H ALA 14 H ALA 14 -4.860 -1.101 0.149
116 HA ALA 14 HA ALA 14 -5.161 1.465 1.202
117 1HB ALA 14 1HB ALA 14 -6.293 1.940 -1.065
118 2HB ALA 14 2HB ALA 14 -5.983 0.242 -1.428
119 3HB ALA 14 3HB ALA 14 -4.638 1.331 -1.096
120 H ALA 15 H ALA 15 -7.696 -0.760 0.027
121 HA ALA 15 HA ALA 15 -9.893 0.864 0.769
122 1HB ALA 15 1HB ALA 15 -11.246 -1.089 0.398
123 2HB ALA 15 2HB ALA 15 -9.858 -2.157 0.601
124 3HB ALA 15 3HB ALA 15 -9.960 -1.103 -0.809
125 H LYS 16 H LYS 16 -8.072 -1.634 2.470
126 HA LYS 16 HA LYS 16 -9.730 -1.888 4.734
127 1HB LYS 16 2HB LYS 16 -7.696 -3.328 4.004
128 2HB LYS 16 1HB LYS 16 -6.731 -2.132 4.868
129 1HG LYS 16 2HG LYS 16 -8.218 -2.510 6.878
130 2HG LYS 16 1HG LYS 16 -8.955 -3.853 6.001
131 1HD LYS 16 2HD LYS 16 -6.745 -4.937 5.795
132 2HD LYS 16 1HD LYS 16 -6.006 -3.596 6.671
133 1HE LYS 16 2HE LYS 16 -7.417 -4.101 8.636
134 2HE LYS 16 1HE LYS 16 -8.149 -5.448 7.762
135 1HZ LYS 16 1HZ LYS 16 -6.436 -6.354 9.075
136 2HZ LYS 16 2HZ LYS 16 -5.327 -5.151 8.614
137 3HZ LYS 16 3HZ LYS 16 -5.827 -6.322 7.492
138 H ALA 17 H ALA 17 -6.667 -0.090 4.412
139 HA ALA 17 HA ALA 17 -6.874 1.357 6.815
140 1HB ALA 17 1HB ALA 17 -5.449 1.969 4.216
141 2HB ALA 17 2HB ALA 17 -4.758 1.284 5.688
142 3HB ALA 17 3HB ALA 17 -5.289 2.967 5.661
143 H LYS 18 H LYS 18 -8.555 1.691 3.810
144 HA LYS 18 HA LYS 18 -9.180 4.455 3.921
145 1HB LYS 18 2HB LYS 18 -9.674 2.753 2.024
146 2HB LYS 18 1HB LYS 18 -11.131 2.372 2.941
147 1HG LYS 18 2HG LYS 18 -11.826 4.720 2.867
148 2HG LYS 18 1HG LYS 18 -10.344 5.149 2.011
149 1HD LYS 18 2HD LYS 18 -11.027 4.142 0.035
150 2HD LYS 18 1HD LYS 18 -12.081 2.996 0.862
151 1HE LYS 18 2HE LYS 18 -13.699 4.749 1.340
152 2HE LYS 18 1HE LYS 18 -12.620 5.974 0.672
153 1HZ LYS 18 1HZ LYS 18 -13.171 5.440 -1.412
154 2HZ LYS 18 2HZ LYS 18 -14.533 4.696 -0.718
155 3HZ LYS 18 3HZ LYS 18 -13.164 3.771 -1.107
156 H ALA 19 H ALA 19 -11.292 1.715 4.802
157 HA ALA 19 HA ALA 19 -12.886 3.377 6.554
158 1HB ALA 19 1HB ALA 19 -13.633 1.297 5.164
159 2HB ALA 19 2HB ALA 19 -14.286 1.511 6.787
160 3HB ALA 19 3HB ALA 19 -12.972 0.368 6.509
161 H GLY 20 H GLY 20 -9.920 1.878 6.783
162 1HA GLY 20 2HA GLY 20 -10.108 1.319 9.669
163 2HA GLY 20 1HA GLY 20 -8.806 0.803 8.601
164 H VAL 21 H VAL 21 -9.613 3.925 7.842
165 HA VAL 21 HA VAL 21 -8.791 6.010 8.294
166 HB VAL 21 HB VAL 21 -7.356 5.026 10.741
167 1HG1 VAL 21 1HG1 VAL 21 -7.173 7.391 10.028
168 2HG1 VAL 21 2HG1 VAL 21 -8.021 7.248 11.568
169 3HG1 VAL 21 3HG1 VAL 21 -8.930 7.538 10.085
170 1HG2 VAL 21 1HG2 VAL 21 -9.713 5.630 11.825
171 2HG2 VAL 21 2HG2 VAL 21 -9.370 3.997 11.255
172 3HG2 VAL 21 3HG2 VAL 21 -10.310 5.102 10.252
173 H ILE 22 H ILE 22 -6.399 3.751 9.547
174 HA ILE 22 HA ILE 22 -4.522 3.101 8.008
175 HB ILE 22 HB ILE 22 -4.755 5.123 6.560
176 1HG1 ILE 22 2HG1 ILE 22 -2.186 5.664 6.628
177 2HG1 ILE 22 1HG1 ILE 22 -2.133 4.382 7.836
178 1HG2 ILE 22 1HG2 ILE 22 -4.880 6.579 8.819
179 2HG2 ILE 22 2HG2 ILE 22 -4.313 7.265 7.297
180 3HG2 ILE 22 3HG2 ILE 22 -3.149 6.722 8.506
181 1HD1 ILE 22 1HD1 ILE 22 -1.736 3.617 5.451
182 2HD1 ILE 22 2HD1 ILE 22 -3.415 4.038 5.115
183 3HD1 ILE 22 3HD1 ILE 22 -3.040 2.778 6.291
184 H THR 23 H THR 23 -2.651 2.598 9.047
185 HA THR 23 HA THR 23 -2.245 3.846 11.695
186 HB THR 23 HB THR 23 -1.230 1.795 12.405
187 HG1 THR 23 HG1 THR 23 -1.555 0.815 9.775
188 1HG2 THR 23 1HG2 THR 23 -3.731 1.832 12.248
189 2HG2 THR 23 2HG2 THR 23 -3.047 0.213 12.107
190 3HG2 THR 23 3HG2 THR 23 -3.601 1.062 10.667
191 H GLU 24 H GLU 24 -0.112 4.344 12.372
192 HA GLU 24 HA GLU 24 1.498 5.689 10.567
193 1HB GLU 24 2HB GLU 24 2.163 4.405 13.220
194 2HB GLU 24 1HB GLU 24 3.326 5.378 12.320
195 1HG GLU 24 2HG GLU 24 2.245 6.857 13.871
196 2HG GLU 24 1HG GLU 24 1.595 7.228 12.275
197 H GLU 25 H GLU 25 1.839 2.365 11.759
198 HA GLU 25 HA GLU 25 4.199 1.695 10.385
199 1HB GLU 25 2HB GLU 25 2.007 -0.301 10.901
200 2HB GLU 25 1HB GLU 25 3.754 -0.527 10.984
201 1HG GLU 25 2HG GLU 25 3.708 1.181 12.913
202 2HG GLU 25 1HG GLU 25 1.962 0.931 12.934
203 H GLU 26 H GLU 26 0.785 1.213 9.475
204 HA GLU 26 HA GLU 26 1.286 -0.017 6.979
205 1HB GLU 26 2HB GLU 26 -1.083 1.469 8.102
206 2HB GLU 26 1HB GLU 26 -1.090 0.809 6.467
207 1HG GLU 26 2HG GLU 26 -0.717 -1.431 7.291
208 2HG GLU 26 1HG GLU 26 -0.451 -0.838 8.928
209 H LYS 27 H LYS 27 0.505 3.369 7.787
210 HA LYS 27 HA LYS 27 0.477 4.472 5.256
211 1HB LYS 27 2HB LYS 27 0.090 5.564 7.585
212 2HB LYS 27 1HB LYS 27 1.820 5.906 7.532
213 1HG LYS 27 2HG LYS 27 1.518 7.044 5.352
214 2HG LYS 27 1HG LYS 27 -0.216 6.731 5.440
215 1HD LYS 27 2HD LYS 27 -0.174 7.956 7.690
216 2HD LYS 27 1HD LYS 27 1.446 8.495 7.248
217 1HE LYS 27 2HE LYS 27 0.316 9.245 5.013
218 2HE LYS 27 1HE LYS 27 -1.182 9.148 5.937
219 1HZ LYS 27 1HZ LYS 27 -0.640 11.232 6.515
220 2HZ LYS 27 2HZ LYS 27 1.008 11.031 6.152
221 3HZ LYS 27 3HZ LYS 27 0.388 10.479 7.634
222 H ALA 28 H ALA 28 3.306 4.021 7.381
223 HA ALA 28 HA ALA 28 5.231 5.094 5.629
224 1HB ALA 28 1HB ALA 28 5.684 4.651 8.007
225 2HB ALA 28 2HB ALA 28 6.873 3.849 6.981
226 3HB ALA 28 3HB ALA 28 5.564 2.918 7.711
227 H GLU 29 H GLU 29 4.133 1.741 6.103
228 HA GLU 29 HA GLU 29 5.820 0.507 4.231
229 1HB GLU 29 2HB GLU 29 4.304 -0.613 5.946
230 2HB GLU 29 1HB GLU 29 2.977 -0.339 4.818
231 1HG GLU 29 2HG GLU 29 3.760 -2.534 4.336
232 2HG GLU 29 1HG GLU 29 4.422 -1.516 3.060
233 H GLN 30 H GLN 30 2.427 1.494 3.837
234 HA GLN 30 HA GLN 30 2.044 0.960 1.171
235 1HB GLN 30 2HB GLN 30 1.001 3.350 2.709
236 2HB GLN 30 1HB GLN 30 0.321 2.715 1.211
237 1HG GLN 30 2HG GLN 30 0.643 0.601 3.183
238 2HG GLN 30 1HG GLN 30 -0.338 1.917 3.824
239 1HE2 GLN 30 1HE2 GLN 30 -2.465 2.177 2.978
240 2HE2 GLN 30 2HE2 GLN 30 -3.111 1.178 1.767
241 H GLN 31 H GLN 31 3.768 3.697 2.582
242 HA GLN 31 HA GLN 31 3.894 5.396 0.377
243 1HB GLN 31 2HB GLN 31 4.716 5.899 2.701
244 2HB GLN 31 1HB GLN 31 6.144 4.926 2.344
245 1HG GLN 31 2HG GLN 31 6.664 6.394 0.423
246 2HG GLN 31 1HG GLN 31 5.243 7.372 0.789
247 1HE2 GLN 31 1HE2 GLN 31 8.584 7.008 1.457
248 2HE2 GLN 31 2HE2 GLN 31 8.666 8.064 2.784
249 H LYS 32 H LYS 32 6.285 2.921 1.336
250 HA LYS 32 HA LYS 32 7.930 3.186 -0.931
251 1HB LYS 32 2HB LYS 32 7.486 0.957 1.048
252 2HB LYS 32 1HB LYS 32 8.606 0.775 -0.303
253 1HG LYS 32 2HG LYS 32 9.815 2.805 0.428
254 2HG LYS 32 1HG LYS 32 8.708 2.967 1.793
255 1HD LYS 32 2HD LYS 32 9.422 0.770 2.650
256 2HD LYS 32 1HD LYS 32 10.514 0.584 1.278
257 1HE LYS 32 2HE LYS 32 11.935 1.401 2.959
258 2HE LYS 32 1HE LYS 32 11.513 2.860 2.063
259 1HZ LYS 32 1HZ LYS 32 11.292 2.753 4.655
260 2HZ LYS 32 2HZ LYS 32 9.790 2.050 4.287
261 3HZ LYS 32 3HZ LYS 32 10.164 3.606 3.718
262 H LEU 33 H LEU 33 5.442 0.711 -0.244
263 HA LEU 33 HA LEU 33 5.576 -0.655 -2.666
264 1HB LEU 33 2HB LEU 33 3.027 -0.174 -1.114
265 2HB LEU 33 1HB LEU 33 3.412 -1.550 -2.144
266 HG LEU 33 HG LEU 33 4.698 -0.834 0.505
267 1HD1 LEU 33 1HD1 LEU 33 2.494 -2.032 0.530
268 2HD1 LEU 33 2HD1 LEU 33 3.810 -2.975 1.229
269 3HD1 LEU 33 3HD1 LEU 33 3.239 -3.331 -0.400
270 1HD2 LEU 33 1HD2 LEU 33 6.520 -1.621 -0.777
271 2HD2 LEU 33 2HD2 LEU 33 5.516 -2.775 -1.655
272 3HD2 LEU 33 3HD2 LEU 33 5.931 -3.073 0.033
273 H ARG 34 H ARG 34 3.812 2.296 -1.856
274 HA ARG 34 HA ARG 34 2.322 2.427 -4.287
275 1HB ARG 34 2HB ARG 34 1.746 3.614 -2.146
276 2HB ARG 34 1HB ARG 34 3.075 4.726 -2.471
277 1HG ARG 34 2HG ARG 34 2.034 5.333 -4.631
278 2HG ARG 34 1HG ARG 34 0.697 4.233 -4.290
279 1HD ARG 34 2HD ARG 34 0.512 5.612 -2.055
280 2HD ARG 34 1HD ARG 34 1.390 6.837 -2.966
281 HE ARG 34 HE ARG 34 -0.504 7.155 -4.303
282 1HH1 ARG 34 1HH2 ARG 34 -0.841 4.378 -2.250
283 2HH1 ARG 34 2HH2 ARG 34 -2.532 4.183 -2.571
284 1HH2 ARG 34 1HH1 ARG 34 -2.713 6.898 -4.717
285 2HH2 ARG 34 2HH1 ARG 34 -3.591 5.609 -3.963
286 H GLN 35 H GLN 35 5.079 4.419 -3.168
287 HA GLN 35 HA GLN 35 5.530 5.666 -5.649
288 1HB GLN 35 2HB GLN 35 7.512 6.534 -4.692
289 2HB GLN 35 1HB GLN 35 6.392 6.360 -3.347
290 1HG GLN 35 2HG GLN 35 8.252 5.357 -2.421
291 2HG GLN 35 1HG GLN 35 7.517 3.952 -3.183
292 1HE2 GLN 35 1HE2 GLN 35 9.928 3.231 -3.108
293 2HE2 GLN 35 2HE2 GLN 35 10.895 3.663 -4.434
294 H GLU 36 H GLU 36 6.590 2.586 -4.373
295 HA GLU 36 HA GLU 36 8.704 2.098 -6.202
296 1HB GLU 36 2HB GLU 36 8.607 0.745 -4.242
297 2HB GLU 36 1HB GLU 36 6.942 0.267 -4.566
298 1HG GLU 36 2HG GLU 36 9.087 -0.369 -6.579
299 2HG GLU 36 1HG GLU 36 8.906 -1.384 -5.150
300 H TYR 37 H TYR 37 5.263 1.197 -6.223
301 HA TYR 37 HA TYR 37 5.154 -0.319 -8.531
302 1HB TYR 37 2HB TYR 37 3.232 0.041 -7.019
303 2HB TYR 37 1HB TYR 37 3.094 1.700 -7.603
304 HD1 TYR 37 HD1 TYR 37 3.142 -1.848 -8.803
305 HD2 TYR 37 HD2 TYR 37 1.818 2.175 -9.523
306 HE1 TYR 37 HE1 TYR 37 1.792 -2.636 -10.729
307 HE2 TYR 37 HE2 TYR 37 0.471 1.387 -11.448
308 HH TYR 37 HH TYR 37 -0.441 -1.626 -11.944
309 H LEU 38 H LEU 38 5.194 3.203 -8.210
310 HA LEU 38 HA LEU 38 4.616 3.910 -10.856
311 1HB LEU 38 2HB LEU 38 6.603 5.344 -9.081
312 2HB LEU 38 1HB LEU 38 5.615 6.034 -10.369
313 HG LEU 38 HG LEU 38 4.620 4.889 -7.741
314 1HD1 LEU 38 1HD1 LEU 38 3.761 7.264 -7.500
315 2HD1 LEU 38 2HD1 LEU 38 4.735 7.681 -8.910
316 3HD1 LEU 38 3HD1 LEU 38 5.516 7.099 -7.440
317 1HD2 LEU 38 1HD2 LEU 38 2.935 4.316 -9.296
318 2HD2 LEU 38 2HD2 LEU 38 3.189 5.779 -10.249
319 3HD2 LEU 38 3HD2 LEU 38 2.400 5.877 -8.674
320 H LYS 39 H LYS 39 7.844 3.661 -9.351
321 HA LYS 39 HA LYS 39 9.262 3.780 -11.810
322 1HB LYS 39 2HB LYS 39 9.990 2.939 -9.009
323 2HB LYS 39 1HB LYS 39 11.139 2.781 -10.335
324 1HG LYS 39 2HG LYS 39 11.488 4.927 -9.228
325 2HG LYS 39 1HG LYS 39 10.836 5.209 -10.841
326 1HD LYS 39 2HD LYS 39 8.670 5.704 -10.000
327 2HD LYS 39 1HD LYS 39 9.039 5.016 -8.419
328 1HE LYS 39 2HE LYS 39 10.168 6.887 -7.714
329 2HE LYS 39 1HE LYS 39 10.771 7.260 -9.330
330 1HZ LYS 39 1HZ LYS 39 8.763 8.562 -8.106
331 2HZ LYS 39 2HZ LYS 39 7.904 7.443 -9.055
332 3HZ LYS 39 3HZ LYS 39 8.999 8.516 -9.786
333 H GLY 40 H GLY 40 7.472 1.307 -10.309
334 1HA GLY 40 2HA GLY 40 8.932 -0.883 -11.583
335 2HA GLY 40 1HA GLY 40 7.556 -1.037 -10.498
336 H PHE 41 H PHE 41 6.492 1.292 -12.418
337 HA PHE 41 HA PHE 41 4.688 -0.328 -13.861
338 1HB PHE 41 2HB PHE 41 4.240 2.034 -13.289
339 2HB PHE 41 1HB PHE 41 5.501 2.539 -14.414
340 HD1 PHE 41 HD1 PHE 41 2.132 1.066 -14.102
341 HD2 PHE 41 HD2 PHE 41 5.186 2.368 -16.830
342 HE1 PHE 41 HE1 PHE 41 0.506 0.968 -15.972
343 HE2 PHE 41 HE2 PHE 41 3.559 2.270 -18.698
344 HZ PHE 41 HZ PHE 41 1.219 1.569 -18.270
345 H ARG 42 H ARG 42 5.066 -1.570 -15.567
346 HA ARG 42 HA ARG 42 7.020 -0.678 -17.593
347 1HB ARG 42 2HB ARG 42 6.847 -3.385 -16.264
348 2HB ARG 42 1HB ARG 42 7.644 -3.146 -17.819
349 1HG ARG 42 2HG ARG 42 9.365 -1.891 -16.906
350 2HG ARG 42 1HG ARG 42 8.379 -1.319 -15.562
351 1HD ARG 42 2HD ARG 42 10.135 -2.967 -14.872
352 2HD ARG 42 1HD ARG 42 8.498 -3.483 -14.475
353 HE ARG 42 HE ARG 42 9.104 -4.528 -16.997
354 1HH1 ARG 42 1HH2 ARG 42 10.215 -4.754 -13.722
355 2HH1 ARG 42 2HH2 ARG 42 10.763 -6.388 -13.878
356 1HH2 ARG 42 1HH1 ARG 42 9.818 -6.671 -17.200
357 2HH2 ARG 42 2HH1 ARG 42 10.534 -7.475 -15.843
Start of MODEL 9
1 1H MET 1 1HT MET 1 2.068 -7.028 -17.040
2 2H MET 1 2HT MET 1 2.056 -5.801 -18.213
3 3H MET 1 3HT MET 1 1.320 -7.296 -18.539
4 HA MET 1 HA MET 1 0.291 -4.999 -17.146
5 1HB MET 1 2HB MET 1 -0.979 -7.496 -18.317
6 2HB MET 1 1HB MET 1 -1.839 -6.035 -17.836
7 1HG MET 1 2HG MET 1 -1.562 -5.560 -20.075
8 2HG MET 1 1HG MET 1 -0.042 -4.903 -19.472
9 1HE MET 1 1HE MET 1 -0.021 -5.153 -22.132
10 2HE MET 1 2HE MET 1 -1.058 -6.517 -22.544
11 3HE MET 1 3HE MET 1 0.656 -6.570 -22.946
12 H ILE 2 H ILE 2 0.935 -5.194 -14.976
13 HA ILE 2 HA ILE 2 0.441 -7.603 -13.463
14 HB ILE 2 HB ILE 2 1.047 -4.840 -12.386
15 1HG1 ILE 2 2HG1 ILE 2 3.033 -7.006 -13.148
16 2HG1 ILE 2 1HG1 ILE 2 2.683 -5.607 -14.159
17 1HG2 ILE 2 1HG2 ILE 2 1.680 -5.926 -10.414
18 2HG2 ILE 2 2HG2 ILE 2 1.926 -7.473 -11.224
19 3HG2 ILE 2 3HG2 ILE 2 0.292 -6.885 -10.921
20 1HD1 ILE 2 1HD1 ILE 2 3.955 -5.664 -11.423
21 2HD1 ILE 2 2HD1 ILE 2 3.233 -4.190 -12.068
22 3HD1 ILE 2 3HD1 ILE 2 4.584 -4.951 -12.908
23 H SER 3 H SER 3 -1.213 -8.045 -12.094
24 HA SER 3 HA SER 3 -3.102 -6.158 -11.129
25 1HB SER 3 2HB SER 3 -3.898 -6.082 -13.427
26 2HB SER 3 1HB SER 3 -3.978 -7.840 -13.494
27 HG SER 3 HG SER 3 -5.621 -7.802 -12.000
28 H ASN 4 H ASN 4 -1.987 -7.706 -9.491
29 HA ASN 4 HA ASN 4 -3.977 -9.481 -8.507
30 1HB ASN 4 2HB ASN 4 -2.466 -11.561 -8.645
31 2HB ASN 4 1HB ASN 4 -3.327 -11.083 -10.103
32 1HD2 ASN 4 1HD2 ASN 4 -0.664 -9.016 -9.228
33 2HD2 ASN 4 2HD2 ASN 4 0.433 -9.608 -10.379
34 H ALA 5 H ALA 5 -1.013 -10.879 -7.861
35 HA ALA 5 HA ALA 5 -0.808 -10.685 -5.235
36 1HB ALA 5 1HB ALA 5 0.889 -11.742 -6.696
37 2HB ALA 5 2HB ALA 5 1.615 -10.794 -5.398
38 3HB ALA 5 3HB ALA 5 1.559 -10.148 -7.039
39 H LYS 6 H LYS 6 0.663 -8.115 -7.256
40 HA LYS 6 HA LYS 6 1.235 -6.431 -5.033
41 1HB LYS 6 2HB LYS 6 1.188 -6.013 -8.015
42 2HB LYS 6 1HB LYS 6 1.506 -4.677 -6.907
43 1HG LYS 6 2HG LYS 6 3.394 -5.891 -5.930
44 2HG LYS 6 1HG LYS 6 3.050 -7.290 -6.946
45 1HD LYS 6 2HD LYS 6 4.845 -6.073 -7.995
46 2HD LYS 6 1HD LYS 6 3.397 -5.801 -8.964
47 1HE LYS 6 2HE LYS 6 3.169 -3.594 -8.252
48 2HE LYS 6 1HE LYS 6 4.052 -3.878 -6.753
49 1HZ LYS 6 1HZ LYS 6 5.875 -4.448 -8.679
50 2HZ LYS 6 2HZ LYS 6 5.778 -2.990 -7.815
51 3HZ LYS 6 3HZ LYS 6 5.039 -3.125 -9.337
52 H ILE 7 H ILE 7 -1.033 -5.777 -7.723
53 HA ILE 7 HA ILE 7 -2.350 -3.633 -6.566
54 HB ILE 7 HB ILE 7 -3.177 -5.672 -8.614
55 1HG1 ILE 7 2HG1 ILE 7 -3.237 -3.520 -9.987
56 2HG1 ILE 7 1HG1 ILE 7 -2.531 -2.709 -8.591
57 1HG2 ILE 7 1HG2 ILE 7 -5.178 -4.100 -8.998
58 2HG2 ILE 7 2HG2 ILE 7 -4.879 -3.506 -7.365
59 3HG2 ILE 7 3HG2 ILE 7 -5.291 -5.201 -7.626
60 1HD1 ILE 7 1HD1 ILE 7 -0.536 -3.988 -8.719
61 2HD1 ILE 7 2HD1 ILE 7 -0.903 -3.577 -10.394
62 3HD1 ILE 7 3HD1 ILE 7 -1.277 -5.188 -9.781
63 H ALA 8 H ALA 8 -3.318 -7.068 -6.431
64 HA ALA 8 HA ALA 8 -5.650 -6.770 -4.934
65 1HB ALA 8 1HB ALA 8 -5.438 -9.100 -4.380
66 2HB ALA 8 2HB ALA 8 -3.702 -9.069 -4.690
67 3HB ALA 8 3HB ALA 8 -4.841 -8.886 -6.024
68 H ARG 9 H ARG 9 -2.284 -7.055 -3.848
69 HA ARG 9 HA ARG 9 -2.814 -7.264 -1.090
70 1HB ARG 9 2HB ARG 9 -0.601 -7.720 -2.069
71 2HB ARG 9 1HB ARG 9 -0.419 -6.010 -2.459
72 1HG ARG 9 2HG ARG 9 -0.649 -5.463 -0.040
73 2HG ARG 9 1HG ARG 9 -0.742 -7.188 0.318
74 1HD ARG 9 2HD ARG 9 1.585 -5.974 -1.181
75 2HD ARG 9 1HD ARG 9 1.557 -6.101 0.573
76 HE ARG 9 HE ARG 9 1.674 -8.464 0.377
77 1HH1 ARG 9 1HH2 ARG 9 1.577 -6.832 -2.684
78 2HH1 ARG 9 2HH2 ARG 9 2.122 -8.208 -3.584
79 1HH2 ARG 9 1HH1 ARG 9 2.384 -10.262 -0.804
80 2HH2 ARG 9 2HH1 ARG 9 2.574 -10.148 -2.522
81 H ILE 10 H ILE 10 -1.428 -4.366 -2.619
82 HA ILE 10 HA ILE 10 -1.995 -2.529 -0.658
83 HB ILE 10 HB ILE 10 -1.994 -2.138 -3.660
84 1HG1 ILE 10 2HG1 ILE 10 0.186 -1.377 -1.727
85 2HG1 ILE 10 1HG1 ILE 10 0.070 -3.035 -2.316
86 1HG2 ILE 10 1HG2 ILE 10 -2.084 -0.176 -1.367
87 2HG2 ILE 10 2HG2 ILE 10 -3.054 -0.195 -2.841
88 3HG2 ILE 10 3HG2 ILE 10 -1.352 0.262 -2.910
89 1HD1 ILE 10 1HD1 ILE 10 0.205 -0.580 -4.092
90 2HD1 ILE 10 2HD1 ILE 10 0.199 -2.261 -4.628
91 3HD1 ILE 10 3HD1 ILE 10 1.574 -1.629 -3.722
92 H ASN 11 H ASN 11 -4.165 -3.772 -3.140
93 HA ASN 11 HA ASN 11 -6.252 -1.915 -2.886
94 1HB ASN 11 2HB ASN 11 -6.240 -3.496 -4.712
95 2HB ASN 11 1HB ASN 11 -6.320 -4.857 -3.596
96 1HD2 ASN 11 1HD2 ASN 11 -8.377 -5.609 -4.458
97 2HD2 ASN 11 2HD2 ASN 11 -9.816 -4.751 -4.193
98 H GLU 12 H GLU 12 -6.344 -5.228 -1.560
99 HA GLU 12 HA GLU 12 -8.418 -4.714 0.270
100 1HB GLU 12 2HB GLU 12 -7.698 -6.974 -0.532
101 2HB GLU 12 1HB GLU 12 -6.276 -6.839 0.502
102 1HG GLU 12 2HG GLU 12 -7.696 -6.627 2.485
103 2HG GLU 12 1HG GLU 12 -9.144 -6.659 1.478
104 H LEU 13 H LEU 13 -4.918 -4.463 0.566
105 HA LEU 13 HA LEU 13 -4.696 -4.252 3.351
106 1HB LEU 13 2HB LEU 13 -2.844 -4.442 1.571
107 2HB LEU 13 1HB LEU 13 -2.980 -2.691 1.422
108 HG LEU 13 HG LEU 13 -2.549 -4.075 4.082
109 1HD1 LEU 13 1HD1 LEU 13 -0.539 -3.051 2.061
110 2HD1 LEU 13 2HD1 LEU 13 -0.625 -4.658 2.779
111 3HD1 LEU 13 3HD1 LEU 13 -0.145 -3.277 3.765
112 1HD2 LEU 13 1HD2 LEU 13 -1.474 -1.627 4.337
113 2HD2 LEU 13 2HD2 LEU 13 -3.188 -1.922 4.619
114 3HD2 LEU 13 3HD2 LEU 13 -2.650 -1.263 3.074
115 H ALA 14 H ALA 14 -4.567 -1.518 1.049
116 HA ALA 14 HA ALA 14 -4.871 0.521 2.925
117 1HB ALA 14 1HB ALA 14 -4.171 0.959 0.629
118 2HB ALA 14 2HB ALA 14 -5.599 1.921 1.014
119 3HB ALA 14 3HB ALA 14 -5.755 0.463 0.030
120 H ALA 15 H ALA 15 -7.332 -1.276 1.117
121 HA ALA 15 HA ALA 15 -9.572 0.219 1.943
122 1HB ALA 15 1HB ALA 15 -10.888 -1.708 1.253
123 2HB ALA 15 2HB ALA 15 -9.455 -2.735 1.289
124 3HB ALA 15 3HB ALA 15 -9.585 -1.444 0.094
125 H LYS 16 H LYS 16 -7.856 -2.477 3.426
126 HA LYS 16 HA LYS 16 -9.689 -3.075 5.474
127 1HB LYS 16 2HB LYS 16 -7.651 -4.442 4.818
128 2HB LYS 16 1HB LYS 16 -6.679 -3.275 5.713
129 1HG LYS 16 2HG LYS 16 -7.105 -4.935 7.321
130 2HG LYS 16 1HG LYS 16 -8.348 -3.731 7.663
131 1HD LYS 16 2HD LYS 16 -10.014 -4.992 6.467
132 2HD LYS 16 1HD LYS 16 -8.802 -6.105 5.835
133 1HE LYS 16 2HE LYS 16 -9.933 -7.194 7.682
134 2HE LYS 16 1HE LYS 16 -8.297 -6.791 8.203
135 1HZ LYS 16 1HZ LYS 16 -9.756 -4.568 8.803
136 2HZ LYS 16 2HZ LYS 16 -9.269 -5.767 9.904
137 3HZ LYS 16 3HZ LYS 16 -10.809 -5.840 9.191
138 H ALA 17 H ALA 17 -6.649 -1.247 5.764
139 HA ALA 17 HA ALA 17 -7.192 -0.123 8.288
140 1HB ALA 17 1HB ALA 17 -5.564 1.546 6.495
141 2HB ALA 17 2HB ALA 17 -5.042 -0.138 6.566
142 3HB ALA 17 3HB ALA 17 -5.147 0.817 8.045
143 H LYS 18 H LYS 18 -8.368 0.685 5.127
144 HA LYS 18 HA LYS 18 -8.951 3.424 5.545
145 1HB LYS 18 2HB LYS 18 -9.133 2.187 3.342
146 2HB LYS 18 1HB LYS 18 -10.641 1.493 3.936
147 1HG LYS 18 2HG LYS 18 -11.419 3.369 2.791
148 2HG LYS 18 1HG LYS 18 -11.272 4.001 4.431
149 1HD LYS 18 2HD LYS 18 -8.793 4.551 3.616
150 2HD LYS 18 1HD LYS 18 -9.565 4.531 2.030
151 1HE LYS 18 2HE LYS 18 -10.424 6.217 4.402
152 2HE LYS 18 1HE LYS 18 -9.599 6.804 2.958
153 1HZ LYS 18 1HZ LYS 18 -12.150 6.974 3.098
154 2HZ LYS 18 2HZ LYS 18 -12.133 5.318 2.719
155 3HZ LYS 18 3HZ LYS 18 -11.445 6.446 1.649
156 H ALA 19 H ALA 19 -11.297 0.742 5.618
157 HA ALA 19 HA ALA 19 -13.096 2.233 7.318
158 1HB ALA 19 1HB ALA 19 -13.320 -0.723 6.827
159 2HB ALA 19 2HB ALA 19 -13.660 0.413 5.522
160 3HB ALA 19 3HB ALA 19 -14.602 0.474 7.010
161 H GLY 20 H GLY 20 -10.316 0.431 7.814
162 1HA GLY 20 2HA GLY 20 -11.074 -0.482 10.507
163 2HA GLY 20 1HA GLY 20 -9.642 -0.981 9.613
164 H VAL 21 H VAL 21 -10.086 2.308 9.250
165 HA VAL 21 HA VAL 21 -9.165 4.190 10.192
166 HB VAL 21 HB VAL 21 -8.276 2.658 12.619
167 1HG1 VAL 21 1HG1 VAL 21 -8.915 4.796 13.705
168 2HG1 VAL 21 2HG1 VAL 21 -9.423 5.429 12.138
169 3HG1 VAL 21 3HG1 VAL 21 -7.726 5.043 12.428
170 1HG2 VAL 21 1HG2 VAL 21 -10.746 3.424 13.366
171 2HG2 VAL 21 2HG2 VAL 21 -10.427 1.829 12.683
172 3HG2 VAL 21 3HG2 VAL 21 -11.065 3.115 11.659
173 H ILE 22 H ILE 22 -7.520 4.477 8.793
174 HA ILE 22 HA ILE 22 -5.118 2.869 8.906
175 HB ILE 22 HB ILE 22 -6.087 3.742 6.770
176 1HG1 ILE 22 2HG1 ILE 22 -3.336 4.908 7.198
177 2HG1 ILE 22 1HG1 ILE 22 -3.595 3.164 7.235
178 1HG2 ILE 22 1HG2 ILE 22 -4.919 6.416 7.545
179 2HG2 ILE 22 2HG2 ILE 22 -6.607 6.029 7.881
180 3HG2 ILE 22 3HG2 ILE 22 -6.020 6.038 6.219
181 1HD1 ILE 22 1HD1 ILE 22 -4.463 4.946 4.940
182 2HD1 ILE 22 2HD1 ILE 22 -4.482 3.182 4.983
183 3HD1 ILE 22 3HD1 ILE 22 -2.946 4.047 4.968
184 H THR 23 H THR 23 -3.117 3.485 9.628
185 HA THR 23 HA THR 23 -3.008 5.996 11.196
186 HB THR 23 HB THR 23 -1.837 4.924 12.864
187 HG1 THR 23 HG1 THR 23 -0.922 3.309 10.762
188 1HG2 THR 23 1HG2 THR 23 -3.261 2.544 11.645
189 2HG2 THR 23 2HG2 THR 23 -4.086 3.826 12.530
190 3HG2 THR 23 3HG2 THR 23 -2.899 2.812 13.349
191 H GLU 24 H GLU 24 -0.876 7.005 11.363
192 HA GLU 24 HA GLU 24 0.309 7.543 8.908
193 1HB GLU 24 2HB GLU 24 1.420 7.795 11.712
194 2HB GLU 24 1HB GLU 24 2.253 8.409 10.283
195 1HG GLU 24 2HG GLU 24 1.016 10.262 11.115
196 2HG GLU 24 1HG GLU 24 0.082 9.667 9.746
197 H GLU 25 H GLU 25 1.023 5.037 11.258
198 HA GLU 25 HA GLU 25 3.517 4.171 10.304
199 1HB GLU 25 2HB GLU 25 1.386 2.349 11.433
200 2HB GLU 25 1HB GLU 25 3.136 2.165 11.532
201 1HG GLU 25 2HG GLU 25 2.920 4.580 12.690
202 2HG GLU 25 1HG GLU 25 1.325 3.949 13.094
203 H GLU 26 H GLU 26 0.230 3.107 9.412
204 HA GLU 26 HA GLU 26 1.040 1.156 7.528
205 1HB GLU 26 2HB GLU 26 -1.492 2.624 8.119
206 2HB GLU 26 1HB GLU 26 -1.363 1.791 6.571
207 1HG GLU 26 2HG GLU 26 -2.336 0.327 8.318
208 2HG GLU 26 1HG GLU 26 -0.805 -0.304 7.714
209 H LYS 27 H LYS 27 0.253 4.600 7.207
210 HA LYS 27 HA LYS 27 0.308 4.859 4.439
211 1HB LYS 27 2HB LYS 27 0.849 6.668 6.741
212 2HB LYS 27 1HB LYS 27 1.393 7.204 5.153
213 1HG LYS 27 2HG LYS 27 -1.386 6.109 5.446
214 2HG LYS 27 1HG LYS 27 -1.055 7.760 5.970
215 1HD LYS 27 2HD LYS 27 -0.426 8.453 3.804
216 2HD LYS 27 1HD LYS 27 -0.169 6.799 3.251
217 1HE LYS 27 2HE LYS 27 -2.490 6.360 3.114
218 2HE LYS 27 1HE LYS 27 -2.899 7.750 4.121
219 1HZ LYS 27 1HZ LYS 27 -1.420 8.532 1.819
220 2HZ LYS 27 2HZ LYS 27 -2.945 9.061 2.354
221 3HZ LYS 27 3HZ LYS 27 -2.815 7.676 1.377
222 H ALA 28 H ALA 28 2.996 4.921 6.754
223 HA ALA 28 HA ALA 28 5.058 5.513 4.927
224 1HB ALA 28 1HB ALA 28 5.248 5.580 7.432
225 2HB ALA 28 2HB ALA 28 6.575 4.735 6.634
226 3HB ALA 28 3HB ALA 28 5.291 3.817 7.423
227 H GLU 29 H GLU 29 3.782 2.405 6.094
228 HA GLU 29 HA GLU 29 5.555 0.701 4.765
229 1HB GLU 29 2HB GLU 29 4.094 -0.181 6.453
230 2HB GLU 29 1HB GLU 29 2.662 0.325 5.559
231 1HG GLU 29 2HG GLU 29 2.948 -1.329 3.914
232 2HG GLU 29 1HG GLU 29 4.652 -1.558 4.306
233 H GLN 30 H GLN 30 2.223 1.470 3.739
234 HA GLN 30 HA GLN 30 2.283 0.346 1.220
235 1HB GLN 30 2HB GLN 30 0.883 2.946 1.864
236 2HB GLN 30 1HB GLN 30 0.415 1.739 0.670
237 1HG GLN 30 2HG GLN 30 0.517 0.207 2.930
238 2HG GLN 30 1HG GLN 30 0.001 1.754 3.597
239 1HE2 GLN 30 1HE2 GLN 30 -2.219 2.107 3.532
240 2HE2 GLN 30 2HE2 GLN 30 -3.292 1.349 2.456
241 H GLN 31 H GLN 31 3.697 3.381 2.268
242 HA GLN 31 HA GLN 31 4.062 4.636 -0.213
243 1HB GLN 31 2HB GLN 31 4.538 5.509 2.191
244 2HB GLN 31 1HB GLN 31 6.130 4.787 1.968
245 1HG GLN 31 2HG GLN 31 6.445 6.978 1.192
246 2HG GLN 31 1HG GLN 31 6.149 6.077 -0.291
247 1HE2 GLN 31 1HE2 GLN 31 3.158 5.986 0.921
248 2HE2 GLN 31 2HE2 GLN 31 2.530 7.457 0.355
249 H LYS 32 H LYS 32 5.969 2.171 1.432
250 HA LYS 32 HA LYS 32 8.242 2.204 -0.209
251 1HB LYS 32 2HB LYS 32 8.136 0.991 1.924
252 2HB LYS 32 1HB LYS 32 6.976 -0.142 1.229
253 1HG LYS 32 2HG LYS 32 8.657 -0.800 -0.474
254 2HG LYS 32 1HG LYS 32 9.818 0.306 0.262
255 1HD LYS 32 2HD LYS 32 10.411 -1.655 1.336
256 2HD LYS 32 1HD LYS 32 9.193 -1.055 2.463
257 1HE LYS 32 2HE LYS 32 7.475 -2.417 1.257
258 2HE LYS 32 1HE LYS 32 8.761 -3.086 0.251
259 1HZ LYS 32 1HZ LYS 32 8.150 -4.467 2.209
260 2HZ LYS 32 2HZ LYS 32 8.742 -3.232 3.215
261 3HZ LYS 32 3HZ LYS 32 9.790 -4.039 2.150
262 H LEU 33 H LEU 33 5.535 -0.129 -0.354
263 HA LEU 33 HA LEU 33 6.233 -1.346 -2.760
264 1HB LEU 33 2HB LEU 33 3.508 -0.893 -1.523
265 2HB LEU 33 1HB LEU 33 3.794 -1.943 -2.911
266 HG LEU 33 HG LEU 33 5.486 -2.327 -0.467
267 1HD1 LEU 33 1HD1 LEU 33 3.342 -2.270 0.578
268 2HD1 LEU 33 2HD1 LEU 33 3.695 -3.979 0.316
269 3HD1 LEU 33 3HD1 LEU 33 2.584 -3.132 -0.762
270 1HD2 LEU 33 1HD2 LEU 33 5.836 -3.586 -2.615
271 2HD2 LEU 33 2HD2 LEU 33 4.224 -4.277 -2.424
272 3HD2 LEU 33 3HD2 LEU 33 5.483 -4.633 -1.240
273 H ARG 34 H ARG 34 4.242 1.528 -2.175
274 HA ARG 34 HA ARG 34 3.383 1.959 -4.821
275 1HB ARG 34 2HB ARG 34 2.385 3.115 -2.910
276 2HB ARG 34 1HB ARG 34 3.901 3.961 -2.609
277 1HG ARG 34 2HG ARG 34 3.685 5.310 -4.496
278 2HG ARG 34 1HG ARG 34 2.639 4.156 -5.327
279 1HD ARG 34 2HD ARG 34 0.741 4.832 -4.174
280 2HD ARG 34 1HD ARG 34 1.659 5.395 -2.780
281 HE ARG 34 HE ARG 34 1.001 6.921 -5.146
282 1HH1 ARG 34 1HH2 ARG 34 3.207 6.511 -2.501
283 2HH1 ARG 34 2HH2 ARG 34 3.729 8.162 -2.507
284 1HH2 ARG 34 1HH1 ARG 34 1.688 9.076 -5.156
285 2HH2 ARG 34 2HH1 ARG 34 2.873 9.611 -4.012
286 H GLN 35 H GLN 35 6.246 3.115 -3.070
287 HA GLN 35 HA GLN 35 7.278 4.784 -5.088
288 1HB GLN 35 2HB GLN 35 8.020 4.639 -2.657
289 2HB GLN 35 1HB GLN 35 8.937 3.204 -3.117
290 1HG GLN 35 2HG GLN 35 9.793 4.846 -5.053
291 2HG GLN 35 1HG GLN 35 9.389 6.066 -3.849
292 1HE2 GLN 35 1HE2 GLN 35 11.281 6.622 -2.768
293 2HE2 GLN 35 2HE2 GLN 35 12.451 5.517 -2.227
294 H GLU 36 H GLU 36 7.776 1.335 -4.414
295 HA GLU 36 HA GLU 36 9.735 0.890 -6.410
296 1HB GLU 36 2HB GLU 36 9.425 -0.717 -4.630
297 2HB GLU 36 1HB GLU 36 7.752 -0.990 -5.109
298 1HG GLU 36 2HG GLU 36 9.355 -2.769 -5.906
299 2HG GLU 36 1HG GLU 36 8.434 -1.998 -7.195
300 H TYR 37 H TYR 37 6.193 0.573 -6.427
301 HA TYR 37 HA TYR 37 5.813 -0.544 -8.930
302 1HB TYR 37 2HB TYR 37 3.988 -0.104 -7.322
303 2HB TYR 37 1HB TYR 37 4.131 1.623 -7.643
304 HD1 TYR 37 HD1 TYR 37 3.712 -1.627 -9.472
305 HD2 TYR 37 HD2 TYR 37 2.804 2.570 -9.324
306 HE1 TYR 37 HE1 TYR 37 2.252 -1.873 -11.462
307 HE2 TYR 37 HE2 TYR 37 1.343 2.322 -11.313
308 HH TYR 37 HH TYR 37 0.937 0.889 -13.127
309 H LEU 38 H LEU 38 6.098 2.911 -8.111
310 HA LEU 38 HA LEU 38 5.889 3.922 -10.729
311 1HB LEU 38 2HB LEU 38 6.752 4.915 -8.100
312 2HB LEU 38 1HB LEU 38 7.563 5.699 -9.455
313 HG LEU 38 HG LEU 38 5.433 6.841 -8.778
314 1HD1 LEU 38 1HD1 LEU 38 4.878 7.380 -10.959
315 2HD1 LEU 38 2HD1 LEU 38 4.920 5.701 -11.499
316 3HD1 LEU 38 3HD1 LEU 38 6.425 6.580 -11.238
317 1HD2 LEU 38 1HD2 LEU 38 3.855 4.653 -10.053
318 2HD2 LEU 38 2HD2 LEU 38 3.394 5.772 -8.769
319 3HD2 LEU 38 3HD2 LEU 38 4.413 4.382 -8.403
320 H LYS 39 H LYS 39 8.713 2.894 -8.834
321 HA LYS 39 HA LYS 39 10.667 3.606 -10.763
322 1HB LYS 39 2HB LYS 39 10.602 1.798 -8.372
323 2HB LYS 39 1HB LYS 39 11.980 1.726 -9.473
324 1HG LYS 39 2HG LYS 39 12.418 4.091 -9.178
325 2HG LYS 39 1HG LYS 39 10.943 4.289 -8.231
326 1HD LYS 39 2HD LYS 39 11.816 3.146 -6.383
327 2HD LYS 39 1HD LYS 39 13.041 2.323 -7.346
328 1HE LYS 39 2HE LYS 39 13.700 4.373 -5.800
329 2HE LYS 39 1HE LYS 39 14.453 4.166 -7.381
330 1HZ LYS 39 1HZ LYS 39 13.495 6.443 -6.797
331 2HZ LYS 39 2HZ LYS 39 11.972 5.740 -7.066
332 3HZ LYS 39 3HZ LYS 39 13.118 5.799 -8.320
333 H GLY 40 H GLY 40 8.376 1.069 -10.611
334 1HA GLY 40 2HA GLY 40 9.835 -0.624 -12.522
335 2HA GLY 40 1HA GLY 40 8.350 -1.052 -11.675
336 H PHE 41 H PHE 41 7.385 1.782 -12.377
337 HA PHE 41 HA PHE 41 5.833 1.082 -14.636
338 1HB PHE 41 2HB PHE 41 5.539 2.940 -12.742
339 2HB PHE 41 1HB PHE 41 6.277 3.958 -13.977
340 HD1 PHE 41 HD1 PHE 41 5.279 3.583 -16.442
341 HD2 PHE 41 HD2 PHE 41 3.229 2.684 -12.776
342 HE1 PHE 41 HE1 PHE 41 3.105 3.709 -17.627
343 HE2 PHE 41 HE2 PHE 41 1.056 2.810 -13.960
344 HZ PHE 41 HZ PHE 41 0.992 3.322 -16.385
345 H ARG 42 H ARG 42 6.976 0.547 -16.435
346 HA ARG 42 HA ARG 42 9.215 2.078 -17.387
347 1HB ARG 42 2HB ARG 42 7.582 -0.189 -18.528
348 2HB ARG 42 1HB ARG 42 8.843 0.612 -19.467
349 1HG ARG 42 2HG ARG 42 10.509 0.067 -17.757
350 2HG ARG 42 1HG ARG 42 9.261 -0.661 -16.743
351 1HD ARG 42 2HD ARG 42 8.857 -2.400 -18.368
352 2HD ARG 42 1HD ARG 42 9.894 -1.608 -19.552
353 HE ARG 42 HE ARG 42 11.366 -2.174 -17.183
354 1HH1 ARG 42 1HH2 ARG 42 9.917 -3.673 -19.958
355 2HH1 ARG 42 2HH2 ARG 42 11.034 -4.997 -19.991
356 1HH2 ARG 42 1HH1 ARG 42 12.824 -3.906 -17.231
357 2HH2 ARG 42 2HH1 ARG 42 12.679 -5.126 -18.450
Start of MODEL 10
1 1H MET 1 1HT MET 1 4.756 -3.517 -14.035
2 2H MET 1 2HT MET 1 4.141 -4.540 -12.826
3 3H MET 1 3HT MET 1 3.233 -3.206 -13.355
4 HA MET 1 HA MET 1 2.264 -4.424 -14.903
5 1HB MET 1 2HB MET 1 3.671 -5.448 -16.705
6 2HB MET 1 1HB MET 1 4.090 -3.767 -16.382
7 1HG MET 1 2HG MET 1 6.218 -4.514 -16.177
8 2HG MET 1 1HG MET 1 5.708 -5.132 -14.606
9 1HE MET 1 1HE MET 1 7.946 -6.254 -17.148
10 2HE MET 1 2HE MET 1 8.020 -7.814 -16.328
11 3HE MET 1 3HE MET 1 7.982 -6.328 -15.382
12 H ILE 2 H ILE 2 2.638 -5.576 -12.356
13 HA ILE 2 HA ILE 2 3.148 -8.429 -12.907
14 HB ILE 2 HB ILE 2 2.563 -7.409 -10.155
15 1HG1 ILE 2 2HG1 ILE 2 5.175 -6.985 -11.651
16 2HG1 ILE 2 1HG1 ILE 2 4.130 -5.731 -10.988
17 1HG2 ILE 2 1HG2 ILE 2 3.034 -9.848 -10.863
18 2HG2 ILE 2 2HG2 ILE 2 3.944 -9.216 -9.493
19 3HG2 ILE 2 3HG2 ILE 2 4.706 -9.328 -11.080
20 1HD1 ILE 2 1HD1 ILE 2 5.835 -5.977 -9.363
21 2HD1 ILE 2 2HD1 ILE 2 5.818 -7.736 -9.493
22 3HD1 ILE 2 3HD1 ILE 2 4.479 -6.898 -8.711
23 H SER 3 H SER 3 0.789 -6.358 -11.210
24 HA SER 3 HA SER 3 -1.404 -6.765 -10.594
25 1HB SER 3 2HB SER 3 -1.329 -7.554 -13.508
26 2HB SER 3 1HB SER 3 -2.820 -7.348 -12.599
27 HG SER 3 HG SER 3 -2.176 -5.202 -12.180
28 H ASN 4 H ASN 4 -0.856 -8.503 -9.106
29 HA ASN 4 HA ASN 4 -2.266 -10.948 -9.782
30 1HB ASN 4 2HB ASN 4 -0.393 -12.433 -9.169
31 2HB ASN 4 1HB ASN 4 -0.006 -11.462 -10.586
32 1HD2 ASN 4 1HD2 ASN 4 2.212 -12.388 -9.365
33 2HD2 ASN 4 2HD2 ASN 4 2.963 -11.196 -8.418
34 H ALA 5 H ALA 5 -0.746 -12.221 -7.461
35 HA ALA 5 HA ALA 5 -2.571 -11.479 -5.410
36 1HB ALA 5 1HB ALA 5 -1.161 -12.960 -3.979
37 2HB ALA 5 2HB ALA 5 -0.024 -13.111 -5.319
38 3HB ALA 5 3HB ALA 5 -1.669 -13.725 -5.484
39 H LYS 6 H LYS 6 0.652 -10.444 -6.271
40 HA LYS 6 HA LYS 6 1.366 -9.249 -3.796
41 1HB LYS 6 2HB LYS 6 2.516 -9.517 -6.390
42 2HB LYS 6 1HB LYS 6 2.524 -7.802 -5.984
43 1HG LYS 6 2HG LYS 6 3.468 -9.911 -4.034
44 2HG LYS 6 1HG LYS 6 4.552 -9.174 -5.213
45 1HD LYS 6 2HD LYS 6 4.431 -7.071 -4.219
46 2HD LYS 6 1HD LYS 6 2.861 -7.395 -3.484
47 1HE LYS 6 2HE LYS 6 4.895 -7.368 -1.908
48 2HE LYS 6 1HE LYS 6 3.814 -8.756 -1.788
49 1HZ LYS 6 1HZ LYS 6 6.092 -9.488 -1.853
50 2HZ LYS 6 2HZ LYS 6 6.369 -8.641 -3.297
51 3HZ LYS 6 3HZ LYS 6 5.311 -9.969 -3.279
52 H ILE 7 H ILE 7 0.199 -7.741 -6.830
53 HA ILE 7 HA ILE 7 -0.194 -5.172 -5.772
54 HB ILE 7 HB ILE 7 -1.379 -6.651 -8.111
55 1HG1 ILE 7 2HG1 ILE 7 -0.159 -4.902 -9.357
56 2HG1 ILE 7 1HG1 ILE 7 0.325 -4.150 -7.837
57 1HG2 ILE 7 1HG2 ILE 7 -2.324 -4.280 -8.681
58 2HG2 ILE 7 2HG2 ILE 7 -2.237 -4.008 -6.941
59 3HG2 ILE 7 3HG2 ILE 7 -3.238 -5.312 -7.581
60 1HD1 ILE 7 1HD1 ILE 7 2.050 -5.692 -8.920
61 2HD1 ILE 7 2HD1 ILE 7 0.980 -7.028 -8.500
62 3HD1 ILE 7 3HD1 ILE 7 1.678 -6.022 -7.230
63 H ALA 8 H ALA 8 -2.377 -7.963 -5.960
64 HA ALA 8 HA ALA 8 -4.725 -6.781 -5.015
65 1HB ALA 8 1HB ALA 8 -5.215 -9.124 -4.110
66 2HB ALA 8 2HB ALA 8 -3.623 -9.579 -4.717
67 3HB ALA 8 3HB ALA 8 -4.863 -9.011 -5.835
68 H ARG 9 H ARG 9 -1.842 -7.827 -3.313
69 HA ARG 9 HA ARG 9 -2.903 -7.709 -0.674
70 1HB ARG 9 2HB ARG 9 -0.712 -8.789 -1.473
71 2HB ARG 9 1HB ARG 9 -0.034 -7.162 -1.417
72 1HG ARG 9 2HG ARG 9 -0.596 -6.961 0.949
73 2HG ARG 9 1HG ARG 9 -1.398 -8.532 0.921
74 1HD ARG 9 2HD ARG 9 1.525 -8.137 0.233
75 2HD ARG 9 1HD ARG 9 0.955 -8.568 1.843
76 HE ARG 9 HE ARG 9 0.034 -10.321 -0.288
77 1HH1 ARG 9 1HH2 ARG 9 2.437 -9.638 2.121
78 2HH1 ARG 9 2HH2 ARG 9 2.996 -11.273 2.219
79 1HH2 ARG 9 1HH1 ARG 9 0.772 -12.464 -0.162
80 2HH2 ARG 9 2HH1 ARG 9 2.054 -12.873 0.928
81 H ILE 10 H ILE 10 -0.780 -5.440 -2.429
82 HA ILE 10 HA ILE 10 -0.759 -3.359 -0.595
83 HB ILE 10 HB ILE 10 -0.552 -3.295 -3.609
84 1HG1 ILE 10 2HG1 ILE 10 1.715 -2.831 -1.717
85 2HG1 ILE 10 1HG1 ILE 10 1.119 -4.482 -1.882
86 1HG2 ILE 10 1HG2 ILE 10 -0.252 -1.132 -1.528
87 2HG2 ILE 10 2HG2 ILE 10 -1.065 -1.058 -3.091
88 3HG2 ILE 10 3HG2 ILE 10 0.696 -1.078 -3.015
89 1HD1 ILE 10 1HD1 ILE 10 1.857 -2.750 -4.253
90 2HD1 ILE 10 2HD1 ILE 10 1.524 -4.481 -4.252
91 3HD1 ILE 10 3HD1 ILE 10 2.985 -3.864 -3.482
92 H ASN 11 H ASN 11 -2.805 -3.404 -3.550
93 HA ASN 11 HA ASN 11 -4.278 -1.124 -2.937
94 1HB ASN 11 2HB ASN 11 -5.889 -1.865 -4.576
95 2HB ASN 11 1HB ASN 11 -4.277 -2.277 -5.144
96 1HD2 ASN 11 1HD2 ASN 11 -6.982 -3.580 -5.709
97 2HD2 ASN 11 2HD2 ASN 11 -6.749 -5.214 -5.312
98 H GLU 12 H GLU 12 -4.884 -4.486 -1.995
99 HA GLU 12 HA GLU 12 -7.428 -4.092 -0.828
100 1HB GLU 12 2HB GLU 12 -6.608 -6.332 -1.285
101 2HB GLU 12 1HB GLU 12 -5.255 -6.103 -0.179
102 1HG GLU 12 2HG GLU 12 -6.718 -6.003 1.725
103 2HG GLU 12 1HG GLU 12 -8.147 -5.910 0.698
104 H LEU 13 H LEU 13 -4.168 -4.098 0.612
105 HA LEU 13 HA LEU 13 -4.945 -3.457 3.246
106 1HB LEU 13 2HB LEU 13 -2.597 -4.130 2.096
107 2HB LEU 13 1HB LEU 13 -2.356 -2.392 2.246
108 HG LEU 13 HG LEU 13 -3.122 -4.277 4.500
109 1HD1 LEU 13 1HD1 LEU 13 -0.555 -2.829 3.803
110 2HD1 LEU 13 2HD1 LEU 13 -0.799 -4.573 3.900
111 3HD1 LEU 13 3HD1 LEU 13 -0.851 -3.592 5.364
112 1HD2 LEU 13 1HD2 LEU 13 -2.405 -2.046 5.770
113 2HD2 LEU 13 2HD2 LEU 13 -4.060 -2.271 5.207
114 3HD2 LEU 13 3HD2 LEU 13 -2.934 -1.292 4.267
115 H ALA 14 H ALA 14 -3.957 -1.405 0.516
116 HA ALA 14 HA ALA 14 -3.991 1.079 1.783
117 1HB ALA 14 1HB ALA 14 -3.145 0.789 -0.490
118 2HB ALA 14 2HB ALA 14 -4.413 2.014 -0.476
119 3HB ALA 14 3HB ALA 14 -4.764 0.389 -1.064
120 H ALA 15 H ALA 15 -6.633 -0.657 0.154
121 HA ALA 15 HA ALA 15 -8.637 1.285 0.549
122 1HB ALA 15 1HB ALA 15 -8.640 -0.863 -0.923
123 2HB ALA 15 2HB ALA 15 -10.151 -0.341 -0.178
124 3HB ALA 15 3HB ALA 15 -9.227 -1.661 0.538
125 H LYS 16 H LYS 16 -7.477 -1.365 2.551
126 HA LYS 16 HA LYS 16 -9.492 -1.311 4.527
127 1HB LYS 16 2HB LYS 16 -6.651 -2.282 4.451
128 2HB LYS 16 1HB LYS 16 -7.528 -2.250 5.980
129 1HG LYS 16 2HG LYS 16 -9.340 -3.597 4.949
130 2HG LYS 16 1HG LYS 16 -8.418 -3.662 3.447
131 1HD LYS 16 2HD LYS 16 -6.700 -4.973 4.416
132 2HD LYS 16 1HD LYS 16 -7.216 -4.590 6.059
133 1HE LYS 16 2HE LYS 16 -9.069 -6.031 5.950
134 2HE LYS 16 1HE LYS 16 -9.076 -6.040 4.185
135 1HZ LYS 16 1HZ LYS 16 -7.233 -7.435 4.107
136 2HZ LYS 16 2HZ LYS 16 -8.165 -8.080 5.374
137 3HZ LYS 16 3HZ LYS 16 -6.798 -7.129 5.718
138 H ALA 17 H ALA 17 -6.171 -0.027 4.720
139 HA ALA 17 HA ALA 17 -6.583 1.497 7.046
140 1HB ALA 17 1HB ALA 17 -4.346 0.923 6.270
141 2HB ALA 17 2HB ALA 17 -4.505 2.676 6.383
142 3HB ALA 17 3HB ALA 17 -4.581 1.883 4.808
143 H LYS 18 H LYS 18 -7.592 2.021 3.797
144 HA LYS 18 HA LYS 18 -7.697 4.893 3.909
145 1HB LYS 18 2HB LYS 18 -7.678 3.680 1.756
146 2HB LYS 18 1HB LYS 18 -9.250 2.985 2.138
147 1HG LYS 18 2HG LYS 18 -10.301 5.155 2.129
148 2HG LYS 18 1HG LYS 18 -8.738 5.968 2.014
149 1HD LYS 18 2HD LYS 18 -9.319 3.969 -0.106
150 2HD LYS 18 1HD LYS 18 -10.293 5.438 -0.144
151 1HE LYS 18 2HE LYS 18 -8.278 5.761 -1.490
152 2HE LYS 18 1HE LYS 18 -8.202 6.793 -0.063
153 1HZ LYS 18 1HZ LYS 18 -7.049 4.099 0.076
154 2HZ LYS 18 2HZ LYS 18 -6.589 5.516 0.893
155 3HZ LYS 18 3HZ LYS 18 -6.187 5.308 -0.744
156 H ALA 19 H ALA 19 -10.392 2.570 3.725
157 HA ALA 19 HA ALA 19 -12.206 4.432 4.985
158 1HB ALA 19 1HB ALA 19 -12.533 1.527 4.195
159 2HB ALA 19 2HB ALA 19 -13.032 2.933 3.256
160 3HB ALA 19 3HB ALA 19 -13.834 2.563 4.782
161 H GLY 20 H GLY 20 -9.860 2.378 6.154
162 1HA GLY 20 2HA GLY 20 -11.299 1.749 8.646
163 2HA GLY 20 1HA GLY 20 -9.780 1.030 8.125
164 H VAL 21 H VAL 21 -8.656 3.650 7.348
165 HA VAL 21 HA VAL 21 -7.192 5.149 8.304
166 HB VAL 21 HB VAL 21 -9.518 5.603 10.194
167 1HG1 VAL 21 1HG1 VAL 21 -7.523 6.746 10.953
168 2HG1 VAL 21 2HG1 VAL 21 -8.568 7.944 10.191
169 3HG1 VAL 21 3HG1 VAL 21 -7.168 7.314 9.321
170 1HG2 VAL 21 1HG2 VAL 21 -8.917 6.719 7.437
171 2HG2 VAL 21 2HG2 VAL 21 -10.153 7.362 8.517
172 3HG2 VAL 21 3HG2 VAL 21 -10.297 5.720 7.890
173 H ILE 22 H ILE 22 -5.886 3.290 8.996
174 HA ILE 22 HA ILE 22 -6.064 2.540 11.803
175 HB ILE 22 HB ILE 22 -4.135 1.039 11.223
176 1HG1 ILE 22 2HG1 ILE 22 -4.670 2.076 8.417
177 2HG1 ILE 22 1HG1 ILE 22 -3.242 2.467 9.372
178 1HG2 ILE 22 1HG2 ILE 22 -6.481 0.282 11.085
179 2HG2 ILE 22 2HG2 ILE 22 -5.494 -0.471 9.833
180 3HG2 ILE 22 3HG2 ILE 22 -6.570 0.865 9.422
181 1HD1 ILE 22 1HD1 ILE 22 -2.795 -0.024 9.539
182 2HD1 ILE 22 2HD1 ILE 22 -2.630 0.652 7.919
183 3HD1 ILE 22 3HD1 ILE 22 -4.077 -0.259 8.351
184 H THR 23 H THR 23 -2.900 2.280 11.342
185 HA THR 23 HA THR 23 -2.337 4.918 12.544
186 HB THR 23 HB THR 23 -0.702 2.375 12.721
187 HG1 THR 23 HG1 THR 23 -2.108 3.453 14.867
188 1HG2 THR 23 1HG2 THR 23 -0.527 5.116 13.974
189 2HG2 THR 23 2HG2 THR 23 0.736 4.199 13.157
190 3HG2 THR 23 3HG2 THR 23 0.189 3.707 14.758
191 H GLU 24 H GLU 24 -0.744 6.206 11.742
192 HA GLU 24 HA GLU 24 -0.123 6.189 9.039
193 1HB GLU 24 2HB GLU 24 1.164 7.516 11.414
194 2HB GLU 24 1HB GLU 24 1.819 7.728 9.789
195 1HG GLU 24 2HG GLU 24 0.196 9.520 10.391
196 2HG GLU 24 1HG GLU 24 -0.329 8.584 8.993
197 H GLU 25 H GLU 25 1.463 4.538 11.670
198 HA GLU 25 HA GLU 25 3.977 4.039 10.557
199 1HB GLU 25 2HB GLU 25 3.291 3.507 12.904
200 2HB GLU 25 1HB GLU 25 2.348 2.153 12.282
201 1HG GLU 25 2HG GLU 25 4.589 1.436 13.078
202 2HG GLU 25 1HG GLU 25 4.372 1.128 11.358
203 H GLU 26 H GLU 26 0.995 2.096 10.366
204 HA GLU 26 HA GLU 26 2.045 0.105 8.642
205 1HB GLU 26 2HB GLU 26 -0.747 1.009 9.329
206 2HB GLU 26 1HB GLU 26 -0.463 -0.246 8.123
207 1HG GLU 26 2HG GLU 26 0.958 -0.511 10.735
208 2HG GLU 26 1HG GLU 26 -0.776 -0.829 10.718
209 H LYS 27 H LYS 27 0.100 3.018 8.021
210 HA LYS 27 HA LYS 27 -0.196 2.786 5.265
211 1HB LYS 27 2HB LYS 27 0.154 5.301 6.919
212 2HB LYS 27 1HB LYS 27 -0.503 5.231 5.287
213 1HG LYS 27 2HG LYS 27 -2.283 3.679 6.127
214 2HG LYS 27 1HG LYS 27 -1.674 3.940 7.762
215 1HD LYS 27 2HD LYS 27 -2.021 6.416 7.406
216 2HD LYS 27 1HD LYS 27 -2.833 6.023 5.891
217 1HE LYS 27 2HE LYS 27 -4.594 4.888 6.999
218 2HE LYS 27 1HE LYS 27 -3.684 4.771 8.504
219 1HZ LYS 27 1HZ LYS 27 -4.019 7.471 7.609
220 2HZ LYS 27 2HZ LYS 27 -4.340 6.786 9.128
221 3HZ LYS 27 3HZ LYS 27 -5.501 6.694 7.889
222 H ALA 28 H ALA 28 2.453 4.208 7.156
223 HA ALA 28 HA ALA 28 3.952 5.244 5.015
224 1HB ALA 28 1HB ALA 28 4.928 4.150 7.668
225 2HB ALA 28 2HB ALA 28 4.412 5.807 7.362
226 3HB ALA 28 3HB ALA 28 5.860 5.177 6.578
227 H GLU 29 H GLU 29 3.896 2.048 6.507
228 HA GLU 29 HA GLU 29 6.088 0.905 5.173
229 1HB GLU 29 2HB GLU 29 4.909 -0.117 7.113
230 2HB GLU 29 1HB GLU 29 3.542 -0.482 6.063
231 1HG GLU 29 2HG GLU 29 4.958 -1.894 4.653
232 2HG GLU 29 1HG GLU 29 6.374 -1.473 5.610
233 H GLN 30 H GLN 30 2.675 0.187 4.440
234 HA GLN 30 HA GLN 30 3.060 -0.928 1.930
235 1HB GLN 30 2HB GLN 30 0.672 -0.367 1.507
236 2HB GLN 30 1HB GLN 30 0.936 -1.114 3.082
237 1HG GLN 30 2HG GLN 30 0.870 1.067 4.176
238 2HG GLN 30 1HG GLN 30 0.737 1.877 2.618
239 1HE2 GLN 30 1HE2 GLN 30 -1.073 -0.835 2.164
240 2HE2 GLN 30 2HE2 GLN 30 -2.587 -0.266 2.672
241 H GLN 31 H GLN 31 2.882 2.464 2.836
242 HA GLN 31 HA GLN 31 2.371 3.622 0.347
243 1HB GLN 31 2HB GLN 31 2.345 4.988 2.325
244 2HB GLN 31 1HB GLN 31 4.038 4.627 2.660
245 1HG GLN 31 2HG GLN 31 4.785 5.877 0.773
246 2HG GLN 31 1HG GLN 31 3.157 5.972 0.099
247 1HE2 GLN 31 1HE2 GLN 31 5.386 7.879 1.607
248 2HE2 GLN 31 2HE2 GLN 31 4.350 8.943 2.431
249 H LYS 32 H LYS 32 5.415 2.437 1.714
250 HA LYS 32 HA LYS 32 7.182 3.496 -0.194
251 1HB LYS 32 2HB LYS 32 7.251 1.035 1.539
252 2HB LYS 32 1HB LYS 32 8.539 1.356 0.377
253 1HG LYS 32 2HG LYS 32 9.125 3.405 1.434
254 2HG LYS 32 1HG LYS 32 7.636 3.433 2.379
255 1HD LYS 32 2HD LYS 32 9.500 2.743 3.806
256 2HD LYS 32 1HD LYS 32 8.391 1.389 3.582
257 1HE LYS 32 2HE LYS 32 9.840 0.299 2.068
258 2HE LYS 32 1HE LYS 32 10.770 1.765 1.765
259 1HZ LYS 32 1HZ LYS 32 10.775 0.055 4.176
260 2HZ LYS 32 2HZ LYS 32 11.362 1.649 4.212
261 3HZ LYS 32 3HZ LYS 32 12.083 0.496 3.193
262 H LEU 33 H LEU 33 5.745 0.237 -0.091
263 HA LEU 33 HA LEU 33 6.614 -0.619 -2.608
264 1HB LEU 33 2HB LEU 33 4.010 -1.445 -1.315
265 2HB LEU 33 1HB LEU 33 5.027 -2.390 -2.403
266 HG LEU 33 HG LEU 33 5.694 -1.531 0.431
267 1HD1 LEU 33 1HD1 LEU 33 5.985 -4.081 0.619
268 2HD1 LEU 33 2HD1 LEU 33 5.139 -4.176 -0.926
269 3HD1 LEU 33 3HD1 LEU 33 4.332 -3.480 0.481
270 1HD2 LEU 33 1HD2 LEU 33 7.400 -2.734 -1.759
271 2HD2 LEU 33 2HD2 LEU 33 7.798 -2.952 -0.056
272 3HD2 LEU 33 3HD2 LEU 33 7.752 -1.332 -0.749
273 H ARG 34 H ARG 34 3.827 1.321 -1.676
274 HA ARG 34 HA ARG 34 2.440 1.165 -4.151
275 1HB ARG 34 2HB ARG 34 1.455 1.962 -1.986
276 2HB ARG 34 1HB ARG 34 2.388 3.448 -2.168
277 1HG ARG 34 2HG ARG 34 1.278 3.889 -4.329
278 2HG ARG 34 1HG ARG 34 0.347 2.402 -4.157
279 1HD ARG 34 2HD ARG 34 -1.147 4.004 -3.342
280 2HD ARG 34 1HD ARG 34 -0.388 3.423 -1.863
281 HE ARG 34 HE ARG 34 1.108 5.607 -2.820
282 1HH1 ARG 34 1HH2 ARG 34 -2.017 4.855 -1.524
283 2HH1 ARG 34 2HH2 ARG 34 -2.257 6.421 -0.826
284 1HH2 ARG 34 1HH1 ARG 34 0.800 7.662 -1.903
285 2HH2 ARG 34 2HH1 ARG 34 -0.663 8.012 -1.042
286 H GLN 35 H GLN 35 4.647 3.619 -2.811
287 HA GLN 35 HA GLN 35 4.690 5.325 -5.055
288 1HB GLN 35 2HB GLN 35 6.689 4.832 -2.840
289 2HB GLN 35 1HB GLN 35 6.875 6.101 -4.047
290 1HG GLN 35 2HG GLN 35 4.706 7.065 -3.385
291 2HG GLN 35 1HG GLN 35 4.509 5.795 -2.179
292 1HE2 GLN 35 1HE2 GLN 35 6.614 5.654 -0.647
293 2HE2 GLN 35 2HE2 GLN 35 7.177 7.156 -0.089
294 H GLU 36 H GLU 36 6.504 2.435 -4.230
295 HA GLU 36 HA GLU 36 8.518 2.647 -6.217
296 1HB GLU 36 2HB GLU 36 8.685 1.150 -4.261
297 2HB GLU 36 1HB GLU 36 7.367 0.172 -4.901
298 1HG GLU 36 2HG GLU 36 9.845 0.710 -6.536
299 2HG GLU 36 1HG GLU 36 9.794 -0.609 -5.371
300 H TYR 37 H TYR 37 5.402 0.923 -6.142
301 HA TYR 37 HA TYR 37 5.478 -0.380 -8.569
302 1HB TYR 37 2HB TYR 37 3.648 -0.551 -6.889
303 2HB TYR 37 1HB TYR 37 3.060 1.027 -7.413
304 HD1 TYR 37 HD1 TYR 37 1.615 1.206 -9.274
305 HD2 TYR 37 HD2 TYR 37 3.892 -2.395 -8.694
306 HE1 TYR 37 HE1 TYR 37 0.386 0.123 -11.135
307 HE2 TYR 37 HE2 TYR 37 2.659 -3.473 -10.554
308 HH TYR 37 HH TYR 37 1.408 -2.748 -12.583
309 H LEU 38 H LEU 38 4.830 3.033 -7.951
310 HA LEU 38 HA LEU 38 3.862 3.769 -10.484
311 1HB LEU 38 2HB LEU 38 5.608 5.501 -8.721
312 2HB LEU 38 1HB LEU 38 4.399 6.029 -9.891
313 HG LEU 38 HG LEU 38 3.791 4.407 -7.398
314 1HD1 LEU 38 1HD1 LEU 38 4.550 6.732 -6.917
315 2HD1 LEU 38 2HD1 LEU 38 2.854 6.479 -6.504
316 3HD1 LEU 38 3HD1 LEU 38 3.283 7.340 -7.982
317 1HD2 LEU 38 1HD2 LEU 38 2.151 5.502 -9.672
318 2HD2 LEU 38 2HD2 LEU 38 1.428 5.370 -8.069
319 3HD2 LEU 38 3HD2 LEU 38 2.042 3.929 -8.880
320 H LYS 39 H LYS 39 7.217 3.904 -9.239
321 HA LYS 39 HA LYS 39 8.388 4.748 -11.668
322 1HB LYS 39 2HB LYS 39 9.608 4.900 -9.564
323 2HB LYS 39 1HB LYS 39 9.570 3.146 -9.382
324 1HG LYS 39 2HG LYS 39 11.098 2.797 -11.123
325 2HG LYS 39 1HG LYS 39 10.762 4.362 -11.862
326 1HD LYS 39 2HD LYS 39 11.913 5.523 -10.064
327 2HD LYS 39 1HD LYS 39 12.132 4.015 -9.178
328 1HE LYS 39 2HE LYS 39 13.216 4.380 -11.972
329 2HE LYS 39 1HE LYS 39 14.137 4.873 -10.552
330 1HZ LYS 39 1HZ LYS 39 13.272 2.170 -11.345
331 2HZ LYS 39 2HZ LYS 39 13.629 2.519 -9.722
332 3HZ LYS 39 3HZ LYS 39 14.821 2.710 -10.920
333 H GLY 40 H GLY 40 7.352 1.636 -10.495
334 1HA GLY 40 2HA GLY 40 8.727 0.137 -12.571
335 2HA GLY 40 1HA GLY 40 7.644 -0.513 -11.348
336 H PHE 41 H PHE 41 6.181 2.158 -12.735
337 HA PHE 41 HA PHE 41 5.171 1.070 -15.164
338 1HB PHE 41 2HB PHE 41 4.092 -0.408 -13.333
339 2HB PHE 41 1HB PHE 41 3.138 1.017 -12.939
340 HD1 PHE 41 HD1 PHE 41 4.199 -0.970 -15.953
341 HD2 PHE 41 HD2 PHE 41 1.124 1.342 -14.039
342 HE1 PHE 41 HE1 PHE 41 2.660 -1.457 -17.836
343 HE2 PHE 41 HE2 PHE 41 -0.415 0.852 -15.921
344 HZ PHE 41 HZ PHE 41 0.353 -0.549 -17.819
345 H ARG 42 H ARG 42 5.384 3.086 -16.016
346 HA ARG 42 HA ARG 42 4.838 5.232 -16.584
347 1HB ARG 42 2HB ARG 42 2.566 4.344 -16.745
348 2HB ARG 42 1HB ARG 42 2.316 4.617 -15.022
349 1HG ARG 42 2HG ARG 42 2.338 6.962 -15.263
350 2HG ARG 42 1HG ARG 42 3.140 6.885 -16.832
351 1HD ARG 42 2HD ARG 42 0.323 5.913 -16.278
352 2HD ARG 42 1HD ARG 42 0.725 7.455 -17.028
353 HE ARG 42 HE ARG 42 1.889 5.177 -18.379
354 1HH1 ARG 42 1HH2 ARG 42 -0.892 7.223 -18.024
355 2HH1 ARG 42 2HH2 ARG 42 -1.508 6.887 -19.608
356 1HH2 ARG 42 1HH1 ARG 42 1.080 4.735 -20.447
357 2HH2 ARG 42 2HH1 ARG 42 -0.393 5.477 -20.977
Start of MODEL 11
1 1H MET 1 1HT MET 1 6.263 -6.949 -15.949
2 2H MET 1 2HT MET 1 5.045 -8.098 -15.659
3 3H MET 1 3HT MET 1 6.011 -7.536 -14.377
4 HA MET 1 HA MET 1 5.083 -5.225 -15.050
5 1HB MET 1 2HB MET 1 2.929 -7.127 -16.029
6 2HB MET 1 1HB MET 1 2.807 -5.369 -15.950
7 1HG MET 1 2HG MET 1 3.419 -5.656 -18.175
8 2HG MET 1 1HG MET 1 5.003 -5.465 -17.425
9 1HE MET 1 1HE MET 1 5.558 -6.616 -19.948
10 2HE MET 1 2HE MET 1 6.423 -8.102 -19.570
11 3HE MET 1 3HE MET 1 6.677 -6.667 -18.579
12 H ILE 2 H ILE 2 4.762 -8.175 -13.469
13 HA ILE 2 HA ILE 2 3.910 -8.834 -11.448
14 HB ILE 2 HB ILE 2 4.108 -5.853 -10.944
15 1HG1 ILE 2 2HG1 ILE 2 5.910 -8.142 -10.092
16 2HG1 ILE 2 1HG1 ILE 2 6.215 -7.130 -11.504
17 1HG2 ILE 2 1HG2 ILE 2 4.163 -6.649 -8.508
18 2HG2 ILE 2 2HG2 ILE 2 3.524 -8.182 -9.099
19 3HG2 ILE 2 3HG2 ILE 2 2.590 -6.701 -9.301
20 1HD1 ILE 2 1HD1 ILE 2 7.466 -6.341 -9.508
21 2HD1 ILE 2 2HD1 ILE 2 5.938 -6.105 -8.662
22 3HD1 ILE 2 3HD1 ILE 2 6.317 -5.134 -10.085
23 H SER 3 H SER 3 1.942 -9.647 -12.064
24 HA SER 3 HA SER 3 -0.379 -7.984 -11.384
25 1HB SER 3 2HB SER 3 -1.579 -8.808 -13.414
26 2HB SER 3 1HB SER 3 -0.225 -7.746 -13.792
27 HG SER 3 HG SER 3 -0.017 -10.573 -13.688
28 H ASN 4 H ASN 4 -0.007 -9.463 -9.496
29 HA ASN 4 HA ASN 4 -1.567 -11.929 -9.889
30 1HB ASN 4 2HB ASN 4 -0.025 -13.174 -8.432
31 2HB ASN 4 1HB ASN 4 0.797 -12.590 -9.875
32 1HD2 ASN 4 1HD2 ASN 4 2.270 -10.724 -9.621
33 2HD2 ASN 4 2HD2 ASN 4 2.896 -10.331 -8.093
34 H ALA 5 H ALA 5 -1.131 -12.746 -7.137
35 HA ALA 5 HA ALA 5 -3.279 -11.452 -5.881
36 1HB ALA 5 1HB ALA 5 -1.031 -13.091 -4.694
37 2HB ALA 5 2HB ALA 5 -2.599 -13.688 -5.239
38 3HB ALA 5 3HB ALA 5 -2.499 -12.630 -3.832
39 H LYS 6 H LYS 6 -0.066 -10.400 -6.280
40 HA LYS 6 HA LYS 6 0.283 -8.930 -3.869
41 1HB LYS 6 2HB LYS 6 1.589 -9.013 -6.546
42 2HB LYS 6 1HB LYS 6 1.841 -7.565 -5.569
43 1HG LYS 6 2HG LYS 6 2.769 -8.824 -3.762
44 2HG LYS 6 1HG LYS 6 2.225 -10.352 -4.455
45 1HD LYS 6 2HD LYS 6 4.609 -10.113 -4.874
46 2HD LYS 6 1HD LYS 6 3.748 -9.955 -6.404
47 1HE LYS 6 2HE LYS 6 4.030 -7.599 -6.445
48 2HE LYS 6 1HE LYS 6 4.469 -7.540 -4.739
49 1HZ LYS 6 1HZ LYS 6 6.514 -7.429 -5.696
50 2HZ LYS 6 2HZ LYS 6 6.072 -8.356 -7.048
51 3HZ LYS 6 3HZ LYS 6 6.371 -9.112 -5.555
52 H ILE 7 H ILE 7 -1.003 -8.095 -7.067
53 HA ILE 7 HA ILE 7 -1.402 -5.349 -6.671
54 HB ILE 7 HB ILE 7 -3.209 -7.212 -8.236
55 1HG1 ILE 7 2HG1 ILE 7 -0.949 -7.646 -8.960
56 2HG1 ILE 7 1HG1 ILE 7 -1.681 -6.583 -10.160
57 1HG2 ILE 7 1HG2 ILE 7 -3.882 -5.307 -9.444
58 2HG2 ILE 7 2HG2 ILE 7 -2.500 -4.357 -8.901
59 3HG2 ILE 7 3HG2 ILE 7 -3.814 -4.721 -7.782
60 1HD1 ILE 7 1HD1 ILE 7 -0.662 -4.668 -8.659
61 2HD1 ILE 7 2HD1 ILE 7 0.366 -5.525 -9.805
62 3HD1 ILE 7 3HD1 ILE 7 0.407 -5.953 -8.095
63 H ALA 8 H ALA 8 -3.525 -8.111 -5.994
64 HA ALA 8 HA ALA 8 -5.734 -6.686 -5.018
65 1HB ALA 8 1HB ALA 8 -5.458 -9.224 -5.545
66 2HB ALA 8 2HB ALA 8 -6.538 -8.738 -4.237
67 3HB ALA 8 3HB ALA 8 -4.921 -9.342 -3.869
68 H ARG 9 H ARG 9 -2.773 -7.781 -3.435
69 HA ARG 9 HA ARG 9 -3.477 -7.256 -0.770
70 1HB ARG 9 2HB ARG 9 -1.350 -8.386 -1.755
71 2HB ARG 9 1HB ARG 9 -0.705 -6.746 -1.820
72 1HG ARG 9 2HG ARG 9 -1.469 -6.568 0.653
73 2HG ARG 9 1HG ARG 9 -1.571 -8.328 0.600
74 1HD ARG 9 2HD ARG 9 0.898 -6.727 -0.129
75 2HD ARG 9 1HD ARG 9 0.637 -7.510 1.426
76 HE ARG 9 HE ARG 9 0.425 -9.251 -0.901
77 1HH1 ARG 9 1HH2 ARG 9 2.407 -7.926 1.616
78 2HH1 ARG 9 2HH2 ARG 9 3.566 -9.212 1.564
79 1HH2 ARG 9 1HH1 ARG 9 1.943 -10.935 -0.967
80 2HH2 ARG 9 2HH1 ARG 9 3.306 -10.910 0.102
81 H ILE 10 H ILE 10 -1.903 -5.164 -3.187
82 HA ILE 10 HA ILE 10 -1.508 -2.892 -1.645
83 HB ILE 10 HB ILE 10 -2.227 -3.154 -4.575
84 1HG1 ILE 10 2HG1 ILE 10 0.428 -2.445 -3.306
85 2HG1 ILE 10 1HG1 ILE 10 -0.041 -4.118 -3.602
86 1HG2 ILE 10 1HG2 ILE 10 -1.202 -0.810 -4.680
87 2HG2 ILE 10 2HG2 ILE 10 -1.428 -0.741 -2.933
88 3HG2 ILE 10 3HG2 ILE 10 -2.824 -0.915 -3.998
89 1HD1 ILE 10 1HD1 ILE 10 1.160 -3.519 -5.548
90 2HD1 ILE 10 2HD1 ILE 10 0.424 -1.918 -5.616
91 3HD1 ILE 10 3HD1 ILE 10 -0.528 -3.345 -6.026
92 H ASN 11 H ASN 11 -4.304 -3.452 -3.814
93 HA ASN 11 HA ASN 11 -5.808 -1.278 -2.834
94 1HB ASN 11 2HB ASN 11 -7.492 -1.980 -4.253
95 2HB ASN 11 1HB ASN 11 -6.091 -2.731 -4.998
96 1HD2 ASN 11 1HD2 ASN 11 -6.426 -4.878 -5.514
97 2HD2 ASN 11 2HD2 ASN 11 -7.484 -5.929 -4.701
98 H GLU 12 H GLU 12 -5.695 -4.674 -1.847
99 HA GLU 12 HA GLU 12 -7.933 -4.661 -0.137
100 1HB GLU 12 2HB GLU 12 -6.770 -6.721 -0.864
101 2HB GLU 12 1HB GLU 12 -5.392 -6.283 0.146
102 1HG GLU 12 2HG GLU 12 -6.763 -6.390 2.152
103 2HG GLU 12 1HG GLU 12 -8.213 -6.663 1.187
104 H LEU 13 H LEU 13 -4.484 -4.388 0.742
105 HA LEU 13 HA LEU 13 -4.875 -3.746 3.438
106 1HB LEU 13 2HB LEU 13 -2.684 -4.141 1.805
107 2HB LEU 13 1HB LEU 13 -2.556 -2.429 2.209
108 HG LEU 13 HG LEU 13 -2.962 -4.630 4.259
109 1HD1 LEU 13 1HD1 LEU 13 -0.588 -4.327 4.798
110 2HD1 LEU 13 2HD1 LEU 13 -0.433 -3.127 3.515
111 3HD1 LEU 13 3HD1 LEU 13 -0.766 -4.812 3.112
112 1HD2 LEU 13 1HD2 LEU 13 -2.506 -1.648 4.376
113 2HD2 LEU 13 2HD2 LEU 13 -2.054 -2.683 5.731
114 3HD2 LEU 13 3HD2 LEU 13 -3.735 -2.607 5.202
115 H ALA 14 H ALA 14 -4.813 -1.704 0.560
116 HA ALA 14 HA ALA 14 -4.650 0.817 1.746
117 1HB ALA 14 1HB ALA 14 -4.572 0.397 -0.701
118 2HB ALA 14 2HB ALA 14 -5.717 1.667 -0.274
119 3HB ALA 14 3HB ALA 14 -6.301 0.053 -0.675
120 H ALA 15 H ALA 15 -7.666 -0.771 0.664
121 HA ALA 15 HA ALA 15 -9.391 0.990 2.040
122 1HB ALA 15 1HB ALA 15 -9.997 -0.567 0.130
123 2HB ALA 15 2HB ALA 15 -11.145 -0.524 1.469
124 3HB ALA 15 3HB ALA 15 -10.020 -1.874 1.314
125 H LYS 16 H LYS 16 -7.808 -2.002 2.988
126 HA LYS 16 HA LYS 16 -9.281 -2.569 5.321
127 1HB LYS 16 2HB LYS 16 -7.446 -3.978 4.108
128 2HB LYS 16 1HB LYS 16 -6.323 -3.088 5.135
129 1HG LYS 16 2HG LYS 16 -6.797 -4.915 6.493
130 2HG LYS 16 1HG LYS 16 -8.016 -3.768 7.048
131 1HD LYS 16 2HD LYS 16 -9.619 -4.780 5.389
132 2HD LYS 16 1HD LYS 16 -8.408 -6.019 5.055
133 1HE LYS 16 2HE LYS 16 -8.406 -6.616 7.480
134 2HE LYS 16 1HE LYS 16 -9.703 -5.451 7.738
135 1HZ LYS 16 1HZ LYS 16 -9.996 -7.521 5.673
136 2HZ LYS 16 2HZ LYS 16 -11.195 -6.709 6.559
137 3HZ LYS 16 3HZ LYS 16 -10.265 -7.924 7.298
138 H ALA 17 H ALA 17 -6.130 -0.945 4.982
139 HA ALA 17 HA ALA 17 -5.945 -0.025 7.631
140 1HB ALA 17 1HB ALA 17 -4.182 1.396 6.853
141 2HB ALA 17 2HB ALA 17 -4.796 1.359 5.199
142 3HB ALA 17 3HB ALA 17 -4.087 -0.091 5.910
143 H LYS 18 H LYS 18 -7.838 1.044 4.942
144 HA LYS 18 HA LYS 18 -8.232 3.738 5.919
145 1HB LYS 18 2HB LYS 18 -8.433 2.892 3.480
146 2HB LYS 18 1HB LYS 18 -10.044 2.356 3.957
147 1HG LYS 18 2HG LYS 18 -10.305 4.775 4.909
148 2HG LYS 18 1HG LYS 18 -8.945 5.158 3.854
149 1HD LYS 18 2HD LYS 18 -10.942 5.600 2.595
150 2HD LYS 18 1HD LYS 18 -10.259 4.107 1.952
151 1HE LYS 18 2HE LYS 18 -12.014 2.854 2.668
152 2HE LYS 18 1HE LYS 18 -12.120 3.711 4.205
153 1HZ LYS 18 1HZ LYS 18 -13.372 5.414 3.248
154 2HZ LYS 18 2HZ LYS 18 -14.029 3.997 2.584
155 3HZ LYS 18 3HZ LYS 18 -12.973 4.959 1.664
156 H ALA 19 H ALA 19 -10.651 1.174 5.350
157 HA ALA 19 HA ALA 19 -12.476 2.327 7.244
158 1HB ALA 19 1HB ALA 19 -13.429 1.183 5.381
159 2HB ALA 19 2HB ALA 19 -13.767 0.182 6.793
160 3HB ALA 19 3HB ALA 19 -12.467 -0.263 5.686
161 H GLY 20 H GLY 20 -9.725 0.506 7.668
162 1HA GLY 20 2HA GLY 20 -10.740 -0.919 10.041
163 2HA GLY 20 1HA GLY 20 -9.199 -1.216 9.242
164 H VAL 21 H VAL 21 -7.691 0.752 9.246
165 HA VAL 21 HA VAL 21 -7.905 2.718 11.276
166 HB VAL 21 HB VAL 21 -7.603 1.042 12.916
167 1HG1 VAL 21 1HG1 VAL 21 -5.483 -0.522 12.571
168 2HG1 VAL 21 2HG1 VAL 21 -5.786 -0.179 10.869
169 3HG1 VAL 21 3HG1 VAL 21 -7.038 -0.938 11.852
170 1HG2 VAL 21 1HG2 VAL 21 -5.864 3.036 12.773
171 2HG2 VAL 21 2HG2 VAL 21 -4.714 1.732 12.478
172 3HG2 VAL 21 3HG2 VAL 21 -5.655 1.758 13.970
173 H ILE 22 H ILE 22 -7.080 4.158 9.841
174 HA ILE 22 HA ILE 22 -4.581 3.560 8.450
175 HB ILE 22 HB ILE 22 -6.560 4.689 7.328
176 1HG1 ILE 22 2HG1 ILE 22 -5.072 6.431 6.209
177 2HG1 ILE 22 1HG1 ILE 22 -3.823 5.993 7.374
178 1HG2 ILE 22 1HG2 ILE 22 -6.927 6.202 9.382
179 2HG2 ILE 22 2HG2 ILE 22 -7.060 6.953 7.792
180 3HG2 ILE 22 3HG2 ILE 22 -5.594 7.171 8.749
181 1HD1 ILE 22 1HD1 ILE 22 -3.912 4.787 5.033
182 2HD1 ILE 22 2HD1 ILE 22 -5.180 3.828 5.795
183 3HD1 ILE 22 3HD1 ILE 22 -3.557 3.852 6.485
184 H THR 23 H THR 23 -2.679 4.715 8.729
185 HA THR 23 HA THR 23 -2.374 6.941 10.464
186 HB THR 23 HB THR 23 -2.759 5.523 12.321
187 HG1 THR 23 HG1 THR 23 0.040 5.415 11.906
188 1HG2 THR 23 1HG2 THR 23 -2.804 3.339 11.504
189 2HG2 THR 23 2HG2 THR 23 -1.310 3.331 12.441
190 3HG2 THR 23 3HG2 THR 23 -1.249 3.504 10.687
191 H GLU 24 H GLU 24 -0.060 7.446 10.840
192 HA GLU 24 HA GLU 24 1.461 7.431 8.553
193 1HB GLU 24 2HB GLU 24 2.372 7.527 11.438
194 2HB GLU 24 1HB GLU 24 3.424 7.871 10.065
195 1HG GLU 24 2HG GLU 24 0.825 9.323 10.645
196 2HG GLU 24 1HG GLU 24 2.425 9.936 11.059
197 H GLU 25 H GLU 25 1.283 4.965 11.048
198 HA GLU 25 HA GLU 25 3.548 3.447 10.384
199 1HB GLU 25 2HB GLU 25 0.883 2.434 11.407
200 2HB GLU 25 1HB GLU 25 2.431 1.597 11.518
201 1HG GLU 25 2HG GLU 25 3.259 3.059 13.133
202 2HG GLU 25 1HG GLU 25 2.183 4.367 12.650
203 H GLU 26 H GLU 26 0.181 2.624 9.538
204 HA GLU 26 HA GLU 26 0.885 0.753 7.536
205 1HB GLU 26 2HB GLU 26 -1.633 2.163 8.338
206 2HB GLU 26 1HB GLU 26 -1.597 1.286 6.809
207 1HG GLU 26 2HG GLU 26 -2.385 -0.105 8.749
208 2HG GLU 26 1HG GLU 26 -0.975 -0.769 7.928
209 H LYS 27 H LYS 27 -0.097 4.161 7.362
210 HA LYS 27 HA LYS 27 -0.250 4.481 4.609
211 1HB LYS 27 2HB LYS 27 -0.749 6.171 6.487
212 2HB LYS 27 1HB LYS 27 0.968 6.566 6.413
213 1HG LYS 27 2HG LYS 27 0.638 6.899 3.896
214 2HG LYS 27 1HG LYS 27 -1.096 6.832 4.217
215 1HD LYS 27 2HD LYS 27 0.819 8.760 5.571
216 2HD LYS 27 1HD LYS 27 -0.195 9.168 4.186
217 1HE LYS 27 2HE LYS 27 -2.150 8.260 5.681
218 2HE LYS 27 1HE LYS 27 -1.021 8.536 7.009
219 1HZ LYS 27 1HZ LYS 27 -1.664 10.644 6.945
220 2HZ LYS 27 2HZ LYS 27 -2.523 10.423 5.496
221 3HZ LYS 27 3HZ LYS 27 -0.864 10.790 5.457
222 H ALA 28 H ALA 28 2.601 4.730 6.720
223 HA ALA 28 HA ALA 28 4.466 5.455 4.735
224 1HB ALA 28 1HB ALA 28 6.159 4.510 6.338
225 2HB ALA 28 2HB ALA 28 4.816 3.962 7.341
226 3HB ALA 28 3HB ALA 28 5.057 5.686 7.055
227 H GLU 29 H GLU 29 3.398 2.290 5.917
228 HA GLU 29 HA GLU 29 5.202 0.659 4.545
229 1HB GLU 29 2HB GLU 29 3.572 -0.108 6.283
230 2HB GLU 29 1HB GLU 29 2.285 0.049 5.090
231 1HG GLU 29 2HG GLU 29 3.086 -2.278 5.205
232 2HG GLU 29 1HG GLU 29 3.434 -1.575 3.627
233 H GLN 30 H GLN 30 1.879 1.503 3.542
234 HA GLN 30 HA GLN 30 1.896 0.395 1.007
235 1HB GLN 30 2HB GLN 30 0.576 3.038 1.633
236 2HB GLN 30 1HB GLN 30 0.046 1.798 0.497
237 1HG GLN 30 2HG GLN 30 0.077 0.309 2.737
238 2HG GLN 30 1HG GLN 30 -0.213 1.886 3.467
239 1HE2 GLN 30 1HE2 GLN 30 -1.406 0.176 0.510
240 2HE2 GLN 30 2HE2 GLN 30 -3.040 0.537 0.794
241 H GLN 31 H GLN 31 3.070 3.573 2.037
242 HA GLN 31 HA GLN 31 3.628 4.681 -0.468
243 1HB GLN 31 2HB GLN 31 3.726 5.798 1.835
244 2HB GLN 31 1HB GLN 31 5.346 5.115 1.972
245 1HG GLN 31 2HG GLN 31 6.029 6.255 -0.091
246 2HG GLN 31 1HG GLN 31 4.402 6.902 -0.291
247 1HE2 GLN 31 1HE2 GLN 31 5.573 6.721 2.991
248 2HE2 GLN 31 2HE2 GLN 31 5.912 8.374 3.169
249 H LYS 32 H LYS 32 5.550 2.516 1.563
250 HA LYS 32 HA LYS 32 7.965 2.616 0.130
251 1HB LYS 32 2HB LYS 32 7.535 1.527 2.393
252 2HB LYS 32 1HB LYS 32 6.871 0.156 1.506
253 1HG LYS 32 2HG LYS 32 8.964 -0.240 0.387
254 2HG LYS 32 1HG LYS 32 9.640 1.274 0.991
255 1HD LYS 32 2HD LYS 32 9.392 0.396 3.322
256 2HD LYS 32 1HD LYS 32 8.873 -1.148 2.646
257 1HE LYS 32 2HE LYS 32 10.982 -1.604 1.729
258 2HE LYS 32 1HE LYS 32 11.464 0.093 1.748
259 1HZ LYS 32 1HZ LYS 32 12.420 -1.466 3.518
260 2HZ LYS 32 2HZ LYS 32 10.897 -1.346 4.261
261 3HZ LYS 32 3HZ LYS 32 11.840 0.048 4.016
262 H LEU 33 H LEU 33 5.478 0.060 -0.019
263 HA LEU 33 HA LEU 33 6.477 -1.255 -2.273
264 1HB LEU 33 2HB LEU 33 3.515 -1.083 -1.784
265 2HB LEU 33 1HB LEU 33 4.478 -2.457 -2.317
266 HG LEU 33 HG LEU 33 4.410 -1.261 0.469
267 1HD1 LEU 33 1HD1 LEU 33 3.619 -3.526 1.076
268 2HD1 LEU 33 2HD1 LEU 33 3.664 -3.991 -0.625
269 3HD1 LEU 33 3HD1 LEU 33 2.534 -2.751 -0.078
270 1HD2 LEU 33 1HD2 LEU 33 6.666 -1.880 0.244
271 2HD2 LEU 33 2HD2 LEU 33 6.291 -3.214 -0.848
272 3HD2 LEU 33 3HD2 LEU 33 5.937 -3.357 0.874
273 H ARG 34 H ARG 34 4.245 1.475 -2.001
274 HA ARG 34 HA ARG 34 3.525 1.664 -4.728
275 1HB ARG 34 2HB ARG 34 2.319 2.867 -2.952
276 2HB ARG 34 1HB ARG 34 3.745 3.858 -2.646
277 1HG ARG 34 2HG ARG 34 3.637 4.784 -4.904
278 2HG ARG 34 1HG ARG 34 2.287 3.721 -5.304
279 1HD ARG 34 2HD ARG 34 2.217 5.781 -3.083
280 2HD ARG 34 1HD ARG 34 1.600 6.065 -4.705
281 HE ARG 34 HE ARG 34 -0.126 4.462 -4.289
282 1HH1 ARG 34 1HH2 ARG 34 1.958 5.052 -1.571
283 2HH1 ARG 34 2HH2 ARG 34 0.854 4.385 -0.416
284 1HH2 ARG 34 1HH1 ARG 34 -1.557 3.590 -2.770
285 2HH2 ARG 34 2HH1 ARG 34 -1.129 3.563 -1.092
286 H GLN 35 H GLN 35 6.207 3.041 -2.866
287 HA GLN 35 HA GLN 35 7.281 4.676 -4.888
288 1HB GLN 35 2HB GLN 35 7.930 4.437 -2.357
289 2HB GLN 35 1HB GLN 35 9.052 3.215 -2.950
290 1HG GLN 35 2HG GLN 35 10.253 5.291 -2.938
291 2HG GLN 35 1HG GLN 35 9.877 4.941 -4.623
292 1HE2 GLN 35 1HE2 GLN 35 9.188 6.798 -5.686
293 2HE2 GLN 35 2HE2 GLN 35 8.245 8.026 -4.991
294 H GLU 36 H GLU 36 7.430 1.243 -4.294
295 HA GLU 36 HA GLU 36 9.602 0.597 -5.993
296 1HB GLU 36 2HB GLU 36 8.214 -0.843 -4.244
297 2HB GLU 36 1HB GLU 36 7.288 -1.277 -5.680
298 1HG GLU 36 2HG GLU 36 10.291 -1.565 -5.353
299 2HG GLU 36 1HG GLU 36 9.119 -2.881 -5.309
300 H TYR 37 H TYR 37 6.098 0.121 -6.603
301 HA TYR 37 HA TYR 37 6.320 -0.361 -9.347
302 1HB TYR 37 2HB TYR 37 3.941 1.203 -8.557
303 2HB TYR 37 1HB TYR 37 4.051 -0.318 -9.418
304 HD1 TYR 37 HD1 TYR 37 2.733 1.063 -6.646
305 HD2 TYR 37 HD2 TYR 37 5.280 -2.217 -7.728
306 HE1 TYR 37 HE1 TYR 37 2.049 -0.148 -4.587
307 HE2 TYR 37 HE2 TYR 37 4.610 -3.426 -5.667
308 HH TYR 37 HH TYR 37 3.411 -3.346 -3.799
309 H LEU 38 H LEU 38 5.377 2.694 -7.773
310 HA LEU 38 HA LEU 38 5.304 4.291 -10.029
311 1HB LEU 38 2HB LEU 38 5.784 4.834 -7.121
312 2HB LEU 38 1HB LEU 38 6.034 6.140 -8.274
313 HG LEU 38 HG LEU 38 3.692 5.977 -7.272
314 1HD1 LEU 38 1HD1 LEU 38 3.590 5.652 -10.262
315 2HD1 LEU 38 2HD1 LEU 38 4.428 7.030 -9.550
316 3HD1 LEU 38 3HD1 LEU 38 2.710 6.785 -9.235
317 1HD2 LEU 38 1HD2 LEU 38 3.627 3.446 -7.463
318 2HD2 LEU 38 2HD2 LEU 38 3.422 3.653 -9.201
319 3HD2 LEU 38 3HD2 LEU 38 2.201 4.273 -8.091
320 H LYS 39 H LYS 39 8.137 3.277 -8.154
321 HA LYS 39 HA LYS 39 9.988 5.136 -9.186
322 1HB LYS 39 2HB LYS 39 10.717 3.741 -7.384
323 2HB LYS 39 1HB LYS 39 10.331 2.270 -8.274
324 1HG LYS 39 2HG LYS 39 12.192 2.455 -9.658
325 2HG LYS 39 1HG LYS 39 12.292 4.205 -9.460
326 1HD LYS 39 2HD LYS 39 13.269 4.029 -7.318
327 2HD LYS 39 1HD LYS 39 12.771 2.348 -7.131
328 1HE LYS 39 2HE LYS 39 14.644 3.140 -9.354
329 2HE LYS 39 1HE LYS 39 15.261 2.845 -7.728
330 1HZ LYS 39 1HZ LYS 39 14.737 0.653 -7.820
331 2HZ LYS 39 2HZ LYS 39 15.027 0.917 -9.473
332 3HZ LYS 39 3HZ LYS 39 13.433 0.875 -8.881
333 H GLY 40 H GLY 40 8.816 2.025 -10.363
334 1HA GLY 40 2HA GLY 40 10.270 2.331 -12.897
335 2HA GLY 40 1HA GLY 40 9.328 0.925 -12.393
336 H PHE 41 H PHE 41 7.390 3.252 -11.474
337 HA PHE 41 HA PHE 41 5.712 4.579 -12.388
338 1HB PHE 41 2HB PHE 41 7.271 4.522 -14.549
339 2HB PHE 41 1HB PHE 41 6.010 3.433 -15.110
340 HD1 PHE 41 HD1 PHE 41 6.269 6.688 -13.251
341 HD2 PHE 41 HD2 PHE 41 4.232 4.396 -16.262
342 HE1 PHE 41 HE1 PHE 41 4.808 8.630 -13.746
343 HE2 PHE 41 HE2 PHE 41 2.773 6.338 -16.754
344 HZ PHE 41 HZ PHE 41 3.061 8.456 -15.497
345 H ARG 42 H ARG 42 3.854 3.737 -14.352
346 HA ARG 42 HA ARG 42 2.013 2.398 -14.608
347 1HB ARG 42 2HB ARG 42 3.821 0.218 -13.531
348 2HB ARG 42 1HB ARG 42 2.309 -0.019 -14.405
349 1HG ARG 42 2HG ARG 42 3.308 1.224 -16.346
350 2HG ARG 42 1HG ARG 42 4.843 1.255 -15.478
351 1HD ARG 42 2HD ARG 42 4.823 -1.220 -15.380
352 2HD ARG 42 1HD ARG 42 3.314 -1.237 -16.287
353 HE ARG 42 HE ARG 42 5.954 -0.823 -17.359
354 1HH1 ARG 42 1HH2 ARG 42 2.583 -0.095 -17.725
355 2HH1 ARG 42 2HH2 ARG 42 2.686 0.152 -19.436
356 1HH2 ARG 42 1HH1 ARG 42 6.085 -0.498 -19.598
357 2HH2 ARG 42 2HH1 ARG 42 4.664 -0.076 -20.493
Start of MODEL 12
1 1H MET 1 1HT MET 1 4.646 -10.589 -13.136
2 2H MET 1 2HT MET 1 5.341 -9.208 -13.841
3 3H MET 1 3HT MET 1 4.142 -9.045 -12.649
4 HA MET 1 HA MET 1 6.189 -10.611 -11.570
5 1HB MET 1 2HB MET 1 7.058 -8.232 -13.189
6 2HB MET 1 1HB MET 1 7.904 -8.610 -11.689
7 1HG MET 1 2HG MET 1 8.888 -9.669 -13.782
8 2HG MET 1 1HG MET 1 8.513 -10.793 -12.477
9 1HE MET 1 1HE MET 1 6.613 -10.379 -16.592
10 2HE MET 1 2HE MET 1 8.303 -10.181 -16.134
11 3HE MET 1 3HE MET 1 7.107 -9.006 -15.591
12 H ILE 2 H ILE 2 4.401 -7.641 -11.949
13 HA ILE 2 HA ILE 2 4.443 -7.266 -9.014
14 HB ILE 2 HB ILE 2 4.635 -5.187 -11.196
15 1HG1 ILE 2 2HG1 ILE 2 6.643 -6.424 -10.000
16 2HG1 ILE 2 1HG1 ILE 2 6.714 -4.689 -10.290
17 1HG2 ILE 2 1HG2 ILE 2 3.770 -4.906 -8.314
18 2HG2 ILE 2 2HG2 ILE 2 2.983 -4.272 -9.760
19 3HG2 ILE 2 3HG2 ILE 2 4.498 -3.563 -9.198
20 1HD1 ILE 2 1HD1 ILE 2 7.325 -5.536 -7.922
21 2HD1 ILE 2 2HD1 ILE 2 5.593 -5.792 -7.713
22 3HD1 ILE 2 3HD1 ILE 2 6.214 -4.174 -8.039
23 H SER 3 H SER 3 2.683 -7.154 -12.032
24 HA SER 3 HA SER 3 0.210 -6.336 -10.712
25 1HB SER 3 2HB SER 3 -0.747 -6.329 -12.951
26 2HB SER 3 1HB SER 3 0.784 -5.460 -12.965
27 HG SER 3 HG SER 3 0.157 -8.032 -13.941
28 H ASN 4 H ASN 4 -0.277 -8.038 -9.351
29 HA ASN 4 HA ASN 4 -1.747 -10.198 -10.457
30 1HB ASN 4 2HB ASN 4 -0.279 -12.055 -9.668
31 2HB ASN 4 1HB ASN 4 0.429 -11.136 -10.993
32 1HD2 ASN 4 1HD2 ASN 4 1.663 -9.000 -9.899
33 2HD2 ASN 4 2HD2 ASN 4 2.756 -9.442 -8.683
34 H ALA 5 H ALA 5 -0.214 -11.512 -7.841
35 HA ALA 5 HA ALA 5 -2.432 -11.131 -6.090
36 1HB ALA 5 1HB ALA 5 -0.848 -12.257 -4.423
37 2HB ALA 5 2HB ALA 5 0.308 -12.350 -5.751
38 3HB ALA 5 3HB ALA 5 -1.247 -13.174 -5.876
39 H LYS 6 H LYS 6 0.471 -9.374 -6.692
40 HA LYS 6 HA LYS 6 0.797 -8.131 -4.154
41 1HB LYS 6 2HB LYS 6 1.728 -7.542 -6.946
42 2HB LYS 6 1HB LYS 6 1.919 -6.311 -5.698
43 1HG LYS 6 2HG LYS 6 2.778 -9.125 -5.104
44 2HG LYS 6 1HG LYS 6 3.821 -8.105 -6.096
45 1HD LYS 6 2HD LYS 6 3.770 -6.365 -4.311
46 2HD LYS 6 1HD LYS 6 2.806 -7.452 -3.312
47 1HE LYS 6 2HE LYS 6 5.010 -7.828 -2.561
48 2HE LYS 6 1HE LYS 6 4.724 -9.158 -3.681
49 1HZ LYS 6 1HZ LYS 6 5.647 -7.229 -5.310
50 2HZ LYS 6 2HZ LYS 6 6.606 -8.454 -4.627
51 3HZ LYS 6 3HZ LYS 6 6.535 -6.921 -3.897
52 H ILE 7 H ILE 7 -1.077 -7.350 -7.046
53 HA ILE 7 HA ILE 7 -1.937 -4.767 -6.363
54 HB ILE 7 HB ILE 7 -3.310 -6.967 -7.928
55 1HG1 ILE 7 2HG1 ILE 7 -2.230 -4.431 -9.101
56 2HG1 ILE 7 1HG1 ILE 7 -1.074 -5.674 -8.619
57 1HG2 ILE 7 1HG2 ILE 7 -4.113 -4.108 -7.378
58 2HG2 ILE 7 2HG2 ILE 7 -5.100 -5.566 -7.268
59 3HG2 ILE 7 3HG2 ILE 7 -4.631 -4.936 -8.847
60 1HD1 ILE 7 1HD1 ILE 7 -2.140 -7.312 -10.041
61 2HD1 ILE 7 2HD1 ILE 7 -1.843 -5.868 -11.009
62 3HD1 ILE 7 3HD1 ILE 7 -3.464 -6.205 -10.404
63 H ALA 8 H ALA 8 -3.366 -7.945 -5.644
64 HA ALA 8 HA ALA 8 -5.642 -7.077 -4.267
65 1HB ALA 8 1HB ALA 8 -4.028 -9.579 -4.332
66 2HB ALA 8 2HB ALA 8 -5.747 -9.337 -4.643
67 3HB ALA 8 3HB ALA 8 -5.147 -9.374 -2.984
68 H ARG 9 H ARG 9 -2.346 -7.709 -3.101
69 HA ARG 9 HA ARG 9 -2.833 -7.324 -0.355
70 1HB ARG 9 2HB ARG 9 -0.736 -8.283 -1.216
71 2HB ARG 9 1HB ARG 9 -0.320 -6.733 -1.943
72 1HG ARG 9 2HG ARG 9 0.842 -6.969 0.194
73 2HG ARG 9 1HG ARG 9 -0.362 -5.688 0.321
74 1HD ARG 9 2HD ARG 9 -1.787 -6.977 1.648
75 2HD ARG 9 1HD ARG 9 -1.113 -8.499 1.069
76 HE ARG 9 HE ARG 9 0.845 -6.985 2.500
77 1HH1 ARG 9 1HH2 ARG 9 -1.977 -8.966 2.871
78 2HH1 ARG 9 2HH2 ARG 9 -1.532 -9.536 4.445
79 1HH2 ARG 9 1HH1 ARG 9 1.429 -7.738 4.556
80 2HH2 ARG 9 2HH1 ARG 9 0.400 -8.853 5.392
81 H ILE 10 H ILE 10 -1.322 -5.018 -2.620
82 HA ILE 10 HA ILE 10 -1.379 -2.757 -1.023
83 HB ILE 10 HB ILE 10 -1.820 -2.866 -4.018
84 1HG1 ILE 10 2HG1 ILE 10 0.231 -4.086 -2.945
85 2HG1 ILE 10 1HG1 ILE 10 0.508 -2.992 -4.298
86 1HG2 ILE 10 1HG2 ILE 10 -0.588 -0.616 -3.826
87 2HG2 ILE 10 2HG2 ILE 10 -0.963 -0.690 -2.104
88 3HG2 ILE 10 3HG2 ILE 10 -2.267 -0.654 -3.291
89 1HD1 ILE 10 1HD1 ILE 10 1.428 -1.337 -2.943
90 2HD1 ILE 10 2HD1 ILE 10 1.990 -2.799 -2.135
91 3HD1 ILE 10 3HD1 ILE 10 0.604 -1.918 -1.495
92 H ASN 11 H ASN 11 -3.833 -3.799 -3.381
93 HA ASN 11 HA ASN 11 -5.672 -1.727 -2.952
94 1HB ASN 11 2HB ASN 11 -5.912 -3.097 -4.890
95 2HB ASN 11 1HB ASN 11 -6.014 -4.565 -3.923
96 1HD2 ASN 11 1HD2 ASN 11 -8.137 -5.228 -4.492
97 2HD2 ASN 11 2HD2 ASN 11 -9.519 -4.295 -4.184
98 H GLU 12 H GLU 12 -5.824 -5.065 -1.667
99 HA GLU 12 HA GLU 12 -8.024 -4.664 0.012
100 1HB GLU 12 2HB GLU 12 -6.984 -6.882 -0.630
101 2HB GLU 12 1HB GLU 12 -5.749 -6.569 0.589
102 1HG GLU 12 2HG GLU 12 -7.253 -7.720 1.902
103 2HG GLU 12 1HG GLU 12 -7.908 -6.099 2.106
104 H LEU 13 H LEU 13 -4.551 -4.564 0.857
105 HA LEU 13 HA LEU 13 -4.872 -3.907 3.560
106 1HB LEU 13 2HB LEU 13 -2.730 -4.493 2.098
107 2HB LEU 13 1HB LEU 13 -2.578 -2.738 2.043
108 HG LEU 13 HG LEU 13 -2.926 -4.313 4.611
109 1HD1 LEU 13 1HD1 LEU 13 -0.473 -3.767 4.922
110 2HD1 LEU 13 2HD1 LEU 13 -0.431 -3.292 3.224
111 3HD1 LEU 13 3HD1 LEU 13 -0.804 -4.959 3.665
112 1HD2 LEU 13 1HD2 LEU 13 -2.562 -1.436 3.873
113 2HD2 LEU 13 2HD2 LEU 13 -1.778 -2.009 5.343
114 3HD2 LEU 13 3HD2 LEU 13 -3.527 -2.148 5.166
115 H ALA 14 H ALA 14 -4.296 -1.733 0.789
116 HA ALA 14 HA ALA 14 -4.400 0.695 2.157
117 1HB ALA 14 1HB ALA 14 -3.680 0.541 -0.171
118 2HB ALA 14 2HB ALA 14 -5.013 1.687 -0.031
119 3HB ALA 14 3HB ALA 14 -5.305 0.067 -0.663
120 H ALA 15 H ALA 15 -7.066 -0.833 0.332
121 HA ALA 15 HA ALA 15 -9.074 0.948 1.151
122 1HB ALA 15 1HB ALA 15 -10.646 -0.877 0.478
123 2HB ALA 15 2HB ALA 15 -9.254 -1.945 0.287
124 3HB ALA 15 3HB ALA 15 -9.418 -0.519 -0.737
125 H LYS 16 H LYS 16 -7.835 -1.980 2.652
126 HA LYS 16 HA LYS 16 -9.862 -2.342 4.582
127 1HB LYS 16 2HB LYS 16 -8.303 -4.128 4.157
128 2HB LYS 16 1HB LYS 16 -6.932 -3.107 4.589
129 1HG LYS 16 2HG LYS 16 -7.639 -3.007 6.896
130 2HG LYS 16 1HG LYS 16 -9.166 -3.805 6.514
131 1HD LYS 16 2HD LYS 16 -7.721 -5.480 7.461
132 2HD LYS 16 1HD LYS 16 -7.809 -5.803 5.730
133 1HE LYS 16 2HE LYS 16 -5.628 -5.167 5.359
134 2HE LYS 16 1HE LYS 16 -5.642 -3.974 6.658
135 1HZ LYS 16 1HZ LYS 16 -4.305 -5.666 7.469
136 2HZ LYS 16 2HZ LYS 16 -5.292 -6.898 6.842
137 3HZ LYS 16 3HZ LYS 16 -5.807 -5.997 8.186
138 H ALA 17 H ALA 17 -6.569 -1.109 5.148
139 HA ALA 17 HA ALA 17 -7.066 0.012 7.661
140 1HB ALA 17 1HB ALA 17 -5.063 1.015 5.626
141 2HB ALA 17 2HB ALA 17 -4.809 -0.408 6.636
142 3HB ALA 17 3HB ALA 17 -4.975 1.183 7.380
143 H LYS 18 H LYS 18 -7.765 1.174 4.455
144 HA LYS 18 HA LYS 18 -8.154 3.932 5.247
145 1HB LYS 18 2HB LYS 18 -7.510 3.222 2.928
146 2HB LYS 18 1HB LYS 18 -9.123 2.537 2.739
147 1HG LYS 18 2HG LYS 18 -9.189 4.739 1.783
148 2HG LYS 18 1HG LYS 18 -10.044 4.833 3.323
149 1HD LYS 18 2HD LYS 18 -8.331 6.018 4.362
150 2HD LYS 18 1HD LYS 18 -7.096 5.396 3.267
151 1HE LYS 18 2HE LYS 18 -7.608 6.924 1.598
152 2HE LYS 18 1HE LYS 18 -9.277 7.112 2.136
153 1HZ LYS 18 1HZ LYS 18 -8.510 8.328 4.055
154 2HZ LYS 18 2HZ LYS 18 -7.912 9.061 2.643
155 3HZ LYS 18 3HZ LYS 18 -6.891 8.101 3.603
156 H ALA 19 H ALA 19 -10.169 1.084 4.776
157 HA ALA 19 HA ALA 19 -12.668 2.471 5.042
158 1HB ALA 19 1HB ALA 19 -11.927 -0.454 5.190
159 2HB ALA 19 2HB ALA 19 -12.644 0.402 3.826
160 3HB ALA 19 3HB ALA 19 -13.584 0.139 5.295
161 H GLY 20 H GLY 20 -10.353 1.153 7.272
162 1HA GLY 20 2HA GLY 20 -12.306 1.248 9.478
163 2HA GLY 20 1HA GLY 20 -10.718 0.495 9.546
164 H VAL 21 H VAL 21 -8.831 1.955 9.459
165 HA VAL 21 HA VAL 21 -9.135 4.758 9.994
166 HB VAL 21 HB VAL 21 -7.960 4.480 12.308
167 1HG1 VAL 21 1HG1 VAL 21 -10.424 5.200 11.679
168 2HG1 VAL 21 2HG1 VAL 21 -9.996 4.860 13.355
169 3HG1 VAL 21 3HG1 VAL 21 -10.838 3.643 12.399
170 1HG2 VAL 21 1HG2 VAL 21 -7.652 2.028 12.113
171 2HG2 VAL 21 2HG2 VAL 21 -9.402 1.818 12.067
172 3HG2 VAL 21 3HG2 VAL 21 -8.627 2.445 13.522
173 H ILE 22 H ILE 22 -7.636 4.836 8.265
174 HA ILE 22 HA ILE 22 -5.130 3.475 8.349
175 HB ILE 22 HB ILE 22 -6.221 4.329 6.257
176 1HG1 ILE 22 2HG1 ILE 22 -3.528 5.644 6.496
177 2HG1 ILE 22 1HG1 ILE 22 -3.651 3.895 6.688
178 1HG2 ILE 22 1HG2 ILE 22 -5.125 7.033 7.032
179 2HG2 ILE 22 2HG2 ILE 22 -6.791 6.578 7.396
180 3HG2 ILE 22 3HG2 ILE 22 -6.237 6.631 5.723
181 1HD1 ILE 22 1HD1 ILE 22 -4.734 5.435 4.311
182 2HD1 ILE 22 2HD1 ILE 22 -4.695 3.682 4.498
183 3HD1 ILE 22 3HD1 ILE 22 -3.189 4.584 4.329
184 H THR 23 H THR 23 -3.016 4.667 8.376
185 HA THR 23 HA THR 23 -2.831 7.169 9.767
186 HB THR 23 HB THR 23 -3.313 6.058 11.774
187 HG1 THR 23 HG1 THR 23 -0.744 5.409 12.164
188 1HG2 THR 23 1HG2 THR 23 -3.483 3.796 11.353
189 2HG2 THR 23 2HG2 THR 23 -1.932 3.812 12.195
190 3HG2 THR 23 3HG2 THR 23 -1.979 3.744 10.433
191 H GLU 24 H GLU 24 -0.550 7.715 10.274
192 HA GLU 24 HA GLU 24 1.137 7.426 8.111
193 1HB GLU 24 2HB GLU 24 1.988 7.844 10.989
194 2HB GLU 24 1HB GLU 24 2.921 8.266 9.553
195 1HG GLU 24 2HG GLU 24 0.255 9.450 10.390
196 2HG GLU 24 1HG GLU 24 1.817 10.267 10.399
197 H GLU 25 H GLU 25 0.734 5.306 10.873
198 HA GLU 25 HA GLU 25 3.072 3.772 10.674
199 1HB GLU 25 2HB GLU 25 1.322 3.690 12.510
200 2HB GLU 25 1HB GLU 25 0.343 2.703 11.424
201 1HG GLU 25 2HG GLU 25 2.670 1.359 11.230
202 2HG GLU 25 1HG GLU 25 2.867 2.021 12.851
203 H GLU 26 H GLU 26 -0.164 2.931 9.414
204 HA GLU 26 HA GLU 26 0.711 0.773 7.817
205 1HB GLU 26 2HB GLU 26 -1.737 2.537 7.523
206 2HB GLU 26 1HB GLU 26 -1.491 1.006 6.686
207 1HG GLU 26 2HG GLU 26 -1.430 1.271 9.706
208 2HG GLU 26 1HG GLU 26 -2.887 0.860 8.805
209 H LYS 27 H LYS 27 0.089 4.183 7.072
210 HA LYS 27 HA LYS 27 0.551 4.151 4.321
211 1HB LYS 27 2HB LYS 27 -0.242 6.075 5.883
212 2HB LYS 27 1HB LYS 27 1.477 6.428 6.054
213 1HG LYS 27 2HG LYS 27 0.989 7.736 4.205
214 2HG LYS 27 1HG LYS 27 1.437 6.232 3.404
215 1HD LYS 27 2HD LYS 27 -0.586 6.601 2.361
216 2HD LYS 27 1HD LYS 27 -1.162 5.702 3.763
217 1HE LYS 27 2HE LYS 27 -1.255 8.676 3.267
218 2HE LYS 27 1HE LYS 27 -2.570 7.593 3.713
219 1HZ LYS 27 1HZ LYS 27 -1.679 7.359 5.889
220 2HZ LYS 27 2HZ LYS 27 -1.750 9.022 5.548
221 3HZ LYS 27 3HZ LYS 27 -0.265 8.200 5.477
222 H ALA 28 H ALA 28 2.835 4.370 7.016
223 HA ALA 28 HA ALA 28 5.158 4.954 5.544
224 1HB ALA 28 1HB ALA 28 4.916 3.340 8.095
225 2HB ALA 28 2HB ALA 28 5.032 5.098 8.004
226 3HB ALA 28 3HB ALA 28 6.386 4.096 7.482
227 H GLU 29 H GLU 29 3.781 1.820 6.539
228 HA GLU 29 HA GLU 29 5.778 0.170 5.461
229 1HB GLU 29 2HB GLU 29 3.944 -0.608 6.959
230 2HB GLU 29 1HB GLU 29 2.813 -0.433 5.617
231 1HG GLU 29 2HG GLU 29 5.309 -2.081 5.271
232 2HG GLU 29 1HG GLU 29 3.907 -2.775 6.077
233 H GLN 30 H GLN 30 2.576 0.784 4.009
234 HA GLN 30 HA GLN 30 3.059 -0.278 1.504
235 1HB GLN 30 2HB GLN 30 1.370 2.186 1.895
236 2HB GLN 30 1HB GLN 30 1.136 0.865 0.751
237 1HG GLN 30 2HG GLN 30 1.128 -0.466 3.161
238 2HG GLN 30 1HG GLN 30 0.353 1.057 3.585
239 1HE2 GLN 30 1HE2 GLN 30 -1.820 1.309 2.981
240 2HE2 GLN 30 2HE2 GLN 30 -2.655 0.239 1.961
241 H GLN 31 H GLN 31 4.314 2.650 2.827
242 HA GLN 31 HA GLN 31 4.706 4.249 0.593
243 1HB GLN 31 2HB GLN 31 5.286 4.751 3.030
244 2HB GLN 31 1HB GLN 31 6.794 3.883 2.739
245 1HG GLN 31 2HG GLN 31 6.996 5.451 0.656
246 2HG GLN 31 1HG GLN 31 5.830 6.455 1.514
247 1HE2 GLN 31 1HE2 GLN 31 7.131 5.335 4.145
248 2HE2 GLN 31 2HE2 GLN 31 8.515 6.303 4.319
249 H LYS 32 H LYS 32 6.691 1.544 1.760
250 HA LYS 32 HA LYS 32 8.798 1.789 -0.082
251 1HB LYS 32 2HB LYS 32 8.652 0.298 1.999
252 2HB LYS 32 1HB LYS 32 7.783 -0.848 0.976
253 1HG LYS 32 2HG LYS 32 9.695 -0.799 -0.633
254 2HG LYS 32 1HG LYS 32 10.571 0.245 0.486
255 1HD LYS 32 2HD LYS 32 9.456 -2.369 1.466
256 2HD LYS 32 1HD LYS 32 10.963 -2.355 0.551
257 1HE LYS 32 2HE LYS 32 10.465 -0.652 3.010
258 2HE LYS 32 1HE LYS 32 11.296 -2.207 3.037
259 1HZ LYS 32 1HZ LYS 32 12.201 0.365 2.020
260 2HZ LYS 32 2HZ LYS 32 12.632 -0.995 1.098
261 3HZ LYS 32 3HZ LYS 32 13.086 -0.895 2.732
262 H LEU 33 H LEU 33 6.142 -0.600 -0.212
263 HA LEU 33 HA LEU 33 6.597 -1.459 -2.828
264 1HB LEU 33 2HB LEU 33 4.053 -1.361 -1.193
265 2HB LEU 33 1HB LEU 33 4.166 -2.157 -2.763
266 HG LEU 33 HG LEU 33 6.215 -2.828 -0.683
267 1HD1 LEU 33 1HD1 LEU 33 4.018 -2.940 0.494
268 2HD1 LEU 33 2HD1 LEU 33 4.755 -4.530 0.293
269 3HD1 LEU 33 3HD1 LEU 33 3.430 -4.033 -0.759
270 1HD2 LEU 33 1HD2 LEU 33 6.103 -5.009 -1.819
271 2HD2 LEU 33 2HD2 LEU 33 6.345 -3.719 -2.995
272 3HD2 LEU 33 3HD2 LEU 33 4.749 -4.443 -2.799
273 H ARG 34 H ARG 34 4.586 1.200 -1.626
274 HA ARG 34 HA ARG 34 3.399 1.899 -4.097
275 1HB ARG 34 2HB ARG 34 2.653 2.648 -1.804
276 2HB ARG 34 1HB ARG 34 4.006 3.778 -1.808
277 1HG ARG 34 2HG ARG 34 3.094 4.640 -4.040
278 2HG ARG 34 1HG ARG 34 1.633 3.718 -3.682
279 1HD ARG 34 2HD ARG 34 1.246 4.966 -1.662
280 2HD ARG 34 1HD ARG 34 2.824 5.741 -1.772
281 HE ARG 34 HE ARG 34 1.075 6.229 -4.040
282 1HH1 ARG 34 1HH2 ARG 34 2.140 7.232 -0.893
283 2HH1 ARG 34 2HH2 ARG 34 1.665 8.883 -1.110
284 1HH2 ARG 34 1HH1 ARG 34 0.450 8.392 -4.322
285 2HH2 ARG 34 2HH1 ARG 34 0.708 9.538 -3.048
286 H GLN 35 H GLN 35 6.399 2.927 -2.518
287 HA GLN 35 HA GLN 35 7.083 5.033 -4.247
288 1HB GLN 35 2HB GLN 35 8.615 3.202 -2.438
289 2HB GLN 35 1HB GLN 35 9.505 4.221 -3.564
290 1HG GLN 35 2HG GLN 35 7.334 5.479 -1.930
291 2HG GLN 35 1HG GLN 35 8.866 5.104 -1.141
292 1HE2 GLN 35 1HE2 GLN 35 7.273 7.416 -3.107
293 2HE2 GLN 35 2HE2 GLN 35 8.645 8.308 -3.560
294 H GLU 36 H GLU 36 8.108 1.620 -4.320
295 HA GLU 36 HA GLU 36 9.489 1.793 -6.789
296 1HB GLU 36 2HB GLU 36 9.538 -0.040 -4.919
297 2HB GLU 36 1HB GLU 36 8.212 -0.749 -5.839
298 1HG GLU 36 2HG GLU 36 9.629 -0.715 -7.878
299 2HG GLU 36 1HG GLU 36 10.958 -0.054 -6.926
300 H TYR 37 H TYR 37 6.162 0.900 -5.942
301 HA TYR 37 HA TYR 37 5.301 -0.052 -8.413
302 1HB TYR 37 2HB TYR 37 3.981 -0.082 -6.267
303 2HB TYR 37 1HB TYR 37 3.622 1.624 -6.535
304 HD1 TYR 37 HD1 TYR 37 3.353 -1.757 -8.101
305 HD2 TYR 37 HD2 TYR 37 1.897 2.284 -8.015
306 HE1 TYR 37 HE1 TYR 37 1.525 -2.383 -9.654
307 HE2 TYR 37 HE2 TYR 37 0.068 1.657 -9.567
308 HH TYR 37 HH TYR 37 -0.559 0.020 -11.103
309 H LEU 38 H LEU 38 5.103 3.297 -7.176
310 HA LEU 38 HA LEU 38 4.047 4.462 -9.501
311 1HB LEU 38 2HB LEU 38 5.351 5.403 -7.034
312 2HB LEU 38 1HB LEU 38 5.576 6.470 -8.419
313 HG LEU 38 HG LEU 38 3.506 6.927 -7.008
314 1HD1 LEU 38 1HD1 LEU 38 2.002 6.871 -9.190
315 2HD1 LEU 38 2HD1 LEU 38 3.525 6.440 -9.964
316 3HD1 LEU 38 3HD1 LEU 38 3.385 7.958 -9.080
317 1HD2 LEU 38 1HD2 LEU 38 3.105 4.287 -6.981
318 2HD2 LEU 38 2HD2 LEU 38 2.190 4.653 -8.444
319 3HD2 LEU 38 3HD2 LEU 38 1.754 5.418 -6.916
320 H LYS 39 H LYS 39 7.312 3.530 -8.683
321 HA LYS 39 HA LYS 39 8.678 5.082 -10.620
322 1HB LYS 39 2HB LYS 39 9.647 3.776 -8.618
323 2HB LYS 39 1HB LYS 39 9.599 2.370 -9.681
324 1HG LYS 39 2HG LYS 39 11.059 3.415 -11.276
325 2HG LYS 39 1HG LYS 39 10.932 4.973 -10.461
326 1HD LYS 39 2HD LYS 39 13.036 4.043 -9.791
327 2HD LYS 39 1HD LYS 39 11.951 3.851 -8.414
328 1HE LYS 39 2HE LYS 39 11.691 1.543 -8.777
329 2HE LYS 39 1HE LYS 39 12.208 1.652 -10.459
330 1HZ LYS 39 1HZ LYS 39 13.893 1.924 -8.035
331 2HZ LYS 39 2HZ LYS 39 14.435 2.312 -9.597
332 3HZ LYS 39 3HZ LYS 39 13.982 0.718 -9.222
333 H GLY 40 H GLY 40 8.008 1.571 -10.687
334 1HA GLY 40 2HA GLY 40 8.427 1.462 -13.551
335 2HA GLY 40 1HA GLY 40 8.004 0.116 -12.500
336 H PHE 41 H PHE 41 5.837 2.316 -11.613
337 HA PHE 41 HA PHE 41 3.497 2.002 -11.835
338 1HB PHE 41 2HB PHE 41 4.358 4.199 -12.808
339 2HB PHE 41 1HB PHE 41 4.174 3.454 -14.394
340 HD1 PHE 41 HD1 PHE 41 2.211 3.796 -11.198
341 HD2 PHE 41 HD2 PHE 41 2.153 3.813 -15.495
342 HE1 PHE 41 HE1 PHE 41 -0.215 4.314 -11.166
343 HE2 PHE 41 HE2 PHE 41 -0.270 4.331 -15.460
344 HZ PHE 41 HZ PHE 41 -1.455 4.582 -13.297
345 H ARG 42 H ARG 42 3.901 -0.415 -12.298
346 HA ARG 42 HA ARG 42 3.176 -2.290 -13.399
347 1HB ARG 42 2HB ARG 42 1.200 -0.575 -13.880
348 2HB ARG 42 1HB ARG 42 1.814 -0.696 -15.530
349 1HG ARG 42 2HG ARG 42 1.744 -3.253 -15.172
350 2HG ARG 42 1HG ARG 42 0.736 -2.900 -13.769
351 1HD ARG 42 2HD ARG 42 0.165 -2.347 -16.677
352 2HD ARG 42 1HD ARG 42 -0.818 -3.236 -15.516
353 HE ARG 42 HE ARG 42 -0.455 -0.476 -14.773
354 1HH1 ARG 42 1HH2 ARG 42 -2.254 -2.691 -16.740
355 2HH1 ARG 42 2HH2 ARG 42 -3.645 -1.665 -16.859
356 1HH2 ARG 42 1HH1 ARG 42 -2.273 0.866 -14.926
357 2HH2 ARG 42 2HH1 ARG 42 -3.658 0.343 -15.826
Start of MODEL 13
1 1H MET 1 1HT MET 1 -1.665 -6.748 -18.315
2 2H MET 1 2HT MET 1 -1.538 -8.006 -17.182
3 3H MET 1 3HT MET 1 -0.787 -8.146 -18.699
4 HA MET 1 HA MET 1 1.054 -7.433 -17.701
5 1HB MET 1 2HB MET 1 -0.345 -4.782 -17.326
6 2HB MET 1 1HB MET 1 1.337 -5.082 -17.758
7 1HG MET 1 2HG MET 1 -1.122 -5.444 -19.481
8 2HG MET 1 1HG MET 1 0.276 -4.412 -19.785
9 1HE MET 1 1HE MET 1 0.327 -6.798 -22.622
10 2HE MET 1 2HE MET 1 -0.799 -5.721 -21.801
11 3HE MET 1 3HE MET 1 -1.021 -7.464 -21.689
12 H ILE 2 H ILE 2 -1.172 -5.354 -15.852
13 HA ILE 2 HA ILE 2 -0.001 -6.412 -13.369
14 HB ILE 2 HB ILE 2 -1.826 -4.012 -13.591
15 1HG1 ILE 2 2HG1 ILE 2 1.205 -3.990 -13.743
16 2HG1 ILE 2 1HG1 ILE 2 0.162 -3.826 -15.156
17 1HG2 ILE 2 1HG2 ILE 2 -1.016 -3.458 -11.462
18 2HG2 ILE 2 2HG2 ILE 2 0.456 -4.409 -11.666
19 3HG2 ILE 2 3HG2 ILE 2 -1.082 -5.218 -11.369
20 1HD1 ILE 2 1HD1 ILE 2 0.298 -1.969 -12.765
21 2HD1 ILE 2 2HD1 ILE 2 -0.935 -1.859 -14.021
22 3HD1 ILE 2 3HD1 ILE 2 0.761 -1.603 -14.424
23 H SER 3 H SER 3 -2.694 -5.087 -12.271
24 HA SER 3 HA SER 3 -4.683 -5.884 -11.446
25 1HB SER 3 2HB SER 3 -4.965 -7.828 -13.693
26 2HB SER 3 1HB SER 3 -6.160 -6.745 -12.984
27 HG SER 3 HG SER 3 -4.914 -6.344 -15.182
28 H ASN 4 H ASN 4 -1.965 -7.634 -11.561
29 HA ASN 4 HA ASN 4 -2.930 -10.247 -10.848
30 1HB ASN 4 2HB ASN 4 -0.414 -10.428 -10.088
31 2HB ASN 4 1HB ASN 4 -0.823 -10.380 -11.798
32 1HD2 ASN 4 1HD2 ASN 4 -1.050 -7.475 -9.777
33 2HD2 ASN 4 2HD2 ASN 4 0.263 -6.672 -10.493
34 H ALA 5 H ALA 5 -1.362 -10.957 -8.698
35 HA ALA 5 HA ALA 5 -2.939 -10.322 -6.495
36 1HB ALA 5 1HB ALA 5 -0.110 -11.358 -6.688
37 2HB ALA 5 2HB ALA 5 -1.588 -12.276 -6.392
38 3HB ALA 5 3HB ALA 5 -0.960 -11.189 -5.152
39 H LYS 6 H LYS 6 -0.635 -8.355 -8.035
40 HA LYS 6 HA LYS 6 0.379 -6.908 -5.806
41 1HB LYS 6 2HB LYS 6 0.027 -6.039 -8.690
42 2HB LYS 6 1HB LYS 6 0.980 -5.184 -7.479
43 1HG LYS 6 2HG LYS 6 1.478 -8.078 -8.224
44 2HG LYS 6 1HG LYS 6 2.314 -6.727 -8.991
45 1HD LYS 6 2HD LYS 6 2.775 -6.023 -6.469
46 2HD LYS 6 1HD LYS 6 2.533 -7.746 -6.182
47 1HE LYS 6 2HE LYS 6 4.557 -6.475 -8.047
48 2HE LYS 6 1HE LYS 6 4.891 -7.383 -6.573
49 1HZ LYS 6 1HZ LYS 6 5.215 -8.812 -8.438
50 2HZ LYS 6 2HZ LYS 6 3.689 -8.428 -9.078
51 3HZ LYS 6 3HZ LYS 6 3.810 -9.319 -7.636
52 H ILE 7 H ILE 7 -2.181 -6.071 -8.168
53 HA ILE 7 HA ILE 7 -3.067 -3.741 -6.889
54 HB ILE 7 HB ILE 7 -4.619 -5.720 -8.580
55 1HG1 ILE 7 2HG1 ILE 7 -2.726 -4.716 -9.762
56 2HG1 ILE 7 1HG1 ILE 7 -4.225 -4.006 -10.358
57 1HG2 ILE 7 1HG2 ILE 7 -6.253 -4.450 -7.399
58 2HG2 ILE 7 2HG2 ILE 7 -6.086 -3.644 -8.959
59 3HG2 ILE 7 3HG2 ILE 7 -5.305 -2.967 -7.528
60 1HD1 ILE 7 1HD1 ILE 7 -3.792 -2.182 -8.526
61 2HD1 ILE 7 2HD1 ILE 7 -2.875 -2.118 -10.030
62 3HD1 ILE 7 3HD1 ILE 7 -2.133 -2.781 -8.574
63 H ALA 8 H ALA 8 -4.266 -7.081 -6.598
64 HA ALA 8 HA ALA 8 -6.319 -6.641 -4.764
65 1HB ALA 8 1HB ALA 8 -5.606 -8.806 -6.018
66 2HB ALA 8 2HB ALA 8 -6.331 -8.954 -4.417
67 3HB ALA 8 3HB ALA 8 -4.584 -9.091 -4.611
68 H ARG 9 H ARG 9 -2.856 -7.097 -4.227
69 HA ARG 9 HA ARG 9 -2.898 -7.353 -1.426
70 1HB ARG 9 2HB ARG 9 -0.938 -7.815 -2.916
71 2HB ARG 9 1HB ARG 9 -0.725 -6.075 -3.101
72 1HG ARG 9 2HG ARG 9 -0.601 -5.934 -0.568
73 2HG ARG 9 1HG ARG 9 -0.524 -7.696 -0.553
74 1HD ARG 9 2HD ARG 9 1.402 -7.294 -2.332
75 2HD ARG 9 1HD ARG 9 1.488 -5.717 -1.555
76 HE ARG 9 HE ARG 9 2.353 -8.222 -0.441
77 1HH1 ARG 9 1HH2 ARG 9 1.061 -5.083 0.262
78 2HH1 ARG 9 2HH2 ARG 9 1.690 -5.038 1.876
79 1HH2 ARG 9 1HH1 ARG 9 3.177 -8.165 1.671
80 2HH2 ARG 9 2HH1 ARG 9 2.887 -6.782 2.672
81 H ILE 10 H ILE 10 -1.634 -4.476 -3.081
82 HA ILE 10 HA ILE 10 -1.847 -2.712 -0.960
83 HB ILE 10 HB ILE 10 -2.048 -2.143 -3.927
84 1HG1 ILE 10 2HG1 ILE 10 0.353 -1.787 -2.130
85 2HG1 ILE 10 1HG1 ILE 10 0.008 -3.349 -2.868
86 1HG2 ILE 10 1HG2 ILE 10 -2.866 -0.210 -2.724
87 2HG2 ILE 10 2HG2 ILE 10 -1.206 0.134 -3.211
88 3HG2 ILE 10 3HG2 ILE 10 -1.556 -0.329 -1.546
89 1HD1 ILE 10 1HD1 ILE 10 1.572 -1.881 -4.208
90 2HD1 ILE 10 2HD1 ILE 10 0.219 -0.777 -4.451
91 3HD1 ILE 10 3HD1 ILE 10 0.140 -2.420 -5.085
92 H ASN 11 H ASN 11 -4.294 -3.579 -3.360
93 HA ASN 11 HA ASN 11 -6.190 -1.587 -2.810
94 1HB ASN 11 2HB ASN 11 -6.518 -2.975 -4.724
95 2HB ASN 11 1HB ASN 11 -6.483 -4.444 -3.751
96 1HD2 ASN 11 1HD2 ASN 11 -8.527 -5.290 -3.437
97 2HD2 ASN 11 2HD2 ASN 11 -9.953 -4.382 -3.328
98 H GLU 12 H GLU 12 -6.280 -4.956 -1.629
99 HA GLU 12 HA GLU 12 -8.261 -4.522 0.311
100 1HB GLU 12 2HB GLU 12 -6.256 -6.647 -0.246
101 2HB GLU 12 1HB GLU 12 -6.980 -6.626 1.362
102 1HG GLU 12 2HG GLU 12 -9.195 -6.810 0.476
103 2HG GLU 12 1HG GLU 12 -8.641 -6.472 -1.162
104 H LEU 13 H LEU 13 -4.783 -4.038 0.413
105 HA LEU 13 HA LEU 13 -4.430 -3.921 3.204
106 1HB LEU 13 2HB LEU 13 -2.691 -3.824 1.219
107 2HB LEU 13 1HB LEU 13 -2.890 -2.082 1.403
108 HG LEU 13 HG LEU 13 -2.189 -3.978 3.668
109 1HD1 LEU 13 1HD1 LEU 13 0.068 -3.260 3.465
110 2HD1 LEU 13 2HD1 LEU 13 -0.362 -1.960 2.354
111 3HD1 LEU 13 3HD1 LEU 13 -0.437 -3.639 1.818
112 1HD2 LEU 13 1HD2 LEU 13 -3.146 -2.128 4.715
113 2HD2 LEU 13 2HD2 LEU 13 -2.656 -1.021 3.432
114 3HD2 LEU 13 3HD2 LEU 13 -1.468 -1.602 4.596
115 H ALA 14 H ALA 14 -4.749 -1.180 0.931
116 HA ALA 14 HA ALA 14 -5.016 0.846 2.811
117 1HB ALA 14 1HB ALA 14 -4.701 1.302 0.433
118 2HB ALA 14 2HB ALA 14 -6.148 2.126 1.015
119 3HB ALA 14 3HB ALA 14 -6.296 0.640 0.074
120 H ALA 15 H ALA 15 -7.581 -1.047 1.234
121 HA ALA 15 HA ALA 15 -9.769 0.179 2.507
122 1HB ALA 15 1HB ALA 15 -11.064 -1.684 1.731
123 2HB ALA 15 2HB ALA 15 -9.630 -2.703 1.602
124 3HB ALA 15 3HB ALA 15 -9.850 -1.343 0.498
125 H LYS 16 H LYS 16 -7.843 -2.648 3.433
126 HA LYS 16 HA LYS 16 -9.388 -3.419 5.668
127 1HB LYS 16 2HB LYS 16 -7.562 -4.770 4.510
128 2HB LYS 16 1HB LYS 16 -6.400 -3.796 5.409
129 1HG LYS 16 2HG LYS 16 -6.644 -5.416 6.996
130 2HG LYS 16 1HG LYS 16 -8.109 -4.526 7.411
131 1HD LYS 16 2HD LYS 16 -8.992 -6.654 7.125
132 2HD LYS 16 1HD LYS 16 -9.166 -6.022 5.488
133 1HE LYS 16 2HE LYS 16 -7.015 -7.067 4.857
134 2HE LYS 16 1HE LYS 16 -6.851 -7.707 6.492
135 1HZ LYS 16 1HZ LYS 16 -8.257 -9.352 6.047
136 2HZ LYS 16 2HZ LYS 16 -8.096 -8.939 4.407
137 3HZ LYS 16 3HZ LYS 16 -9.388 -8.319 5.318
138 H ALA 17 H ALA 17 -6.283 -1.673 5.570
139 HA ALA 17 HA ALA 17 -6.220 -0.936 8.268
140 1HB ALA 17 1HB ALA 17 -5.110 0.837 6.106
141 2HB ALA 17 2HB ALA 17 -4.390 -0.741 6.426
142 3HB ALA 17 3HB ALA 17 -4.442 0.479 7.698
143 H LYS 18 H LYS 18 -8.079 0.288 5.612
144 HA LYS 18 HA LYS 18 -8.670 2.836 6.880
145 1HB LYS 18 2HB LYS 18 -9.536 1.454 4.367
146 2HB LYS 18 1HB LYS 18 -10.509 2.783 4.990
147 1HG LYS 18 2HG LYS 18 -7.540 3.154 4.807
148 2HG LYS 18 1HG LYS 18 -8.495 3.251 3.328
149 1HD LYS 18 2HD LYS 18 -9.969 4.938 4.448
150 2HD LYS 18 1HD LYS 18 -8.885 4.907 5.839
151 1HE LYS 18 2HE LYS 18 -7.004 5.447 4.158
152 2HE LYS 18 1HE LYS 18 -8.298 5.858 3.033
153 1HZ LYS 18 1HZ LYS 18 -7.626 7.127 5.611
154 2HZ LYS 18 2HZ LYS 18 -9.170 7.297 4.929
155 3HZ LYS 18 3HZ LYS 18 -7.804 7.853 4.086
156 H ALA 19 H ALA 19 -10.401 -0.212 6.293
157 HA ALA 19 HA ALA 19 -12.790 0.650 7.631
158 1HB ALA 19 1HB ALA 19 -12.006 -2.212 7.100
159 2HB ALA 19 2HB ALA 19 -12.574 -1.144 5.814
160 3HB ALA 19 3HB ALA 19 -13.625 -1.514 7.183
161 H GLY 20 H GLY 20 -9.773 -0.536 8.743
162 1HA GLY 20 2HA GLY 20 -10.956 -1.510 11.262
163 2HA GLY 20 1HA GLY 20 -9.302 -1.787 10.728
164 H VAL 21 H VAL 21 -7.868 0.109 10.644
165 HA VAL 21 HA VAL 21 -8.456 2.583 11.883
166 HB VAL 21 HB VAL 21 -6.814 2.025 13.898
167 1HG1 VAL 21 1HG1 VAL 21 -9.499 0.947 14.485
168 2HG1 VAL 21 2HG1 VAL 21 -9.498 2.518 13.685
169 3HG1 VAL 21 3HG1 VAL 21 -8.645 2.305 15.213
170 1HG2 VAL 21 1HG2 VAL 21 -6.594 -0.376 13.049
171 2HG2 VAL 21 2HG2 VAL 21 -8.255 -0.620 13.586
172 3HG2 VAL 21 3HG2 VAL 21 -7.004 -0.198 14.754
173 H ILE 22 H ILE 22 -7.279 3.247 10.049
174 HA ILE 22 HA ILE 22 -4.660 2.312 9.451
175 HB ILE 22 HB ILE 22 -6.270 3.437 7.854
176 1HG1 ILE 22 2HG1 ILE 22 -3.650 4.906 7.824
177 2HG1 ILE 22 1HG1 ILE 22 -3.648 3.149 7.671
178 1HG2 ILE 22 1HG2 ILE 22 -6.414 5.826 7.819
179 2HG2 ILE 22 2HG2 ILE 22 -5.168 5.986 9.059
180 3HG2 ILE 22 3HG2 ILE 22 -6.753 5.335 9.480
181 1HD1 ILE 22 1HD1 ILE 22 -3.736 4.293 5.459
182 2HD1 ILE 22 2HD1 ILE 22 -5.271 5.025 5.926
183 3HD1 ILE 22 3HD1 ILE 22 -5.146 3.274 5.747
184 H THR 23 H THR 23 -2.696 3.620 9.492
185 HA THR 23 HA THR 23 -2.567 5.709 11.547
186 HB THR 23 HB THR 23 -0.496 3.568 11.725
187 HG1 THR 23 HG1 THR 23 -2.943 3.318 13.097
188 1HG2 THR 23 1HG2 THR 23 -0.339 4.290 13.966
189 2HG2 THR 23 2HG2 THR 23 -1.957 4.993 13.944
190 3HG2 THR 23 3HG2 THR 23 -0.643 5.775 13.064
191 H GLU 24 H GLU 24 -0.655 6.989 11.417
192 HA GLU 24 HA GLU 24 0.265 7.627 8.884
193 1HB GLU 24 2HB GLU 24 1.751 7.964 11.505
194 2HB GLU 24 1HB GLU 24 2.093 8.832 10.007
195 1HG GLU 24 2HG GLU 24 -0.430 9.511 10.118
196 2HG GLU 24 1HG GLU 24 -0.300 9.066 11.819
197 H GLU 25 H GLU 25 1.428 5.219 11.144
198 HA GLU 25 HA GLU 25 3.919 4.618 9.983
199 1HB GLU 25 2HB GLU 25 1.957 2.965 11.578
200 2HB GLU 25 1HB GLU 25 3.510 2.326 11.044
201 1HG GLU 25 2HG GLU 25 4.702 4.066 12.248
202 2HG GLU 25 1HG GLU 25 3.188 4.861 12.674
203 H GLU 26 H GLU 26 0.772 2.987 9.549
204 HA GLU 26 HA GLU 26 1.618 1.253 7.491
205 1HB GLU 26 2HB GLU 26 -1.052 2.236 8.446
206 2HB GLU 26 1HB GLU 26 -0.948 1.287 6.964
207 1HG GLU 26 2HG GLU 26 -1.282 -0.332 8.653
208 2HG GLU 26 1HG GLU 26 0.454 -0.381 8.355
209 H LYS 27 H LYS 27 0.172 4.486 7.420
210 HA LYS 27 HA LYS 27 -0.335 4.745 4.700
211 1HB LYS 27 2HB LYS 27 0.364 6.658 6.891
212 2HB LYS 27 1HB LYS 27 0.375 7.245 5.229
213 1HG LYS 27 2HG LYS 27 -1.912 6.680 4.901
214 2HG LYS 27 1HG LYS 27 -1.957 5.693 6.361
215 1HD LYS 27 2HD LYS 27 -1.762 7.642 7.773
216 2HD LYS 27 1HD LYS 27 -1.460 8.683 6.381
217 1HE LYS 27 2HE LYS 27 -4.021 7.127 6.859
218 2HE LYS 27 1HE LYS 27 -3.812 8.849 7.176
219 1HZ LYS 27 1HZ LYS 27 -4.793 8.611 5.042
220 2HZ LYS 27 2HZ LYS 27 -3.637 7.466 4.556
221 3HZ LYS 27 3HZ LYS 27 -3.183 9.086 4.795
222 H ALA 28 H ALA 28 2.675 5.327 6.483
223 HA ALA 28 HA ALA 28 4.225 6.224 4.303
224 1HB ALA 28 1HB ALA 28 6.170 5.503 5.733
225 2HB ALA 28 2HB ALA 28 5.004 4.837 6.876
226 3HB ALA 28 3HB ALA 28 5.024 6.570 6.544
227 H GLU 29 H GLU 29 3.637 2.982 5.623
228 HA GLU 29 HA GLU 29 5.464 1.541 4.071
229 1HB GLU 29 2HB GLU 29 4.282 0.520 5.941
230 2HB GLU 29 1HB GLU 29 2.745 0.685 5.095
231 1HG GLU 29 2HG GLU 29 3.373 -0.898 3.427
232 2HG GLU 29 1HG GLU 29 5.068 -0.845 3.909
233 H GLN 30 H GLN 30 1.980 2.079 3.399
234 HA GLN 30 HA GLN 30 1.843 0.845 0.923
235 1HB GLN 30 2HB GLN 30 0.391 3.435 1.390
236 2HB GLN 30 1HB GLN 30 -0.162 1.983 0.554
237 1HG GLN 30 2HG GLN 30 0.114 0.841 2.897
238 2HG GLN 30 1HG GLN 30 0.061 2.491 3.509
239 1HE2 GLN 30 1HE2 GLN 30 -2.034 1.150 4.423
240 2HE2 GLN 30 2HE2 GLN 30 -3.450 1.440 3.535
241 H GLN 31 H GLN 31 2.825 4.179 1.663
242 HA GLN 31 HA GLN 31 3.149 5.084 -0.975
243 1HB GLN 31 2HB GLN 31 3.195 6.481 1.141
244 2HB GLN 31 1HB GLN 31 4.857 5.934 1.372
245 1HG GLN 31 2HG GLN 31 5.616 7.009 -0.582
246 2HG GLN 31 1HG GLN 31 3.992 7.141 -1.251
247 1HE2 GLN 31 1HE2 GLN 31 5.515 9.470 -1.160
248 2HE2 GLN 31 2HE2 GLN 31 4.922 10.506 0.048
249 H LYS 32 H LYS 32 5.377 3.391 1.199
250 HA LYS 32 HA LYS 32 7.688 3.531 -0.409
251 1HB LYS 32 2HB LYS 32 7.437 2.745 2.038
252 2HB LYS 32 1HB LYS 32 7.028 1.174 1.348
253 1HG LYS 32 2HG LYS 32 9.153 1.146 0.110
254 2HG LYS 32 1HG LYS 32 9.564 2.732 0.764
255 1HD LYS 32 2HD LYS 32 9.245 1.643 3.088
256 2HD LYS 32 1HD LYS 32 9.332 0.104 2.229
257 1HE LYS 32 2HE LYS 32 11.564 0.649 2.975
258 2HE LYS 32 1HE LYS 32 11.516 0.876 1.227
259 1HZ LYS 32 1HZ LYS 32 11.253 3.218 1.524
260 2HZ LYS 32 2HZ LYS 32 12.594 2.719 2.440
261 3HZ LYS 32 3HZ LYS 32 11.113 3.053 3.205
262 H LEU 33 H LEU 33 5.301 0.894 -0.091
263 HA LEU 33 HA LEU 33 6.330 -0.823 -2.027
264 1HB LEU 33 2HB LEU 33 3.506 -0.327 -1.080
265 2HB LEU 33 1HB LEU 33 3.901 -1.595 -2.241
266 HG LEU 33 HG LEU 33 5.496 -1.422 0.292
267 1HD1 LEU 33 1HD1 LEU 33 2.709 -2.596 0.043
268 2HD1 LEU 33 2HD1 LEU 33 3.212 -1.288 1.116
269 3HD1 LEU 33 3HD1 LEU 33 3.811 -2.925 1.381
270 1HD2 LEU 33 1HD2 LEU 33 4.446 -3.786 -1.295
271 2HD2 LEU 33 2HD2 LEU 33 5.707 -3.805 -0.063
272 3HD2 LEU 33 3HD2 LEU 33 5.999 -3.012 -1.610
273 H ARG 34 H ARG 34 3.882 1.731 -2.392
274 HA ARG 34 HA ARG 34 3.454 1.414 -5.161
275 1HB ARG 34 2HB ARG 34 1.946 2.680 -3.669
276 2HB ARG 34 1HB ARG 34 3.190 3.915 -3.471
277 1HG ARG 34 2HG ARG 34 3.013 4.633 -5.705
278 2HG ARG 34 1HG ARG 34 2.244 3.132 -6.224
279 1HD ARG 34 2HD ARG 34 0.752 5.246 -5.943
280 2HD ARG 34 1HD ARG 34 0.171 3.718 -5.286
281 HE ARG 34 HE ARG 34 1.637 5.026 -3.275
282 1HH1 ARG 34 1HH2 ARG 34 -1.258 5.416 -5.140
283 2HH1 ARG 34 2HH2 ARG 34 -2.100 6.284 -3.901
284 1HH2 ARG 34 1HH1 ARG 34 0.542 6.164 -1.654
285 2HH2 ARG 34 2HH1 ARG 34 -1.082 6.706 -1.925
286 H GLN 35 H GLN 35 5.652 3.527 -3.344
287 HA GLN 35 HA GLN 35 6.729 4.937 -5.526
288 1HB GLN 35 2HB GLN 35 7.028 5.626 -3.186
289 2HB GLN 35 1HB GLN 35 8.031 4.206 -2.891
290 1HG GLN 35 2HG GLN 35 9.699 4.986 -4.474
291 2HG GLN 35 1HG GLN 35 8.664 6.328 -4.959
292 1HE2 GLN 35 1HE2 GLN 35 8.244 5.924 -1.645
293 2HE2 GLN 35 2HE2 GLN 35 9.387 7.054 -1.100
294 H GLU 36 H GLU 36 7.673 1.877 -4.015
295 HA GLU 36 HA GLU 36 10.050 1.476 -5.511
296 1HB GLU 36 2HB GLU 36 8.201 -0.370 -4.008
297 2HB GLU 36 1HB GLU 36 9.591 -0.989 -4.902
298 1HG GLU 36 2HG GLU 36 11.110 0.397 -3.608
299 2HG GLU 36 1HG GLU 36 9.761 1.189 -2.799
300 H TYR 37 H TYR 37 6.683 0.483 -6.018
301 HA TYR 37 HA TYR 37 6.999 -1.168 -8.231
302 1HB TYR 37 2HB TYR 37 4.862 -0.548 -6.875
303 2HB TYR 37 1HB TYR 37 4.691 0.750 -8.057
304 HD1 TYR 37 HD1 TYR 37 5.265 -2.950 -7.823
305 HD2 TYR 37 HD2 TYR 37 3.689 0.311 -10.140
306 HE1 TYR 37 HE1 TYR 37 4.328 -4.560 -9.458
307 HE2 TYR 37 HE2 TYR 37 2.753 -1.301 -11.771
308 HH TYR 37 HH TYR 37 2.658 -4.703 -11.149
309 H LEU 38 H LEU 38 6.599 2.376 -8.146
310 HA LEU 38 HA LEU 38 6.551 2.802 -10.922
311 1HB LEU 38 2HB LEU 38 7.711 4.656 -8.824
312 2HB LEU 38 1HB LEU 38 7.145 5.110 -10.429
313 HG LEU 38 HG LEU 38 5.454 3.991 -8.176
314 1HD1 LEU 38 1HD1 LEU 38 6.220 6.458 -8.184
315 2HD1 LEU 38 2HD1 LEU 38 4.491 6.148 -8.030
316 3HD1 LEU 38 3HD1 LEU 38 5.163 6.643 -9.584
317 1HD2 LEU 38 1HD2 LEU 38 4.909 4.480 -11.095
318 2HD2 LEU 38 2HD2 LEU 38 3.608 4.659 -9.919
319 3HD2 LEU 38 3HD2 LEU 38 4.431 3.109 -10.094
320 H LYS 39 H LYS 39 9.294 2.780 -8.649
321 HA LYS 39 HA LYS 39 11.294 3.340 -10.581
322 1HB LYS 39 2HB LYS 39 11.475 3.464 -8.021
323 2HB LYS 39 1HB LYS 39 11.730 1.719 -8.071
324 1HG LYS 39 2HG LYS 39 13.903 2.774 -8.092
325 2HG LYS 39 1HG LYS 39 13.614 2.121 -9.702
326 1HD LYS 39 2HD LYS 39 13.398 4.205 -10.663
327 2HD LYS 39 1HD LYS 39 12.726 4.925 -9.201
328 1HE LYS 39 2HE LYS 39 14.846 5.189 -8.206
329 2HE LYS 39 1HE LYS 39 15.596 4.005 -9.277
330 1HZ LYS 39 1HZ LYS 39 15.088 6.816 -9.702
331 2HZ LYS 39 2HZ LYS 39 14.666 5.826 -11.017
332 3HZ LYS 39 3HZ LYS 39 16.252 5.803 -10.409
333 H GLY 40 H GLY 40 9.677 0.413 -9.565
334 1HA GLY 40 2HA GLY 40 11.520 -1.334 -10.999
335 2HA GLY 40 1HA GLY 40 10.093 -1.831 -10.094
336 H PHE 41 H PHE 41 9.066 0.681 -11.898
337 HA PHE 41 HA PHE 41 8.768 -0.502 -14.503
338 1HB PHE 41 2HB PHE 41 6.387 -0.476 -12.622
339 2HB PHE 41 1HB PHE 41 6.263 -0.677 -14.366
340 HD1 PHE 41 HD1 PHE 41 7.711 -2.607 -15.414
341 HD2 PHE 41 HD2 PHE 41 6.650 -2.342 -11.258
342 HE1 PHE 41 HE1 PHE 41 8.130 -5.038 -15.154
343 HE2 PHE 41 HE2 PHE 41 7.071 -4.773 -10.998
344 HZ PHE 41 HZ PHE 41 7.809 -6.120 -12.945
345 H ARG 42 H ARG 42 9.731 1.710 -14.666
346 HA ARG 42 HA ARG 42 7.963 3.958 -14.175
347 1HB ARG 42 2HB ARG 42 10.557 3.914 -14.009
348 2HB ARG 42 1HB ARG 42 10.519 4.086 -15.763
349 1HG ARG 42 2HG ARG 42 9.054 6.100 -15.484
350 2HG ARG 42 1HG ARG 42 9.253 5.955 -13.738
351 1HD ARG 42 2HD ARG 42 11.808 5.970 -14.277
352 2HD ARG 42 1HD ARG 42 11.308 6.660 -15.819
353 HE ARG 42 HE ARG 42 10.008 8.226 -14.032
354 1HH1 ARG 42 1HH2 ARG 42 13.291 7.147 -14.314
355 2HH1 ARG 42 2HH2 ARG 42 13.958 8.547 -13.546
356 1HH2 ARG 42 1HH1 ARG 42 10.882 10.060 -13.029
357 2HH2 ARG 42 2HH1 ARG 42 12.595 10.194 -12.818
Start of MODEL 14
1 1H MET 1 1HT MET 1 5.375 -12.916 -14.521
2 2H MET 1 2HT MET 1 4.438 -12.135 -13.339
3 3H MET 1 3HT MET 1 5.970 -12.754 -12.941
4 HA MET 1 HA MET 1 7.100 -11.113 -14.106
5 1HB MET 1 2HB MET 1 5.439 -11.398 -16.081
6 2HB MET 1 1HB MET 1 4.510 -10.119 -15.299
7 1HG MET 1 2HG MET 1 5.930 -8.984 -16.827
8 2HG MET 1 1HG MET 1 6.709 -8.779 -15.259
9 1HE MET 1 1HE MET 1 9.911 -9.050 -17.118
10 2HE MET 1 2HE MET 1 8.736 -8.090 -16.225
11 3HE MET 1 3HE MET 1 8.504 -8.372 -17.948
12 H ILE 2 H ILE 2 3.732 -10.342 -13.203
13 HA ILE 2 HA ILE 2 4.729 -8.148 -11.500
14 HB ILE 2 HB ILE 2 2.992 -7.636 -13.238
15 1HG1 ILE 2 2HG1 ILE 2 1.757 -7.290 -10.511
16 2HG1 ILE 2 1HG1 ILE 2 3.283 -6.492 -10.893
17 1HG2 ILE 2 1HG2 ILE 2 1.079 -9.157 -11.461
18 2HG2 ILE 2 2HG2 ILE 2 1.841 -9.916 -12.858
19 3HG2 ILE 2 3HG2 ILE 2 0.794 -8.516 -13.078
20 1HD1 ILE 2 1HD1 ILE 2 0.803 -6.257 -12.618
21 2HD1 ILE 2 2HD1 ILE 2 2.290 -5.315 -12.747
22 3HD1 ILE 2 3HD1 ILE 2 1.225 -5.097 -11.358
23 H SER 3 H SER 3 3.577 -11.324 -11.384
24 HA SER 3 HA SER 3 3.237 -12.742 -9.605
25 1HB SER 3 2HB SER 3 3.397 -10.451 -7.667
26 2HB SER 3 1HB SER 3 3.846 -12.137 -7.434
27 HG SER 3 HG SER 3 5.675 -10.804 -7.732
28 H ASN 4 H ASN 4 1.570 -9.647 -9.631
29 HA ASN 4 HA ASN 4 -0.667 -9.150 -9.506
30 1HB ASN 4 2HB ASN 4 -0.780 -11.605 -10.533
31 2HB ASN 4 1HB ASN 4 -1.462 -11.971 -8.948
32 1HD2 ASN 4 1HD2 ASN 4 -1.806 -9.201 -11.254
33 2HD2 ASN 4 2HD2 ASN 4 -3.504 -9.205 -11.215
34 H ALA 5 H ALA 5 0.834 -11.221 -7.135
35 HA ALA 5 HA ALA 5 -1.054 -11.032 -5.057
36 1HB ALA 5 1HB ALA 5 0.757 -11.657 -3.578
37 2HB ALA 5 2HB ALA 5 1.957 -11.162 -4.771
38 3HB ALA 5 3HB ALA 5 0.930 -12.560 -5.083
39 H LYS 6 H LYS 6 1.047 -8.705 -6.442
40 HA LYS 6 HA LYS 6 1.347 -6.956 -4.207
41 1HB LYS 6 2HB LYS 6 1.517 -6.496 -7.194
42 2HB LYS 6 1HB LYS 6 1.878 -5.254 -5.996
43 1HG LYS 6 2HG LYS 6 3.681 -6.564 -5.070
44 2HG LYS 6 1HG LYS 6 3.240 -7.960 -6.054
45 1HD LYS 6 2HD LYS 6 3.791 -6.729 -8.100
46 2HD LYS 6 1HD LYS 6 4.165 -5.290 -7.153
47 1HE LYS 6 2HE LYS 6 6.278 -6.261 -7.528
48 2HE LYS 6 1HE LYS 6 5.859 -6.806 -5.904
49 1HZ LYS 6 1HZ LYS 6 4.947 -8.847 -6.956
50 2HZ LYS 6 2HZ LYS 6 6.628 -8.670 -7.126
51 3HZ LYS 6 3HZ LYS 6 5.599 -8.330 -8.435
52 H ILE 7 H ILE 7 -0.914 -7.097 -6.942
53 HA ILE 7 HA ILE 7 -2.391 -4.785 -6.407
54 HB ILE 7 HB ILE 7 -3.502 -7.385 -7.493
55 1HG1 ILE 7 2HG1 ILE 7 -1.506 -6.891 -8.760
56 2HG1 ILE 7 1HG1 ILE 7 -2.881 -6.373 -9.732
57 1HG2 ILE 7 1HG2 ILE 7 -4.269 -4.532 -8.160
58 2HG2 ILE 7 2HG2 ILE 7 -5.074 -5.464 -6.897
59 3HG2 ILE 7 3HG2 ILE 7 -5.136 -6.010 -8.573
60 1HD1 ILE 7 1HD1 ILE 7 -2.496 -4.058 -8.542
61 2HD1 ILE 7 2HD1 ILE 7 -1.468 -4.522 -9.897
62 3HD1 ILE 7 3HD1 ILE 7 -0.879 -4.697 -8.245
63 H ALA 8 H ALA 8 -3.157 -8.140 -5.463
64 HA ALA 8 HA ALA 8 -5.378 -7.599 -3.869
65 1HB ALA 8 1HB ALA 8 -4.953 -9.779 -2.829
66 2HB ALA 8 2HB ALA 8 -3.319 -9.787 -3.493
67 3HB ALA 8 3HB ALA 8 -4.711 -9.866 -4.574
68 H ARG 9 H ARG 9 -1.940 -7.489 -3.085
69 HA ARG 9 HA ARG 9 -2.148 -7.289 -0.286
70 1HB ARG 9 2HB ARG 9 -0.034 -7.696 -1.544
71 2HB ARG 9 1HB ARG 9 -0.055 -6.013 -2.065
72 1HG ARG 9 2HG ARG 9 0.180 -5.214 0.178
73 2HG ARG 9 1HG ARG 9 -0.148 -6.811 0.852
74 1HD ARG 9 2HD ARG 9 2.269 -6.042 -0.808
75 2HD ARG 9 1HD ARG 9 2.258 -6.341 0.928
76 HE ARG 9 HE ARG 9 1.215 -8.624 -0.290
77 1HH1 ARG 9 1HH2 ARG 9 4.155 -6.792 -0.256
78 2HH1 ARG 9 2HH2 ARG 9 5.171 -8.161 -0.558
79 1HH2 ARG 9 1HH1 ARG 9 2.542 -10.418 -0.687
80 2HH2 ARG 9 2HH1 ARG 9 4.258 -10.214 -0.803
81 H ILE 10 H ILE 10 -1.160 -4.557 -2.328
82 HA ILE 10 HA ILE 10 -1.811 -2.543 -0.538
83 HB ILE 10 HB ILE 10 -1.763 -2.481 -3.564
84 1HG1 ILE 10 2HG1 ILE 10 0.283 -1.539 -1.528
85 2HG1 ILE 10 1HG1 ILE 10 0.337 -3.129 -2.290
86 1HG2 ILE 10 1HG2 ILE 10 -1.367 0.010 -3.145
87 2HG2 ILE 10 2HG2 ILE 10 -1.946 -0.268 -1.503
88 3HG2 ILE 10 3HG2 ILE 10 -3.014 -0.557 -2.876
89 1HD1 ILE 10 1HD1 ILE 10 0.286 -0.527 -3.842
90 2HD1 ILE 10 2HD1 ILE 10 0.563 -2.145 -4.487
91 3HD1 ILE 10 3HD1 ILE 10 1.764 -1.398 -3.435
92 H ASN 11 H ASN 11 -3.868 -4.194 -2.872
93 HA ASN 11 HA ASN 11 -6.072 -2.459 -2.859
94 1HB ASN 11 2HB ASN 11 -5.963 -4.241 -4.467
95 2HB ASN 11 1HB ASN 11 -5.908 -5.460 -3.195
96 1HD2 ASN 11 1HD2 ASN 11 -7.883 -6.535 -3.716
97 2HD2 ASN 11 2HD2 ASN 11 -9.397 -5.774 -3.627
98 H GLU 12 H GLU 12 -5.643 -5.446 -0.941
99 HA GLU 12 HA GLU 12 -7.896 -5.098 0.695
100 1HB GLU 12 2HB GLU 12 -6.504 -7.196 0.431
101 2HB GLU 12 1HB GLU 12 -5.330 -6.461 1.523
102 1HG GLU 12 2HG GLU 12 -7.106 -6.210 3.240
103 2HG GLU 12 1HG GLU 12 -8.247 -7.002 2.154
104 H LEU 13 H LEU 13 -4.498 -4.187 1.248
105 HA LEU 13 HA LEU 13 -4.821 -3.126 3.831
106 1HB LEU 13 2HB LEU 13 -2.758 -3.195 1.804
107 2HB LEU 13 1HB LEU 13 -2.813 -1.610 2.574
108 HG LEU 13 HG LEU 13 -2.839 -4.172 4.180
109 1HD1 LEU 13 1HD1 LEU 13 -0.395 -3.785 4.513
110 2HD1 LEU 13 2HD1 LEU 13 -0.456 -2.519 3.287
111 3HD1 LEU 13 3HD1 LEU 13 -0.794 -4.192 2.843
112 1HD2 LEU 13 1HD2 LEU 13 -3.537 -1.879 5.136
113 2HD2 LEU 13 2HD2 LEU 13 -1.843 -1.422 4.956
114 3HD2 LEU 13 3HD2 LEU 13 -2.287 -2.760 6.016
115 H ALA 14 H ALA 14 -4.800 -1.454 0.678
116 HA ALA 14 HA ALA 14 -5.293 1.135 1.599
117 1HB ALA 14 1HB ALA 14 -6.140 -0.196 -0.984
118 2HB ALA 14 2HB ALA 14 -4.671 0.738 -0.706
119 3HB ALA 14 3HB ALA 14 -6.242 1.538 -0.681
120 H ALA 15 H ALA 15 -7.510 -1.531 0.967
121 HA ALA 15 HA ALA 15 -9.937 -0.109 1.130
122 1HB ALA 15 1HB ALA 15 -10.993 -2.226 1.384
123 2HB ALA 15 2HB ALA 15 -9.535 -2.954 2.058
124 3HB ALA 15 3HB ALA 15 -9.591 -2.509 0.352
125 H LYS 16 H LYS 16 -7.921 -1.607 3.612
126 HA LYS 16 HA LYS 16 -9.681 -1.266 5.799
127 1HB LYS 16 2HB LYS 16 -7.402 -2.603 5.556
128 2HB LYS 16 1HB LYS 16 -6.720 -1.106 6.190
129 1HG LYS 16 2HG LYS 16 -7.189 -2.163 8.186
130 2HG LYS 16 1HG LYS 16 -8.738 -1.361 7.927
131 1HD LYS 16 2HD LYS 16 -9.519 -3.457 6.741
132 2HD LYS 16 1HD LYS 16 -8.032 -4.237 7.280
133 1HE LYS 16 2HE LYS 16 -10.258 -3.115 9.000
134 2HE LYS 16 1HE LYS 16 -9.710 -4.788 8.903
135 1HZ LYS 16 1HZ LYS 16 -8.332 -2.469 10.106
136 2HZ LYS 16 2HZ LYS 16 -7.482 -3.873 9.670
137 3HZ LYS 16 3HZ LYS 16 -8.725 -3.954 10.825
138 H ALA 17 H ALA 17 -6.866 0.633 4.760
139 HA ALA 17 HA ALA 17 -7.125 2.751 6.571
140 1HB ALA 17 1HB ALA 17 -5.177 2.260 4.993
141 2HB ALA 17 2HB ALA 17 -5.633 3.956 5.156
142 3HB ALA 17 3HB ALA 17 -6.131 3.042 3.732
143 H LYS 18 H LYS 18 -8.823 1.949 3.653
144 HA LYS 18 HA LYS 18 -10.086 4.572 3.412
145 1HB LYS 18 2HB LYS 18 -10.219 1.985 1.893
146 2HB LYS 18 1HB LYS 18 -11.507 3.174 1.698
147 1HG LYS 18 2HG LYS 18 -9.888 4.881 1.044
148 2HG LYS 18 1HG LYS 18 -8.553 3.766 1.336
149 1HD LYS 18 2HD LYS 18 -9.284 2.314 -0.455
150 2HD LYS 18 1HD LYS 18 -10.767 3.246 -0.668
151 1HE LYS 18 2HE LYS 18 -9.265 3.969 -2.393
152 2HE LYS 18 1HE LYS 18 -9.290 5.254 -1.187
153 1HZ LYS 18 1HZ LYS 18 -7.320 3.208 -0.697
154 2HZ LYS 18 2HZ LYS 18 -7.167 4.900 -0.648
155 3HZ LYS 18 3HZ LYS 18 -7.063 4.075 -2.130
156 H ALA 19 H ALA 19 -10.690 1.426 4.750
157 HA ALA 19 HA ALA 19 -13.499 1.779 5.205
158 1HB ALA 19 1HB ALA 19 -13.324 -0.266 6.531
159 2HB ALA 19 2HB ALA 19 -11.564 -0.162 6.494
160 3HB ALA 19 3HB ALA 19 -12.460 -0.460 5.006
161 H GLY 20 H GLY 20 -10.987 1.215 7.687
162 1HA GLY 20 2HA GLY 20 -12.454 3.077 9.446
163 2HA GLY 20 1HA GLY 20 -11.337 1.826 9.977
164 H VAL 21 H VAL 21 -9.049 2.119 9.423
165 HA VAL 21 HA VAL 21 -7.728 4.247 8.397
166 HB VAL 21 HB VAL 21 -8.847 5.877 9.727
167 1HG1 VAL 21 1HG1 VAL 21 -8.829 3.740 11.726
168 2HG1 VAL 21 2HG1 VAL 21 -9.912 5.120 11.573
169 3HG1 VAL 21 3HG1 VAL 21 -8.371 5.299 12.409
170 1HG2 VAL 21 1HG2 VAL 21 -6.420 5.458 11.439
171 2HG2 VAL 21 2HG2 VAL 21 -7.034 6.942 10.712
172 3HG2 VAL 21 3HG2 VAL 21 -6.200 5.753 9.714
173 H ILE 22 H ILE 22 -6.139 2.737 8.121
174 HA ILE 22 HA ILE 22 -5.129 0.980 10.064
175 HB ILE 22 HB ILE 22 -3.160 0.764 8.599
176 1HG1 ILE 22 2HG1 ILE 22 -4.392 3.006 6.966
177 2HG1 ILE 22 1HG1 ILE 22 -3.046 3.247 8.076
178 1HG2 ILE 22 1HG2 ILE 22 -4.325 -0.073 6.679
179 2HG2 ILE 22 2HG2 ILE 22 -5.667 1.044 6.926
180 3HG2 ILE 22 3HG2 ILE 22 -5.409 -0.286 8.054
181 1HD1 ILE 22 1HD1 ILE 22 -3.045 1.318 5.736
182 2HD1 ILE 22 2HD1 ILE 22 -1.695 1.620 6.829
183 3HD1 ILE 22 3HD1 ILE 22 -2.260 2.897 5.752
184 H THR 23 H THR 23 -2.443 1.269 10.300
185 HA THR 23 HA THR 23 -2.239 3.550 12.135
186 HB THR 23 HB THR 23 -0.309 1.249 11.753
187 HG1 THR 23 HG1 THR 23 -1.389 0.303 13.454
188 1HG2 THR 23 1HG2 THR 23 -0.621 3.488 13.738
189 2HG2 THR 23 2HG2 THR 23 0.838 2.919 12.927
190 3HG2 THR 23 3HG2 THR 23 0.127 1.968 14.231
191 H GLU 24 H GLU 24 -0.590 5.066 12.036
192 HA GLU 24 HA GLU 24 0.194 6.038 9.563
193 1HB GLU 24 2HB GLU 24 0.289 7.190 11.857
194 2HB GLU 24 1HB GLU 24 1.856 6.408 12.055
195 1HG GLU 24 2HG GLU 24 2.150 8.663 11.134
196 2HG GLU 24 1HG GLU 24 2.634 7.455 9.946
197 H GLU 25 H GLU 25 1.937 3.862 11.751
198 HA GLU 25 HA GLU 25 4.371 3.716 10.365
199 1HB GLU 25 2HB GLU 25 3.768 2.762 12.672
200 2HB GLU 25 1HB GLU 25 3.114 1.377 11.797
201 1HG GLU 25 2HG GLU 25 5.353 1.190 10.623
202 2HG GLU 25 1HG GLU 25 5.964 2.399 11.751
203 H GLU 26 H GLU 26 1.488 1.624 10.130
204 HA GLU 26 HA GLU 26 2.460 -0.018 8.048
205 1HB GLU 26 2HB GLU 26 0.426 -0.435 9.530
206 2HB GLU 26 1HB GLU 26 -0.442 0.700 8.499
207 1HG GLU 26 2HG GLU 26 -0.916 -1.373 7.502
208 2HG GLU 26 1HG GLU 26 0.420 -0.766 6.530
209 H LYS 27 H LYS 27 0.603 2.995 8.050
210 HA LYS 27 HA LYS 27 0.074 3.207 5.309
211 1HB LYS 27 2HB LYS 27 -0.747 4.707 7.229
212 2HB LYS 27 1HB LYS 27 0.783 5.563 7.057
213 1HG LYS 27 2HG LYS 27 0.290 6.244 4.842
214 2HG LYS 27 1HG LYS 27 -1.008 5.063 4.679
215 1HD LYS 27 2HD LYS 27 -1.205 7.156 6.822
216 2HD LYS 27 1HD LYS 27 -1.583 7.594 5.156
217 1HE LYS 27 2HE LYS 27 -3.150 5.601 5.091
218 2HE LYS 27 1HE LYS 27 -2.897 5.438 6.828
219 1HZ LYS 27 1HZ LYS 27 -3.918 7.449 7.254
220 2HZ LYS 27 2HZ LYS 27 -4.867 6.827 5.989
221 3HZ LYS 27 3HZ LYS 27 -3.704 8.025 5.673
222 H ALA 28 H ALA 28 2.926 4.065 7.207
223 HA ALA 28 HA ALA 28 4.391 5.400 5.211
224 1HB ALA 28 1HB ALA 28 4.841 4.929 7.814
225 2HB ALA 28 2HB ALA 28 6.139 5.344 6.696
226 3HB ALA 28 3HB ALA 28 5.857 3.659 7.133
227 H GLU 29 H GLU 29 4.146 1.971 6.068
228 HA GLU 29 HA GLU 29 6.092 0.949 4.328
229 1HB GLU 29 2HB GLU 29 4.518 -0.188 6.156
230 2HB GLU 29 1HB GLU 29 3.562 -0.585 4.730
231 1HG GLU 29 2HG GLU 29 6.506 -1.213 5.105
232 2HG GLU 29 1HG GLU 29 5.188 -2.374 5.234
233 H GLN 30 H GLN 30 2.595 1.415 3.809
234 HA GLN 30 HA GLN 30 2.365 0.490 1.211
235 1HB GLN 30 2HB GLN 30 0.960 2.862 2.465
236 2HB GLN 30 1HB GLN 30 0.449 2.039 0.991
237 1HG GLN 30 2HG GLN 30 0.853 0.035 2.975
238 2HG GLN 30 1HG GLN 30 -0.100 1.319 3.716
239 1HE2 GLN 30 1HE2 GLN 30 -2.268 1.642 2.958
240 2HE2 GLN 30 2HE2 GLN 30 -2.997 0.626 1.811
241 H GLN 31 H GLN 31 3.508 3.642 2.346
242 HA GLN 31 HA GLN 31 3.622 5.001 -0.096
243 1HB GLN 31 2HB GLN 31 4.018 6.031 2.142
244 2HB GLN 31 1HB GLN 31 5.592 5.237 2.193
245 1HG GLN 31 2HG GLN 31 6.451 6.531 0.437
246 2HG GLN 31 1HG GLN 31 4.848 6.950 -0.166
247 1HE2 GLN 31 1HE2 GLN 31 6.143 7.188 3.188
248 2HE2 GLN 31 2HE2 GLN 31 5.881 8.859 3.325
249 H LYS 32 H LYS 32 5.953 2.799 1.410
250 HA LYS 32 HA LYS 32 8.062 3.113 -0.421
251 1HB LYS 32 2HB LYS 32 8.233 1.916 1.756
252 2HB LYS 32 1HB LYS 32 7.278 0.599 1.077
253 1HG LYS 32 2HG LYS 32 8.965 -0.011 -0.445
254 2HG LYS 32 1HG LYS 32 9.776 1.551 -0.312
255 1HD LYS 32 2HD LYS 32 10.614 1.049 1.863
256 2HD LYS 32 1HD LYS 32 9.542 -0.341 2.036
257 1HE LYS 32 2HE LYS 32 10.882 -1.704 0.775
258 2HE LYS 32 1HE LYS 32 11.374 -0.396 -0.301
259 1HZ LYS 32 1HZ LYS 32 13.285 -0.758 0.872
260 2HZ LYS 32 2HZ LYS 32 12.476 -1.173 2.307
261 3HZ LYS 32 3HZ LYS 32 12.576 0.452 1.824
262 H LEU 33 H LEU 33 5.534 0.596 -0.324
263 HA LEU 33 HA LEU 33 6.179 -0.689 -2.721
264 1HB LEU 33 2HB LEU 33 3.407 -0.335 -1.555
265 2HB LEU 33 1HB LEU 33 3.933 -1.607 -2.658
266 HG LEU 33 HG LEU 33 5.145 -1.159 0.086
267 1HD1 LEU 33 1HD1 LEU 33 3.835 -3.333 0.572
268 2HD1 LEU 33 2HD1 LEU 33 2.868 -2.911 -0.841
269 3HD1 LEU 33 3HD1 LEU 33 2.924 -1.823 0.547
270 1HD2 LEU 33 1HD2 LEU 33 6.696 -2.367 -1.215
271 2HD2 LEU 33 2HD2 LEU 33 5.431 -3.234 -2.086
272 3HD2 LEU 33 3HD2 LEU 33 5.783 -3.640 -0.406
273 H ARG 34 H ARG 34 3.743 1.850 -2.153
274 HA ARG 34 HA ARG 34 2.806 2.189 -4.734
275 1HB ARG 34 2HB ARG 34 2.030 3.314 -2.568
276 2HB ARG 34 1HB ARG 34 3.301 4.499 -2.858
277 1HG ARG 34 2HG ARG 34 2.274 4.732 -5.224
278 2HG ARG 34 1HG ARG 34 0.871 3.907 -4.547
279 1HD ARG 34 2HD ARG 34 1.994 6.604 -3.856
280 2HD ARG 34 1HD ARG 34 0.323 6.144 -4.172
281 HE ARG 34 HE ARG 34 0.950 4.776 -1.887
282 1HH1 ARG 34 1HH2 ARG 34 1.153 8.082 -2.909
283 2HH1 ARG 34 2HH2 ARG 34 0.926 8.728 -1.319
284 1HH2 ARG 34 1HH1 ARG 34 0.658 5.622 0.196
285 2HH2 ARG 34 2HH1 ARG 34 0.647 7.337 0.437
286 H GLN 35 H GLN 35 5.554 3.852 -3.189
287 HA GLN 35 HA GLN 35 6.302 5.414 -5.412
288 1HB GLN 35 2HB GLN 35 7.078 5.758 -3.058
289 2HB GLN 35 1HB GLN 35 8.115 4.343 -3.237
290 1HG GLN 35 2HG GLN 35 9.377 5.392 -4.998
291 2HG GLN 35 1HG GLN 35 8.232 6.727 -5.101
292 1HE2 GLN 35 1HE2 GLN 35 10.017 8.250 -4.626
293 2HE2 GLN 35 2HE2 GLN 35 10.606 8.408 -3.042
294 H GLU 36 H GLU 36 7.173 2.138 -4.430
295 HA GLU 36 HA GLU 36 9.255 1.730 -6.304
296 1HB GLU 36 2HB GLU 36 8.738 0.305 -4.273
297 2HB GLU 36 1HB GLU 36 7.406 -0.390 -5.195
298 1HG GLU 36 2HG GLU 36 9.215 -1.881 -5.549
299 2HG GLU 36 1HG GLU 36 9.142 -0.909 -7.014
300 H TYR 37 H TYR 37 5.764 1.132 -6.441
301 HA TYR 37 HA TYR 37 5.589 -0.247 -8.841
302 1HB TYR 37 2HB TYR 37 3.636 0.038 -7.469
303 2HB TYR 37 1HB TYR 37 3.712 1.791 -7.630
304 HD1 TYR 37 HD1 TYR 37 2.257 2.760 -9.155
305 HD2 TYR 37 HD2 TYR 37 3.686 -1.227 -9.876
306 HE1 TYR 37 HE1 TYR 37 0.881 2.638 -11.214
307 HE2 TYR 37 HE2 TYR 37 2.306 -1.350 -11.932
308 HH TYR 37 HH TYR 37 0.710 1.443 -13.242
309 H LEU 38 H LEU 38 5.717 3.271 -8.313
310 HA LEU 38 HA LEU 38 5.375 4.079 -10.983
311 1HB LEU 38 2HB LEU 38 6.531 5.293 -8.520
312 2HB LEU 38 1HB LEU 38 6.977 6.033 -10.057
313 HG LEU 38 HG LEU 38 4.926 7.045 -9.040
314 1HD1 LEU 38 1HD1 LEU 38 3.935 5.663 -11.488
315 2HD1 LEU 38 2HD1 LEU 38 5.432 6.582 -11.639
316 3HD1 LEU 38 3HD1 LEU 38 3.957 7.383 -11.096
317 1HD2 LEU 38 1HD2 LEU 38 4.195 4.708 -8.149
318 2HD2 LEU 38 2HD2 LEU 38 3.491 4.492 -9.752
319 3HD2 LEU 38 3HD2 LEU 38 2.946 5.814 -8.721
320 H LYS 39 H LYS 39 8.259 3.106 -9.189
321 HA LYS 39 HA LYS 39 10.170 3.764 -11.174
322 1HB LYS 39 2HB LYS 39 10.518 3.133 -8.680
323 2HB LYS 39 1HB LYS 39 10.486 1.466 -9.253
324 1HG LYS 39 2HG LYS 39 12.754 1.907 -9.434
325 2HG LYS 39 1HG LYS 39 12.218 2.400 -11.039
326 1HD LYS 39 2HD LYS 39 12.033 4.740 -10.249
327 2HD LYS 39 1HD LYS 39 12.604 4.239 -8.658
328 1HE LYS 39 2HE LYS 39 14.649 3.269 -9.931
329 2HE LYS 39 1HE LYS 39 14.117 4.290 -11.266
330 1HZ LYS 39 1HZ LYS 39 14.034 5.836 -8.960
331 2HZ LYS 39 2HZ LYS 39 15.096 5.989 -10.276
332 3HZ LYS 39 3HZ LYS 39 15.524 5.026 -8.944
333 H GLY 40 H GLY 40 7.980 1.105 -10.755
334 1HA GLY 40 2HA GLY 40 9.300 -0.658 -12.634
335 2HA GLY 40 1HA GLY 40 7.734 -0.916 -11.875
336 H PHE 41 H PHE 41 7.818 2.172 -13.169
337 HA PHE 41 HA PHE 41 7.238 1.603 -15.924
338 1HB PHE 41 2HB PHE 41 4.977 1.945 -13.966
339 2HB PHE 41 1HB PHE 41 4.803 2.512 -15.624
340 HD1 PHE 41 HD1 PHE 41 5.746 0.714 -17.437
341 HD2 PHE 41 HD2 PHE 41 4.227 -0.206 -13.525
342 HE1 PHE 41 HE1 PHE 41 5.251 -1.601 -18.173
343 HE2 PHE 41 HE2 PHE 41 3.734 -2.522 -14.262
344 HZ PHE 41 HZ PHE 41 4.246 -3.219 -16.586
345 H ARG 42 H ARG 42 8.683 3.295 -16.280
346 HA ARG 42 HA ARG 42 9.414 5.460 -16.522
347 1HB ARG 42 2HB ARG 42 6.424 5.671 -16.769
348 2HB ARG 42 1HB ARG 42 7.429 7.115 -16.859
349 1HG ARG 42 2HG ARG 42 7.127 6.316 -19.112
350 2HG ARG 42 1HG ARG 42 8.789 5.955 -18.647
351 1HD ARG 42 2HD ARG 42 7.529 4.063 -19.804
352 2HD ARG 42 1HD ARG 42 8.291 3.652 -18.273
353 HE ARG 42 HE ARG 42 6.171 3.374 -17.336
354 1HH1 ARG 42 1HH2 ARG 42 5.986 4.912 -20.441
355 2HH1 ARG 42 2HH2 ARG 42 4.264 4.770 -20.556
356 1HH2 ARG 42 1HH1 ARG 42 3.914 3.192 -17.491
357 2HH2 ARG 42 2HH1 ARG 42 3.094 3.799 -18.891
Start of MODEL 15
1 1H MET 1 1HT MET 1 7.254 -3.004 -10.563
2 2H MET 1 2HT MET 1 8.479 -2.488 -11.620
3 3H MET 1 3HT MET 1 8.687 -3.900 -10.700
4 HA MET 1 HA MET 1 6.745 -3.491 -12.903
5 1HB MET 1 2HB MET 1 9.127 -5.352 -12.633
6 2HB MET 1 1HB MET 1 8.067 -5.220 -14.034
7 1HG MET 1 2HG MET 1 9.865 -3.854 -14.650
8 2HG MET 1 1HG MET 1 8.731 -2.685 -13.972
9 1HE MET 1 1HE MET 1 12.195 -1.328 -12.901
10 2HE MET 1 2HE MET 1 10.835 -1.216 -14.014
11 3HE MET 1 3HE MET 1 12.080 -2.434 -14.275
12 H ILE 2 H ILE 2 6.819 -4.534 -9.872
13 HA ILE 2 HA ILE 2 6.034 -7.260 -10.019
14 HB ILE 2 HB ILE 2 6.876 -6.089 -7.960
15 1HG1 ILE 2 2HG1 ILE 2 4.962 -7.101 -6.469
16 2HG1 ILE 2 1HG1 ILE 2 4.319 -7.679 -8.005
17 1HG2 ILE 2 1HG2 ILE 2 4.052 -5.017 -7.747
18 2HG2 ILE 2 2HG2 ILE 2 5.397 -4.051 -8.353
19 3HG2 ILE 2 3HG2 ILE 2 5.428 -4.662 -6.700
20 1HD1 ILE 2 1HD1 ILE 2 7.030 -8.285 -6.801
21 2HD1 ILE 2 2HD1 ILE 2 6.613 -8.666 -8.472
22 3HD1 ILE 2 3HD1 ILE 2 5.731 -9.426 -7.147
23 H SER 3 H SER 3 4.071 -8.198 -10.300
24 HA SER 3 HA SER 3 1.614 -6.681 -10.151
25 1HB SER 3 2HB SER 3 0.955 -6.957 -12.467
26 2HB SER 3 1HB SER 3 2.488 -6.093 -12.412
27 HG SER 3 HG SER 3 3.401 -8.339 -12.608
28 H ASN 4 H ASN 4 1.580 -8.453 -8.504
29 HA ASN 4 HA ASN 4 0.124 -10.729 -9.602
30 1HB ASN 4 2HB ASN 4 1.481 -12.418 -8.557
31 2HB ASN 4 1HB ASN 4 2.544 -11.417 -9.544
32 1HD2 ASN 4 1HD2 ASN 4 2.922 -9.184 -7.861
33 2HD2 ASN 4 2HD2 ASN 4 3.709 -9.684 -6.442
34 H ALA 5 H ALA 5 0.521 -12.139 -6.987
35 HA ALA 5 HA ALA 5 -1.766 -11.323 -5.643
36 1HB ALA 5 1HB ALA 5 -0.799 -12.596 -3.687
37 2HB ALA 5 2HB ALA 5 0.674 -12.795 -4.637
38 3HB ALA 5 3HB ALA 5 -0.844 -13.491 -5.205
39 H LYS 6 H LYS 6 1.353 -9.873 -5.628
40 HA LYS 6 HA LYS 6 1.284 -8.642 -3.064
41 1HB LYS 6 2HB LYS 6 2.706 -7.781 -5.597
42 2HB LYS 6 1HB LYS 6 3.028 -7.150 -3.980
43 1HG LYS 6 2HG LYS 6 3.129 -10.118 -4.442
44 2HG LYS 6 1HG LYS 6 4.498 -9.120 -4.933
45 1HD LYS 6 2HD LYS 6 4.683 -8.215 -2.658
46 2HD LYS 6 1HD LYS 6 3.287 -9.168 -2.151
47 1HE LYS 6 2HE LYS 6 5.560 -10.610 -3.453
48 2HE LYS 6 1HE LYS 6 5.776 -10.062 -1.791
49 1HZ LYS 6 1HZ LYS 6 4.818 -12.081 -1.441
50 2HZ LYS 6 2HZ LYS 6 3.905 -12.039 -2.873
51 3HZ LYS 6 3HZ LYS 6 3.418 -11.129 -1.524
52 H ILE 7 H ILE 7 0.242 -7.605 -6.289
53 HA ILE 7 HA ILE 7 -0.463 -4.960 -5.730
54 HB ILE 7 HB ILE 7 -1.890 -6.879 -7.592
55 1HG1 ILE 7 2HG1 ILE 7 0.495 -6.874 -8.082
56 2HG1 ILE 7 1HG1 ILE 7 -0.328 -5.914 -9.309
57 1HG2 ILE 7 1HG2 ILE 7 -2.331 -4.722 -8.850
58 2HG2 ILE 7 2HG2 ILE 7 -1.737 -3.857 -7.433
59 3HG2 ILE 7 3HG2 ILE 7 -3.177 -4.866 -7.310
60 1HD1 ILE 7 1HD1 ILE 7 1.479 -4.538 -8.731
61 2HD1 ILE 7 2HD1 ILE 7 1.401 -4.983 -7.026
62 3HD1 ILE 7 3HD1 ILE 7 0.190 -3.900 -7.712
63 H ALA 8 H ALA 8 -2.486 -7.889 -5.570
64 HA ALA 8 HA ALA 8 -4.829 -6.650 -4.653
65 1HB ALA 8 1HB ALA 8 -3.946 -9.448 -3.920
66 2HB ALA 8 2HB ALA 8 -4.567 -9.026 -5.516
67 3HB ALA 8 3HB ALA 8 -5.593 -8.843 -4.095
68 H ARG 9 H ARG 9 -2.006 -7.854 -2.895
69 HA ARG 9 HA ARG 9 -3.079 -7.691 -0.292
70 1HB ARG 9 2HB ARG 9 -0.911 -8.803 -0.942
71 2HB ARG 9 1HB ARG 9 -0.195 -7.197 -1.061
72 1HG ARG 9 2HG ARG 9 -1.685 -7.766 1.451
73 2HG ARG 9 1HG ARG 9 -0.180 -8.660 1.227
74 1HD ARG 9 2HD ARG 9 -0.507 -5.648 1.117
75 2HD ARG 9 1HD ARG 9 0.280 -6.563 2.398
76 HE ARG 9 HE ARG 9 1.355 -6.018 -0.271
77 1HH1 ARG 9 1HH2 ARG 9 1.582 -7.710 2.746
78 2HH1 ARG 9 2HH2 ARG 9 3.266 -8.067 2.568
79 1HH2 ARG 9 1HH1 ARG 9 3.555 -6.491 -0.504
80 2HH2 ARG 9 2HH1 ARG 9 4.379 -7.393 0.724
81 H ILE 10 H ILE 10 -1.064 -5.358 -2.073
82 HA ILE 10 HA ILE 10 -1.035 -3.317 -0.185
83 HB ILE 10 HB ILE 10 -1.006 -3.109 -3.202
84 1HG1 ILE 10 2HG1 ILE 10 1.367 -2.936 -1.351
85 2HG1 ILE 10 1HG1 ILE 10 0.760 -4.511 -1.863
86 1HG2 ILE 10 1HG2 ILE 10 -0.383 -1.132 -0.997
87 2HG2 ILE 10 2HG2 ILE 10 -1.475 -0.924 -2.366
88 3HG2 ILE 10 3HG2 ILE 10 0.268 -0.954 -2.627
89 1HD1 ILE 10 1HD1 ILE 10 2.527 -3.742 -3.389
90 2HD1 ILE 10 2HD1 ILE 10 1.622 -2.262 -3.705
91 3HD1 ILE 10 3HD1 ILE 10 0.979 -3.817 -4.231
92 H ASN 11 H ASN 11 -3.180 -3.444 -3.055
93 HA ASN 11 HA ASN 11 -4.764 -1.257 -2.344
94 1HB ASN 11 2HB ASN 11 -5.945 -1.728 -4.225
95 2HB ASN 11 1HB ASN 11 -4.608 -2.828 -4.528
96 1HD2 ASN 11 1HD2 ASN 11 -5.014 -5.092 -3.310
97 2HD2 ASN 11 2HD2 ASN 11 -6.575 -5.727 -3.520
98 H GLU 12 H GLU 12 -4.966 -4.597 -1.280
99 HA GLU 12 HA GLU 12 -7.609 -4.593 -0.314
100 1HB GLU 12 2HB GLU 12 -5.161 -6.197 0.215
101 2HB GLU 12 1HB GLU 12 -6.437 -6.265 1.430
102 1HG GLU 12 2HG GLU 12 -8.014 -7.127 -0.087
103 2HG GLU 12 1HG GLU 12 -7.096 -6.590 -1.490
104 H LEU 13 H LEU 13 -4.660 -4.314 1.680
105 HA LEU 13 HA LEU 13 -5.990 -3.363 3.970
106 1HB LEU 13 2HB LEU 13 -3.864 -3.027 4.909
107 2HB LEU 13 1HB LEU 13 -3.622 -4.343 3.765
108 HG LEU 13 HG LEU 13 -3.138 -2.201 2.148
109 1HD1 LEU 13 1HD1 LEU 13 -3.387 -0.858 4.433
110 2HD1 LEU 13 2HD1 LEU 13 -2.159 -0.411 3.251
111 3HD1 LEU 13 3HD1 LEU 13 -1.720 -1.381 4.655
112 1HD2 LEU 13 1HD2 LEU 13 -1.701 -4.211 2.509
113 2HD2 LEU 13 2HD2 LEU 13 -1.102 -3.480 4.000
114 3HD2 LEU 13 3HD2 LEU 13 -0.766 -2.717 2.446
115 H ALA 14 H ALA 14 -4.882 -1.719 1.110
116 HA ALA 14 HA ALA 14 -4.613 0.898 2.035
117 1HB ALA 14 1HB ALA 14 -5.124 1.594 -0.273
118 2HB ALA 14 2HB ALA 14 -5.695 -0.033 -0.632
119 3HB ALA 14 3HB ALA 14 -3.998 0.237 -0.239
120 H ALA 15 H ALA 15 -7.494 -0.224 0.238
121 HA ALA 15 HA ALA 15 -9.134 1.906 1.083
122 1HB ALA 15 1HB ALA 15 -9.906 0.832 -0.828
123 2HB ALA 15 2HB ALA 15 -11.007 0.215 0.404
124 3HB ALA 15 3HB ALA 15 -9.659 -0.777 -0.149
125 H LYS 16 H LYS 16 -8.623 -1.308 2.446
126 HA LYS 16 HA LYS 16 -10.755 -1.313 4.292
127 1HB LYS 16 2HB LYS 16 -8.128 -2.751 4.101
128 2HB LYS 16 1HB LYS 16 -9.086 -2.881 5.579
129 1HG LYS 16 2HG LYS 16 -10.931 -3.835 4.437
130 2HG LYS 16 1HG LYS 16 -10.307 -3.351 2.857
131 1HD LYS 16 2HD LYS 16 -8.555 -4.971 2.939
132 2HD LYS 16 1HD LYS 16 -8.821 -5.276 4.656
133 1HE LYS 16 2HE LYS 16 -9.785 -6.939 2.832
134 2HE LYS 16 1HE LYS 16 -10.715 -6.561 4.278
135 1HZ LYS 16 1HZ LYS 16 -12.187 -6.282 2.504
136 2HZ LYS 16 2HZ LYS 16 -11.040 -5.469 1.548
137 3HZ LYS 16 3HZ LYS 16 -11.715 -4.703 2.905
138 H ALA 17 H ALA 17 -7.298 -0.692 4.914
139 HA ALA 17 HA ALA 17 -7.620 0.307 7.515
140 1HB ALA 17 1HB ALA 17 -5.459 1.187 5.596
141 2HB ALA 17 2HB ALA 17 -5.453 -0.398 6.372
142 3HB ALA 17 3HB ALA 17 -5.368 1.064 7.353
143 H LYS 18 H LYS 18 -8.370 1.691 4.466
144 HA LYS 18 HA LYS 18 -8.090 4.449 5.187
145 1HB LYS 18 2HB LYS 18 -8.382 3.349 2.821
146 2HB LYS 18 1HB LYS 18 -10.102 3.515 3.166
147 1HG LYS 18 2HG LYS 18 -9.672 5.564 2.157
148 2HG LYS 18 1HG LYS 18 -9.410 5.973 3.852
149 1HD LYS 18 2HD LYS 18 -7.447 6.805 2.961
150 2HD LYS 18 1HD LYS 18 -6.934 5.152 3.296
151 1HE LYS 18 2HE LYS 18 -6.265 5.344 1.084
152 2HE LYS 18 1HE LYS 18 -7.897 4.715 0.858
153 1HZ LYS 18 1HZ LYS 18 -7.534 7.614 1.062
154 2HZ LYS 18 2HZ LYS 18 -8.684 6.727 0.184
155 3HZ LYS 18 3HZ LYS 18 -7.089 6.852 -0.386
156 H ALA 19 H ALA 19 -11.083 2.603 4.589
157 HA ALA 19 HA ALA 19 -12.650 4.430 6.171
158 1HB ALA 19 1HB ALA 19 -13.217 1.869 4.694
159 2HB ALA 19 2HB ALA 19 -13.842 3.489 4.382
160 3HB ALA 19 3HB ALA 19 -14.422 2.573 5.773
161 H GLY 20 H GLY 20 -10.574 1.959 6.973
162 1HA GLY 20 2HA GLY 20 -12.117 1.085 9.325
163 2HA GLY 20 1HA GLY 20 -10.667 0.310 8.694
164 H VAL 21 H VAL 21 -8.634 1.567 8.844
165 HA VAL 21 HA VAL 21 -8.376 3.806 10.564
166 HB VAL 21 HB VAL 21 -8.922 2.400 12.402
167 1HG1 VAL 21 1HG1 VAL 21 -8.604 0.260 11.020
168 2HG1 VAL 21 2HG1 VAL 21 -8.143 0.173 12.720
169 3HG1 VAL 21 3HG1 VAL 21 -6.903 0.344 11.480
170 1HG2 VAL 21 1HG2 VAL 21 -6.638 3.717 12.399
171 2HG2 VAL 21 2HG2 VAL 21 -5.930 2.102 12.418
172 3HG2 VAL 21 3HG2 VAL 21 -7.006 2.608 13.720
173 H ILE 22 H ILE 22 -6.910 4.623 9.151
174 HA ILE 22 HA ILE 22 -4.684 3.001 8.219
175 HB ILE 22 HB ILE 22 -5.738 4.577 6.662
176 1HG1 ILE 22 2HG1 ILE 22 -3.644 5.830 5.995
177 2HG1 ILE 22 1HG1 ILE 22 -2.898 5.258 7.486
178 1HG2 ILE 22 1HG2 ILE 22 -5.855 6.892 7.009
179 2HG2 ILE 22 2HG2 ILE 22 -4.607 6.869 8.253
180 3HG2 ILE 22 3HG2 ILE 22 -6.220 6.253 8.610
181 1HD1 ILE 22 1HD1 ILE 22 -4.189 3.127 5.921
182 2HD1 ILE 22 2HD1 ILE 22 -2.588 3.167 6.659
183 3HD1 ILE 22 3HD1 ILE 22 -2.852 3.911 5.082
184 H THR 23 H THR 23 -2.911 2.741 9.362
185 HA THR 23 HA THR 23 -2.157 4.778 11.367
186 HB THR 23 HB THR 23 -1.147 1.933 11.199
187 HG1 THR 23 HG1 THR 23 -3.310 2.983 12.699
188 1HG2 THR 23 1HG2 THR 23 0.271 3.168 12.610
189 2HG2 THR 23 2HG2 THR 23 -0.898 2.473 13.733
190 3HG2 THR 23 3HG2 THR 23 -1.054 4.155 13.229
191 H GLU 24 H GLU 24 -0.086 5.600 11.416
192 HA GLU 24 HA GLU 24 1.267 6.101 9.067
193 1HB GLU 24 2HB GLU 24 2.622 5.878 11.762
194 2HB GLU 24 1HB GLU 24 3.099 6.892 10.401
195 1HG GLU 24 2HG GLU 24 0.608 7.176 12.105
196 2HG GLU 24 1HG GLU 24 1.962 8.298 12.005
197 H GLU 25 H GLU 25 1.507 3.327 11.176
198 HA GLU 25 HA GLU 25 3.925 2.222 10.265
199 1HB GLU 25 2HB GLU 25 2.519 1.493 12.262
200 2HB GLU 25 1HB GLU 25 1.492 0.641 11.110
201 1HG GLU 25 2HG GLU 25 3.001 -1.032 11.712
202 2HG GLU 25 1HG GLU 25 3.757 -0.381 10.259
203 H GLU 26 H GLU 26 0.631 1.145 9.362
204 HA GLU 26 HA GLU 26 1.511 -0.307 7.082
205 1HB GLU 26 2HB GLU 26 -1.271 0.799 7.501
206 2HB GLU 26 1HB GLU 26 -0.798 -0.618 6.567
207 1HG GLU 26 2HG GLU 26 0.253 -1.211 9.035
208 2HG GLU 26 1HG GLU 26 -1.214 -0.338 9.473
209 H LYS 27 H LYS 27 0.219 2.963 7.532
210 HA LYS 27 HA LYS 27 -0.134 3.709 4.869
211 1HB LYS 27 2HB LYS 27 -0.568 5.023 7.107
212 2HB LYS 27 1HB LYS 27 1.056 5.650 6.824
213 1HG LYS 27 2HG LYS 27 0.306 6.272 4.485
214 2HG LYS 27 1HG LYS 27 -1.335 5.850 4.974
215 1HD LYS 27 2HD LYS 27 -1.019 7.475 6.928
216 2HD LYS 27 1HD LYS 27 0.427 8.040 6.088
217 1HE LYS 27 2HE LYS 27 -1.227 9.505 5.297
218 2HE LYS 27 1HE LYS 27 -1.159 8.284 4.028
219 1HZ LYS 27 1HZ LYS 27 -3.199 7.557 4.514
220 2HZ LYS 27 2HZ LYS 27 -3.393 9.035 5.329
221 3HZ LYS 27 3HZ LYS 27 -2.952 7.640 6.191
222 H ALA 28 H ALA 28 2.789 3.734 6.871
223 HA ALA 28 HA ALA 28 4.522 4.901 4.955
224 1HB ALA 28 1HB ALA 28 5.156 4.793 7.299
225 2HB ALA 28 2HB ALA 28 6.332 3.881 6.351
226 3HB ALA 28 3HB ALA 28 5.090 3.032 7.272
227 H GLU 29 H GLU 29 3.567 1.574 5.663
228 HA GLU 29 HA GLU 29 5.373 0.205 4.018
229 1HB GLU 29 2HB GLU 29 3.762 -0.793 5.707
230 2HB GLU 29 1HB GLU 29 2.499 -0.608 4.491
231 1HG GLU 29 2HG GLU 29 3.181 -2.746 3.971
232 2HG GLU 29 1HG GLU 29 4.306 -1.845 2.959
233 H GLN 30 H GLN 30 1.935 0.737 3.217
234 HA GLN 30 HA GLN 30 2.067 0.144 0.523
235 1HB GLN 30 2HB GLN 30 0.166 2.046 0.446
236 2HB GLN 30 1HB GLN 30 -0.121 0.442 1.115
237 1HG GLN 30 2HG GLN 30 -0.085 1.192 3.301
238 2HG GLN 30 1HG GLN 30 0.996 2.533 2.933
239 1HE2 GLN 30 1HE2 GLN 30 -2.398 1.449 2.564
240 2HE2 GLN 30 2HE2 GLN 30 -3.041 3.014 2.417
241 H GLN 31 H GLN 31 2.755 3.235 2.122
242 HA GLN 31 HA GLN 31 3.051 4.847 -0.149
243 1HB GLN 31 2HB GLN 31 3.011 5.854 2.037
244 2HB GLN 31 1HB GLN 31 4.432 4.945 2.542
245 1HG GLN 31 2HG GLN 31 5.005 7.283 1.959
246 2HG GLN 31 1HG GLN 31 5.810 6.134 0.894
247 1HE2 GLN 31 1HE2 GLN 31 3.063 8.421 1.059
248 2HE2 GLN 31 2HE2 GLN 31 2.905 8.596 -0.622
249 H LYS 32 H LYS 32 5.396 2.768 1.518
250 HA LYS 32 HA LYS 32 7.659 3.420 -0.022
251 1HB LYS 32 2HB LYS 32 7.689 2.119 2.116
252 2HB LYS 32 1HB LYS 32 7.022 0.742 1.240
253 1HG LYS 32 2HG LYS 32 8.997 0.902 -0.334
254 2HG LYS 32 1HG LYS 32 9.690 2.098 0.762
255 1HD LYS 32 2HD LYS 32 10.658 0.164 1.603
256 2HD LYS 32 1HD LYS 32 9.193 0.232 2.583
257 1HE LYS 32 2HE LYS 32 8.060 -1.271 0.959
258 2HE LYS 32 1HE LYS 32 9.560 -1.377 0.036
259 1HZ LYS 32 1HZ LYS 32 8.799 -2.792 2.367
260 2HZ LYS 32 2HZ LYS 32 10.230 -1.925 2.656
261 3HZ LYS 32 3HZ LYS 32 10.147 -3.029 1.367
262 H LEU 33 H LEU 33 5.634 0.482 -0.290
263 HA LEU 33 HA LEU 33 6.655 -0.432 -2.719
264 1HB LEU 33 2HB LEU 33 3.812 -0.745 -1.721
265 2HB LEU 33 1HB LEU 33 4.625 -1.769 -2.904
266 HG LEU 33 HG LEU 33 5.470 -1.412 -0.010
267 1HD1 LEU 33 1HD1 LEU 33 4.193 -3.751 -1.461
268 2HD1 LEU 33 2HD1 LEU 33 3.414 -2.738 -0.246
269 3HD1 LEU 33 3HD1 LEU 33 4.765 -3.778 0.206
270 1HD2 LEU 33 1HD2 LEU 33 7.457 -1.876 -1.190
271 2HD2 LEU 33 2HD2 LEU 33 6.631 -2.908 -2.358
272 3HD2 LEU 33 3HD2 LEU 33 6.902 -3.479 -0.712
273 H ARG 34 H ARG 34 4.031 1.841 -2.070
274 HA ARG 34 HA ARG 34 2.985 2.108 -4.650
275 1HB ARG 34 2HB ARG 34 1.831 3.061 -2.766
276 2HB ARG 34 1HB ARG 34 3.201 4.100 -2.383
277 1HG ARG 34 2HG ARG 34 2.754 5.565 -4.118
278 2HG ARG 34 1HG ARG 34 2.000 4.321 -5.115
279 1HD ARG 34 2HD ARG 34 -0.055 4.540 -4.082
280 2HD ARG 34 1HD ARG 34 0.650 5.028 -2.545
281 HE ARG 34 HE ARG 34 0.496 7.229 -3.246
282 1HH1 ARG 34 1HH2 ARG 34 0.292 5.078 -5.956
283 2HH1 ARG 34 2HH2 ARG 34 -0.070 6.331 -7.095
284 1HH2 ARG 34 1HH1 ARG 34 0.023 8.870 -4.740
285 2HH2 ARG 34 2HH1 ARG 34 -0.211 8.475 -6.410
286 H GLN 35 H GLN 35 5.553 3.999 -3.054
287 HA GLN 35 HA GLN 35 6.124 5.696 -5.221
288 1HB GLN 35 2HB GLN 35 6.946 6.185 -2.991
289 2HB GLN 35 1HB GLN 35 7.917 4.714 -2.989
290 1HG GLN 35 2HG GLN 35 9.325 5.551 -4.759
291 2HG GLN 35 1HG GLN 35 8.259 6.927 -5.029
292 1HE2 GLN 35 1HE2 GLN 35 8.822 8.817 -3.945
293 2HE2 GLN 35 2HE2 GLN 35 9.865 8.893 -2.608
294 H GLU 36 H GLU 36 7.524 2.556 -4.301
295 HA GLU 36 HA GLU 36 9.458 2.476 -6.374
296 1HB GLU 36 2HB GLU 36 9.659 1.043 -4.427
297 2HB GLU 36 1HB GLU 36 8.144 0.231 -4.829
298 1HG GLU 36 2HG GLU 36 9.058 -0.884 -6.652
299 2HG GLU 36 1HG GLU 36 10.321 0.320 -6.892
300 H TYR 37 H TYR 37 6.209 1.021 -6.115
301 HA TYR 37 HA TYR 37 6.098 -0.334 -8.522
302 1HB TYR 37 2HB TYR 37 4.312 -0.546 -6.921
303 2HB TYR 37 1HB TYR 37 3.924 1.169 -7.050
304 HD1 TYR 37 HD1 TYR 37 4.223 -1.910 -9.178
305 HD2 TYR 37 HD2 TYR 37 2.256 1.856 -8.538
306 HE1 TYR 37 HE1 TYR 37 2.675 -2.403 -11.051
307 HE2 TYR 37 HE2 TYR 37 0.709 1.366 -10.414
308 HH TYR 37 HH TYR 37 1.110 -1.543 -12.410
309 H LEU 38 H LEU 38 5.484 3.105 -7.906
310 HA LEU 38 HA LEU 38 4.567 3.827 -10.456
311 1HB LEU 38 2HB LEU 38 5.702 5.225 -8.112
312 2HB LEU 38 1HB LEU 38 5.926 6.060 -9.647
313 HG LEU 38 HG LEU 38 3.789 6.655 -8.443
314 1HD1 LEU 38 1HD1 LEU 38 4.248 6.546 -11.064
315 2HD1 LEU 38 2HD1 LEU 38 2.647 6.932 -10.438
316 3HD1 LEU 38 3HD1 LEU 38 3.006 5.297 -10.992
317 1HD2 LEU 38 1HD2 LEU 38 2.578 4.095 -9.368
318 2HD2 LEU 38 2HD2 LEU 38 2.172 5.092 -7.970
319 3HD2 LEU 38 3HD2 LEU 38 3.567 4.018 -7.911
320 H LYS 39 H LYS 39 7.854 3.563 -9.169
321 HA LYS 39 HA LYS 39 9.198 4.592 -11.448
322 1HB LYS 39 2HB LYS 39 10.114 2.673 -9.290
323 2HB LYS 39 1HB LYS 39 11.180 3.387 -10.499
324 1HG LYS 39 2HG LYS 39 9.426 5.240 -8.946
325 2HG LYS 39 1HG LYS 39 10.809 4.531 -8.110
326 1HD LYS 39 2HD LYS 39 12.363 5.537 -9.537
327 2HD LYS 39 1HD LYS 39 11.187 5.738 -10.838
328 1HE LYS 39 2HE LYS 39 11.689 7.901 -9.767
329 2HE LYS 39 1HE LYS 39 10.005 7.449 -9.511
330 1HZ LYS 39 1HZ LYS 39 12.104 6.758 -7.551
331 2HZ LYS 39 2HZ LYS 39 10.422 6.831 -7.322
332 3HZ LYS 39 3HZ LYS 39 11.321 8.262 -7.510
333 H GLY 40 H GLY 40 7.981 1.425 -10.573
334 1HA GLY 40 2HA GLY 40 9.155 0.188 -12.962
335 2HA GLY 40 1HA GLY 40 8.330 -0.652 -11.653
336 H PHE 41 H PHE 41 6.559 2.056 -12.435
337 HA PHE 41 HA PHE 41 5.167 1.258 -14.774
338 1HB PHE 41 2HB PHE 41 4.509 -0.531 -13.002
339 2HB PHE 41 1HB PHE 41 3.545 0.754 -12.288
340 HD1 PHE 41 HD1 PHE 41 4.172 -1.027 -15.517
341 HD2 PHE 41 HD2 PHE 41 1.431 1.303 -13.166
342 HE1 PHE 41 HE1 PHE 41 2.394 -1.409 -17.205
343 HE2 PHE 41 HE2 PHE 41 -0.342 0.922 -14.856
344 HZ PHE 41 HZ PHE 41 0.137 -0.433 -16.875
345 H ARG 42 H ARG 42 5.659 3.565 -14.928
346 HA ARG 42 HA ARG 42 4.371 5.445 -13.180
347 1HB ARG 42 2HB ARG 42 6.434 6.000 -14.432
348 2HB ARG 42 1HB ARG 42 5.540 5.858 -15.944
349 1HG ARG 42 2HG ARG 42 5.604 8.198 -15.373
350 2HG ARG 42 1HG ARG 42 3.959 7.632 -15.081
351 1HD ARG 42 2HD ARG 42 4.098 8.135 -12.890
352 2HD ARG 42 1HD ARG 42 5.610 7.247 -12.723
353 HE ARG 42 HE ARG 42 5.313 10.104 -13.123
354 1HH1 ARG 42 1HH2 ARG 42 7.366 7.325 -13.394
355 2HH1 ARG 42 2HH2 ARG 42 8.836 8.237 -13.353
356 1HH2 ARG 42 1HH1 ARG 42 7.244 11.300 -13.074
357 2HH2 ARG 42 2HH1 ARG 42 8.768 10.481 -13.173
Start of MODEL 16
1 1H MET 1 1HT MET 1 5.919 -13.740 -14.345
2 2H MET 1 2HT MET 1 5.251 -14.994 -15.276
3 3H MET 1 3HT MET 1 4.839 -14.840 -13.635
4 HA MET 1 HA MET 1 4.284 -12.639 -15.511
5 1HB MET 1 2HB MET 1 1.984 -13.649 -15.769
6 2HB MET 1 1HB MET 1 3.260 -14.548 -16.589
7 1HG MET 1 2HG MET 1 3.254 -16.267 -14.991
8 2HG MET 1 1HG MET 1 2.471 -15.262 -13.770
9 1HE MET 1 1HE MET 1 1.787 -18.270 -14.821
10 2HE MET 1 2HE MET 1 0.030 -18.247 -14.685
11 3HE MET 1 3HE MET 1 1.016 -17.516 -13.420
12 H ILE 2 H ILE 2 2.095 -11.682 -14.697
13 HA ILE 2 HA ILE 2 2.367 -11.333 -11.794
14 HB ILE 2 HB ILE 2 0.803 -9.733 -13.835
15 1HG1 ILE 2 2HG1 ILE 2 3.301 -8.916 -12.334
16 2HG1 ILE 2 1HG1 ILE 2 3.380 -9.703 -13.910
17 1HG2 ILE 2 1HG2 ILE 2 0.994 -8.081 -11.764
18 2HG2 ILE 2 2HG2 ILE 2 1.115 -9.588 -10.857
19 3HG2 ILE 2 3HG2 ILE 2 -0.306 -9.267 -11.850
20 1HD1 ILE 2 1HD1 ILE 2 3.368 -7.110 -13.854
21 2HD1 ILE 2 2HD1 ILE 2 1.651 -7.268 -13.482
22 3HD1 ILE 2 3HD1 ILE 2 2.290 -7.914 -14.994
23 H SER 3 H SER 3 1.160 -12.641 -10.597
24 HA SER 3 HA SER 3 -1.359 -13.717 -11.582
25 1HB SER 3 2HB SER 3 0.135 -15.193 -10.336
26 2HB SER 3 1HB SER 3 0.117 -14.094 -8.961
27 HG SER 3 HG SER 3 -2.380 -14.795 -9.836
28 H ASN 4 H ASN 4 -0.898 -10.797 -10.930
29 HA ASN 4 HA ASN 4 -2.064 -9.047 -10.020
30 1HB ASN 4 2HB ASN 4 -4.195 -11.184 -9.768
31 2HB ASN 4 1HB ASN 4 -4.472 -9.465 -9.497
32 1HD2 ASN 4 1HD2 ASN 4 -2.146 -10.163 -11.984
33 2HD2 ASN 4 2HD2 ASN 4 -3.173 -9.877 -13.305
34 H ALA 5 H ALA 5 -0.472 -10.959 -8.322
35 HA ALA 5 HA ALA 5 -1.764 -10.987 -5.745
36 1HB ALA 5 1HB ALA 5 0.774 -11.537 -5.125
37 2HB ALA 5 2HB ALA 5 0.859 -11.852 -6.859
38 3HB ALA 5 3HB ALA 5 -0.290 -12.739 -5.856
39 H LYS 6 H LYS 6 0.473 -8.899 -7.457
40 HA LYS 6 HA LYS 6 1.369 -7.415 -5.192
41 1HB LYS 6 2HB LYS 6 2.370 -7.544 -7.590
42 2HB LYS 6 1HB LYS 6 1.211 -6.269 -7.966
43 1HG LYS 6 2HG LYS 6 2.135 -4.826 -6.263
44 2HG LYS 6 1HG LYS 6 3.164 -6.122 -5.655
45 1HD LYS 6 2HD LYS 6 4.314 -6.191 -7.876
46 2HD LYS 6 1HD LYS 6 3.353 -4.801 -8.378
47 1HE LYS 6 2HE LYS 6 5.612 -4.147 -7.542
48 2HE LYS 6 1HE LYS 6 4.310 -3.444 -6.584
49 1HZ LYS 6 1HZ LYS 6 4.999 -4.523 -4.790
50 2HZ LYS 6 2HZ LYS 6 6.394 -4.966 -5.651
51 3HZ LYS 6 3HZ LYS 6 5.054 -6.009 -5.603
52 H ILE 7 H ILE 7 -0.964 -6.573 -7.771
53 HA ILE 7 HA ILE 7 -1.899 -4.187 -6.671
54 HB ILE 7 HB ILE 7 -3.268 -6.256 -8.403
55 1HG1 ILE 7 2HG1 ILE 7 -2.271 -3.461 -9.047
56 2HG1 ILE 7 1HG1 ILE 7 -1.297 -4.913 -9.278
57 1HG2 ILE 7 1HG2 ILE 7 -4.874 -4.294 -8.863
58 2HG2 ILE 7 2HG2 ILE 7 -4.257 -3.590 -7.369
59 3HG2 ILE 7 3HG2 ILE 7 -5.082 -5.148 -7.334
60 1HD1 ILE 7 1HD1 ILE 7 -2.435 -4.284 -11.374
61 2HD1 ILE 7 2HD1 ILE 7 -3.996 -4.379 -10.559
62 3HD1 ILE 7 3HD1 ILE 7 -3.028 -5.837 -10.783
63 H ALA 8 H ALA 8 -3.100 -7.504 -6.218
64 HA ALA 8 HA ALA 8 -5.283 -6.964 -4.575
65 1HB ALA 8 1HB ALA 8 -4.876 -9.281 -3.662
66 2HB ALA 8 2HB ALA 8 -3.384 -9.319 -4.601
67 3HB ALA 8 3HB ALA 8 -4.938 -9.190 -5.422
68 H ARG 9 H ARG 9 -1.868 -7.436 -3.711
69 HA ARG 9 HA ARG 9 -2.181 -7.254 -0.910
70 1HB ARG 9 2HB ARG 9 -0.112 -7.955 -2.348
71 2HB ARG 9 1HB ARG 9 0.268 -6.234 -2.327
72 1HG ARG 9 2HG ARG 9 -0.116 -6.434 0.253
73 2HG ARG 9 1HG ARG 9 0.116 -8.161 -0.020
74 1HD ARG 9 2HD ARG 9 2.249 -7.455 -1.316
75 2HD ARG 9 1HD ARG 9 2.057 -5.906 -0.502
76 HE ARG 9 HE ARG 9 2.820 -6.908 1.439
77 1HH1 ARG 9 1HH2 ARG 9 1.694 -9.314 -0.790
78 2HH1 ARG 9 2HH2 ARG 9 2.235 -10.650 0.169
79 1HH2 ARG 9 1HH1 ARG 9 3.530 -8.655 2.696
80 2HH2 ARG 9 2HH1 ARG 9 3.260 -10.276 2.151
81 H ILE 10 H ILE 10 -1.402 -4.802 -3.356
82 HA ILE 10 HA ILE 10 -1.078 -2.598 -1.683
83 HB ILE 10 HB ILE 10 -2.035 -2.809 -4.536
84 1HG1 ILE 10 2HG1 ILE 10 0.577 -1.806 -3.357
85 2HG1 ILE 10 1HG1 ILE 10 0.333 -3.464 -3.903
86 1HG2 ILE 10 1HG2 ILE 10 -1.294 -0.283 -4.468
87 2HG2 ILE 10 2HG2 ILE 10 -1.660 -0.419 -2.748
88 3HG2 ILE 10 3HG2 ILE 10 -2.919 -0.723 -3.944
89 1HD1 ILE 10 1HD1 ILE 10 -0.526 -2.199 -6.105
90 2HD1 ILE 10 2HD1 ILE 10 1.179 -2.570 -5.851
91 3HD1 ILE 10 3HD1 ILE 10 0.568 -0.954 -5.502
92 H ASN 11 H ASN 11 -4.046 -3.315 -3.576
93 HA ASN 11 HA ASN 11 -5.618 -1.366 -2.322
94 1HB ASN 11 2HB ASN 11 -7.577 -2.727 -3.155
95 2HB ASN 11 1HB ASN 11 -6.402 -2.261 -4.379
96 1HD2 ASN 11 1HD2 ASN 11 -6.850 -5.014 -2.070
97 2HD2 ASN 11 2HD2 ASN 11 -6.454 -6.208 -3.208
98 H GLU 12 H GLU 12 -4.808 -4.614 -1.288
99 HA GLU 12 HA GLU 12 -6.875 -5.012 0.586
100 1HB GLU 12 2HB GLU 12 -5.312 -6.795 -0.105
101 2HB GLU 12 1HB GLU 12 -3.999 -5.966 0.730
102 1HG GLU 12 2HG GLU 12 -5.150 -6.219 2.871
103 2HG GLU 12 1HG GLU 12 -6.543 -6.937 2.069
104 H LEU 13 H LEU 13 -3.639 -3.594 0.963
105 HA LEU 13 HA LEU 13 -3.843 -2.932 3.692
106 1HB LEU 13 2HB LEU 13 -2.124 -2.129 1.408
107 2HB LEU 13 1HB LEU 13 -2.181 -1.014 2.774
108 HG LEU 13 HG LEU 13 -1.815 -3.944 3.312
109 1HD1 LEU 13 1HD1 LEU 13 -0.131 -3.622 1.646
110 2HD1 LEU 13 2HD1 LEU 13 0.695 -3.467 3.196
111 3HD1 LEU 13 3HD1 LEU 13 0.282 -2.023 2.270
112 1HD2 LEU 13 1HD2 LEU 13 -0.512 -3.016 5.211
113 2HD2 LEU 13 2HD2 LEU 13 -2.151 -2.365 5.172
114 3HD2 LEU 13 3HD2 LEU 13 -0.799 -1.387 4.600
115 H ALA 14 H ALA 14 -4.377 -0.927 0.795
116 HA ALA 14 HA ALA 14 -5.184 1.413 2.094
117 1HB ALA 14 1HB ALA 14 -4.645 1.363 -0.285
118 2HB ALA 14 2HB ALA 14 -6.276 1.994 -0.051
119 3HB ALA 14 3HB ALA 14 -6.040 0.333 -0.600
120 H ALA 15 H ALA 15 -7.016 -1.473 1.203
121 HA ALA 15 HA ALA 15 -9.614 -0.493 1.632
122 1HB ALA 15 1HB ALA 15 -8.609 -3.297 2.164
123 2HB ALA 15 2HB ALA 15 -9.086 -2.685 0.581
124 3HB ALA 15 3HB ALA 15 -10.280 -2.818 1.872
125 H LYS 16 H LYS 16 -7.260 -1.913 3.859
126 HA LYS 16 HA LYS 16 -8.904 -1.999 6.153
127 1HB LYS 16 2HB LYS 16 -5.989 -2.103 5.598
128 2HB LYS 16 1HB LYS 16 -6.451 -1.606 7.226
129 1HG LYS 16 2HG LYS 16 -7.950 -3.634 7.334
130 2HG LYS 16 1HG LYS 16 -7.252 -4.161 5.803
131 1HD LYS 16 2HD LYS 16 -5.720 -3.646 8.371
132 2HD LYS 16 1HD LYS 16 -6.088 -5.231 7.689
133 1HE LYS 16 2HE LYS 16 -4.252 -3.102 6.579
134 2HE LYS 16 1HE LYS 16 -3.860 -4.768 6.997
135 1HZ LYS 16 1HZ LYS 16 -4.062 -4.663 4.658
136 2HZ LYS 16 2HZ LYS 16 -5.534 -3.821 4.743
137 3HZ LYS 16 3HZ LYS 16 -5.454 -5.448 5.223
138 H ALA 17 H ALA 17 -6.541 0.411 5.035
139 HA ALA 17 HA ALA 17 -6.993 2.336 7.034
140 1HB ALA 17 1HB ALA 17 -5.979 2.473 4.202
141 2HB ALA 17 2HB ALA 17 -5.096 2.727 5.708
142 3HB ALA 17 3HB ALA 17 -6.232 3.949 5.134
143 H LYS 18 H LYS 18 -8.949 1.254 4.449
144 HA LYS 18 HA LYS 18 -10.545 3.704 4.302
145 1HB LYS 18 2HB LYS 18 -9.969 1.855 2.425
146 2HB LYS 18 1HB LYS 18 -11.488 1.190 3.022
147 1HG LYS 18 2HG LYS 18 -11.118 4.067 2.134
148 2HG LYS 18 1HG LYS 18 -11.790 2.791 1.119
149 1HD LYS 18 2HD LYS 18 -13.506 2.400 2.972
150 2HD LYS 18 1HD LYS 18 -12.937 3.909 3.685
151 1HE LYS 18 2HE LYS 18 -13.515 5.134 1.656
152 2HE LYS 18 1HE LYS 18 -13.987 3.636 0.855
153 1HZ LYS 18 1HZ LYS 18 -15.802 5.064 1.919
154 2HZ LYS 18 2HZ LYS 18 -15.237 4.455 3.400
155 3HZ LYS 18 3HZ LYS 18 -15.833 3.395 2.215
156 H ALA 19 H ALA 19 -10.967 0.309 5.281
157 HA ALA 19 HA ALA 19 -13.616 0.678 6.282
158 1HB ALA 19 1HB ALA 19 -12.699 -1.515 5.541
159 2HB ALA 19 2HB ALA 19 -13.383 -1.570 7.165
160 3HB ALA 19 3HB ALA 19 -11.633 -1.509 6.944
161 H GLY 20 H GLY 20 -10.436 0.345 7.875
162 1HA GLY 20 2HA GLY 20 -11.581 0.932 10.476
163 2HA GLY 20 1HA GLY 20 -9.884 0.632 10.122
164 H VAL 21 H VAL 21 -8.687 2.393 9.021
165 HA VAL 21 HA VAL 21 -9.608 5.008 8.721
166 HB VAL 21 HB VAL 21 -10.073 5.232 11.027
167 1HG1 VAL 21 1HG1 VAL 21 -7.456 3.776 11.488
168 2HG1 VAL 21 2HG1 VAL 21 -9.077 3.218 11.897
169 3HG1 VAL 21 3HG1 VAL 21 -8.363 4.571 12.772
170 1HG2 VAL 21 1HG2 VAL 21 -7.223 6.203 11.005
171 2HG2 VAL 21 2HG2 VAL 21 -8.655 6.984 11.674
172 3HG2 VAL 21 3HG2 VAL 21 -8.413 6.934 9.928
173 H ILE 22 H ILE 22 -6.908 3.102 9.952
174 HA ILE 22 HA ILE 22 -4.937 2.803 8.536
175 HB ILE 22 HB ILE 22 -5.592 4.819 7.096
176 1HG1 ILE 22 2HG1 ILE 22 -2.692 4.902 7.897
177 2HG1 ILE 22 1HG1 ILE 22 -3.364 3.451 7.154
178 1HG2 ILE 22 1HG2 ILE 22 -5.213 6.957 7.824
179 2HG2 ILE 22 2HG2 ILE 22 -3.766 6.498 8.721
180 3HG2 ILE 22 3HG2 ILE 22 -5.360 6.238 9.427
181 1HD1 ILE 22 1HD1 ILE 22 -3.545 6.236 5.975
182 2HD1 ILE 22 2HD1 ILE 22 -4.116 4.747 5.224
183 3HD1 ILE 22 3HD1 ILE 22 -2.389 5.001 5.472
184 H THR 23 H THR 23 -2.687 3.419 9.157
185 HA THR 23 HA THR 23 -2.468 4.637 11.824
186 HB THR 23 HB THR 23 -1.051 2.745 12.585
187 HG1 THR 23 HG1 THR 23 -2.008 1.542 10.201
188 1HG2 THR 23 1HG2 THR 23 -2.859 1.281 13.131
189 2HG2 THR 23 2HG2 THR 23 -3.758 1.739 11.686
190 3HG2 THR 23 3HG2 THR 23 -3.563 2.893 13.004
191 H GLU 24 H GLU 24 -0.341 5.351 12.332
192 HA GLU 24 HA GLU 24 1.090 6.591 10.324
193 1HB GLU 24 2HB GLU 24 1.297 6.891 12.864
194 2HB GLU 24 1HB GLU 24 2.414 5.528 12.820
195 1HG GLU 24 2HG GLU 24 3.844 7.382 12.600
196 2HG GLU 24 1HG GLU 24 3.619 6.852 10.936
197 H GLU 25 H GLU 25 1.593 3.374 11.711
198 HA GLU 25 HA GLU 25 3.966 2.706 10.350
199 1HB GLU 25 2HB GLU 25 1.754 0.809 11.178
200 2HB GLU 25 1HB GLU 25 3.452 0.409 10.921
201 1HG GLU 25 2HG GLU 25 2.479 2.391 13.003
202 2HG GLU 25 1HG GLU 25 2.825 0.697 13.345
203 H GLU 26 H GLU 26 0.561 2.034 9.521
204 HA GLU 26 HA GLU 26 1.071 0.709 7.079
205 1HB GLU 26 2HB GLU 26 -1.320 2.154 8.204
206 2HB GLU 26 1HB GLU 26 -1.339 1.503 6.565
207 1HG GLU 26 2HG GLU 26 -0.734 -0.732 7.461
208 2HG GLU 26 1HG GLU 26 -0.776 -0.073 9.095
209 H LYS 27 H LYS 27 0.547 4.112 7.872
210 HA LYS 27 HA LYS 27 0.268 5.211 5.346
211 1HB LYS 27 2HB LYS 27 0.177 6.376 7.630
212 2HB LYS 27 1HB LYS 27 1.932 6.501 7.511
213 1HG LYS 27 2HG LYS 27 1.326 8.508 6.521
214 2HG LYS 27 1HG LYS 27 1.361 7.464 5.099
215 1HD LYS 27 2HD LYS 27 -0.720 8.508 4.877
216 2HD LYS 27 1HD LYS 27 -1.152 7.008 5.697
217 1HE LYS 27 2HE LYS 27 -0.736 8.412 7.883
218 2HE LYS 27 1HE LYS 27 -0.986 9.791 6.813
219 1HZ LYS 27 1HZ LYS 27 -2.862 7.582 7.413
220 2HZ LYS 27 2HZ LYS 27 -3.071 8.607 6.074
221 3HZ LYS 27 3HZ LYS 27 -3.091 9.246 7.648
222 H ALA 28 H ALA 28 3.296 4.620 7.134
223 HA ALA 28 HA ALA 28 5.046 5.512 5.107
224 1HB ALA 28 1HB ALA 28 6.768 4.210 6.338
225 2HB ALA 28 2HB ALA 28 5.490 3.495 7.322
226 3HB ALA 28 3HB ALA 28 5.801 5.230 7.404
227 H GLU 29 H GLU 29 3.831 2.270 5.911
228 HA GLU 29 HA GLU 29 5.269 0.808 4.016
229 1HB GLU 29 2HB GLU 29 3.984 -0.249 5.817
230 2HB GLU 29 1HB GLU 29 2.478 0.282 5.069
231 1HG GLU 29 2HG GLU 29 2.941 -2.055 4.473
232 2HG GLU 29 1HG GLU 29 3.035 -1.034 3.040
233 H GLN 30 H GLN 30 1.952 2.102 3.732
234 HA GLN 30 HA GLN 30 1.346 1.345 1.161
235 1HB GLN 30 2HB GLN 30 0.696 4.018 2.425
236 2HB GLN 30 1HB GLN 30 -0.152 3.282 1.067
237 1HG GLN 30 2HG GLN 30 0.000 1.386 3.236
238 2HG GLN 30 1HG GLN 30 -0.665 2.904 3.832
239 1HE2 GLN 30 1HE2 GLN 30 -1.024 0.911 0.827
240 2HE2 GLN 30 2HE2 GLN 30 -2.718 1.028 0.792
241 H GLN 31 H GLN 31 3.029 4.335 2.131
242 HA GLN 31 HA GLN 31 3.466 5.355 -0.448
243 1HB GLN 31 2HB GLN 31 3.803 6.558 1.757
244 2HB GLN 31 1HB GLN 31 5.332 5.696 1.906
245 1HG GLN 31 2HG GLN 31 5.851 7.810 0.906
246 2HG GLN 31 1HG GLN 31 5.946 6.618 -0.387
247 1HE2 GLN 31 1HE2 GLN 31 3.030 8.152 1.066
248 2HE2 GLN 31 2HE2 GLN 31 2.482 8.830 -0.391
249 H LYS 32 H LYS 32 5.313 3.069 1.500
250 HA LYS 32 HA LYS 32 7.648 2.922 -0.048
251 1HB LYS 32 2HB LYS 32 6.954 1.833 2.271
252 2HB LYS 32 1HB LYS 32 6.557 0.456 1.246
253 1HG LYS 32 2HG LYS 32 8.802 0.363 0.373
254 2HG LYS 32 1HG LYS 32 9.227 1.886 1.154
255 1HD LYS 32 2HD LYS 32 8.217 -0.368 2.858
256 2HD LYS 32 1HD LYS 32 9.881 -0.429 2.274
257 1HE LYS 32 2HE LYS 32 10.425 1.654 3.330
258 2HE LYS 32 1HE LYS 32 8.730 1.997 3.676
259 1HZ LYS 32 1HZ LYS 32 10.598 0.325 5.101
260 2HZ LYS 32 2HZ LYS 32 9.082 -0.400 4.844
261 3HZ LYS 32 3HZ LYS 32 9.188 1.092 5.652
262 H LEU 33 H LEU 33 4.839 0.714 -0.099
263 HA LEU 33 HA LEU 33 5.609 -0.798 -2.319
264 1HB LEU 33 2HB LEU 33 2.748 -0.116 -1.618
265 2HB LEU 33 1HB LEU 33 3.349 -1.572 -2.410
266 HG LEU 33 HG LEU 33 3.796 -0.727 0.465
267 1HD1 LEU 33 1HD1 LEU 33 2.434 -3.089 -0.853
268 2HD1 LEU 33 2HD1 LEU 33 1.670 -1.822 0.105
269 3HD1 LEU 33 3HD1 LEU 33 2.754 -2.979 0.878
270 1HD2 LEU 33 1HD2 LEU 33 5.013 -3.023 0.515
271 2HD2 LEU 33 2HD2 LEU 33 5.888 -1.642 -0.147
272 3HD2 LEU 33 3HD2 LEU 33 5.153 -2.824 -1.233
273 H ARG 34 H ARG 34 3.869 2.268 -2.125
274 HA ARG 34 HA ARG 34 3.121 2.426 -4.859
275 1HB ARG 34 2HB ARG 34 3.342 4.370 -2.595
276 2HB ARG 34 1HB ARG 34 3.166 4.995 -4.234
277 1HG ARG 34 2HG ARG 34 1.333 2.779 -3.458
278 2HG ARG 34 1HG ARG 34 1.046 4.342 -2.696
279 1HD ARG 34 2HD ARG 34 1.408 4.048 -5.685
280 2HD ARG 34 1HD ARG 34 -0.169 3.920 -4.912
281 HE ARG 34 HE ARG 34 1.117 6.305 -4.066
282 1HH1 ARG 34 1HH2 ARG 34 -0.382 4.839 -6.833
283 2HH1 ARG 34 2HH2 ARG 34 -0.927 6.342 -7.498
284 1HH2 ARG 34 1HH1 ARG 34 0.413 8.268 -4.949
285 2HH2 ARG 34 2HH1 ARG 34 -0.467 8.279 -6.440
286 H GLN 35 H GLN 35 5.982 3.503 -3.071
287 HA GLN 35 HA GLN 35 7.201 4.988 -5.133
288 1HB GLN 35 2HB GLN 35 7.923 5.007 -2.744
289 2HB GLN 35 1HB GLN 35 8.566 3.381 -2.954
290 1HG GLN 35 2HG GLN 35 9.412 5.638 -4.771
291 2HG GLN 35 1HG GLN 35 10.203 5.373 -3.220
292 1HE2 GLN 35 1HE2 GLN 35 10.085 2.461 -3.236
293 2HE2 GLN 35 2HE2 GLN 35 11.128 1.922 -4.459
294 H GLU 36 H GLU 36 7.610 1.588 -4.161
295 HA GLU 36 HA GLU 36 9.410 0.887 -6.237
296 1HB GLU 36 2HB GLU 36 9.038 -0.418 -4.126
297 2HB GLU 36 1HB GLU 36 7.481 -0.929 -4.774
298 1HG GLU 36 2HG GLU 36 8.782 -1.764 -6.824
299 2HG GLU 36 1HG GLU 36 10.237 -1.540 -5.856
300 H TYR 37 H TYR 37 5.895 0.840 -5.957
301 HA TYR 37 HA TYR 37 5.186 -0.641 -8.193
302 1HB TYR 37 2HB TYR 37 3.601 0.261 -6.489
303 2HB TYR 37 1HB TYR 37 3.797 1.862 -7.200
304 HD1 TYR 37 HD1 TYR 37 3.093 -1.658 -8.326
305 HD2 TYR 37 HD2 TYR 37 2.216 2.523 -8.773
306 HE1 TYR 37 HE1 TYR 37 1.371 -2.200 -10.025
307 HE2 TYR 37 HE2 TYR 37 0.494 1.980 -10.471
308 HH TYR 37 HH TYR 37 -0.105 0.226 -11.986
309 H LEU 38 H LEU 38 5.638 2.901 -8.024
310 HA LEU 38 HA LEU 38 5.303 3.399 -10.772
311 1HB LEU 38 2HB LEU 38 6.399 4.863 -8.443
312 2HB LEU 38 1HB LEU 38 7.003 5.386 -10.014
313 HG LEU 38 HG LEU 38 4.927 6.600 -9.263
314 1HD1 LEU 38 1HD1 LEU 38 5.644 5.722 -11.767
315 2HD1 LEU 38 2HD1 LEU 38 4.344 6.864 -11.438
316 3HD1 LEU 38 3HD1 LEU 38 3.980 5.151 -11.646
317 1HD2 LEU 38 1HD2 LEU 38 2.883 5.505 -8.987
318 2HD2 LEU 38 2HD2 LEU 38 4.000 4.326 -8.303
319 3HD2 LEU 38 3HD2 LEU 38 3.384 4.111 -9.943
320 H LYS 39 H LYS 39 8.171 2.546 -8.883
321 HA LYS 39 HA LYS 39 10.074 2.936 -10.954
322 1HB LYS 39 2HB LYS 39 10.461 2.599 -8.415
323 2HB LYS 39 1HB LYS 39 10.372 0.875 -8.776
324 1HG LYS 39 2HG LYS 39 12.196 1.083 -10.393
325 2HG LYS 39 1HG LYS 39 12.252 2.828 -10.142
326 1HD LYS 39 2HD LYS 39 13.071 2.598 -7.927
327 2HD LYS 39 1HD LYS 39 12.623 0.893 -7.851
328 1HE LYS 39 2HE LYS 39 15.115 1.416 -8.218
329 2HE LYS 39 1HE LYS 39 14.378 0.250 -9.315
330 1HZ LYS 39 1HZ LYS 39 14.265 3.062 -10.086
331 2HZ LYS 39 2HZ LYS 39 14.468 1.679 -11.051
332 3HZ LYS 39 3HZ LYS 39 15.780 2.308 -10.171
333 H GLY 40 H GLY 40 7.991 0.251 -10.051
334 1HA GLY 40 2HA GLY 40 9.216 -1.613 -11.901
335 2HA GLY 40 1HA GLY 40 7.763 -1.887 -10.943
336 H PHE 41 H PHE 41 7.469 1.060 -12.443
337 HA PHE 41 HA PHE 41 6.735 0.362 -15.091
338 1HB PHE 41 2HB PHE 41 4.911 -0.753 -13.577
339 2HB PHE 41 1HB PHE 41 4.303 0.891 -13.405
340 HD1 PHE 41 HD1 PHE 41 3.145 1.981 -15.184
341 HD2 PHE 41 HD2 PHE 41 5.167 -1.745 -15.887
342 HE1 PHE 41 HE1 PHE 41 2.078 1.820 -17.417
343 HE2 PHE 41 HE2 PHE 41 4.100 -1.904 -18.119
344 HZ PHE 41 HZ PHE 41 2.557 -0.120 -18.886
345 H ARG 42 H ARG 42 7.753 2.257 -15.634
346 HA ARG 42 HA ARG 42 6.901 4.777 -14.432
347 1HB ARG 42 2HB ARG 42 8.774 4.610 -16.764
348 2HB ARG 42 1HB ARG 42 8.776 5.732 -15.404
349 1HG ARG 42 2HG ARG 42 9.409 3.821 -13.901
350 2HG ARG 42 1HG ARG 42 9.556 2.802 -15.334
351 1HD ARG 42 2HD ARG 42 11.190 5.251 -14.635
352 2HD ARG 42 1HD ARG 42 11.761 3.598 -14.845
353 HE ARG 42 HE ARG 42 10.555 4.395 -17.252
354 1HH1 ARG 42 1HH2 ARG 42 13.270 5.192 -15.248
355 2HH1 ARG 42 2HH2 ARG 42 14.248 5.750 -16.565
356 1HH2 ARG 42 1HH1 ARG 42 11.827 5.143 -18.971
357 2HH2 ARG 42 2HH1 ARG 42 13.428 5.732 -18.668
Start of MODEL 17
1 1H MET 1 1HT MET 1 3.459 -10.290 -16.282
2 2H MET 1 2HT MET 1 2.629 -8.808 -16.281
3 3H MET 1 3HT MET 1 2.114 -10.074 -15.273
4 HA MET 1 HA MET 1 4.291 -9.955 -14.114
5 1HB MET 1 2HB MET 1 5.180 -7.433 -14.500
6 2HB MET 1 1HB MET 1 5.817 -8.815 -15.386
7 1HG MET 1 2HG MET 1 3.464 -7.209 -16.398
8 2HG MET 1 1HG MET 1 5.129 -6.784 -16.789
9 1HE MET 1 1HE MET 1 4.907 -6.936 -19.204
10 2HE MET 1 2HE MET 1 5.382 -8.433 -20.004
11 3HE MET 1 3HE MET 1 6.405 -7.756 -18.739
12 H ILE 2 H ILE 2 1.317 -9.098 -14.332
13 HA ILE 2 HA ILE 2 1.362 -7.298 -11.981
14 HB ILE 2 HB ILE 2 -0.771 -7.323 -14.129
15 1HG1 ILE 2 2HG1 ILE 2 1.506 -5.359 -13.680
16 2HG1 ILE 2 1HG1 ILE 2 1.376 -6.482 -15.033
17 1HG2 ILE 2 1HG2 ILE 2 -1.441 -6.598 -11.829
18 2HG2 ILE 2 2HG2 ILE 2 -1.533 -5.287 -13.005
19 3HG2 ILE 2 3HG2 ILE 2 -0.177 -5.370 -11.881
20 1HD1 ILE 2 1HD1 ILE 2 -0.391 -4.113 -14.406
21 2HD1 ILE 2 2HD1 ILE 2 -0.889 -5.382 -15.526
22 3HD1 ILE 2 3HD1 ILE 2 0.548 -4.417 -15.868
23 H SER 3 H SER 3 -0.592 -9.646 -13.809
24 HA SER 3 HA SER 3 -2.186 -11.163 -13.147
25 1HB SER 3 2HB SER 3 -1.456 -12.690 -11.439
26 2HB SER 3 1HB SER 3 -0.034 -12.175 -12.337
27 HG SER 3 HG SER 3 -0.799 -10.662 -10.122
28 H ASN 4 H ASN 4 -2.375 -8.324 -12.077
29 HA ASN 4 HA ASN 4 -3.698 -7.102 -10.654
30 1HB ASN 4 2HB ASN 4 -5.315 -9.657 -10.490
31 2HB ASN 4 1HB ASN 4 -5.886 -8.023 -10.168
32 1HD2 ASN 4 1HD2 ASN 4 -3.797 -7.640 -12.721
33 2HD2 ASN 4 2HD2 ASN 4 -4.890 -7.816 -14.008
34 H ALA 5 H ALA 5 -1.567 -9.052 -9.581
35 HA ALA 5 HA ALA 5 -2.474 -9.778 -6.948
36 1HB ALA 5 1HB ALA 5 -0.052 -10.302 -6.577
37 2HB ALA 5 2HB ALA 5 0.279 -9.691 -8.199
38 3HB ALA 5 3HB ALA 5 -0.748 -11.108 -7.981
39 H LYS 6 H LYS 6 -0.699 -7.086 -8.374
40 HA LYS 6 HA LYS 6 0.187 -5.930 -5.928
41 1HB LYS 6 2HB LYS 6 1.295 -5.215 -7.906
42 2HB LYS 6 1HB LYS 6 -0.225 -4.820 -8.708
43 1HG LYS 6 2HG LYS 6 -0.595 -2.932 -7.288
44 2HG LYS 6 1HG LYS 6 0.682 -3.427 -6.178
45 1HD LYS 6 2HD LYS 6 2.394 -2.877 -7.733
46 2HD LYS 6 1HD LYS 6 1.250 -2.777 -9.074
47 1HE LYS 6 2HE LYS 6 0.892 -0.958 -6.713
48 2HE LYS 6 1HE LYS 6 2.114 -0.567 -7.922
49 1HZ LYS 6 1HZ LYS 6 -0.773 -1.036 -8.432
50 2HZ LYS 6 2HZ LYS 6 0.395 -0.746 -9.633
51 3HZ LYS 6 3HZ LYS 6 0.028 0.458 -8.493
52 H ILE 7 H ILE 7 -2.534 -5.137 -8.085
53 HA ILE 7 HA ILE 7 -3.681 -3.120 -6.531
54 HB ILE 7 HB ILE 7 -4.878 -5.091 -8.484
55 1HG1 ILE 7 2HG1 ILE 7 -5.152 -2.845 -9.739
56 2HG1 ILE 7 1HG1 ILE 7 -4.048 -2.183 -8.536
57 1HG2 ILE 7 1HG2 ILE 7 -6.766 -4.598 -7.174
58 2HG2 ILE 7 2HG2 ILE 7 -6.823 -3.342 -8.411
59 3HG2 ILE 7 3HG2 ILE 7 -6.201 -2.968 -6.804
60 1HD1 ILE 7 1HD1 ILE 7 -3.050 -3.116 -10.755
61 2HD1 ILE 7 2HD1 ILE 7 -3.336 -4.699 -10.032
62 3HD1 ILE 7 3HD1 ILE 7 -2.265 -3.545 -9.235
63 H ALA 8 H ALA 8 -4.481 -6.597 -6.600
64 HA ALA 8 HA ALA 8 -6.437 -6.619 -4.626
65 1HB ALA 8 1HB ALA 8 -4.381 -8.743 -5.268
66 2HB ALA 8 2HB ALA 8 -5.964 -8.562 -6.020
67 3HB ALA 8 3HB ALA 8 -5.845 -9.003 -4.318
68 H ARG 9 H ARG 9 -2.911 -6.963 -4.255
69 HA ARG 9 HA ARG 9 -2.887 -7.432 -1.482
70 1HB ARG 9 2HB ARG 9 -0.920 -7.787 -2.917
71 2HB ARG 9 1HB ARG 9 -0.790 -6.048 -3.175
72 1HG ARG 9 2HG ARG 9 -0.451 -5.696 -0.764
73 2HG ARG 9 1HG ARG 9 -0.628 -7.427 -0.475
74 1HD ARG 9 2HD ARG 9 1.313 -7.669 -2.201
75 2HD ARG 9 1HD ARG 9 1.606 -5.964 -1.864
76 HE ARG 9 HE ARG 9 1.389 -7.606 0.512
77 1HH1 ARG 9 1HH2 ARG 9 3.462 -6.373 -1.980
78 2HH1 ARG 9 2HH2 ARG 9 4.908 -6.542 -1.043
79 1HH2 ARG 9 1HH1 ARG 9 3.283 -7.824 1.735
80 2HH2 ARG 9 2HH1 ARG 9 4.809 -7.365 1.055
81 H ILE 10 H ILE 10 -1.728 -4.401 -2.932
82 HA ILE 10 HA ILE 10 -1.886 -2.817 -0.687
83 HB ILE 10 HB ILE 10 -2.384 -1.945 -3.546
84 1HG1 ILE 10 2HG1 ILE 10 0.220 -1.896 -1.996
85 2HG1 ILE 10 1HG1 ILE 10 -0.241 -3.268 -3.002
86 1HG2 ILE 10 1HG2 ILE 10 -1.394 0.218 -2.642
87 2HG2 ILE 10 2HG2 ILE 10 -1.601 -0.454 -1.024
88 3HG2 ILE 10 3HG2 ILE 10 -3.008 -0.167 -2.050
89 1HD1 ILE 10 1HD1 ILE 10 -0.569 -1.597 -4.904
90 2HD1 ILE 10 2HD1 ILE 10 1.098 -1.858 -4.392
91 3HD1 ILE 10 3HD1 ILE 10 0.231 -0.411 -3.877
92 H ASN 11 H ASN 11 -4.477 -3.545 -3.004
93 HA ASN 11 HA ASN 11 -6.380 -1.697 -2.066
94 1HB ASN 11 2HB ASN 11 -6.748 -2.872 -4.147
95 2HB ASN 11 1HB ASN 11 -6.763 -4.428 -3.317
96 1HD2 ASN 11 1HD2 ASN 11 -8.826 -5.190 -2.845
97 2HD2 ASN 11 2HD2 ASN 11 -10.202 -4.216 -2.649
98 H GLU 12 H GLU 12 -5.996 -5.150 -1.223
99 HA GLU 12 HA GLU 12 -7.995 -5.249 0.736
100 1HB GLU 12 2HB GLU 12 -6.673 -7.185 -0.329
101 2HB GLU 12 1HB GLU 12 -5.452 -6.858 0.903
102 1HG GLU 12 2HG GLU 12 -7.235 -7.085 2.654
103 2HG GLU 12 1HG GLU 12 -8.365 -7.555 1.389
104 H LEU 13 H LEU 13 -4.478 -4.758 1.152
105 HA LEU 13 HA LEU 13 -4.530 -4.384 3.938
106 1HB LEU 13 2HB LEU 13 -2.533 -4.640 2.220
107 2HB LEU 13 1HB LEU 13 -2.562 -2.878 2.261
108 HG LEU 13 HG LEU 13 -2.385 -4.656 4.715
109 1HD1 LEU 13 1HD1 LEU 13 -0.269 -3.068 3.232
110 2HD1 LEU 13 2HD1 LEU 13 -0.331 -4.820 3.420
111 3HD1 LEU 13 3HD1 LEU 13 -0.036 -3.792 4.822
112 1HD2 LEU 13 1HD2 LEU 13 -2.515 -1.692 4.246
113 2HD2 LEU 13 2HD2 LEU 13 -1.565 -2.300 5.601
114 3HD2 LEU 13 3HD2 LEU 13 -3.289 -2.657 5.502
115 H ALA 14 H ALA 14 -4.439 -1.925 1.344
116 HA ALA 14 HA ALA 14 -4.614 0.349 2.932
117 1HB ALA 14 1HB ALA 14 -4.185 0.452 0.525
118 2HB ALA 14 2HB ALA 14 -5.564 1.467 0.946
119 3HB ALA 14 3HB ALA 14 -5.823 -0.107 0.193
120 H ALA 15 H ALA 15 -7.332 -1.329 1.331
121 HA ALA 15 HA ALA 15 -9.381 0.172 2.551
122 1HB ALA 15 1HB ALA 15 -10.861 -1.682 1.850
123 2HB ALA 15 2HB ALA 15 -9.440 -2.654 1.469
124 3HB ALA 15 3HB ALA 15 -9.771 -1.181 0.558
125 H LYS 16 H LYS 16 -7.729 -2.783 3.539
126 HA LYS 16 HA LYS 16 -9.411 -3.497 5.689
127 1HB LYS 16 2HB LYS 16 -7.808 -5.101 4.904
128 2HB LYS 16 1HB LYS 16 -6.467 -3.994 5.196
129 1HG LYS 16 2HG LYS 16 -6.666 -4.191 7.548
130 2HG LYS 16 1HG LYS 16 -8.286 -4.878 7.436
131 1HD LYS 16 2HD LYS 16 -6.604 -6.615 7.974
132 2HD LYS 16 1HD LYS 16 -7.371 -6.920 6.417
133 1HE LYS 16 2HE LYS 16 -4.835 -7.176 6.462
134 2HE LYS 16 1HE LYS 16 -5.467 -6.103 5.215
135 1HZ LYS 16 1HZ LYS 16 -3.540 -5.440 6.954
136 2HZ LYS 16 2HZ LYS 16 -4.909 -4.828 7.748
137 3HZ LYS 16 3HZ LYS 16 -4.541 -4.318 6.170
138 H ALA 17 H ALA 17 -6.221 -1.909 5.816
139 HA ALA 17 HA ALA 17 -6.364 -1.099 8.497
140 1HB ALA 17 1HB ALA 17 -4.931 0.438 6.325
141 2HB ALA 17 2HB ALA 17 -4.325 -1.094 6.960
142 3HB ALA 17 3HB ALA 17 -4.496 0.297 8.032
143 H LYS 18 H LYS 18 -7.999 0.094 5.704
144 HA LYS 18 HA LYS 18 -8.437 2.762 6.715
145 1HB LYS 18 2HB LYS 18 -8.533 2.097 4.270
146 2HB LYS 18 1HB LYS 18 -10.087 1.341 4.620
147 1HG LYS 18 2HG LYS 18 -10.984 3.475 5.413
148 2HG LYS 18 1HG LYS 18 -9.417 4.247 5.173
149 1HD LYS 18 2HD LYS 18 -9.542 3.880 2.774
150 2HD LYS 18 1HD LYS 18 -11.027 2.946 2.959
151 1HE LYS 18 2HE LYS 18 -12.303 4.835 3.512
152 2HE LYS 18 1HE LYS 18 -10.887 5.772 3.987
153 1HZ LYS 18 1HZ LYS 18 -10.362 6.248 1.835
154 2HZ LYS 18 2HZ LYS 18 -12.053 6.158 1.696
155 3HZ LYS 18 3HZ LYS 18 -11.086 4.847 1.214
156 H ALA 19 H ALA 19 -10.722 0.065 6.144
157 HA ALA 19 HA ALA 19 -12.695 1.198 7.900
158 1HB ALA 19 1HB ALA 19 -13.837 -1.027 7.553
159 2HB ALA 19 2HB ALA 19 -12.454 -1.509 6.570
160 3HB ALA 19 3HB ALA 19 -13.464 -0.153 6.067
161 H GLY 20 H GLY 20 -9.835 -0.412 8.464
162 1HA GLY 20 2HA GLY 20 -10.758 -1.711 10.943
163 2HA GLY 20 1HA GLY 20 -9.200 -1.969 10.159
164 H VAL 21 H VAL 21 -7.783 0.021 10.033
165 HA VAL 21 HA VAL 21 -8.116 2.194 11.807
166 HB VAL 21 HB VAL 21 -7.853 0.720 13.645
167 1HG1 VAL 21 1HG1 VAL 21 -5.395 -0.483 12.352
168 2HG1 VAL 21 2HG1 VAL 21 -7.001 -1.186 12.178
169 3HG1 VAL 21 3HG1 VAL 21 -6.263 -1.058 13.773
170 1HG2 VAL 21 1HG2 VAL 21 -4.997 1.567 13.194
171 2HG2 VAL 21 2HG2 VAL 21 -5.929 1.576 14.691
172 3HG2 VAL 21 3HG2 VAL 21 -6.261 2.774 13.439
173 H ILE 22 H ILE 22 -7.261 3.486 10.254
174 HA ILE 22 HA ILE 22 -4.699 2.795 9.022
175 HB ILE 22 HB ILE 22 -6.636 3.688 7.676
176 1HG1 ILE 22 2HG1 ILE 22 -5.065 5.602 6.658
177 2HG1 ILE 22 1HG1 ILE 22 -3.881 4.854 7.730
178 1HG2 ILE 22 1HG2 ILE 22 -5.904 6.359 8.886
179 2HG2 ILE 22 2HG2 ILE 22 -7.249 5.392 9.491
180 3HG2 ILE 22 3HG2 ILE 22 -7.261 5.978 7.828
181 1HD1 ILE 22 1HD1 ILE 22 -5.529 3.398 5.641
182 2HD1 ILE 22 2HD1 ILE 22 -4.339 2.656 6.710
183 3HD1 ILE 22 3HD1 ILE 22 -3.822 3.818 5.490
184 H THR 23 H THR 23 -2.813 3.783 9.421
185 HA THR 23 HA THR 23 -2.770 6.189 11.114
186 HB THR 23 HB THR 23 -1.213 5.285 12.655
187 HG1 THR 23 HG1 THR 23 -1.082 2.783 11.479
188 1HG2 THR 23 1HG2 THR 23 -2.423 3.516 13.688
189 2HG2 THR 23 2HG2 THR 23 -3.055 2.945 12.145
190 3HG2 THR 23 3HG2 THR 23 -3.634 4.465 12.827
191 H GLU 24 H GLU 24 -0.656 7.271 11.066
192 HA GLU 24 HA GLU 24 0.300 7.754 8.513
193 1HB GLU 24 2HB GLU 24 1.617 8.093 11.210
194 2HB GLU 24 1HB GLU 24 2.359 8.657 9.711
195 1HG GLU 24 2HG GLU 24 0.565 10.164 9.272
196 2HG GLU 24 1HG GLU 24 -0.459 9.418 10.497
197 H GLU 25 H GLU 25 1.340 5.352 10.861
198 HA GLU 25 HA GLU 25 3.732 4.514 9.650
199 1HB GLU 25 2HB GLU 25 2.680 3.874 11.948
200 2HB GLU 25 1HB GLU 25 1.874 2.598 11.039
201 1HG GLU 25 2HG GLU 25 4.869 3.061 11.001
202 2HG GLU 25 1HG GLU 25 4.070 1.899 12.057
203 H GLU 26 H GLU 26 0.402 3.323 9.248
204 HA GLU 26 HA GLU 26 0.980 1.276 7.402
205 1HB GLU 26 2HB GLU 26 -1.571 2.901 7.565
206 2HB GLU 26 1HB GLU 26 -1.388 1.278 6.899
207 1HG GLU 26 2HG GLU 26 -0.882 2.048 9.790
208 2HG GLU 26 1HG GLU 26 -2.323 1.225 9.196
209 H LYS 27 H LYS 27 -0.229 4.583 6.837
210 HA LYS 27 HA LYS 27 -0.270 4.569 4.067
211 1HB LYS 27 2HB LYS 27 0.214 6.739 6.093
212 2HB LYS 27 1HB LYS 27 0.232 7.086 4.365
213 1HG LYS 27 2HG LYS 27 -2.030 6.027 4.178
214 2HG LYS 27 1HG LYS 27 -2.053 5.859 5.934
215 1HD LYS 27 2HD LYS 27 -1.405 8.563 4.879
216 2HD LYS 27 1HD LYS 27 -3.067 8.018 4.663
217 1HE LYS 27 2HE LYS 27 -3.456 7.854 6.961
218 2HE LYS 27 1HE LYS 27 -1.741 7.693 7.339
219 1HZ LYS 27 1HZ LYS 27 -1.515 9.882 7.484
220 2HZ LYS 27 2HZ LYS 27 -3.209 9.987 7.467
221 3HZ LYS 27 3HZ LYS 27 -2.332 10.155 6.023
222 H ALA 28 H ALA 28 2.449 5.109 6.259
223 HA ALA 28 HA ALA 28 4.344 5.991 4.374
224 1HB ALA 28 1HB ALA 28 5.075 4.235 6.707
225 2HB ALA 28 2HB ALA 28 4.491 5.877 6.967
226 3HB ALA 28 3HB ALA 28 5.958 5.603 6.030
227 H GLU 29 H GLU 29 3.640 2.719 5.584
228 HA GLU 29 HA GLU 29 5.519 1.310 4.067
229 1HB GLU 29 2HB GLU 29 4.122 0.412 5.965
230 2HB GLU 29 1HB GLU 29 2.771 0.309 4.838
231 1HG GLU 29 2HG GLU 29 4.250 -1.104 3.343
232 2HG GLU 29 1HG GLU 29 5.425 -1.142 4.656
233 H GLN 30 H GLN 30 2.043 1.765 3.360
234 HA GLN 30 HA GLN 30 1.939 0.573 0.869
235 1HB GLN 30 2HB GLN 30 0.429 3.115 1.447
236 2HB GLN 30 1HB GLN 30 -0.086 1.718 0.503
237 1HG GLN 30 2HG GLN 30 0.368 0.521 2.897
238 2HG GLN 30 1HG GLN 30 -0.107 2.130 3.440
239 1HE2 GLN 30 1HE2 GLN 30 -1.226 -0.687 1.554
240 2HE2 GLN 30 2HE2 GLN 30 -2.872 -0.284 1.635
241 H GLN 31 H GLN 31 2.788 3.940 1.629
242 HA GLN 31 HA GLN 31 3.078 4.896 -0.987
243 1HB GLN 31 2HB GLN 31 3.081 6.299 1.074
244 2HB GLN 31 1HB GLN 31 4.704 5.708 1.434
245 1HG GLN 31 2HG GLN 31 5.481 6.591 -0.762
246 2HG GLN 31 1HG GLN 31 3.870 7.247 -1.044
247 1HE2 GLN 31 1HE2 GLN 31 3.802 7.792 2.051
248 2HE2 GLN 31 2HE2 GLN 31 4.671 9.243 2.194
249 H LYS 32 H LYS 32 5.330 3.134 1.088
250 HA LYS 32 HA LYS 32 7.654 3.426 -0.469
251 1HB LYS 32 2HB LYS 32 7.508 2.473 1.869
252 2HB LYS 32 1HB LYS 32 6.912 0.978 1.147
253 1HG LYS 32 2HG LYS 32 8.953 0.706 -0.131
254 2HG LYS 32 1HG LYS 32 9.534 2.293 0.378
255 1HD LYS 32 2HD LYS 32 9.775 1.577 2.652
256 2HD LYS 32 1HD LYS 32 8.899 0.077 2.340
257 1HE LYS 32 2HE LYS 32 10.717 -0.607 0.764
258 2HE LYS 32 1HE LYS 32 11.609 0.849 1.211
259 1HZ LYS 32 1HZ LYS 32 10.784 -0.485 3.543
260 2HZ LYS 32 2HZ LYS 32 12.364 -0.177 2.999
261 3HZ LYS 32 3HZ LYS 32 11.563 -1.601 2.532
262 H LEU 33 H LEU 33 5.211 0.827 -0.461
263 HA LEU 33 HA LEU 33 6.289 -0.746 -2.498
264 1HB LEU 33 2HB LEU 33 3.404 -0.288 -1.714
265 2HB LEU 33 1HB LEU 33 3.931 -1.540 -2.838
266 HG LEU 33 HG LEU 33 4.931 -1.261 0.013
267 1HD1 LEU 33 1HD1 LEU 33 3.058 -3.365 -1.092
268 2HD1 LEU 33 2HD1 LEU 33 2.474 -1.898 -0.307
269 3HD1 LEU 33 3HD1 LEU 33 3.460 -3.048 0.596
270 1HD2 LEU 33 1HD2 LEU 33 5.479 -3.147 -2.268
271 2HD2 LEU 33 2HD2 LEU 33 5.551 -3.757 -0.613
272 3HD2 LEU 33 3HD2 LEU 33 6.609 -2.437 -1.113
273 H ARG 34 H ARG 34 3.586 1.564 -2.856
274 HA ARG 34 HA ARG 34 3.297 1.541 -5.580
275 1HB ARG 34 2HB ARG 34 3.056 3.835 -3.631
276 2HB ARG 34 1HB ARG 34 2.585 3.970 -5.326
277 1HG ARG 34 2HG ARG 34 1.041 2.054 -5.044
278 2HG ARG 34 1HG ARG 34 1.493 1.949 -3.343
279 1HD ARG 34 2HD ARG 34 0.388 3.910 -2.787
280 2HD ARG 34 1HD ARG 34 0.536 4.579 -4.407
281 HE ARG 34 HE ARG 34 -1.257 3.084 -5.105
282 1HH1 ARG 34 1HH2 ARG 34 -0.704 3.375 -1.683
283 2HH1 ARG 34 2HH2 ARG 34 -2.294 2.843 -1.256
284 1HH2 ARG 34 1HH1 ARG 34 -3.325 2.387 -4.528
285 2HH2 ARG 34 2HH1 ARG 34 -3.770 2.281 -2.858
286 H GLN 35 H GLN 35 5.476 3.708 -3.762
287 HA GLN 35 HA GLN 35 6.635 4.959 -6.011
288 1HB GLN 35 2HB GLN 35 7.356 4.654 -3.130
289 2HB GLN 35 1HB GLN 35 8.618 5.186 -4.240
290 1HG GLN 35 2HG GLN 35 7.261 7.054 -4.985
291 2HG GLN 35 1HG GLN 35 5.883 6.480 -4.048
292 1HE2 GLN 35 1HE2 GLN 35 5.844 8.467 -2.762
293 2HE2 GLN 35 2HE2 GLN 35 7.027 8.768 -1.583
294 H GLU 36 H GLU 36 7.679 2.160 -4.088
295 HA GLU 36 HA GLU 36 10.079 1.657 -5.493
296 1HB GLU 36 2HB GLU 36 9.412 0.751 -3.225
297 2HB GLU 36 1HB GLU 36 8.387 -0.408 -4.073
298 1HG GLU 36 2HG GLU 36 10.278 -1.374 -5.203
299 2HG GLU 36 1HG GLU 36 11.342 -0.082 -4.655
300 H TYR 37 H TYR 37 6.770 0.467 -5.945
301 HA TYR 37 HA TYR 37 7.244 -1.514 -7.852
302 1HB TYR 37 2HB TYR 37 5.049 -0.898 -6.671
303 2HB TYR 37 1HB TYR 37 4.844 0.314 -7.933
304 HD1 TYR 37 HD1 TYR 37 5.740 -3.319 -7.574
305 HD2 TYR 37 HD2 TYR 37 3.713 -0.314 -9.880
306 HE1 TYR 37 HE1 TYR 37 4.891 -5.070 -9.110
307 HE2 TYR 37 HE2 TYR 37 2.863 -2.066 -11.414
308 HH TYR 37 HH TYR 37 2.467 -4.407 -11.498
309 H LEU 38 H LEU 38 6.217 1.846 -8.501
310 HA LEU 38 HA LEU 38 6.576 1.771 -11.280
311 1HB LEU 38 2HB LEU 38 6.339 3.900 -9.215
312 2HB LEU 38 1HB LEU 38 7.010 4.376 -10.772
313 HG LEU 38 HG LEU 38 4.505 4.608 -10.619
314 1HD1 LEU 38 1HD1 LEU 38 6.010 3.952 -12.734
315 2HD1 LEU 38 2HD1 LEU 38 4.255 4.083 -12.847
316 3HD1 LEU 38 3HD1 LEU 38 5.011 2.500 -12.670
317 1HD2 LEU 38 1HD2 LEU 38 4.337 1.619 -10.883
318 2HD2 LEU 38 2HD2 LEU 38 3.103 2.762 -10.355
319 3HD2 LEU 38 3HD2 LEU 38 4.428 2.337 -9.274
320 H LYS 39 H LYS 39 8.819 2.653 -8.685
321 HA LYS 39 HA LYS 39 10.953 3.524 -10.335
322 1HB LYS 39 2HB LYS 39 10.679 2.622 -7.500
323 2HB LYS 39 1HB LYS 39 12.295 2.730 -8.196
324 1HG LYS 39 2HG LYS 39 11.704 5.086 -8.940
325 2HG LYS 39 1HG LYS 39 10.246 4.949 -7.956
326 1HD LYS 39 2HD LYS 39 13.111 4.725 -6.981
327 2HD LYS 39 1HD LYS 39 11.985 6.040 -6.643
328 1HE LYS 39 2HE LYS 39 10.456 4.241 -5.617
329 2HE LYS 39 1HE LYS 39 11.866 3.184 -5.664
330 1HZ LYS 39 1HZ LYS 39 12.326 4.092 -3.693
331 2HZ LYS 39 2HZ LYS 39 11.292 5.419 -3.935
332 3HZ LYS 39 3HZ LYS 39 12.865 5.433 -4.580
333 H GLY 40 H GLY 40 10.344 0.416 -8.722
334 1HA GLY 40 2HA GLY 40 12.534 -1.051 -9.421
335 2HA GLY 40 1HA GLY 40 10.914 -1.736 -9.341
336 H PHE 41 H PHE 41 9.537 -1.304 -11.311
337 HA PHE 41 HA PHE 41 9.401 -2.271 -13.482
338 1HB PHE 41 2HB PHE 41 8.925 0.209 -13.419
339 2HB PHE 41 1HB PHE 41 10.575 0.471 -13.982
340 HD1 PHE 41 HD1 PHE 41 7.480 -1.481 -14.827
341 HD2 PHE 41 HD2 PHE 41 11.023 0.472 -16.275
342 HE1 PHE 41 HE1 PHE 41 6.757 -1.899 -17.162
343 HE2 PHE 41 HE2 PHE 41 10.300 0.055 -18.607
344 HZ PHE 41 HZ PHE 41 8.167 -1.130 -19.053
345 H ARG 42 H ARG 42 11.429 -3.680 -12.801
346 HA ARG 42 HA ARG 42 13.317 -3.462 -15.029
347 1HB ARG 42 2HB ARG 42 14.382 -2.265 -13.134
348 2HB ARG 42 1HB ARG 42 14.227 -3.721 -12.150
349 1HG ARG 42 2HG ARG 42 15.725 -4.946 -13.553
350 2HG ARG 42 1HG ARG 42 15.669 -3.710 -14.811
351 1HD ARG 42 2HD ARG 42 16.856 -2.137 -13.419
352 2HD ARG 42 1HD ARG 42 16.738 -3.207 -12.024
353 HE ARG 42 HE ARG 42 18.119 -4.337 -14.318
354 1HH1 ARG 42 1HH2 ARG 42 18.344 -2.555 -11.349
355 2HH1 ARG 42 2HH2 ARG 42 20.018 -2.925 -11.102
356 1HH2 ARG 42 1HH1 ARG 42 20.302 -4.820 -13.990
357 2HH2 ARG 42 2HH1 ARG 42 21.124 -4.210 -12.593
Start of MODEL 18
1 1H MET 1 1HT MET 1 6.862 -9.675 -4.968
2 2H MET 1 2HT MET 1 7.042 -8.366 -6.039
3 3H MET 1 3HT MET 1 8.291 -8.760 -4.957
4 HA MET 1 HA MET 1 8.974 -9.575 -7.043
5 1HB MET 1 2HB MET 1 7.788 -11.766 -5.312
6 2HB MET 1 1HB MET 1 8.902 -12.067 -6.648
7 1HG MET 1 2HG MET 1 10.282 -11.971 -4.712
8 2HG MET 1 1HG MET 1 10.486 -10.407 -5.498
9 1HE MET 1 1HE MET 1 10.863 -8.688 -2.669
10 2HE MET 1 2HE MET 1 11.596 -10.046 -3.519
11 3HE MET 1 3HE MET 1 10.993 -10.267 -1.880
12 H ILE 2 H ILE 2 6.148 -11.651 -6.407
13 HA ILE 2 HA ILE 2 5.526 -11.814 -9.205
14 HB ILE 2 HB ILE 2 5.102 -13.615 -7.432
15 1HG1 ILE 2 2HG1 ILE 2 2.831 -12.773 -9.264
16 2HG1 ILE 2 1HG1 ILE 2 4.226 -13.739 -9.738
17 1HG2 ILE 2 1HG2 ILE 2 3.941 -11.967 -5.873
18 2HG2 ILE 2 2HG2 ILE 2 3.081 -13.483 -6.144
19 3HG2 ILE 2 3HG2 ILE 2 2.569 -12.017 -6.980
20 1HD1 ILE 2 1HD1 ILE 2 3.566 -15.467 -8.082
21 2HD1 ILE 2 2HD1 ILE 2 2.308 -15.199 -9.290
22 3HD1 ILE 2 3HD1 ILE 2 2.141 -14.512 -7.675
23 H SER 3 H SER 3 3.541 -11.147 -10.192
24 HA SER 3 HA SER 3 2.482 -8.645 -9.029
25 1HB SER 3 2HB SER 3 1.782 -8.231 -11.461
26 2HB SER 3 1HB SER 3 3.505 -8.160 -11.108
27 HG SER 3 HG SER 3 3.563 -10.411 -11.762
28 H ASN 4 H ASN 4 1.289 -10.601 -7.823
29 HA ASN 4 HA ASN 4 -1.390 -10.678 -9.006
30 1HB ASN 4 2HB ASN 4 0.272 -13.101 -8.340
31 2HB ASN 4 1HB ASN 4 -1.489 -13.166 -8.287
32 1HD2 ASN 4 1HD2 ASN 4 1.284 -13.051 -10.408
33 2HD2 ASN 4 2HD2 ASN 4 0.418 -13.118 -11.863
34 H ALA 5 H ALA 5 -0.407 -12.808 -6.411
35 HA ALA 5 HA ALA 5 -2.339 -12.033 -4.597
36 1HB ALA 5 1HB ALA 5 -0.907 -13.047 -2.850
37 2HB ALA 5 2HB ALA 5 0.439 -13.083 -3.990
38 3HB ALA 5 3HB ALA 5 -1.000 -14.058 -4.290
39 H LYS 6 H LYS 6 0.654 -10.502 -5.397
40 HA LYS 6 HA LYS 6 0.925 -8.859 -3.084
41 1HB LYS 6 2HB LYS 6 2.719 -9.426 -4.795
42 2HB LYS 6 1HB LYS 6 1.946 -8.253 -5.863
43 1HG LYS 6 2HG LYS 6 2.290 -6.473 -4.250
44 2HG LYS 6 1HG LYS 6 2.909 -7.621 -3.060
45 1HD LYS 6 2HD LYS 6 4.806 -8.151 -4.521
46 2HD LYS 6 1HD LYS 6 4.179 -7.057 -5.756
47 1HE LYS 6 2HE LYS 6 4.228 -5.317 -3.744
48 2HE LYS 6 1HE LYS 6 5.462 -6.416 -3.130
49 1HZ LYS 6 1HZ LYS 6 6.131 -4.485 -4.689
50 2HZ LYS 6 2HZ LYS 6 5.573 -5.507 -5.926
51 3HZ LYS 6 3HZ LYS 6 6.836 -6.012 -4.908
52 H ILE 7 H ILE 7 -0.361 -8.271 -6.358
53 HA ILE 7 HA ILE 7 -1.108 -5.604 -6.062
54 HB ILE 7 HB ILE 7 -2.560 -7.761 -7.620
55 1HG1 ILE 7 2HG1 ILE 7 -0.485 -5.803 -8.634
56 2HG1 ILE 7 1HG1 ILE 7 -0.047 -7.411 -8.055
57 1HG2 ILE 7 1HG2 ILE 7 -2.524 -4.735 -7.873
58 2HG2 ILE 7 2HG2 ILE 7 -3.900 -5.722 -7.381
59 3HG2 ILE 7 3HG2 ILE 7 -3.281 -5.832 -9.029
60 1HD1 ILE 7 1HD1 ILE 7 -1.644 -8.400 -9.693
61 2HD1 ILE 7 2HD1 ILE 7 -0.358 -7.482 -10.474
62 3HD1 ILE 7 3HD1 ILE 7 -1.969 -6.781 -10.314
63 H ALA 8 H ALA 8 -2.999 -8.544 -5.405
64 HA ALA 8 HA ALA 8 -5.367 -7.328 -4.544
65 1HB ALA 8 1HB ALA 8 -5.796 -9.443 -3.342
66 2HB ALA 8 2HB ALA 8 -4.116 -9.918 -3.599
67 3HB ALA 8 3HB ALA 8 -5.201 -9.730 -4.977
68 H ARG 9 H ARG 9 -2.391 -8.076 -2.783
69 HA ARG 9 HA ARG 9 -3.332 -7.434 -0.197
70 1HB ARG 9 2HB ARG 9 -1.169 -8.630 -0.774
71 2HB ARG 9 1HB ARG 9 -0.492 -7.046 -1.155
72 1HG ARG 9 2HG ARG 9 -1.474 -6.409 1.224
73 2HG ARG 9 1HG ARG 9 -1.362 -8.148 1.497
74 1HD ARG 9 2HD ARG 9 0.927 -6.413 0.530
75 2HD ARG 9 1HD ARG 9 0.696 -6.919 2.202
76 HE ARG 9 HE ARG 9 0.816 -9.049 0.201
77 1HH1 ARG 9 1HH2 ARG 9 2.408 -7.147 2.623
78 2HH1 ARG 9 2HH2 ARG 9 3.687 -8.287 2.867
79 1HH2 ARG 9 1HH1 ARG 9 2.483 -10.541 0.525
80 2HH2 ARG 9 2HH1 ARG 9 3.723 -10.215 1.690
81 H ILE 10 H ILE 10 -0.963 -5.429 -1.974
82 HA ILE 10 HA ILE 10 -1.309 -3.087 -0.583
83 HB ILE 10 HB ILE 10 -0.804 -3.357 -3.559
84 1HG1 ILE 10 2HG1 ILE 10 1.208 -2.950 -1.328
85 2HG1 ILE 10 1HG1 ILE 10 0.761 -4.554 -1.907
86 1HG2 ILE 10 1HG2 ILE 10 -0.346 -1.070 -1.616
87 2HG2 ILE 10 2HG2 ILE 10 -1.449 -1.075 -2.991
88 3HG2 ILE 10 3HG2 ILE 10 0.294 -1.119 -3.259
89 1HD1 ILE 10 1HD1 ILE 10 1.760 -2.353 -3.732
90 2HD1 ILE 10 2HD1 ILE 10 1.530 -4.055 -4.131
91 3HD1 ILE 10 3HD1 ILE 10 2.812 -3.576 -3.019
92 H ASN 11 H ASN 11 -3.220 -4.240 -3.335
93 HA ASN 11 HA ASN 11 -4.835 -1.974 -3.709
94 1HB ASN 11 2HB ASN 11 -4.775 -3.752 -5.349
95 2HB ASN 11 1HB ASN 11 -5.392 -4.913 -4.179
96 1HD2 ASN 11 1HD2 ASN 11 -7.298 -5.366 -5.478
97 2HD2 ASN 11 2HD2 ASN 11 -8.551 -4.232 -5.640
98 H GLU 12 H GLU 12 -5.842 -5.014 -2.130
99 HA GLU 12 HA GLU 12 -8.145 -3.959 -0.918
100 1HB GLU 12 2HB GLU 12 -7.496 -6.413 -1.281
101 2HB GLU 12 1HB GLU 12 -6.551 -6.266 0.199
102 1HG GLU 12 2HG GLU 12 -8.618 -7.054 0.983
103 2HG GLU 12 1HG GLU 12 -8.746 -5.315 1.234
104 H LEU 13 H LEU 13 -4.838 -4.325 0.328
105 HA LEU 13 HA LEU 13 -5.294 -3.613 2.996
106 1HB LEU 13 2HB LEU 13 -3.136 -4.465 1.813
107 2HB LEU 13 1HB LEU 13 -2.809 -2.758 1.528
108 HG LEU 13 HG LEU 13 -3.371 -3.970 4.253
109 1HD1 LEU 13 1HD1 LEU 13 -1.255 -4.818 3.488
110 2HD1 LEU 13 2HD1 LEU 13 -0.898 -3.489 4.590
111 3HD1 LEU 13 3HD1 LEU 13 -0.786 -3.244 2.848
112 1HD2 LEU 13 1HD2 LEU 13 -2.161 -1.669 4.813
113 2HD2 LEU 13 2HD2 LEU 13 -3.896 -1.715 4.503
114 3HD2 LEU 13 3HD2 LEU 13 -2.785 -1.207 3.231
115 H ALA 14 H ALA 14 -4.170 -1.501 0.339
116 HA ALA 14 HA ALA 14 -4.174 0.914 1.695
117 1HB ALA 14 1HB ALA 14 -4.203 1.982 -0.429
118 2HB ALA 14 2HB ALA 14 -5.059 0.632 -1.176
119 3HB ALA 14 3HB ALA 14 -3.378 0.443 -0.678
120 H ALA 15 H ALA 15 -6.842 -0.472 -0.221
121 HA ALA 15 HA ALA 15 -8.719 1.555 0.327
122 1HB ALA 15 1HB ALA 15 -10.356 0.054 -0.570
123 2HB ALA 15 2HB ALA 15 -9.347 -1.351 -0.222
124 3HB ALA 15 3HB ALA 15 -8.866 -0.207 -1.476
125 H LYS 16 H LYS 16 -8.009 -1.491 1.981
126 HA LYS 16 HA LYS 16 -10.153 -1.415 3.817
127 1HB LYS 16 2HB LYS 16 -8.720 -3.420 3.285
128 2HB LYS 16 1HB LYS 16 -7.457 -2.695 4.280
129 1HG LYS 16 2HG LYS 16 -8.715 -2.898 6.251
130 2HG LYS 16 1HG LYS 16 -10.242 -3.027 5.377
131 1HD LYS 16 2HD LYS 16 -9.556 -5.219 6.290
132 2HD LYS 16 1HD LYS 16 -9.580 -5.244 4.526
133 1HE LYS 16 2HE LYS 16 -7.235 -5.198 4.366
134 2HE LYS 16 1HE LYS 16 -7.040 -4.564 6.001
135 1HZ LYS 16 1HZ LYS 16 -6.804 -6.636 6.698
136 2HZ LYS 16 2HZ LYS 16 -7.107 -7.248 5.141
137 3HZ LYS 16 3HZ LYS 16 -8.393 -6.979 6.216
138 H ALA 17 H ALA 17 -6.705 -0.764 4.423
139 HA ALA 17 HA ALA 17 -6.994 0.353 6.970
140 1HB ALA 17 1HB ALA 17 -4.917 0.856 4.823
141 2HB ALA 17 2HB ALA 17 -4.812 -0.286 6.164
142 3HB ALA 17 3HB ALA 17 -4.781 1.449 6.478
143 H LYS 18 H LYS 18 -7.778 1.630 3.863
144 HA LYS 18 HA LYS 18 -7.630 4.415 4.600
145 1HB LYS 18 2HB LYS 18 -8.554 2.855 2.250
146 2HB LYS 18 1HB LYS 18 -9.305 4.431 2.487
147 1HG LYS 18 2HG LYS 18 -7.176 5.542 2.467
148 2HG LYS 18 1HG LYS 18 -6.308 4.008 2.537
149 1HD LYS 18 2HD LYS 18 -7.198 3.391 0.324
150 2HD LYS 18 1HD LYS 18 -8.083 4.913 0.250
151 1HE LYS 18 2HE LYS 18 -6.157 6.180 -0.049
152 2HE LYS 18 1HE LYS 18 -5.125 4.988 0.739
153 1HZ LYS 18 1HZ LYS 18 -5.980 5.157 -2.019
154 2HZ LYS 18 2HZ LYS 18 -6.062 3.598 -1.348
155 3HZ LYS 18 3HZ LYS 18 -4.590 4.446 -1.356
156 H ALA 19 H ALA 19 -10.480 2.473 3.682
157 HA ALA 19 HA ALA 19 -12.267 4.240 5.076
158 1HB ALA 19 1HB ALA 19 -12.798 1.497 3.907
159 2HB ALA 19 2HB ALA 19 -12.915 3.015 3.020
160 3HB ALA 19 3HB ALA 19 -14.012 2.693 4.362
161 H GLY 20 H GLY 20 -10.194 1.890 6.179
162 1HA GLY 20 2HA GLY 20 -11.967 1.010 8.367
163 2HA GLY 20 1HA GLY 20 -10.434 0.262 7.919
164 H VAL 21 H VAL 21 -8.465 1.574 8.251
165 HA VAL 21 HA VAL 21 -8.322 3.911 9.754
166 HB VAL 21 HB VAL 21 -9.328 2.926 11.646
167 1HG1 VAL 21 1HG1 VAL 21 -9.365 0.602 10.939
168 2HG1 VAL 21 2HG1 VAL 21 -8.602 0.691 12.524
169 3HG1 VAL 21 3HG1 VAL 21 -7.612 0.489 11.081
170 1HG2 VAL 21 1HG2 VAL 21 -7.668 3.167 13.247
171 2HG2 VAL 21 2HG2 VAL 21 -6.872 3.905 11.856
172 3HG2 VAL 21 3HG2 VAL 21 -6.487 2.246 12.312
173 H ILE 22 H ILE 22 -6.514 4.400 8.603
174 HA ILE 22 HA ILE 22 -4.273 2.504 8.567
175 HB ILE 22 HB ILE 22 -5.068 3.738 6.484
176 1HG1 ILE 22 2HG1 ILE 22 -2.191 4.414 7.045
177 2HG1 ILE 22 1HG1 ILE 22 -2.691 2.724 7.036
178 1HG2 ILE 22 1HG2 ILE 22 -3.480 6.070 7.520
179 2HG2 ILE 22 2HG2 ILE 22 -5.199 5.943 7.897
180 3HG2 ILE 22 3HG2 ILE 22 -4.669 6.020 6.219
181 1HD1 ILE 22 1HD1 ILE 22 -1.921 3.396 4.800
182 2HD1 ILE 22 2HD1 ILE 22 -3.104 4.703 4.775
183 3HD1 ILE 22 3HD1 ILE 22 -3.644 3.025 4.768
184 H THR 23 H THR 23 -2.381 2.822 9.636
185 HA THR 23 HA THR 23 -2.187 5.232 11.347
186 HB THR 23 HB THR 23 -1.081 3.905 13.004
187 HG1 THR 23 HG1 THR 23 -0.250 1.983 12.583
188 1HG2 THR 23 1HG2 THR 23 -3.269 2.087 12.001
189 2HG2 THR 23 2HG2 THR 23 -3.635 3.682 12.656
190 3HG2 THR 23 3HG2 THR 23 -2.842 2.475 13.667
191 H GLU 24 H GLU 24 0.166 5.639 12.036
192 HA GLU 24 HA GLU 24 1.689 6.446 9.872
193 1HB GLU 24 2HB GLU 24 2.015 7.203 12.225
194 2HB GLU 24 1HB GLU 24 2.768 5.650 12.589
195 1HG GLU 24 2HG GLU 24 4.583 6.071 11.089
196 2HG GLU 24 1HG GLU 24 3.759 7.451 10.368
197 H GLU 25 H GLU 25 1.961 3.438 11.737
198 HA GLU 25 HA GLU 25 4.215 2.346 10.477
199 1HB GLU 25 2HB GLU 25 2.953 1.524 12.559
200 2HB GLU 25 1HB GLU 25 1.859 0.720 11.436
201 1HG GLU 25 2HG GLU 25 4.864 0.339 11.402
202 2HG GLU 25 1HG GLU 25 3.759 -0.726 12.269
203 H GLU 26 H GLU 26 0.767 1.745 9.792
204 HA GLU 26 HA GLU 26 1.170 0.142 7.507
205 1HB GLU 26 2HB GLU 26 -1.153 1.782 8.504
206 2HB GLU 26 1HB GLU 26 -1.243 0.881 6.990
207 1HG GLU 26 2HG GLU 26 -0.872 -1.204 8.105
208 2HG GLU 26 1HG GLU 26 -0.413 -0.398 9.604
209 H LYS 27 H LYS 27 0.285 3.592 7.756
210 HA LYS 27 HA LYS 27 0.223 4.213 5.055
211 1HB LYS 27 2HB LYS 27 -0.107 5.638 7.347
212 2HB LYS 27 1HB LYS 27 1.442 6.273 6.794
213 1HG LYS 27 2HG LYS 27 -0.974 6.044 4.982
214 2HG LYS 27 1HG LYS 27 -0.624 7.491 5.925
215 1HD LYS 27 2HD LYS 27 1.642 7.577 4.839
216 2HD LYS 27 1HD LYS 27 1.146 6.234 3.808
217 1HE LYS 27 2HE LYS 27 -0.542 7.526 2.750
218 2HE LYS 27 1HE LYS 27 -0.471 8.780 3.987
219 1HZ LYS 27 1HZ LYS 27 0.916 8.715 1.609
220 2HZ LYS 27 2HZ LYS 27 2.073 8.379 2.803
221 3HZ LYS 27 3HZ LYS 27 1.145 9.799 2.894
222 H ALA 28 H ALA 28 3.010 4.375 7.272
223 HA ALA 28 HA ALA 28 4.903 5.314 5.431
224 1HB ALA 28 1HB ALA 28 5.404 5.297 7.790
225 2HB ALA 28 2HB ALA 28 6.581 4.266 6.974
226 3HB ALA 28 3HB ALA 28 5.239 3.542 7.859
227 H GLU 29 H GLU 29 3.849 2.022 6.184
228 HA GLU 29 HA GLU 29 5.760 0.615 4.680
229 1HB GLU 29 2HB GLU 29 4.240 -0.481 6.271
230 2HB GLU 29 1HB GLU 29 2.868 -0.110 5.227
231 1HG GLU 29 2HG GLU 29 5.155 -1.530 3.956
232 2HG GLU 29 1HG GLU 29 4.194 -2.456 5.106
233 H GLN 30 H GLN 30 2.381 1.286 3.733
234 HA GLN 30 HA GLN 30 2.511 0.521 1.087
235 1HB GLN 30 2HB GLN 30 0.955 2.960 1.922
236 2HB GLN 30 1HB GLN 30 0.521 1.728 0.736
237 1HG GLN 30 2HG GLN 30 0.718 0.140 2.884
238 2HG GLN 30 1HG GLN 30 0.340 1.645 3.715
239 1HE2 GLN 30 1HE2 GLN 30 -0.840 0.282 0.585
240 2HE2 GLN 30 2HE2 GLN 30 -2.482 0.398 0.998
241 H GLN 31 H GLN 31 3.814 3.384 2.569
242 HA GLN 31 HA GLN 31 4.063 5.101 0.394
243 1HB GLN 31 2HB GLN 31 4.689 5.413 2.908
244 2HB GLN 31 1HB GLN 31 6.273 4.822 2.404
245 1HG GLN 31 2HG GLN 31 6.309 6.588 0.626
246 2HG GLN 31 1HG GLN 31 4.803 7.224 1.281
247 1HE2 GLN 31 1HE2 GLN 31 6.420 6.074 3.944
248 2HE2 GLN 31 2HE2 GLN 31 7.242 7.488 4.401
249 H LYS 32 H LYS 32 6.480 2.731 1.565
250 HA LYS 32 HA LYS 32 8.343 3.136 -0.493
251 1HB LYS 32 2HB LYS 32 8.721 1.885 1.668
252 2HB LYS 32 1HB LYS 32 7.872 0.521 0.942
253 1HG LYS 32 2HG LYS 32 9.499 0.469 -0.904
254 2HG LYS 32 1HG LYS 32 10.344 1.853 -0.210
255 1HD LYS 32 2HD LYS 32 10.570 0.412 1.922
256 2HD LYS 32 1HD LYS 32 10.114 -0.948 0.894
257 1HE LYS 32 2HE LYS 32 12.583 -0.682 1.048
258 2HE LYS 32 1HE LYS 32 11.994 -0.490 -0.602
259 1HZ LYS 32 1HZ LYS 32 13.594 1.257 0.644
260 2HZ LYS 32 2HZ LYS 32 12.070 1.945 0.953
261 3HZ LYS 32 3HZ LYS 32 12.568 1.659 -0.646
262 H LEU 33 H LEU 33 6.065 0.382 -0.186
263 HA LEU 33 HA LEU 33 6.530 -0.731 -2.687
264 1HB LEU 33 2HB LEU 33 3.875 -0.681 -1.233
265 2HB LEU 33 1HB LEU 33 4.383 -1.847 -2.455
266 HG LEU 33 HG LEU 33 5.553 -1.458 0.315
267 1HD1 LEU 33 1HD1 LEU 33 4.315 -3.865 -1.062
268 2HD1 LEU 33 2HD1 LEU 33 3.503 -2.853 0.134
269 3HD1 LEU 33 3HD1 LEU 33 4.908 -3.811 0.598
270 1HD2 LEU 33 1HD2 LEU 33 7.012 -3.464 -0.470
271 2HD2 LEU 33 2HD2 LEU 33 7.475 -1.849 -1.008
272 3HD2 LEU 33 3HD2 LEU 33 6.609 -2.930 -2.102
273 H ARG 34 H ARG 34 3.685 1.295 -1.897
274 HA ARG 34 HA ARG 34 2.698 1.673 -4.434
275 1HB ARG 34 2HB ARG 34 1.614 2.479 -2.359
276 2HB ARG 34 1HB ARG 34 2.812 3.768 -2.253
277 1HG ARG 34 2HG ARG 34 2.059 4.736 -4.334
278 2HG ARG 34 1HG ARG 34 0.998 3.362 -4.648
279 1HD ARG 34 2HD ARG 34 -0.101 5.482 -3.689
280 2HD ARG 34 1HD ARG 34 -0.479 3.958 -2.895
281 HE ARG 34 HE ARG 34 0.722 4.675 -1.019
282 1HH1 ARG 34 1HH2 ARG 34 1.166 6.806 -3.718
283 2HH1 ARG 34 2HH2 ARG 34 1.950 8.036 -2.786
284 1HH2 ARG 34 1HH1 ARG 34 1.762 6.288 0.195
285 2HH2 ARG 34 2HH1 ARG 34 2.288 7.744 -0.580
286 H GLN 35 H GLN 35 5.306 3.510 -2.860
287 HA GLN 35 HA GLN 35 5.663 5.440 -4.885
288 1HB GLN 35 2HB GLN 35 6.703 5.859 -2.792
289 2HB GLN 35 1HB GLN 35 7.533 4.304 -2.806
290 1HG GLN 35 2HG GLN 35 9.066 4.993 -4.453
291 2HG GLN 35 1HG GLN 35 8.039 6.324 -4.983
292 1HE2 GLN 35 1HE2 GLN 35 8.714 5.634 -1.555
293 2HE2 GLN 35 2HE2 GLN 35 9.619 7.044 -1.281
294 H GLU 36 H GLU 36 7.608 2.516 -4.245
295 HA GLU 36 HA GLU 36 9.084 2.623 -6.647
296 1HB GLU 36 2HB GLU 36 8.392 0.219 -4.938
297 2HB GLU 36 1HB GLU 36 9.664 0.278 -6.158
298 1HG GLU 36 2HG GLU 36 9.603 2.289 -3.913
299 2HG GLU 36 1HG GLU 36 10.310 0.695 -3.664
300 H TYR 37 H TYR 37 6.023 1.081 -5.812
301 HA TYR 37 HA TYR 37 5.673 -0.509 -8.081
302 1HB TYR 37 2HB TYR 37 4.230 -0.372 -5.940
303 2HB TYR 37 1HB TYR 37 3.372 0.925 -6.771
304 HD1 TYR 37 HD1 TYR 37 4.665 -2.542 -7.435
305 HD2 TYR 37 HD2 TYR 37 1.557 0.343 -8.127
306 HE1 TYR 37 HE1 TYR 37 3.399 -4.222 -8.751
307 HE2 TYR 37 HE2 TYR 37 0.286 -1.337 -9.434
308 HH TYR 37 HH TYR 37 0.212 -3.432 -10.163
309 H LEU 38 H LEU 38 4.104 2.665 -7.556
310 HA LEU 38 HA LEU 38 3.301 3.013 -10.230
311 1HB LEU 38 2HB LEU 38 3.545 4.728 -7.824
312 2HB LEU 38 1HB LEU 38 3.535 5.574 -9.370
313 HG LEU 38 HG LEU 38 1.247 5.244 -8.361
314 1HD1 LEU 38 1HD1 LEU 38 1.925 5.297 -10.934
315 2HD1 LEU 38 2HD1 LEU 38 0.261 4.998 -10.432
316 3HD1 LEU 38 3HD1 LEU 38 1.300 3.649 -10.889
317 1HD2 LEU 38 1HD2 LEU 38 1.493 2.357 -9.190
318 2HD2 LEU 38 2HD2 LEU 38 0.300 3.106 -8.129
319 3HD2 LEU 38 3HD2 LEU 38 1.949 2.859 -7.561
320 H LYS 39 H LYS 39 6.208 4.096 -8.518
321 HA LYS 39 HA LYS 39 7.327 5.579 -10.658
322 1HB LYS 39 2HB LYS 39 8.005 5.814 -8.288
323 2HB LYS 39 1HB LYS 39 8.747 4.218 -8.359
324 1HG LYS 39 2HG LYS 39 10.233 5.008 -10.182
325 2HG LYS 39 1HG LYS 39 9.514 6.616 -10.052
326 1HD LYS 39 2HD LYS 39 10.201 6.643 -7.627
327 2HD LYS 39 1HD LYS 39 11.074 5.136 -7.915
328 1HE LYS 39 2HE LYS 39 11.562 7.599 -9.596
329 2HE LYS 39 1HE LYS 39 12.430 7.317 -8.086
330 1HZ LYS 39 1HZ LYS 39 12.319 5.100 -9.974
331 2HZ LYS 39 2HZ LYS 39 13.581 5.600 -8.953
332 3HZ LYS 39 3HZ LYS 39 13.290 6.421 -10.411
333 H GLY 40 H GLY 40 7.274 2.167 -9.945
334 1HA GLY 40 2HA GLY 40 9.347 1.635 -11.973
335 2HA GLY 40 1HA GLY 40 8.730 0.471 -10.805
336 H PHE 41 H PHE 41 5.992 0.800 -11.163
337 HA PHE 41 HA PHE 41 5.493 -0.814 -13.442
338 1HB PHE 41 2HB PHE 41 4.143 -0.619 -11.244
339 2HB PHE 41 1HB PHE 41 3.382 0.783 -11.993
340 HD1 PHE 41 HD1 PHE 41 1.477 0.446 -13.291
341 HD2 PHE 41 HD2 PHE 41 4.267 -2.784 -12.790
342 HE1 PHE 41 HE1 PHE 41 -0.036 -1.059 -14.553
343 HE2 PHE 41 HE2 PHE 41 2.751 -4.287 -14.051
344 HZ PHE 41 HZ PHE 41 0.602 -3.425 -14.934
345 H ARG 42 H ARG 42 6.605 0.635 -15.010
346 HA ARG 42 HA ARG 42 5.506 3.154 -15.737
347 1HB ARG 42 2HB ARG 42 7.231 1.210 -17.294
348 2HB ARG 42 1HB ARG 42 6.863 2.857 -17.808
349 1HG ARG 42 2HG ARG 42 7.776 3.594 -15.515
350 2HG ARG 42 1HG ARG 42 8.442 1.965 -15.392
351 1HD ARG 42 2HD ARG 42 10.228 2.957 -16.429
352 2HD ARG 42 1HD ARG 42 9.289 2.576 -17.869
353 HE ARG 42 HE ARG 42 8.755 5.176 -16.656
354 1HH1 ARG 42 1HH2 ARG 42 10.485 3.318 -19.022
355 2HH1 ARG 42 2HH2 ARG 42 10.825 4.679 -20.034
356 1HH2 ARG 42 1HH1 ARG 42 9.215 6.957 -17.980
357 2HH2 ARG 42 2HH1 ARG 42 10.109 6.735 -19.447
Start of MODEL 19
1 1H MET 1 1HT MET 1 1.230 -4.299 -14.569
2 2H MET 1 2HT MET 1 2.192 -3.374 -15.618
3 3H MET 1 3HT MET 1 2.744 -3.732 -14.053
4 HA MET 1 HA MET 1 2.770 -5.359 -16.454
5 1HB MET 1 2HB MET 1 4.407 -5.462 -13.899
6 2HB MET 1 1HB MET 1 4.827 -6.172 -15.458
7 1HG MET 1 2HG MET 1 4.614 -3.226 -14.780
8 2HG MET 1 1HG MET 1 6.060 -4.111 -15.259
9 1HE MET 1 1HE MET 1 6.356 -5.349 -17.086
10 2HE MET 1 2HE MET 1 6.261 -4.556 -18.655
11 3HE MET 1 3HE MET 1 5.069 -5.778 -18.221
12 H ILE 2 H ILE 2 3.749 -7.105 -13.772
13 HA ILE 2 HA ILE 2 1.744 -9.100 -14.137
14 HB ILE 2 HB ILE 2 4.132 -9.486 -13.388
15 1HG1 ILE 2 2HG1 ILE 2 2.083 -10.645 -11.478
16 2HG1 ILE 2 1HG1 ILE 2 2.173 -11.130 -13.171
17 1HG2 ILE 2 1HG2 ILE 2 4.694 -9.170 -11.069
18 2HG2 ILE 2 2HG2 ILE 2 3.042 -8.705 -10.668
19 3HG2 ILE 2 3HG2 ILE 2 4.045 -7.637 -11.651
20 1HD1 ILE 2 1HD1 ILE 2 3.483 -12.708 -11.905
21 2HD1 ILE 2 2HD1 ILE 2 4.339 -11.410 -11.071
22 3HD1 ILE 2 3HD1 ILE 2 4.612 -11.684 -12.791
23 H SER 3 H SER 3 0.308 -9.915 -12.456
24 HA SER 3 HA SER 3 -0.390 -8.141 -10.266
25 1HB SER 3 2HB SER 3 -2.774 -7.955 -11.026
26 2HB SER 3 1HB SER 3 -1.636 -7.056 -12.025
27 HG SER 3 HG SER 3 -1.864 -8.501 -13.610
28 H ASN 4 H ASN 4 -0.414 -9.598 -8.691
29 HA ASN 4 HA ASN 4 -2.323 -11.786 -8.809
30 1HB ASN 4 2HB ASN 4 -0.756 -13.540 -8.312
31 2HB ASN 4 1HB ASN 4 -0.175 -12.708 -9.752
32 1HD2 ASN 4 1HD2 ASN 4 1.345 -10.689 -9.060
33 2HD2 ASN 4 2HD2 ASN 4 2.522 -11.080 -7.902
34 H ALA 5 H ALA 5 -1.097 -13.104 -6.502
35 HA ALA 5 HA ALA 5 -2.416 -11.952 -4.395
36 1HB ALA 5 1HB ALA 5 -0.818 -13.182 -2.921
37 2HB ALA 5 2HB ALA 5 0.175 -13.516 -4.339
38 3HB ALA 5 3HB ALA 5 -1.459 -14.172 -4.233
39 H LYS 6 H LYS 6 0.534 -10.886 -5.843
40 HA LYS 6 HA LYS 6 1.571 -9.386 -3.656
41 1HB LYS 6 2HB LYS 6 1.977 -8.999 -6.633
42 2HB LYS 6 1HB LYS 6 2.971 -8.298 -5.355
43 1HG LYS 6 2HG LYS 6 3.409 -10.676 -4.553
44 2HG LYS 6 1HG LYS 6 2.653 -11.231 -6.046
45 1HD LYS 6 2HD LYS 6 4.348 -10.337 -7.395
46 2HD LYS 6 1HD LYS 6 4.867 -9.196 -6.155
47 1HE LYS 6 2HE LYS 6 5.883 -10.931 -4.853
48 2HE LYS 6 1HE LYS 6 5.132 -12.193 -5.828
49 1HZ LYS 6 1HZ LYS 6 7.356 -11.991 -6.557
50 2HZ LYS 6 2HZ LYS 6 7.258 -10.297 -6.651
51 3HZ LYS 6 3HZ LYS 6 6.400 -11.263 -7.754
52 H ILE 7 H ILE 7 0.318 -8.029 -6.707
53 HA ILE 7 HA ILE 7 -0.186 -5.472 -5.694
54 HB ILE 7 HB ILE 7 -1.241 -7.002 -8.060
55 1HG1 ILE 7 2HG1 ILE 7 0.059 -5.383 -9.307
56 2HG1 ILE 7 1HG1 ILE 7 0.317 -4.405 -7.865
57 1HG2 ILE 7 1HG2 ILE 7 -2.264 -4.758 -8.760
58 2HG2 ILE 7 2HG2 ILE 7 -2.125 -4.285 -7.066
59 3HG2 ILE 7 3HG2 ILE 7 -3.137 -5.658 -7.520
60 1HD1 ILE 7 1HD1 ILE 7 1.287 -7.263 -8.112
61 2HD1 ILE 7 2HD1 ILE 7 1.724 -6.084 -6.876
62 3HD1 ILE 7 3HD1 ILE 7 2.280 -5.868 -8.535
63 H ALA 8 H ALA 8 -2.274 -8.329 -5.824
64 HA ALA 8 HA ALA 8 -4.703 -7.169 -5.078
65 1HB ALA 8 1HB ALA 8 -3.503 -9.893 -4.812
66 2HB ALA 8 2HB ALA 8 -4.950 -9.386 -5.680
67 3HB ALA 8 3HB ALA 8 -4.986 -9.545 -3.923
68 H ARG 9 H ARG 9 -2.072 -8.429 -3.055
69 HA ARG 9 HA ARG 9 -3.276 -8.019 -0.547
70 1HB ARG 9 2HB ARG 9 -1.226 -9.366 -0.909
71 2HB ARG 9 1HB ARG 9 -0.332 -7.889 -1.257
72 1HG ARG 9 2HG ARG 9 0.069 -8.422 1.053
73 2HG ARG 9 1HG ARG 9 -1.030 -7.043 1.028
74 1HD ARG 9 2HD ARG 9 -1.619 -8.973 2.628
75 2HD ARG 9 1HD ARG 9 -2.906 -8.380 1.582
76 HE ARG 9 HE ARG 9 -1.408 -10.596 0.465
77 1HH1 ARG 9 1HH2 ARG 9 -4.047 -9.592 2.474
78 2HH1 ARG 9 2HH2 ARG 9 -4.934 -11.066 2.276
79 1HH2 ARG 9 1HH1 ARG 9 -2.570 -12.528 0.207
80 2HH2 ARG 9 2HH1 ARG 9 -4.103 -12.723 0.989
81 H ILE 10 H ILE 10 -0.635 -6.050 -1.907
82 HA ILE 10 HA ILE 10 -0.897 -3.893 -0.184
83 HB ILE 10 HB ILE 10 0.606 -2.756 -1.547
84 1HG1 ILE 10 2HG1 ILE 10 -0.641 -4.220 -3.890
85 2HG1 ILE 10 1HG1 ILE 10 -0.772 -2.501 -3.533
86 1HG2 ILE 10 1HG2 ILE 10 2.235 -4.348 -2.068
87 2HG2 ILE 10 2HG2 ILE 10 1.054 -5.492 -2.705
88 3HG2 ILE 10 3HG2 ILE 10 1.195 -5.248 -0.966
89 1HD1 ILE 10 1HD1 ILE 10 1.527 -4.036 -4.661
90 2HD1 ILE 10 2HD1 ILE 10 1.899 -2.674 -3.606
91 3HD1 ILE 10 3HD1 ILE 10 0.948 -2.419 -5.069
92 H ASN 11 H ASN 11 -2.646 -4.541 -3.192
93 HA ASN 11 HA ASN 11 -3.855 -2.006 -3.498
94 1HB ASN 11 2HB ASN 11 -3.961 -3.558 -5.324
95 2HB ASN 11 1HB ASN 11 -4.768 -4.767 -4.328
96 1HD2 ASN 11 1HD2 ASN 11 -6.879 -4.903 -5.121
97 2HD2 ASN 11 2HD2 ASN 11 -7.883 -3.569 -5.425
98 H GLU 12 H GLU 12 -5.323 -4.995 -2.212
99 HA GLU 12 HA GLU 12 -7.639 -3.825 -1.174
100 1HB GLU 12 2HB GLU 12 -6.783 -6.362 -1.413
101 2HB GLU 12 1HB GLU 12 -6.460 -6.126 0.302
102 1HG GLU 12 2HG GLU 12 -9.125 -5.586 -1.044
103 2HG GLU 12 1HG GLU 12 -8.739 -7.034 -0.120
104 H LEU 13 H LEU 13 -4.541 -4.542 0.451
105 HA LEU 13 HA LEU 13 -5.222 -3.625 3.004
106 1HB LEU 13 2HB LEU 13 -3.014 -4.762 2.000
107 2HB LEU 13 1HB LEU 13 -2.461 -3.088 2.010
108 HG LEU 13 HG LEU 13 -3.503 -4.681 4.376
109 1HD1 LEU 13 1HD1 LEU 13 -0.820 -3.344 3.907
110 2HD1 LEU 13 2HD1 LEU 13 -1.127 -5.057 3.619
111 3HD1 LEU 13 3HD1 LEU 13 -1.257 -4.399 5.250
112 1HD2 LEU 13 1HD2 LEU 13 -4.327 -2.476 4.724
113 2HD2 LEU 13 2HD2 LEU 13 -2.876 -1.739 4.044
114 3HD2 LEU 13 3HD2 LEU 13 -2.809 -2.525 5.620
115 H ALA 14 H ALA 14 -3.639 -1.858 0.333
116 HA ALA 14 HA ALA 14 -3.414 0.627 1.568
117 1HB ALA 14 1HB ALA 14 -3.394 1.569 -0.719
118 2HB ALA 14 2HB ALA 14 -3.947 0.017 -1.349
119 3HB ALA 14 3HB ALA 14 -2.364 0.146 -0.581
120 H ALA 15 H ALA 15 -6.042 -0.466 -0.592
121 HA ALA 15 HA ALA 15 -7.689 1.792 -0.234
122 1HB ALA 15 1HB ALA 15 -8.174 -1.033 -1.138
123 2HB ALA 15 2HB ALA 15 -8.233 0.460 -2.076
124 3HB ALA 15 3HB ALA 15 -9.522 0.084 -0.932
125 H LYS 16 H LYS 16 -7.536 -1.297 1.481
126 HA LYS 16 HA LYS 16 -9.799 -0.914 3.134
127 1HB LYS 16 2HB LYS 16 -8.897 -3.125 2.916
128 2HB LYS 16 1HB LYS 16 -7.313 -2.600 3.485
129 1HG LYS 16 2HG LYS 16 -8.098 -2.272 5.702
130 2HG LYS 16 1HG LYS 16 -9.786 -2.308 5.195
131 1HD LYS 16 2HD LYS 16 -9.520 -4.699 4.562
132 2HD LYS 16 1HD LYS 16 -7.860 -4.653 5.153
133 1HE LYS 16 2HE LYS 16 -10.280 -3.996 6.858
134 2HE LYS 16 1HE LYS 16 -9.502 -5.576 6.820
135 1HZ LYS 16 1HZ LYS 16 -7.825 -3.222 7.290
136 2HZ LYS 16 2HZ LYS 16 -7.662 -4.805 7.884
137 3HZ LYS 16 3HZ LYS 16 -8.815 -3.757 8.559
138 H ALA 17 H ALA 17 -6.337 -0.659 3.966
139 HA ALA 17 HA ALA 17 -6.684 0.520 6.480
140 1HB ALA 17 1HB ALA 17 -4.328 1.301 6.198
141 2HB ALA 17 2HB ALA 17 -4.395 0.779 4.515
142 3HB ALA 17 3HB ALA 17 -4.540 -0.406 5.814
143 H LYS 18 H LYS 18 -7.211 1.793 3.354
144 HA LYS 18 HA LYS 18 -6.803 4.574 4.120
145 1HB LYS 18 2HB LYS 18 -6.356 3.979 1.819
146 2HB LYS 18 1HB LYS 18 -7.977 3.314 1.631
147 1HG LYS 18 2HG LYS 18 -8.993 5.454 1.797
148 2HG LYS 18 1HG LYS 18 -7.518 6.192 2.423
149 1HD LYS 18 2HD LYS 18 -6.398 5.874 0.277
150 2HD LYS 18 1HD LYS 18 -7.803 5.017 -0.358
151 1HE LYS 18 2HE LYS 18 -7.922 7.297 -1.156
152 2HE LYS 18 1HE LYS 18 -9.167 7.096 0.078
153 1HZ LYS 18 1HZ LYS 18 -6.460 8.196 0.603
154 2HZ LYS 18 2HZ LYS 18 -7.766 8.132 1.689
155 3HZ LYS 18 3HZ LYS 18 -7.838 9.147 0.330
156 H ALA 19 H ALA 19 -9.659 2.869 2.806
157 HA ALA 19 HA ALA 19 -11.474 4.772 3.966
158 1HB ALA 19 1HB ALA 19 -11.957 3.587 1.842
159 2HB ALA 19 2HB ALA 19 -13.223 3.335 3.044
160 3HB ALA 19 3HB ALA 19 -12.040 2.066 2.729
161 H GLY 20 H GLY 20 -9.702 2.352 5.331
162 1HA GLY 20 2HA GLY 20 -11.786 1.533 7.250
163 2HA GLY 20 1HA GLY 20 -10.233 0.739 7.021
164 H VAL 21 H VAL 21 -8.284 1.984 7.668
165 HA VAL 21 HA VAL 21 -8.578 4.213 9.475
166 HB VAL 21 HB VAL 21 -7.427 2.867 11.368
167 1HG1 VAL 21 1HG1 VAL 21 -10.298 2.088 10.887
168 2HG1 VAL 21 2HG1 VAL 21 -9.854 3.762 11.219
169 3HG1 VAL 21 3HG1 VAL 21 -9.508 2.508 12.407
170 1HG2 VAL 21 1HG2 VAL 21 -6.996 0.817 10.108
171 2HG2 VAL 21 2HG2 VAL 21 -8.714 0.635 9.760
172 3HG2 VAL 21 3HG2 VAL 21 -8.126 0.469 11.414
173 H ILE 22 H ILE 22 -7.061 5.197 8.130
174 HA ILE 22 HA ILE 22 -4.493 3.934 7.653
175 HB ILE 22 HB ILE 22 -5.635 5.425 5.985
176 1HG1 ILE 22 2HG1 ILE 22 -3.450 6.899 5.689
177 2HG1 ILE 22 1HG1 ILE 22 -2.837 5.870 6.984
178 1HG2 ILE 22 1HG2 ILE 22 -6.213 7.080 7.973
179 2HG2 ILE 22 2HG2 ILE 22 -5.931 7.697 6.344
180 3HG2 ILE 22 3HG2 ILE 22 -4.650 7.783 7.551
181 1HD1 ILE 22 1HD1 ILE 22 -3.705 5.105 4.211
182 2HD1 ILE 22 2HD1 ILE 22 -3.782 3.913 5.509
183 3HD1 ILE 22 3HD1 ILE 22 -2.239 4.652 5.081
184 H THR 23 H THR 23 -2.725 4.139 8.872
185 HA THR 23 HA THR 23 -2.559 6.360 10.806
186 HB THR 23 HB THR 23 -1.738 3.555 11.549
187 HG1 THR 23 HG1 THR 23 -4.175 4.794 12.256
188 1HG2 THR 23 1HG2 THR 23 -2.219 4.617 13.855
189 2HG2 THR 23 2HG2 THR 23 -2.227 6.157 12.997
190 3HG2 THR 23 3HG2 THR 23 -0.775 5.158 12.999
191 H GLU 24 H GLU 24 -0.432 6.879 11.486
192 HA GLU 24 HA GLU 24 1.481 7.134 9.552
193 1HB GLU 24 2HB GLU 24 2.988 7.794 11.250
194 2HB GLU 24 1HB GLU 24 1.394 8.186 11.891
195 1HG GLU 24 2HG GLU 24 1.420 5.897 13.016
196 2HG GLU 24 1HG GLU 24 3.125 5.797 12.582
197 H GLU 25 H GLU 25 1.123 4.453 11.830
198 HA GLU 25 HA GLU 25 3.505 3.085 11.270
199 1HB GLU 25 2HB GLU 25 0.849 1.820 11.973
200 2HB GLU 25 1HB GLU 25 2.462 1.181 12.300
201 1HG GLU 25 2HG GLU 25 2.881 3.296 13.667
202 2HG GLU 25 1HG GLU 25 1.156 3.623 13.522
203 H GLU 26 H GLU 26 0.242 2.500 9.924
204 HA GLU 26 HA GLU 26 1.107 0.605 7.999
205 1HB GLU 26 2HB GLU 26 -1.305 2.389 7.667
206 2HB GLU 26 1HB GLU 26 -1.074 0.739 7.090
207 1HG GLU 26 2HG GLU 26 -0.777 0.219 9.672
208 2HG GLU 26 1HG GLU 26 -1.701 1.709 9.857
209 H LYS 27 H LYS 27 0.696 4.112 7.938
210 HA LYS 27 HA LYS 27 0.985 4.626 5.221
211 1HB LYS 27 2HB LYS 27 0.504 6.299 7.080
212 2HB LYS 27 1HB LYS 27 2.237 6.308 7.403
213 1HG LYS 27 2HG LYS 27 2.091 8.070 5.900
214 2HG LYS 27 1HG LYS 27 2.391 6.737 4.789
215 1HD LYS 27 2HD LYS 27 0.539 7.651 3.761
216 2HD LYS 27 1HD LYS 27 -0.280 6.559 4.879
217 1HE LYS 27 2HE LYS 27 -1.403 8.526 5.353
218 2HE LYS 27 1HE LYS 27 -0.087 8.643 6.518
219 1HZ LYS 27 1HZ LYS 27 -0.038 9.826 3.795
220 2HZ LYS 27 2HZ LYS 27 1.138 10.021 5.007
221 3HZ LYS 27 3HZ LYS 27 -0.413 10.687 5.207
222 H ALA 28 H ALA 28 3.487 4.165 7.699
223 HA ALA 28 HA ALA 28 5.737 4.630 6.069
224 1HB ALA 28 1HB ALA 28 6.714 2.847 7.825
225 2HB ALA 28 2HB ALA 28 5.214 3.255 8.658
226 3HB ALA 28 3HB ALA 28 6.378 4.521 8.270
227 H GLU 29 H GLU 29 4.094 1.599 6.949
228 HA GLU 29 HA GLU 29 5.670 -0.156 5.434
229 1HB GLU 29 2HB GLU 29 3.849 -0.671 7.187
230 2HB GLU 29 1HB GLU 29 2.705 -0.525 5.856
231 1HG GLU 29 2HG GLU 29 5.123 -2.331 5.708
232 2HG GLU 29 1HG GLU 29 3.577 -2.881 6.351
233 H GLN 30 H GLN 30 2.377 0.891 4.581
234 HA GLN 30 HA GLN 30 2.306 0.038 1.966
235 1HB GLN 30 2HB GLN 30 1.023 2.600 2.921
236 2HB GLN 30 1HB GLN 30 0.457 1.524 1.644
237 1HG GLN 30 2HG GLN 30 0.751 -0.088 3.956
238 2HG GLN 30 1HG GLN 30 -0.050 1.387 4.487
239 1HE2 GLN 30 1HE2 GLN 30 -0.269 -0.849 1.652
240 2HE2 GLN 30 2HE2 GLN 30 -1.965 -0.879 1.631
241 H GLN 31 H GLN 31 4.111 2.715 3.228
242 HA GLN 31 HA GLN 31 4.285 4.400 1.011
243 1HB GLN 31 2HB GLN 31 5.226 4.845 3.306
244 2HB GLN 31 1HB GLN 31 6.574 3.788 2.888
245 1HG GLN 31 2HG GLN 31 7.323 5.224 1.167
246 2HG GLN 31 1HG GLN 31 5.788 6.083 1.097
247 1HE2 GLN 31 1HE2 GLN 31 8.111 7.604 1.374
248 2HE2 GLN 31 2HE2 GLN 31 8.187 8.253 2.943
249 H LYS 32 H LYS 32 6.310 1.588 1.829
250 HA LYS 32 HA LYS 32 8.097 1.753 -0.332
251 1HB LYS 32 2HB LYS 32 7.187 -0.429 1.499
252 2HB LYS 32 1HB LYS 32 8.123 -0.866 0.071
253 1HG LYS 32 2HG LYS 32 9.583 -0.480 2.032
254 2HG LYS 32 1HG LYS 32 9.912 0.674 0.744
255 1HD LYS 32 2HD LYS 32 8.579 2.379 1.870
256 2HD LYS 32 1HD LYS 32 8.104 1.228 3.120
257 1HE LYS 32 2HE LYS 32 10.886 2.295 2.570
258 2HE LYS 32 1HE LYS 32 9.908 2.562 4.010
259 1HZ LYS 32 1HZ LYS 32 11.050 0.832 4.809
260 2HZ LYS 32 2HZ LYS 32 11.527 0.286 3.273
261 3HZ LYS 32 3HZ LYS 32 9.995 -0.120 3.885
262 H LEU 33 H LEU 33 5.488 -0.638 -0.031
263 HA LEU 33 HA LEU 33 5.436 -1.511 -2.651
264 1HB LEU 33 2HB LEU 33 2.726 -1.380 -1.673
265 2HB LEU 33 1HB LEU 33 3.755 -2.790 -1.892
266 HG LEU 33 HG LEU 33 3.856 -0.959 0.530
267 1HD1 LEU 33 1HD1 LEU 33 2.833 -3.052 1.632
268 2HD1 LEU 33 2HD1 LEU 33 2.407 -3.550 -0.001
269 3HD1 LEU 33 3HD1 LEU 33 1.761 -2.049 0.657
270 1HD2 LEU 33 1HD2 LEU 33 5.554 -2.284 1.321
271 2HD2 LEU 33 2HD2 LEU 33 5.816 -2.628 -0.386
272 3HD2 LEU 33 3HD2 LEU 33 4.884 -3.749 0.605
273 H ARG 34 H ARG 34 3.809 1.290 -1.231
274 HA ARG 34 HA ARG 34 2.247 2.008 -3.467
275 1HB ARG 34 2HB ARG 34 1.771 3.047 -1.363
276 2HB ARG 34 1HB ARG 34 3.421 3.655 -1.218
277 1HG ARG 34 2HG ARG 34 3.105 5.290 -2.867
278 2HG ARG 34 1HG ARG 34 1.735 4.439 -3.583
279 1HD ARG 34 2HD ARG 34 1.109 6.496 -2.253
280 2HD ARG 34 1HD ARG 34 0.303 5.017 -1.738
281 HE ARG 34 HE ARG 34 1.410 5.195 0.293
282 1HH1 ARG 34 1HH2 ARG 34 2.966 7.149 -2.108
283 2HH1 ARG 34 2HH2 ARG 34 4.038 7.914 -0.984
284 1HH2 ARG 34 1HH1 ARG 34 2.816 6.181 1.765
285 2HH2 ARG 34 2HH1 ARG 34 3.956 7.364 1.212
286 H GLN 35 H GLN 35 5.513 2.981 -2.458
287 HA GLN 35 HA GLN 35 6.029 4.791 -4.537
288 1HB GLN 35 2HB GLN 35 7.414 4.219 -2.391
289 2HB GLN 35 1HB GLN 35 8.196 3.030 -3.434
290 1HG GLN 35 2HG GLN 35 9.541 4.937 -3.725
291 2HG GLN 35 1HG GLN 35 8.458 5.004 -5.112
292 1HE2 GLN 35 1HE2 GLN 35 9.686 7.382 -4.158
293 2HE2 GLN 35 2HE2 GLN 35 8.495 8.373 -3.466
294 H GLU 36 H GLU 36 6.096 1.291 -4.444
295 HA GLU 36 HA GLU 36 7.611 0.840 -6.794
296 1HB GLU 36 2HB GLU 36 6.599 -0.792 -4.899
297 2HB GLU 36 1HB GLU 36 5.387 -1.032 -6.154
298 1HG GLU 36 2HG GLU 36 8.363 -1.249 -6.677
299 2HG GLU 36 1HG GLU 36 7.366 -2.630 -6.230
300 H TYR 37 H TYR 37 4.068 0.745 -6.304
301 HA TYR 37 HA TYR 37 3.282 0.486 -8.945
302 1HB TYR 37 2HB TYR 37 1.870 0.526 -6.750
303 2HB TYR 37 1HB TYR 37 1.727 2.254 -7.077
304 HD1 TYR 37 HD1 TYR 37 0.889 2.988 -9.380
305 HD2 TYR 37 HD2 TYR 37 0.558 -1.046 -7.941
306 HE1 TYR 37 HE1 TYR 37 -0.849 2.521 -11.084
307 HE2 TYR 37 HE2 TYR 37 -1.181 -1.511 -9.648
308 HH TYR 37 HH TYR 37 -1.971 0.833 -12.149
309 H LEU 38 H LEU 38 3.630 3.553 -7.132
310 HA LEU 38 HA LEU 38 3.056 5.288 -9.255
311 1HB LEU 38 2HB LEU 38 4.993 5.834 -6.995
312 2HB LEU 38 1HB LEU 38 4.119 7.023 -7.957
313 HG LEU 38 HG LEU 38 2.904 4.996 -6.059
314 1HD1 LEU 38 1HD1 LEU 38 3.674 6.760 -4.737
315 2HD1 LEU 38 2HD1 LEU 38 2.033 7.281 -5.112
316 3HD1 LEU 38 3HD1 LEU 38 3.400 7.959 -5.999
317 1HD2 LEU 38 1HD2 LEU 38 0.817 6.508 -6.683
318 2HD2 LEU 38 2HD2 LEU 38 1.258 5.133 -7.696
319 3HD2 LEU 38 3HD2 LEU 38 1.721 6.767 -8.175
320 H LYS 39 H LYS 39 6.295 4.270 -8.077
321 HA LYS 39 HA LYS 39 7.710 5.561 -10.164
322 1HB LYS 39 2HB LYS 39 8.607 4.614 -7.928
323 2HB LYS 39 1HB LYS 39 8.708 3.076 -8.785
324 1HG LYS 39 2HG LYS 39 10.109 4.150 -10.526
325 2HG LYS 39 1HG LYS 39 10.025 5.674 -9.643
326 1HD LYS 39 2HD LYS 39 12.009 4.877 -8.788
327 2HD LYS 39 1HD LYS 39 10.900 4.124 -7.642
328 1HE LYS 39 2HE LYS 39 10.868 2.225 -9.545
329 2HE LYS 39 1HE LYS 39 12.470 2.890 -9.856
330 1HZ LYS 39 1HZ LYS 39 12.653 1.146 -8.254
331 2HZ LYS 39 2HZ LYS 39 11.450 1.838 -7.276
332 3HZ LYS 39 3HZ LYS 39 12.948 2.617 -7.465
333 H GLY 40 H GLY 40 5.706 2.856 -10.180
334 1HA GLY 40 2HA GLY 40 7.006 1.571 -12.474
335 2HA GLY 40 1HA GLY 40 5.623 0.952 -11.574
336 H PHE 41 H PHE 41 4.717 3.984 -11.845
337 HA PHE 41 HA PHE 41 2.777 3.569 -13.832
338 1HB PHE 41 2HB PHE 41 3.019 5.405 -11.931
339 2HB PHE 41 1HB PHE 41 3.738 6.341 -13.240
340 HD1 PHE 41 HD1 PHE 41 2.415 7.063 -15.154
341 HD2 PHE 41 HD2 PHE 41 0.677 4.654 -12.048
342 HE1 PHE 41 HE1 PHE 41 0.149 7.551 -16.041
343 HE2 PHE 41 HE2 PHE 41 -1.588 5.143 -12.935
344 HZ PHE 41 HZ PHE 41 -1.851 6.594 -14.931
345 H ARG 42 H ARG 42 2.591 4.385 -15.957
346 HA ARG 42 HA ARG 42 4.949 4.192 -17.519
347 1HB ARG 42 2HB ARG 42 2.133 5.081 -18.133
348 2HB ARG 42 1HB ARG 42 3.394 5.045 -19.363
349 1HG ARG 42 2HG ARG 42 3.205 2.589 -17.732
350 2HG ARG 42 1HG ARG 42 1.797 2.909 -18.743
351 1HD ARG 42 2HD ARG 42 3.713 1.550 -19.800
352 2HD ARG 42 1HD ARG 42 3.074 2.901 -20.729
353 HE ARG 42 HE ARG 42 5.069 4.096 -20.312
354 1HH1 ARG 42 1HH2 ARG 42 4.973 1.038 -18.674
355 2HH1 ARG 42 2HH2 ARG 42 6.669 1.024 -18.324
356 1HH2 ARG 42 1HH1 ARG 42 7.280 4.081 -19.837
357 2HH2 ARG 42 2HH1 ARG 42 7.974 2.744 -18.986
Start of MODEL 20
1 1H MET 1 1HT MET 1 -0.642 -6.860 -17.508
2 2H MET 1 2HT MET 1 -2.071 -5.941 -17.477
3 3H MET 1 3HT MET 1 -2.004 -7.385 -18.371
4 HA MET 1 HA MET 1 -2.746 -7.023 -15.688
5 1HB MET 1 2HB MET 1 -2.390 -9.499 -17.410
6 2HB MET 1 1HB MET 1 -3.300 -9.432 -15.900
7 1HG MET 1 2HG MET 1 -5.048 -8.271 -16.843
8 2HG MET 1 1HG MET 1 -4.011 -7.433 -17.997
9 1HE MET 1 1HE MET 1 -6.359 -9.105 -20.409
10 2HE MET 1 2HE MET 1 -6.040 -7.725 -19.361
11 3HE MET 1 3HE MET 1 -6.992 -9.080 -18.758
12 H ILE 2 H ILE 2 -2.132 -8.904 -14.099
13 HA ILE 2 HA ILE 2 0.729 -9.517 -14.158
14 HB ILE 2 HB ILE 2 0.426 -8.831 -11.512
15 1HG1 ILE 2 2HG1 ILE 2 -0.434 -6.465 -11.593
16 2HG1 ILE 2 1HG1 ILE 2 -1.052 -6.792 -13.211
17 1HG2 ILE 2 1HG2 ILE 2 1.418 -7.007 -13.722
18 2HG2 ILE 2 2HG2 ILE 2 2.330 -8.369 -13.074
19 3HG2 ILE 2 3HG2 ILE 2 1.934 -6.999 -12.036
20 1HD1 ILE 2 1HD1 ILE 2 -1.788 -8.697 -11.025
21 2HD1 ILE 2 2HD1 ILE 2 -2.721 -8.195 -12.436
22 3HD1 ILE 2 3HD1 ILE 2 -2.577 -7.120 -11.046
23 H SER 3 H SER 3 -2.424 -9.912 -12.624
24 HA SER 3 HA SER 3 -3.417 -11.694 -11.576
25 1HB SER 3 2HB SER 3 -3.109 -13.014 -13.498
26 2HB SER 3 1HB SER 3 -1.362 -13.062 -13.303
27 HG SER 3 HG SER 3 -1.576 -14.505 -11.685
28 H ASN 4 H ASN 4 -0.478 -10.547 -10.800
29 HA ASN 4 HA ASN 4 0.466 -12.516 -8.942
30 1HB ASN 4 2HB ASN 4 1.125 -9.576 -9.212
31 2HB ASN 4 1HB ASN 4 2.000 -10.730 -8.207
32 1HD2 ASN 4 1HD2 ASN 4 2.404 -9.182 -11.028
33 2HD2 ASN 4 2HD2 ASN 4 3.193 -10.378 -11.935
34 H ALA 5 H ALA 5 0.098 -12.716 -6.810
35 HA ALA 5 HA ALA 5 -2.218 -11.580 -5.634
36 1HB ALA 5 1HB ALA 5 -1.104 -13.758 -4.975
37 2HB ALA 5 2HB ALA 5 -1.543 -12.711 -3.624
38 3HB ALA 5 3HB ALA 5 0.133 -12.798 -4.167
39 H LYS 6 H LYS 6 0.755 -10.259 -6.306
40 HA LYS 6 HA LYS 6 1.302 -8.659 -4.039
41 1HB LYS 6 2HB LYS 6 2.827 -9.161 -6.034
42 2HB LYS 6 1HB LYS 6 1.921 -7.921 -6.906
43 1HG LYS 6 2HG LYS 6 2.564 -6.225 -5.330
44 2HG LYS 6 1HG LYS 6 3.228 -7.423 -4.216
45 1HD LYS 6 2HD LYS 6 4.895 -8.051 -5.994
46 2HD LYS 6 1HD LYS 6 4.301 -6.700 -6.958
47 1HE LYS 6 2HE LYS 6 5.450 -6.460 -4.160
48 2HE LYS 6 1HE LYS 6 6.323 -6.088 -5.645
49 1HZ LYS 6 1HZ LYS 6 5.442 -4.072 -4.792
50 2HZ LYS 6 2HZ LYS 6 3.891 -4.743 -4.605
51 3HZ LYS 6 3HZ LYS 6 4.524 -4.475 -6.159
52 H ILE 7 H ILE 7 -0.251 -7.827 -7.151
53 HA ILE 7 HA ILE 7 -1.026 -5.223 -6.444
54 HB ILE 7 HB ILE 7 -1.991 -7.218 -8.469
55 1HG1 ILE 7 2HG1 ILE 7 -1.318 -5.296 -9.974
56 2HG1 ILE 7 1HG1 ILE 7 -0.768 -4.441 -8.534
57 1HG2 ILE 7 1HG2 ILE 7 -3.353 -4.635 -7.671
58 2HG2 ILE 7 2HG2 ILE 7 -4.082 -6.226 -7.900
59 3HG2 ILE 7 3HG2 ILE 7 -3.512 -5.309 -9.294
60 1HD1 ILE 7 1HD1 ILE 7 0.986 -5.805 -9.855
61 2HD1 ILE 7 2HD1 ILE 7 0.208 -7.227 -9.158
62 3HD1 ILE 7 3HD1 ILE 7 0.940 -6.015 -8.105
63 H ALA 8 H ALA 8 -2.714 -8.321 -6.087
64 HA ALA 8 HA ALA 8 -5.158 -7.379 -5.106
65 1HB ALA 8 1HB ALA 8 -5.601 -9.578 -4.511
66 2HB ALA 8 2HB ALA 8 -3.939 -9.887 -4.006
67 3HB ALA 8 3HB ALA 8 -4.338 -9.801 -5.722
68 H ARG 9 H ARG 9 -2.114 -8.070 -3.432
69 HA ARG 9 HA ARG 9 -3.040 -7.728 -0.790
70 1HB ARG 9 2HB ARG 9 -0.821 -8.714 -1.484
71 2HB ARG 9 1HB ARG 9 -0.263 -7.070 -1.793
72 1HG ARG 9 2HG ARG 9 -1.158 -6.624 0.651
73 2HG ARG 9 1HG ARG 9 -0.974 -8.369 0.819
74 1HD ARG 9 2HD ARG 9 1.369 -8.249 0.254
75 2HD ARG 9 1HD ARG 9 1.227 -6.549 -0.186
76 HE ARG 9 HE ARG 9 0.442 -7.020 2.534
77 1HH1 ARG 9 1HH2 ARG 9 3.140 -6.652 0.392
78 2HH1 ARG 9 2HH2 ARG 9 4.210 -6.063 1.620
79 1HH2 ARG 9 1HH1 ARG 9 1.838 -6.245 4.144
80 2HH2 ARG 9 2HH1 ARG 9 3.472 -5.832 3.744
81 H ILE 10 H ILE 10 -0.873 -5.430 -2.436
82 HA ILE 10 HA ILE 10 -1.289 -3.240 -0.839
83 HB ILE 10 HB ILE 10 -0.793 -3.344 -3.822
84 1HG1 ILE 10 2HG1 ILE 10 1.156 -2.647 -1.624
85 2HG1 ILE 10 1HG1 ILE 10 0.857 -4.327 -2.068
86 1HG2 ILE 10 1HG2 ILE 10 0.149 -0.979 -3.327
87 2HG2 ILE 10 2HG2 ILE 10 -0.854 -1.033 -1.877
88 3HG2 ILE 10 3HG2 ILE 10 -1.601 -1.148 -3.472
89 1HD1 ILE 10 1HD1 ILE 10 2.771 -3.489 -3.332
90 2HD1 ILE 10 2HD1 ILE 10 1.820 -2.124 -3.917
91 3HD1 ILE 10 3HD1 ILE 10 1.422 -3.762 -4.435
92 H ASN 11 H ASN 11 -3.277 -4.317 -3.562
93 HA ASN 11 HA ASN 11 -4.985 -2.097 -3.750
94 1HB ASN 11 2HB ASN 11 -5.024 -3.773 -5.470
95 2HB ASN 11 1HB ASN 11 -5.450 -5.031 -4.315
96 1HD2 ASN 11 1HD2 ASN 11 -7.515 -5.603 -5.120
97 2HD2 ASN 11 2HD2 ASN 11 -8.814 -4.515 -5.223
98 H GLU 12 H GLU 12 -5.642 -5.201 -2.096
99 HA GLU 12 HA GLU 12 -7.954 -4.321 -0.747
100 1HB GLU 12 2HB GLU 12 -7.042 -6.728 -1.101
101 2HB GLU 12 1HB GLU 12 -6.120 -6.428 0.371
102 1HG GLU 12 2HG GLU 12 -8.030 -7.262 1.341
103 2HG GLU 12 1HG GLU 12 -8.518 -5.574 1.221
104 H LEU 13 H LEU 13 -4.557 -4.463 0.282
105 HA LEU 13 HA LEU 13 -4.883 -3.642 2.941
106 1HB LEU 13 2HB LEU 13 -2.764 -4.441 1.543
107 2HB LEU 13 1HB LEU 13 -2.498 -2.706 1.400
108 HG LEU 13 HG LEU 13 -2.889 -4.204 4.012
109 1HD1 LEU 13 1HD1 LEU 13 -0.552 -4.008 4.354
110 2HD1 LEU 13 2HD1 LEU 13 -0.369 -2.853 3.035
111 3HD1 LEU 13 3HD1 LEU 13 -0.704 -4.549 2.684
112 1HD2 LEU 13 1HD2 LEU 13 -1.865 -1.876 4.781
113 2HD2 LEU 13 2HD2 LEU 13 -3.599 -2.045 4.513
114 3HD2 LEU 13 3HD2 LEU 13 -2.584 -1.310 3.273
115 H ALA 14 H ALA 14 -4.243 -1.701 0.026
116 HA ALA 14 HA ALA 14 -4.074 0.814 1.185
117 1HB ALA 14 1HB ALA 14 -4.841 1.678 -1.028
118 2HB ALA 14 2HB ALA 14 -5.231 0.023 -1.498
119 3HB ALA 14 3HB ALA 14 -3.559 0.474 -1.158
120 H ALA 15 H ALA 15 -7.001 -0.549 -0.347
121 HA ALA 15 HA ALA 15 -8.761 1.443 0.562
122 1HB ALA 15 1HB ALA 15 -9.514 -1.429 0.007
123 2HB ALA 15 2HB ALA 15 -9.182 -0.256 -1.267
124 3HB ALA 15 3HB ALA 15 -10.528 0.004 -0.156
125 H LYS 16 H LYS 16 -7.721 -1.583 2.046
126 HA LYS 16 HA LYS 16 -9.626 -1.662 4.132
127 1HB LYS 16 2HB LYS 16 -8.206 -3.595 3.517
128 2HB LYS 16 1HB LYS 16 -6.795 -2.741 4.143
129 1HG LYS 16 2HG LYS 16 -7.692 -2.729 6.376
130 2HG LYS 16 1HG LYS 16 -9.259 -3.310 5.810
131 1HD LYS 16 2HD LYS 16 -8.153 -5.419 5.047
132 2HD LYS 16 1HD LYS 16 -6.644 -4.845 5.757
133 1HE LYS 16 2HE LYS 16 -7.867 -4.626 7.959
134 2HE LYS 16 1HE LYS 16 -9.238 -5.439 7.204
135 1HZ LYS 16 1HZ LYS 16 -6.999 -6.952 6.611
136 2HZ LYS 16 2HZ LYS 16 -8.260 -7.348 7.679
137 3HZ LYS 16 3HZ LYS 16 -6.869 -6.562 8.257
138 H ALA 17 H ALA 17 -6.174 -0.834 4.410
139 HA ALA 17 HA ALA 17 -6.347 0.365 6.931
140 1HB ALA 17 1HB ALA 17 -4.375 0.998 4.723
141 2HB ALA 17 2HB ALA 17 -4.231 -0.350 5.851
142 3HB ALA 17 3HB ALA 17 -4.155 1.309 6.444
143 H LYS 18 H LYS 18 -7.288 1.545 3.821
144 HA LYS 18 HA LYS 18 -7.171 4.346 4.611
145 1HB LYS 18 2HB LYS 18 -6.750 3.673 2.269
146 2HB LYS 18 1HB LYS 18 -8.409 3.086 2.153
147 1HG LYS 18 2HG LYS 18 -9.254 5.347 2.645
148 2HG LYS 18 1HG LYS 18 -7.601 5.940 2.796
149 1HD LYS 18 2HD LYS 18 -8.103 6.509 0.587
150 2HD LYS 18 1HD LYS 18 -7.314 4.945 0.380
151 1HE LYS 18 2HE LYS 18 -9.449 3.816 0.211
152 2HE LYS 18 1HE LYS 18 -10.315 5.293 0.633
153 1HZ LYS 18 1HZ LYS 18 -8.832 4.674 -1.844
154 2HZ LYS 18 2HZ LYS 18 -9.165 6.279 -1.395
155 3HZ LYS 18 3HZ LYS 18 -10.439 5.190 -1.671
156 H ALA 19 H ALA 19 -9.863 2.339 3.388
157 HA ALA 19 HA ALA 19 -11.836 4.067 4.536
158 1HB ALA 19 1HB ALA 19 -13.445 2.425 3.714
159 2HB ALA 19 2HB ALA 19 -12.142 1.272 3.421
160 3HB ALA 19 3HB ALA 19 -12.231 2.760 2.479
161 H GLY 20 H GLY 20 -9.853 1.799 5.966
162 1HA GLY 20 2HA GLY 20 -11.871 0.951 7.942
163 2HA GLY 20 1HA GLY 20 -10.275 0.240 7.735
164 H VAL 21 H VAL 21 -8.406 1.615 8.318
165 HA VAL 21 HA VAL 21 -8.776 3.924 9.985
166 HB VAL 21 HB VAL 21 -7.616 2.691 11.979
167 1HG1 VAL 21 1HG1 VAL 21 -10.096 3.597 11.639
168 2HG1 VAL 21 2HG1 VAL 21 -9.658 2.647 13.057
169 3HG1 VAL 21 3HG1 VAL 21 -10.480 1.877 11.701
170 1HG2 VAL 21 1HG2 VAL 21 -7.234 0.542 10.954
171 2HG2 VAL 21 2HG2 VAL 21 -8.922 0.410 10.463
172 3HG2 VAL 21 3HG2 VAL 21 -8.490 0.320 12.171
173 H ILE 22 H ILE 22 -7.248 4.799 8.553
174 HA ILE 22 HA ILE 22 -4.741 3.570 8.005
175 HB ILE 22 HB ILE 22 -5.781 5.298 6.557
176 1HG1 ILE 22 2HG1 ILE 22 -3.600 6.757 6.436
177 2HG1 ILE 22 1HG1 ILE 22 -3.002 5.641 7.663
178 1HG2 ILE 22 1HG2 ILE 22 -6.466 6.692 8.642
179 2HG2 ILE 22 2HG2 ILE 22 -5.959 7.552 7.189
180 3HG2 ILE 22 3HG2 ILE 22 -4.837 7.364 8.535
181 1HD1 ILE 22 1HD1 ILE 22 -4.149 4.808 4.981
182 2HD1 ILE 22 2HD1 ILE 22 -3.454 3.734 6.195
183 3HD1 ILE 22 3HD1 ILE 22 -2.429 4.898 5.358
184 H THR 23 H THR 23 -3.013 3.394 9.246
185 HA THR 23 HA THR 23 -2.764 5.154 11.612
186 HB THR 23 HB THR 23 -1.182 3.179 12.331
187 HG1 THR 23 HG1 THR 23 -3.000 1.669 10.850
188 1HG2 THR 23 1HG2 THR 23 -3.189 3.744 13.556
189 2HG2 THR 23 2HG2 THR 23 -3.186 2.000 13.290
190 3HG2 THR 23 3HG2 THR 23 -4.208 3.041 12.299
191 H GLU 24 H GLU 24 -0.738 6.007 12.131
192 HA GLU 24 HA GLU 24 0.860 6.957 10.081
193 1HB GLU 24 2HB GLU 24 0.793 7.695 12.531
194 2HB GLU 24 1HB GLU 24 1.914 6.373 12.851
195 1HG GLU 24 2HG GLU 24 3.184 8.420 12.483
196 2HG GLU 24 1HG GLU 24 3.463 7.316 11.138
197 H GLU 25 H GLU 25 1.253 4.033 12.039
198 HA GLU 25 HA GLU 25 3.764 3.216 11.077
199 1HB GLU 25 2HB GLU 25 1.410 1.656 12.154
200 2HB GLU 25 1HB GLU 25 2.949 0.901 11.743
201 1HG GLU 25 2HG GLU 25 2.752 3.264 13.623
202 2HG GLU 25 1HG GLU 25 2.667 1.596 14.186
203 H GLU 26 H GLU 26 0.485 2.330 9.971
204 HA GLU 26 HA GLU 26 1.316 0.690 7.825
205 1HB GLU 26 2HB GLU 26 -1.042 0.980 8.893
206 2HB GLU 26 1HB GLU 26 -1.222 2.304 7.743
207 1HG GLU 26 2HG GLU 26 -2.078 0.428 6.586
208 2HG GLU 26 1HG GLU 26 -0.445 0.607 5.954
209 H LYS 27 H LYS 27 0.701 4.156 8.091
210 HA LYS 27 HA LYS 27 0.738 4.896 5.406
211 1HB LYS 27 2HB LYS 27 0.434 6.297 7.629
212 2HB LYS 27 1HB LYS 27 2.161 6.590 7.430
213 1HG LYS 27 2HG LYS 27 1.164 8.370 6.247
214 2HG LYS 27 1HG LYS 27 1.562 7.208 4.981
215 1HD LYS 27 2HD LYS 27 -0.670 6.523 4.727
216 2HD LYS 27 1HD LYS 27 -1.133 7.113 6.323
217 1HE LYS 27 2HE LYS 27 -1.998 8.575 4.515
218 2HE LYS 27 1HE LYS 27 -0.874 9.434 5.568
219 1HZ LYS 27 1HZ LYS 27 -0.156 9.976 3.452
220 2HZ LYS 27 2HZ LYS 27 -0.444 8.422 2.831
221 3HZ LYS 27 3HZ LYS 27 0.876 8.695 3.867
222 H ALA 28 H ALA 28 3.442 4.452 7.664
223 HA ALA 28 HA ALA 28 5.520 5.179 5.903
224 1HB ALA 28 1HB ALA 28 6.938 3.746 7.449
225 2HB ALA 28 2HB ALA 28 5.450 3.352 8.310
226 3HB ALA 28 3HB ALA 28 6.010 5.022 8.237
227 H GLU 29 H GLU 29 3.987 2.052 6.590
228 HA GLU 29 HA GLU 29 5.642 0.416 5.021
229 1HB GLU 29 2HB GLU 29 3.918 -0.399 6.633
230 2HB GLU 29 1HB GLU 29 2.668 0.085 5.487
231 1HG GLU 29 2HG GLU 29 3.775 -1.403 3.776
232 2HG GLU 29 1HG GLU 29 4.834 -1.990 5.057
233 H GLN 30 H GLN 30 2.409 1.641 4.149
234 HA GLN 30 HA GLN 30 2.369 0.939 1.482
235 1HB GLN 30 2HB GLN 30 1.228 3.532 2.535
236 2HB GLN 30 1HB GLN 30 0.641 2.561 1.186
237 1HG GLN 30 2HG GLN 30 0.675 0.771 3.325
238 2HG GLN 30 1HG GLN 30 0.106 2.276 4.044
239 1HE2 GLN 30 1HE2 GLN 30 -0.708 -0.289 1.781
240 2HE2 GLN 30 2HE2 GLN 30 -2.286 0.245 1.461
241 H GLN 31 H GLN 31 4.162 3.517 2.997
242 HA GLN 31 HA GLN 31 4.592 5.247 0.861
243 1HB GLN 31 2HB GLN 31 5.361 5.483 3.293
244 2HB GLN 31 1HB GLN 31 6.753 4.505 2.829
245 1HG GLN 31 2HG GLN 31 7.267 6.135 1.024
246 2HG GLN 31 1HG GLN 31 5.923 7.135 1.573
247 1HE2 GLN 31 1HE2 GLN 31 9.260 6.582 1.987
248 2HE2 GLN 31 2HE2 GLN 31 9.463 7.439 3.437
249 H LYS 32 H LYS 32 6.672 2.506 1.842
250 HA LYS 32 HA LYS 32 8.442 2.662 -0.336
251 1HB LYS 32 2HB LYS 32 8.828 1.361 1.768
252 2HB LYS 32 1HB LYS 32 7.672 0.162 1.187
253 1HG LYS 32 2HG LYS 32 9.045 -0.283 -0.776
254 2HG LYS 32 1HG LYS 32 10.157 1.011 -0.331
255 1HD LYS 32 2HD LYS 32 10.965 -0.174 1.554
256 2HD LYS 32 1HD LYS 32 9.608 -1.299 1.535
257 1HE LYS 32 2HE LYS 32 11.715 -2.306 0.640
258 2HE LYS 32 1HE LYS 32 10.403 -2.301 -0.537
259 1HZ LYS 32 1HZ LYS 32 12.581 -1.533 -1.412
260 2HZ LYS 32 2HZ LYS 32 12.478 -0.189 -0.378
261 3HZ LYS 32 3HZ LYS 32 11.324 -0.409 -1.606
262 H LEU 33 H LEU 33 5.725 0.389 0.151
263 HA LEU 33 HA LEU 33 5.820 -0.850 -2.340
264 1HB LEU 33 2HB LEU 33 3.411 -0.283 -0.594
265 2HB LEU 33 1HB LEU 33 3.432 -1.416 -1.946
266 HG LEU 33 HG LEU 33 5.376 -1.607 0.368
267 1HD1 LEU 33 1HD1 LEU 33 3.932 -3.235 1.392
268 2HD1 LEU 33 2HD1 LEU 33 2.825 -3.204 0.020
269 3HD1 LEU 33 3HD1 LEU 33 2.948 -1.804 1.086
270 1HD2 LEU 33 1HD2 LEU 33 5.449 -4.004 -0.477
271 2HD2 LEU 33 2HD2 LEU 33 6.113 -2.807 -1.587
272 3HD2 LEU 33 3HD2 LEU 33 4.502 -3.468 -1.863
273 H ARG 34 H ARG 34 3.903 1.999 -1.363
274 HA ARG 34 HA ARG 34 2.643 2.445 -3.833
275 1HB ARG 34 2HB ARG 34 1.980 3.567 -1.729
276 2HB ARG 34 1HB ARG 34 3.472 4.507 -1.774
277 1HG ARG 34 2HG ARG 34 2.785 5.772 -3.602
278 2HG ARG 34 1HG ARG 34 1.680 4.524 -4.179
279 1HD ARG 34 2HD ARG 34 0.376 6.360 -3.258
280 2HD ARG 34 1HD ARG 34 0.218 4.959 -2.203
281 HE ARG 34 HE ARG 34 1.305 6.158 -0.539
282 1HH1 ARG 34 1HH2 ARG 34 1.806 7.639 -3.636
283 2HH1 ARG 34 2HH2 ARG 34 2.574 9.048 -2.986
284 1HH2 ARG 34 1HH1 ARG 34 2.310 8.006 0.308
285 2HH2 ARG 34 2HH1 ARG 34 2.857 9.257 -0.758
286 H GLN 35 H GLN 35 5.743 3.606 -2.560
287 HA GLN 35 HA GLN 35 6.412 5.334 -4.683
288 1HB GLN 35 2HB GLN 35 7.586 5.243 -2.483
289 2HB GLN 35 1HB GLN 35 8.301 3.705 -2.963
290 1HG GLN 35 2HG GLN 35 9.476 4.731 -4.793
291 2HG GLN 35 1HG GLN 35 8.599 6.245 -4.585
292 1HE2 GLN 35 1HE2 GLN 35 9.491 7.772 -3.155
293 2HE2 GLN 35 2HE2 GLN 35 10.811 7.459 -2.135
294 H GLU 36 H GLU 36 7.229 1.916 -4.119
295 HA GLU 36 HA GLU 36 8.654 1.542 -6.544
296 1HB GLU 36 2HB GLU 36 8.655 0.063 -4.442
297 2HB GLU 36 1HB GLU 36 7.161 -0.627 -5.074
298 1HG GLU 36 2HG GLU 36 8.776 -2.060 -5.974
299 2HG GLU 36 1HG GLU 36 8.529 -0.913 -7.288
300 H TYR 37 H TYR 37 5.291 0.914 -5.598
301 HA TYR 37 HA TYR 37 4.356 -0.311 -7.911
302 1HB TYR 37 2HB TYR 37 3.028 -0.100 -5.853
303 2HB TYR 37 1HB TYR 37 2.891 1.638 -6.113
304 HD1 TYR 37 HD1 TYR 37 1.788 -1.688 -7.222
305 HD2 TYR 37 HD2 TYR 37 1.532 2.538 -7.962
306 HE1 TYR 37 HE1 TYR 37 -0.173 -2.062 -8.690
307 HE2 TYR 37 HE2 TYR 37 -0.428 2.162 -9.430
308 HH TYR 37 HH TYR 37 -2.238 -0.514 -9.427
309 H LEU 38 H LEU 38 4.450 3.169 -7.135
310 HA LEU 38 HA LEU 38 3.320 4.137 -9.505
311 1HB LEU 38 2HB LEU 38 4.776 5.221 -7.251
312 2HB LEU 38 1HB LEU 38 5.315 5.982 -8.744
313 HG LEU 38 HG LEU 38 3.398 7.188 -7.735
314 1HD1 LEU 38 1HD1 LEU 38 2.324 7.580 -9.762
315 2HD1 LEU 38 2HD1 LEU 38 2.316 5.874 -10.209
316 3HD1 LEU 38 3HD1 LEU 38 3.810 6.806 -10.313
317 1HD2 LEU 38 1HD2 LEU 38 1.456 6.165 -7.106
318 2HD2 LEU 38 2HD2 LEU 38 2.454 4.711 -7.065
319 3HD2 LEU 38 3HD2 LEU 38 1.470 5.067 -8.485
320 H LYS 39 H LYS 39 6.699 3.401 -8.705
321 HA LYS 39 HA LYS 39 7.795 4.224 -11.198
322 1HB LYS 39 2HB LYS 39 9.084 3.873 -9.059
323 2HB LYS 39 1HB LYS 39 8.910 2.136 -9.310
324 1HG LYS 39 2HG LYS 39 9.978 2.435 -11.577
325 2HG LYS 39 1HG LYS 39 10.302 4.112 -11.140
326 1HD LYS 39 2HD LYS 39 11.160 1.945 -9.252
327 2HD LYS 39 1HD LYS 39 12.121 2.234 -10.702
328 1HE LYS 39 2HE LYS 39 12.273 4.645 -10.081
329 2HE LYS 39 1HE LYS 39 11.405 4.288 -8.589
330 1HZ LYS 39 1HZ LYS 39 14.145 3.664 -9.339
331 2HZ LYS 39 2HZ LYS 39 13.316 2.461 -8.470
332 3HZ LYS 39 3HZ LYS 39 13.487 4.018 -7.815
333 H GLY 40 H GLY 40 6.440 1.215 -9.993
334 1HA GLY 40 2HA GLY 40 7.187 -0.329 -12.328
335 2HA GLY 40 1HA GLY 40 6.184 -0.870 -10.986
336 H PHE 41 H PHE 41 5.077 2.097 -12.032
337 HA PHE 41 HA PHE 41 2.608 1.117 -12.971
338 1HB PHE 41 2HB PHE 41 2.781 3.344 -12.041
339 2HB PHE 41 1HB PHE 41 3.927 3.824 -13.292
340 HD1 PHE 41 HD1 PHE 41 0.420 2.643 -12.765
341 HD2 PHE 41 HD2 PHE 41 3.177 4.664 -15.369
342 HE1 PHE 41 HE1 PHE 41 -1.459 3.310 -14.239
343 HE2 PHE 41 HE2 PHE 41 1.297 5.329 -16.841
344 HZ PHE 41 HZ PHE 41 -1.022 4.652 -16.277
345 H ARG 42 H ARG 42 5.606 1.191 -14.514
346 HA ARG 42 HA ARG 42 4.360 0.519 -17.069
347 1HB ARG 42 2HB ARG 42 5.750 2.078 -18.345
348 2HB ARG 42 1HB ARG 42 4.727 2.957 -17.209
349 1HG ARG 42 2HG ARG 42 6.724 2.849 -15.586
350 2HG ARG 42 1HG ARG 42 7.683 2.370 -16.986
351 1HD ARG 42 2HD ARG 42 6.274 4.975 -16.467
352 2HD ARG 42 1HD ARG 42 7.939 4.701 -16.961
353 HE ARG 42 HE ARG 42 5.613 4.829 -18.696
354 1HH1 ARG 42 1HH2 ARG 42 8.893 3.772 -18.285
355 2HH1 ARG 42 2HH2 ARG 42 9.227 3.725 -19.984
356 1HH2 ARG 42 1HH1 ARG 42 6.056 4.765 -20.915
357 2HH2 ARG 42 2HH1 ARG 42 7.625 4.285 -21.469