Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11445 | 1rim RC | 6063 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H TYR 1 H TYR 1 -13.474 12.695 2.740
2 HA TYR 1 HA TYR 1 -13.051 11.100 1.155
3 1HB TYR 1 1HB TYR 1 -14.651 10.773 -0.767
4 2HB TYR 1 2HB TYR 1 -15.255 10.241 0.796
5 HD1 TYR 1 HD1 TYR 1 -17.148 11.308 1.824
6 HD2 TYR 1 HD2 TYR 1 -15.558 12.804 -1.830
7 HE1 TYR 1 HE1 TYR 1 -19.153 12.697 1.526
8 HE2 TYR 1 HE2 TYR 1 -17.560 14.197 -2.135
9 HH TYR 1 HH TYR 1 -20.268 13.808 -0.968
10 H LYS 2 H LYS 2 -11.903 11.521 -0.729
11 HA LYS 2 HA LYS 2 -12.256 13.749 -2.406
12 1HB LYS 2 1HB LYS 2 -11.488 14.803 -0.162
13 2HB LYS 2 2HB LYS 2 -9.905 14.162 -0.579
14 1HG LYS 2 1HG LYS 2 -10.502 15.416 -2.876
15 2HG LYS 2 2HG LYS 2 -11.409 16.416 -1.739
16 1HD LYS 2 1HD LYS 2 -9.092 16.218 -0.402
17 2HD LYS 2 2HD LYS 2 -8.488 16.057 -2.052
18 1HE LYS 2 1HE LYS 2 -9.655 18.144 -2.653
19 2HE LYS 2 2HE LYS 2 -10.181 18.311 -0.979
20 1HZ LYS 2 1HZ LYS 2 -8.236 19.656 -1.400
21 2HZ LYS 2 2HZ LYS 2 -7.366 18.306 -1.929
22 3HZ LYS 2 3HZ LYS 2 -7.848 18.419 -0.312
23 H PHE 3 H PHE 3 -9.820 11.631 -0.911
24 HA PHE 3 HA PHE 3 -8.418 11.426 -3.484
25 1HB PHE 3 1HB PHE 3 -7.485 11.707 -0.885
26 2HB PHE 3 2HB PHE 3 -7.255 9.998 -1.223
27 HD1 PHE 3 HD1 PHE 3 -6.782 13.192 -3.105
28 HD2 PHE 3 HD2 PHE 3 -5.150 9.460 -1.886
29 HE1 PHE 3 HE1 PHE 3 -4.701 13.711 -4.306
30 HE2 PHE 3 HE2 PHE 3 -3.067 9.960 -3.083
31 HZ PHE 3 HZ PHE 3 -2.839 12.095 -4.302
32 H ALA 4 H ALA 4 -7.269 9.028 -3.443
33 HA ALA 4 HA ALA 4 -8.940 6.882 -2.654
34 1HB ALA 4 1HB ALA 4 -8.997 7.664 -5.559
35 2HB ALA 4 2HB ALA 4 -10.364 7.546 -4.450
36 3HB ALA 4 3HB ALA 4 -9.506 6.088 -4.951
37 H CYS 5 H CYS 5 -7.544 5.330 -2.198
38 HA CYS 5 HA CYS 5 -4.858 5.296 -2.888
39 1HB CYS 5 1HB CYS 5 -6.666 3.018 -2.068
40 2HB CYS 5 2HB CYS 5 -4.909 2.910 -2.135
41 HG CYS 5 HG CYS 5 -6.110 3.569 0.287
42 HA PRO 6 HA PRO 6 -4.792 3.701 -7.026
43 1HB PRO 6 1HB PRO 6 -2.281 2.692 -7.096
44 2HB PRO 6 2HB PRO 6 -2.611 4.429 -7.114
45 1HG PRO 6 1HG PRO 6 -1.800 2.678 -4.825
46 2HG PRO 6 2HG PRO 6 -1.220 4.298 -5.255
47 1HD PRO 6 1HD PRO 6 -3.064 3.859 -3.311
48 2HD PRO 6 2HD PRO 6 -3.034 5.337 -4.293
49 H GLU 7 H GLU 7 -4.369 1.692 -4.236
50 HA GLU 7 HA GLU 7 -4.570 -0.752 -5.842
51 1HB GLU 7 1HB GLU 7 -3.633 -0.157 -3.067
52 2HB GLU 7 2HB GLU 7 -4.223 -1.769 -3.439
53 1HG GLU 7 1HG GLU 7 -2.397 -0.944 -5.473
54 2HG GLU 7 2HG GLU 7 -1.662 -0.697 -3.890
55 H CYS 8 H CYS 8 -6.094 0.775 -2.973
56 HA CYS 8 HA CYS 8 -8.421 -0.969 -3.411
57 1HB CYS 8 1HB CYS 8 -9.073 -0.579 -1.147
58 2HB CYS 8 2HB CYS 8 -7.403 -1.059 -1.165
59 HG CYS 8 HG CYS 8 -7.247 0.895 0.364
60 HA PRO 9 HA PRO 9 -11.085 2.335 -4.415
61 1HB PRO 9 1HB PRO 9 -13.436 1.361 -3.578
62 2HB PRO 9 2HB PRO 9 -12.519 0.578 -4.870
63 1HG PRO 9 1HG PRO 9 -12.787 -0.195 -2.000
64 2HG PRO 9 2HG PRO 9 -12.705 -1.227 -3.437
65 1HD PRO 9 1HD PRO 9 -10.568 -0.657 -1.729
66 2HD PRO 9 2HD PRO 9 -10.424 -1.295 -3.369
67 H LYS 10 H LYS 10 -10.175 1.934 -1.251
68 HA LYS 10 HA LYS 10 -12.116 3.299 0.228
69 1HB LYS 10 1HB LYS 10 -9.165 2.884 0.621
70 2HB LYS 10 2HB LYS 10 -10.106 3.847 1.749
71 1HG LYS 10 1HG LYS 10 -11.110 1.136 1.080
72 2HG LYS 10 2HG LYS 10 -9.681 1.261 2.106
73 1HD LYS 10 1HD LYS 10 -11.145 1.466 3.792
74 2HD LYS 10 2HD LYS 10 -11.344 3.123 3.220
75 1HE LYS 10 1HE LYS 10 -12.987 1.273 1.720
76 2HE LYS 10 2HE LYS 10 -13.322 1.180 3.448
77 1HZ LYS 10 1HZ LYS 10 -13.316 3.686 1.852
78 2HZ LYS 10 2HZ LYS 10 -13.726 3.542 3.487
79 3HZ LYS 10 3HZ LYS 10 -14.703 2.829 2.304
80 H ARG 11 H ARG 11 -12.670 5.350 0.379
81 HA ARG 11 HA ARG 11 -11.000 7.363 -0.962
82 1HB ARG 11 1HB ARG 11 -13.047 8.742 -1.079
83 2HB ARG 11 2HB ARG 11 -13.227 7.204 -1.908
84 1HG ARG 11 1HG ARG 11 -14.193 6.544 0.519
85 2HG ARG 11 2HG ARG 11 -14.618 8.255 0.464
86 1HD ARG 11 1HD ARG 11 -15.215 6.460 -1.858
87 2HD ARG 11 2HD ARG 11 -16.287 6.500 -0.459
88 HE ARG 11 HE ARG 11 -15.866 9.131 -1.241
89 1HH1 ARG 11 1HH1 ARG 11 -17.315 6.238 -2.576
90 2HH1 ARG 11 2HH1 ARG 11 -18.456 7.109 -3.543
91 1HH2 ARG 11 1HH2 ARG 11 -17.372 10.273 -2.515
92 2HH2 ARG 11 2HH2 ARG 11 -18.490 9.400 -3.510
93 H PHE 12 H PHE 12 -9.806 8.572 0.337
94 HA PHE 12 HA PHE 12 -10.653 8.951 3.123
95 1HB PHE 12 1HB PHE 12 -7.960 9.598 1.914
96 2HB PHE 12 2HB PHE 12 -8.368 9.559 3.617
97 HD1 PHE 12 HD1 PHE 12 -7.224 7.888 4.664
98 HD2 PHE 12 HD2 PHE 12 -8.858 7.097 0.812
99 HE1 PHE 12 HE1 PHE 12 -6.410 5.570 4.792
100 HE2 PHE 12 HE2 PHE 12 -8.053 4.782 0.941
101 HZ PHE 12 HZ PHE 12 -6.815 4.008 2.930
102 H MET 13 H MET 13 -9.973 11.180 4.045
103 HA MET 13 HA MET 13 -11.308 13.177 2.457
104 1HB MET 13 1HB MET 13 -11.516 12.872 4.976
105 2HB MET 13 2HB MET 13 -9.933 13.628 5.100
106 1HG MET 13 1HG MET 13 -11.575 15.255 3.447
107 2HG MET 13 2HG MET 13 -12.473 14.858 4.911
108 1HE MET 13 1HE MET 13 -12.219 16.408 7.061
109 2HE MET 13 2HE MET 13 -10.595 16.495 7.744
110 3HE MET 13 3HE MET 13 -11.275 14.934 7.282
111 H ARG 14 H ARG 14 -7.968 12.584 3.499
112 HA ARG 14 HA ARG 14 -7.116 14.752 1.686
113 1HB ARG 14 1HB ARG 14 -5.920 14.050 4.373
114 2HB ARG 14 2HB ARG 14 -5.224 15.194 3.237
115 1HG ARG 14 1HG ARG 14 -7.017 16.710 3.516
116 2HG ARG 14 2HG ARG 14 -7.988 15.510 4.372
117 1HD ARG 14 1HD ARG 14 -7.141 16.961 6.031
118 2HD ARG 14 2HD ARG 14 -6.180 15.487 6.132
119 HE ARG 14 HE ARG 14 -5.098 17.646 4.508
120 1HH1 ARG 14 1HH1 ARG 14 -5.067 15.964 7.583
121 2HH1 ARG 14 2HH1 ARG 14 -3.509 16.568 8.033
122 1HH2 ARG 14 1HH2 ARG 14 -3.049 18.434 5.109
123 2HH2 ARG 14 2HH2 ARG 14 -2.363 17.971 6.631
124 H SER 15 H SER 15 -5.113 14.475 0.636
125 HA SER 15 HA SER 15 -4.576 11.928 -0.347
126 1HB SER 15 1HB SER 15 -3.886 13.926 -1.550
127 2HB SER 15 2HB SER 15 -2.769 14.359 -0.257
128 HG SER 15 HG SER 15 -1.789 13.285 -2.089
129 H ASP 16 H ASP 16 -2.991 13.699 2.296
130 HA ASP 16 HA ASP 16 -0.911 11.861 2.747
131 1HB ASP 16 1HB ASP 16 -1.012 12.857 5.154
132 2HB ASP 16 2HB ASP 16 -0.538 13.882 3.806
133 H HIS 17 H HIS 17 -4.259 11.880 3.818
134 HA HIS 17 HA HIS 17 -4.114 9.992 5.877
135 1HB HIS 17 1HB HIS 17 -6.339 10.525 3.896
136 2HB HIS 17 2HB HIS 17 -6.510 9.499 5.313
137 HD1 HIS 17 HD1 HIS 17 -8.447 11.561 5.525
138 HD2 HIS 17 HD2 HIS 17 -4.496 12.386 6.503
139 HE1 HIS 17 HE1 HIS 17 -8.528 13.612 6.978
140 HE2 HIS 17 HE2 HIS 17 -6.136 14.018 7.654
141 H LEU 18 H LEU 18 -3.906 9.613 2.425
142 HA LEU 18 HA LEU 18 -4.168 6.705 2.584
143 1HB LEU 18 1HB LEU 18 -3.637 8.403 0.162
144 2HB LEU 18 2HB LEU 18 -4.099 6.716 0.181
145 HG LEU 18 HG LEU 18 -6.257 7.533 1.310
146 1HD1 LEU 18 1HD1 LEU 18 -5.757 9.751 1.866
147 2HD1 LEU 18 2HD1 LEU 18 -6.835 9.864 0.481
148 3HD1 LEU 18 3HD1 LEU 18 -5.101 10.096 0.267
149 1HD2 LEU 18 1HD2 LEU 18 -6.511 6.638 -0.792
150 2HD2 LEU 18 2HD2 LEU 18 -5.451 7.834 -1.538
151 3HD2 LEU 18 3HD2 LEU 18 -7.079 8.289 -1.037
152 H SER 19 H SER 19 -1.890 9.145 1.356
153 HA SER 19 HA SER 19 0.189 7.711 0.488
154 1HB SER 19 1HB SER 19 0.374 10.095 0.533
155 2HB SER 19 2HB SER 19 0.297 10.139 2.295
156 HG SER 19 HG SER 19 2.362 9.729 2.379
157 H LYS 20 H LYS 20 -0.528 8.139 3.942
158 HA LYS 20 HA LYS 20 1.744 6.534 4.735
159 1HB LYS 20 1HB LYS 20 -0.498 7.899 6.190
160 2HB LYS 20 2HB LYS 20 0.476 6.691 7.019
161 1HG LYS 20 1HG LYS 20 2.438 7.974 6.801
162 2HG LYS 20 2HG LYS 20 1.692 9.051 5.617
163 1HD LYS 20 1HD LYS 20 0.231 8.964 8.132
164 2HD LYS 20 2HD LYS 20 1.899 9.502 8.334
165 1HE LYS 20 1HE LYS 20 0.180 10.652 6.167
166 2HE LYS 20 2HE LYS 20 0.051 11.248 7.821
167 1HZ LYS 20 1HZ LYS 20 2.510 11.221 6.154
168 2HZ LYS 20 2HZ LYS 20 2.441 11.724 7.768
169 3HZ LYS 20 3HZ LYS 20 1.601 12.583 6.579
170 H HIS 21 H HIS 21 -1.715 6.101 4.265
171 HA HIS 21 HA HIS 21 -1.788 3.472 5.421
172 1HB HIS 21 1HB HIS 21 -3.872 4.373 5.624
173 2HB HIS 21 2HB HIS 21 -3.726 5.321 4.152
174 HD1 HIS 21 HD1 HIS 21 -5.677 2.654 5.433
175 HD2 HIS 21 HD2 HIS 21 -3.803 3.372 1.806
176 HE1 HIS 21 HE1 HIS 21 -6.861 1.207 3.724
177 H ILE 22 H ILE 22 -1.392 4.762 2.148
178 HA ILE 22 HA ILE 22 -1.942 2.364 0.791
179 HB ILE 22 HB ILE 22 -0.376 3.365 -1.021
180 1HG1 ILE 22 1HG1 ILE 22 -0.873 6.053 -0.293
181 2HG1 ILE 22 2HG1 ILE 22 -0.088 5.270 1.075
182 1HG2 ILE 22 1HG2 ILE 22 -3.011 4.538 -0.167
183 2HG2 ILE 22 2HG2 ILE 22 -2.717 3.285 -1.372
184 3HG2 ILE 22 3HG2 ILE 22 -2.228 4.949 -1.692
185 1HD1 ILE 22 1HD1 ILE 22 1.463 6.362 -0.533
186 2HD1 ILE 22 2HD1 ILE 22 0.969 5.167 -1.732
187 3HD1 ILE 22 3HD1 ILE 22 1.785 4.651 -0.256
188 H THR 23 H THR 23 1.166 3.673 1.859
189 HA THR 23 HA THR 23 2.807 1.711 0.827
190 HB THR 23 HB THR 23 3.075 3.168 3.468
191 HG1 THR 23 HG1 THR 23 3.252 4.725 2.042
192 1HG2 THR 23 1HG2 THR 23 5.111 1.606 1.905
193 2HG2 THR 23 2HG2 THR 23 4.629 1.388 3.587
194 3HG2 THR 23 3HG2 THR 23 5.534 2.824 3.108
195 H LEU 24 H LEU 24 0.752 1.533 3.678
196 HA LEU 24 HA LEU 24 1.779 -1.118 4.358
197 1HB LEU 24 1HB LEU 24 0.228 -0.966 6.291
198 2HB LEU 24 2HB LEU 24 1.412 0.332 6.233
199 HG LEU 24 HG LEU 24 -0.631 1.440 4.868
200 1HD1 LEU 24 1HD1 LEU 24 -2.246 0.476 7.085
201 2HD1 LEU 24 2HD1 LEU 24 -1.844 -0.778 5.912
202 3HD1 LEU 24 3HD1 LEU 24 -2.660 0.696 5.384
203 1HD2 LEU 24 1HD2 LEU 24 -0.322 1.543 7.861
204 2HD2 LEU 24 2HD2 LEU 24 -1.033 2.781 6.826
205 3HD2 LEU 24 3HD2 LEU 24 0.690 2.420 6.714
206 H HIS 25 H HIS 25 -1.258 0.428 3.326
207 HA HIS 25 HA HIS 25 -2.769 -1.956 3.325
208 1HB HIS 25 1HB HIS 25 -4.451 -0.526 2.995
209 2HB HIS 25 2HB HIS 25 -3.308 0.786 2.842
210 HD1 HIS 25 HD1 HIS 25 -4.915 -1.831 0.579
211 HD2 HIS 25 HD2 HIS 25 -3.487 2.072 0.497
212 HE1 HIS 25 HE1 HIS 25 -5.478 -0.912 -1.704
213 H GLU 26 H GLU 26 -0.581 -0.502 1.015
214 HA GLU 26 HA GLU 26 -1.392 -2.126 -1.197
215 1HB GLU 26 1HB GLU 26 0.506 -1.279 -2.347
216 2HB GLU 26 2HB GLU 26 -0.101 0.048 -1.370
217 1HG GLU 26 1HG GLU 26 2.052 0.287 -0.807
218 2HG GLU 26 2HG GLU 26 1.700 -1.011 0.331
219 H LEU 27 H LEU 27 0.543 -2.591 1.641
220 HA LEU 27 HA LEU 27 2.097 -4.789 0.618
221 1HB LEU 27 1HB LEU 27 1.476 -3.995 3.465
222 2HB LEU 27 2HB LEU 27 2.639 -5.217 2.996
223 1HD1 LEU 27 1HD1 LEU 27 3.989 -1.689 3.933
224 2HD1 LEU 27 2HD1 LEU 27 4.306 -3.332 4.492
225 3HD1 LEU 27 3HD1 LEU 27 2.678 -2.662 4.601
226 1HD2 LEU 27 1HD2 LEU 27 4.255 -4.260 1.035
227 2HD2 LEU 27 2HD2 LEU 27 4.984 -4.499 2.622
228 3HD2 LEU 27 3HD2 LEU 27 5.214 -2.974 1.767
229 H LEU 28 H LEU 28 -0.368 -4.792 3.204
230 HA LEU 28 HA LEU 28 -1.141 -7.500 2.361
231 1HB LEU 28 1HB LEU 28 -1.514 -6.065 4.990
232 2HB LEU 28 2HB LEU 28 -2.174 -7.650 4.634
233 HG LEU 28 HG LEU 28 0.466 -8.032 4.051
234 1HD1 LEU 28 1HD1 LEU 28 0.360 -6.192 6.437
235 2HD1 LEU 28 2HD1 LEU 28 1.046 -5.793 4.861
236 3HD1 LEU 28 3HD1 LEU 28 1.777 -7.060 5.846
237 1HD2 LEU 28 1HD2 LEU 28 -0.962 -9.509 5.364
238 2HD2 LEU 28 2HD2 LEU 28 -0.892 -8.386 6.722
239 3HD2 LEU 28 3HD2 LEU 28 0.570 -9.218 6.187
240 H GLY 29 H GLY 29 -2.619 -4.495 3.620
241 1HA GLY 29 1HA GLY 29 -4.452 -3.436 2.481
242 2HA GLY 29 2HA GLY 29 -4.934 -5.012 1.873
243 H GLU 30 H GLU 30 -4.624 -3.123 4.863
244 HA GLU 30 HA GLU 30 -6.504 -4.856 6.240
245 1HB GLU 30 1HB GLU 30 -4.448 -3.813 7.316
246 2HB GLU 30 2HB GLU 30 -5.314 -2.282 7.270
247 1HG GLU 30 1HG GLU 30 -7.140 -3.949 8.441
248 2HG GLU 30 2HG GLU 30 -5.610 -4.557 9.070
249 H GLU 31 H GLU 31 -8.601 -4.613 5.852
250 HA GLU 31 HA GLU 31 -9.655 -1.921 5.323
251 1HB GLU 31 1HB GLU 31 -10.000 -3.975 3.735
252 2HB GLU 31 2HB GLU 31 -11.242 -4.427 4.895
253 1HG GLU 31 1HG GLU 31 -12.425 -3.241 3.311
254 2HG GLU 31 2HG GLU 31 -12.122 -2.030 4.555
255 H ARG 32 H ARG 32 -11.321 -1.065 6.507
256 HA ARG 32 HA ARG 32 -11.601 -1.961 9.193
257 1HB ARG 32 1HB ARG 32 -12.382 0.349 7.623
258 2HB ARG 32 2HB ARG 32 -13.681 -0.156 8.695
259 1HG ARG 32 1HG ARG 32 -10.945 0.058 9.829
260 2HG ARG 32 2HG ARG 32 -11.815 1.547 9.459
261 1HD ARG 32 1HD ARG 32 -12.160 0.826 11.783
262 2HD ARG 32 2HD ARG 32 -13.664 0.852 10.863
263 HE ARG 32 HE ARG 32 -13.844 -1.410 11.155
264 1HH1 ARG 32 1HH1 ARG 32 -10.564 -0.454 11.932
265 2HH1 ARG 32 2HH1 ARG 32 -10.126 -2.012 12.546
266 1HH2 ARG 32 1HH2 ARG 32 -13.254 -3.464 11.961
267 2HH2 ARG 32 2HH2 ARG 32 -11.649 -3.719 12.561
268 H ARG 33 H ARG 33 -13.873 -1.845 6.447
269 HA ARG 33 HA ARG 33 -15.583 -3.767 7.880
270 1HB ARG 33 1HB ARG 33 -16.266 -1.738 5.749
271 2HB ARG 33 2HB ARG 33 -17.383 -2.978 6.304
272 1HG ARG 33 1HG ARG 33 -17.007 -2.016 8.643
273 2HG ARG 33 2HG ARG 33 -16.288 -0.631 7.817
274 1HD ARG 33 1HD ARG 33 -18.904 -1.531 6.792
275 2HD ARG 33 2HD ARG 33 -18.910 -0.843 8.415
276 HE ARG 33 HE ARG 33 -17.521 0.719 6.412
277 1HH1 ARG 33 1HH1 ARG 33 -20.548 0.165 8.089
278 2HH1 ARG 33 2HH1 ARG 33 -21.165 1.746 7.749
279 1HH2 ARG 33 1HH2 ARG 33 -18.340 2.799 5.971
280 2HH2 ARG 33 2HH2 ARG 33 -19.913 3.242 6.546
Start of MODEL 2
1 H TYR 1 H TYR 1 -13.118 15.137 -0.033
2 HA TYR 1 HA TYR 1 -12.342 13.090 1.099
3 1HB TYR 1 1HB TYR 1 -15.337 12.626 1.175
4 2HB TYR 1 2HB TYR 1 -14.120 11.402 1.516
5 HD1 TYR 1 HD1 TYR 1 -12.931 11.384 3.618
6 HD2 TYR 1 HD2 TYR 1 -15.744 14.457 2.752
7 HE1 TYR 1 HE1 TYR 1 -12.923 12.052 5.985
8 HE2 TYR 1 HE2 TYR 1 -15.742 15.134 5.115
9 HH TYR 1 HH TYR 1 -13.892 14.858 7.111
10 H LYS 2 H LYS 2 -11.610 13.576 -1.146
11 HA LYS 2 HA LYS 2 -12.872 11.702 -3.014
12 1HB LYS 2 1HB LYS 2 -12.235 14.595 -3.561
13 2HB LYS 2 2HB LYS 2 -12.381 13.416 -4.857
14 1HG LYS 2 1HG LYS 2 -14.554 13.943 -2.845
15 2HG LYS 2 2HG LYS 2 -14.434 14.771 -4.398
16 1HD LYS 2 1HD LYS 2 -14.260 11.842 -4.552
17 2HD LYS 2 2HD LYS 2 -15.808 12.460 -3.972
18 1HE LYS 2 1HE LYS 2 -16.235 13.606 -5.944
19 2HE LYS 2 2HE LYS 2 -14.535 13.635 -6.411
20 1HZ LYS 2 1HZ LYS 2 -16.243 11.204 -6.354
21 2HZ LYS 2 2HZ LYS 2 -14.635 11.282 -6.872
22 3HZ LYS 2 3HZ LYS 2 -15.843 12.080 -7.746
23 H PHE 3 H PHE 3 -10.861 10.691 -1.856
24 HA PHE 3 HA PHE 3 -8.725 10.725 -3.819
25 1HB PHE 3 1HB PHE 3 -8.283 12.400 -1.819
26 2HB PHE 3 2HB PHE 3 -7.838 10.926 -0.968
27 HD1 PHE 3 HD1 PHE 3 -6.921 13.272 -3.602
28 HD2 PHE 3 HD2 PHE 3 -5.896 9.636 -1.658
29 HE1 PHE 3 HE1 PHE 3 -4.678 13.368 -4.608
30 HE2 PHE 3 HE2 PHE 3 -3.650 9.715 -2.652
31 HZ PHE 3 HZ PHE 3 -3.039 11.590 -4.136
32 H ALA 4 H ALA 4 -8.614 8.646 -4.354
33 HA ALA 4 HA ALA 4 -8.839 6.632 -2.247
34 1HB ALA 4 1HB ALA 4 -9.607 5.075 -3.972
35 2HB ALA 4 2HB ALA 4 -9.474 6.356 -5.177
36 3HB ALA 4 3HB ALA 4 -10.646 6.497 -3.866
37 H CYS 5 H CYS 5 -7.400 4.907 -2.181
38 HA CYS 5 HA CYS 5 -4.750 5.442 -2.975
39 1HB CYS 5 1HB CYS 5 -5.896 2.765 -2.167
40 2HB CYS 5 2HB CYS 5 -4.213 3.267 -2.071
41 HG CYS 5 HG CYS 5 -6.117 3.563 0.122
42 HA PRO 6 HA PRO 6 -4.395 3.831 -7.068
43 1HB PRO 6 1HB PRO 6 -1.916 2.443 -6.265
44 2HB PRO 6 2HB PRO 6 -2.152 3.716 -7.466
45 1HG PRO 6 1HG PRO 6 -0.931 4.207 -5.132
46 2HG PRO 6 2HG PRO 6 -1.985 5.407 -5.902
47 1HD PRO 6 1HD PRO 6 -2.559 3.574 -3.606
48 2HD PRO 6 2HD PRO 6 -3.015 5.276 -3.832
49 H GLU 7 H GLU 7 -4.212 1.678 -4.325
50 HA GLU 7 HA GLU 7 -4.662 -0.661 -6.024
51 1HB GLU 7 1HB GLU 7 -2.899 -0.900 -4.384
52 2HB GLU 7 2HB GLU 7 -3.990 -0.433 -3.090
53 1HG GLU 7 1HG GLU 7 -3.693 -2.796 -3.019
54 2HG GLU 7 2HG GLU 7 -5.337 -2.460 -3.559
55 H CYS 8 H CYS 8 -6.092 0.865 -3.092
56 HA CYS 8 HA CYS 8 -8.554 -0.636 -3.667
57 1HB CYS 8 1HB CYS 8 -9.231 -0.294 -1.399
58 2HB CYS 8 2HB CYS 8 -7.617 -0.938 -1.414
59 HG CYS 8 HG CYS 8 -7.426 0.917 0.271
60 HA PRO 9 HA PRO 9 -10.914 2.928 -4.530
61 1HB PRO 9 1HB PRO 9 -13.357 2.018 -3.963
62 2HB PRO 9 2HB PRO 9 -12.383 1.281 -5.241
63 1HG PRO 9 1HG PRO 9 -12.907 0.318 -2.462
64 2HG PRO 9 2HG PRO 9 -12.782 -0.610 -3.966
65 1HD PRO 9 1HD PRO 9 -10.738 -0.289 -2.080
66 2HD PRO 9 2HD PRO 9 -10.520 -0.827 -3.749
67 H LYS 10 H LYS 10 -10.375 2.066 -1.322
68 HA LYS 10 HA LYS 10 -12.291 3.339 0.184
69 1HB LYS 10 1HB LYS 10 -9.360 2.879 0.603
70 2HB LYS 10 2HB LYS 10 -10.274 3.823 1.772
71 1HG LYS 10 1HG LYS 10 -11.892 1.768 1.720
72 2HG LYS 10 2HG LYS 10 -10.470 0.926 1.101
73 1HD LYS 10 1HD LYS 10 -10.159 0.594 3.339
74 2HD LYS 10 2HD LYS 10 -9.311 2.132 3.154
75 1HE LYS 10 1HE LYS 10 -10.991 3.334 4.176
76 2HE LYS 10 2HE LYS 10 -12.228 2.141 3.784
77 1HZ LYS 10 1HZ LYS 10 -11.531 2.271 6.182
78 2HZ LYS 10 2HZ LYS 10 -10.051 1.597 5.718
79 3HZ LYS 10 3HZ LYS 10 -11.484 0.727 5.491
80 H ARG 11 H ARG 11 -12.944 5.352 0.431
81 HA ARG 11 HA ARG 11 -11.378 7.512 -0.771
82 1HB ARG 11 1HB ARG 11 -13.447 8.856 -0.532
83 2HB ARG 11 2HB ARG 11 -13.684 7.403 -1.492
84 1HG ARG 11 1HG ARG 11 -14.280 6.724 1.180
85 2HG ARG 11 2HG ARG 11 -15.072 8.264 0.844
86 1HD ARG 11 1HD ARG 11 -15.284 6.169 -1.237
87 2HD ARG 11 2HD ARG 11 -16.168 5.890 0.263
88 HE ARG 11 HE ARG 11 -16.587 8.510 -0.840
89 1HH1 ARG 11 1HH1 ARG 11 -17.647 5.173 -0.944
90 2HH1 ARG 11 2HH1 ARG 11 -19.225 5.565 -1.537
91 1HH2 ARG 11 1HH2 ARG 11 -18.668 9.019 -1.618
92 2HH2 ARG 11 2HH2 ARG 11 -19.805 7.748 -1.919
93 H PHE 12 H PHE 12 -10.039 8.584 0.500
94 HA PHE 12 HA PHE 12 -10.549 8.723 3.380
95 1HB PHE 12 1HB PHE 12 -8.093 9.547 1.815
96 2HB PHE 12 2HB PHE 12 -8.231 9.516 3.563
97 HD1 PHE 12 HD1 PHE 12 -7.020 7.841 4.520
98 HD2 PHE 12 HD2 PHE 12 -8.958 7.068 0.808
99 HE1 PHE 12 HE1 PHE 12 -6.152 5.541 4.547
100 HE2 PHE 12 HE2 PHE 12 -8.098 4.765 0.835
101 HZ PHE 12 HZ PHE 12 -6.684 3.993 2.701
102 H MET 13 H MET 13 -9.317 11.018 4.137
103 HA MET 13 HA MET 13 -11.152 13.052 3.134
104 1HB MET 13 1HB MET 13 -10.788 12.579 5.610
105 2HB MET 13 2HB MET 13 -9.211 13.332 5.424
106 1HG MET 13 1HG MET 13 -10.228 15.418 4.785
107 2HG MET 13 2HG MET 13 -11.828 14.680 4.808
108 1HE MET 13 1HE MET 13 -12.361 16.882 6.206
109 2HE MET 13 2HE MET 13 -10.711 17.408 6.547
110 3HE MET 13 3HE MET 13 -11.844 17.147 7.872
111 H ARG 14 H ARG 14 -7.667 12.481 3.468
112 HA ARG 14 HA ARG 14 -7.196 14.598 1.483
113 1HB ARG 14 1HB ARG 14 -5.776 14.266 4.126
114 2HB ARG 14 2HB ARG 14 -5.104 15.198 2.797
115 1HG ARG 14 1HG ARG 14 -6.179 16.949 3.627
116 2HG ARG 14 2HG ARG 14 -7.674 16.190 3.074
117 1HD ARG 14 1HD ARG 14 -8.130 15.284 5.181
118 2HD ARG 14 2HD ARG 14 -6.470 15.500 5.733
119 HE ARG 14 HE ARG 14 -7.605 18.012 5.155
120 1HH1 ARG 14 1HH1 ARG 14 -7.829 15.438 7.518
121 2HH1 ARG 14 2HH1 ARG 14 -8.329 16.491 8.797
122 1HH2 ARG 14 1HH2 ARG 14 -8.265 19.392 6.842
123 2HH2 ARG 14 2HH2 ARG 14 -8.578 18.736 8.414
124 H SER 15 H SER 15 -5.112 14.420 0.389
125 HA SER 15 HA SER 15 -4.578 11.866 -0.573
126 1HB SER 15 1HB SER 15 -2.543 12.875 -1.570
127 2HB SER 15 2HB SER 15 -3.972 13.872 -1.820
128 HG SER 15 HG SER 15 -3.159 15.376 -0.557
129 H ASP 16 H ASP 16 -2.956 13.712 1.980
130 HA ASP 16 HA ASP 16 -0.829 11.918 2.423
131 1HB ASP 16 1HB ASP 16 -0.881 13.003 4.795
132 2HB ASP 16 2HB ASP 16 -0.456 13.984 3.399
133 H HIS 17 H HIS 17 -4.136 11.991 3.654
134 HA HIS 17 HA HIS 17 -3.923 10.163 5.746
135 1HB HIS 17 1HB HIS 17 -6.173 10.800 3.848
136 2HB HIS 17 2HB HIS 17 -6.354 9.576 5.096
137 HD1 HIS 17 HD1 HIS 17 -8.252 11.174 6.054
138 HD2 HIS 17 HD2 HIS 17 -4.378 12.659 6.257
139 HE1 HIS 17 HE1 HIS 17 -8.349 13.086 7.684
140 HE2 HIS 17 HE2 HIS 17 -6.016 14.037 7.704
141 H LEU 18 H LEU 18 -3.948 9.665 2.286
142 HA LEU 18 HA LEU 18 -4.201 6.779 2.503
143 1HB LEU 18 1HB LEU 18 -3.626 8.550 0.140
144 2HB LEU 18 2HB LEU 18 -3.874 6.821 0.057
145 HG LEU 18 HG LEU 18 -6.182 7.322 1.093
146 1HD1 LEU 18 1HD1 LEU 18 -6.941 9.624 0.178
147 2HD1 LEU 18 2HD1 LEU 18 -5.230 10.035 0.281
148 3HD1 LEU 18 3HD1 LEU 18 -6.106 9.546 1.730
149 1HD2 LEU 18 1HD2 LEU 18 -6.329 6.502 -1.009
150 2HD2 LEU 18 2HD2 LEU 18 -5.187 7.678 -1.661
151 3HD2 LEU 18 3HD2 LEU 18 -6.854 8.152 -1.339
152 H SER 19 H SER 19 -1.818 9.156 1.387
153 HA SER 19 HA SER 19 0.263 7.664 0.608
154 1HB SER 19 1HB SER 19 0.418 10.077 0.654
155 2HB SER 19 2HB SER 19 0.403 10.089 2.417
156 HG SER 19 HG SER 19 2.452 9.366 0.648
157 H LYS 20 H LYS 20 -0.643 8.139 3.999
158 HA LYS 20 HA LYS 20 1.576 6.558 4.968
159 1HB LYS 20 1HB LYS 20 0.575 8.474 6.245
160 2HB LYS 20 2HB LYS 20 -0.870 7.500 6.479
161 1HG LYS 20 1HG LYS 20 1.578 6.133 7.277
162 2HG LYS 20 2HG LYS 20 1.278 7.624 8.174
163 1HD LYS 20 1HD LYS 20 -1.017 6.810 8.657
164 2HD LYS 20 2HD LYS 20 -0.607 5.287 7.864
165 1HE LYS 20 1HE LYS 20 1.129 4.865 9.496
166 2HE LYS 20 2HE LYS 20 0.843 6.434 10.247
167 1HZ LYS 20 1HZ LYS 20 -1.387 5.697 10.840
168 2HZ LYS 20 2HZ LYS 20 -0.216 4.665 11.493
169 3HZ LYS 20 3HZ LYS 20 -1.098 4.186 10.131
170 H HIS 21 H HIS 21 -1.828 6.084 4.228
171 HA HIS 21 HA HIS 21 -1.958 3.477 5.451
172 1HB HIS 21 1HB HIS 21 -4.050 4.393 5.518
173 2HB HIS 21 2HB HIS 21 -3.832 5.279 4.018
174 HD1 HIS 21 HD1 HIS 21 -5.873 2.706 5.298
175 HD2 HIS 21 HD2 HIS 21 -3.757 3.195 1.765
176 HE1 HIS 21 HE1 HIS 21 -6.972 1.187 3.597
177 H ILE 22 H ILE 22 -1.384 4.730 2.193
178 HA ILE 22 HA ILE 22 -1.796 2.298 0.832
179 HB ILE 22 HB ILE 22 -0.119 3.333 -0.876
180 1HG1 ILE 22 1HG1 ILE 22 -0.848 6.002 -0.184
181 2HG1 ILE 22 2HG1 ILE 22 -0.043 5.257 1.193
182 1HG2 ILE 22 1HG2 ILE 22 -2.918 4.132 -0.243
183 2HG2 ILE 22 2HG2 ILE 22 -2.290 3.215 -1.612
184 3HG2 ILE 22 3HG2 ILE 22 -2.066 4.963 -1.544
185 1HD1 ILE 22 1HD1 ILE 22 1.095 5.231 -1.582
186 2HD1 ILE 22 2HD1 ILE 22 1.907 4.807 -0.074
187 3HD1 ILE 22 3HD1 ILE 22 1.453 6.482 -0.391
188 H THR 23 H THR 23 1.172 3.696 2.146
189 HA THR 23 HA THR 23 2.959 1.818 1.198
190 HB THR 23 HB THR 23 3.032 3.183 3.899
191 HG1 THR 23 HG1 THR 23 4.003 3.982 1.359
192 1HG2 THR 23 1HG2 THR 23 5.210 1.885 2.290
193 2HG2 THR 23 2HG2 THR 23 4.720 1.532 3.947
194 3HG2 THR 23 3HG2 THR 23 5.516 3.060 3.570
195 H LEU 24 H LEU 24 0.607 1.422 3.736
196 HA LEU 24 HA LEU 24 1.749 -1.187 4.465
197 1HB LEU 24 1HB LEU 24 0.090 -1.129 6.326
198 2HB LEU 24 2HB LEU 24 1.262 0.178 6.376
199 HG LEU 24 HG LEU 24 -0.741 1.301 4.939
200 1HD1 LEU 24 1HD1 LEU 24 -2.407 0.284 7.095
201 2HD1 LEU 24 2HD1 LEU 24 -1.960 -0.945 5.910
202 3HD1 LEU 24 3HD1 LEU 24 -2.777 0.530 5.386
203 1HD2 LEU 24 1HD2 LEU 24 -1.181 2.639 6.867
204 2HD2 LEU 24 2HD2 LEU 24 0.535 2.229 6.868
205 3HD2 LEU 24 3HD2 LEU 24 -0.576 1.379 7.942
206 H HIS 25 H HIS 25 -1.245 0.348 3.336
207 HA HIS 25 HA HIS 25 -2.714 -2.067 3.128
208 1HB HIS 25 1HB HIS 25 -4.390 -0.595 2.927
209 2HB HIS 25 2HB HIS 25 -3.252 0.723 2.756
210 HD1 HIS 25 HD1 HIS 25 -5.078 -1.804 0.580
211 HD2 HIS 25 HD2 HIS 25 -3.303 1.951 0.357
212 HE1 HIS 25 HE1 HIS 25 -5.647 -0.878 -1.701
213 H GLU 26 H GLU 26 -0.502 -0.376 1.002
214 HA GLU 26 HA GLU 26 -1.208 -1.879 -1.342
215 1HB GLU 26 1HB GLU 26 -0.100 0.364 -1.418
216 2HB GLU 26 2HB GLU 26 1.354 -0.375 -0.760
217 1HG GLU 26 1HG GLU 26 1.615 -0.147 -3.119
218 2HG GLU 26 2HG GLU 26 1.437 -1.859 -2.738
219 H LEU 27 H LEU 27 0.777 -2.355 1.461
220 HA LEU 27 HA LEU 27 2.520 -4.338 0.369
221 1HB LEU 27 1HB LEU 27 1.836 -3.330 3.071
222 2HB LEU 27 2HB LEU 27 2.498 -4.950 2.993
223 1HD1 LEU 27 1HD1 LEU 27 4.801 -1.738 1.481
224 2HD1 LEU 27 2HD1 LEU 27 3.078 -1.898 1.138
225 3HD1 LEU 27 3HD1 LEU 27 4.236 -2.978 0.361
226 1HD2 LEU 27 1HD2 LEU 27 3.346 -2.274 4.154
227 2HD2 LEU 27 2HD2 LEU 27 4.995 -2.015 3.579
228 3HD2 LEU 27 3HD2 LEU 27 4.583 -3.499 4.436
229 H LEU 28 H LEU 28 -0.172 -4.725 2.697
230 HA LEU 28 HA LEU 28 -0.547 -7.462 1.686
231 1HB LEU 28 1HB LEU 28 -1.148 -6.148 4.315
232 2HB LEU 28 2HB LEU 28 -1.976 -7.621 3.846
233 HG LEU 28 HG LEU 28 0.494 -8.485 3.448
234 1HD1 LEU 28 1HD1 LEU 28 0.802 -6.196 5.371
235 2HD1 LEU 28 2HD1 LEU 28 1.718 -6.523 3.900
236 3HD1 LEU 28 3HD1 LEU 28 1.927 -7.554 5.315
237 1HD2 LEU 28 1HD2 LEU 28 -0.646 -8.225 6.226
238 2HD2 LEU 28 2HD2 LEU 28 0.434 -9.484 5.625
239 3HD2 LEU 28 3HD2 LEU 28 -1.219 -9.377 5.021
240 H GLY 29 H GLY 29 -2.529 -4.752 2.930
241 1HA GLY 29 1HA GLY 29 -4.320 -3.795 1.656
242 2HA GLY 29 2HA GLY 29 -4.492 -5.327 0.813
243 H GLU 30 H GLU 30 -4.558 -4.177 4.196
244 HA GLU 30 HA GLU 30 -7.135 -5.561 4.524
245 1HB GLU 30 1HB GLU 30 -5.005 -5.528 6.663
246 2HB GLU 30 2HB GLU 30 -6.504 -6.444 6.652
247 1HG GLU 30 1HG GLU 30 -5.613 -8.121 5.479
248 2HG GLU 30 2HG GLU 30 -4.756 -7.034 4.388
249 H GLU 31 H GLU 31 -8.567 -3.978 4.844
250 HA GLU 31 HA GLU 31 -7.798 -1.536 6.215
251 1HB GLU 31 1HB GLU 31 -9.856 -0.618 5.479
252 2HB GLU 31 2HB GLU 31 -9.247 -1.578 4.139
253 1HG GLU 31 1HG GLU 31 -10.762 -3.412 4.819
254 2HG GLU 31 2HG GLU 31 -11.420 -2.360 6.071
255 H ARG 32 H ARG 32 -9.042 -0.664 8.002
256 HA ARG 32 HA ARG 32 -9.355 -2.506 10.111
257 1HB ARG 32 1HB ARG 32 -9.447 0.348 9.773
258 2HB ARG 32 2HB ARG 32 -10.798 -0.166 10.774
259 1HG ARG 32 1HG ARG 32 -9.476 -0.480 12.523
260 2HG ARG 32 2HG ARG 32 -8.374 -1.492 11.585
261 1HD ARG 32 1HD ARG 32 -7.006 0.270 11.038
262 2HD ARG 32 2HD ARG 32 -8.296 1.461 11.194
263 HE ARG 32 HE ARG 32 -7.853 0.447 13.730
264 1HH1 ARG 32 1HH1 ARG 32 -6.014 2.208 11.326
265 2HH1 ARG 32 2HH1 ARG 32 -5.022 3.010 12.496
266 1HH2 ARG 32 1HH2 ARG 32 -6.543 1.506 15.266
267 2HH2 ARG 32 2HH2 ARG 32 -5.320 2.612 14.733
268 H ARG 33 H ARG 33 -11.848 -0.541 8.460
269 HA ARG 33 HA ARG 33 -13.734 -2.749 8.726
270 1HB ARG 33 1HB ARG 33 -14.208 0.003 9.883
271 2HB ARG 33 2HB ARG 33 -15.492 -1.164 9.599
272 1HG ARG 33 1HG ARG 33 -14.340 -2.740 11.119
273 2HG ARG 33 2HG ARG 33 -13.145 -1.487 11.458
274 1HD ARG 33 1HD ARG 33 -15.490 -0.163 11.902
275 2HD ARG 33 2HD ARG 33 -15.891 -1.794 12.436
276 HE ARG 33 HE ARG 33 -14.130 0.065 13.724
277 1HH1 ARG 33 1HH1 ARG 33 -14.836 -3.342 13.301
278 2HH1 ARG 33 2HH1 ARG 33 -14.098 -3.804 14.796
279 1HH2 ARG 33 1HH2 ARG 33 -13.159 -0.556 15.693
280 2HH2 ARG 33 2HH2 ARG 33 -13.147 -2.225 16.154
Start of MODEL 3
1 H TYR 1 H TYR 1 -14.683 13.357 2.421
2 HA TYR 1 HA TYR 1 -12.530 12.886 1.368
3 1HB TYR 1 1HB TYR 1 -13.276 10.550 0.687
4 2HB TYR 1 2HB TYR 1 -13.761 11.076 2.294
5 HD1 TYR 1 HD1 TYR 1 -14.929 10.300 -1.100
6 HD2 TYR 1 HD2 TYR 1 -16.093 11.459 2.826
7 HE1 TYR 1 HE1 TYR 1 -17.268 9.772 -1.644
8 HE2 TYR 1 HE2 TYR 1 -18.433 10.935 2.293
9 HH TYR 1 HH TYR 1 -19.475 9.100 0.176
10 H LYS 2 H LYS 2 -11.330 13.041 -0.415
11 HA LYS 2 HA LYS 2 -12.504 12.629 -3.042
12 1HB LYS 2 1HB LYS 2 -11.378 15.268 -2.125
13 2HB LYS 2 2HB LYS 2 -11.409 14.824 -3.826
14 1HG LYS 2 1HG LYS 2 -13.871 14.521 -3.638
15 2HG LYS 2 2HG LYS 2 -13.773 15.146 -1.991
16 1HD LYS 2 1HD LYS 2 -12.746 17.221 -2.910
17 2HD LYS 2 2HD LYS 2 -13.038 16.594 -4.533
18 1HE LYS 2 1HE LYS 2 -15.293 16.773 -2.577
19 2HE LYS 2 2HE LYS 2 -14.753 18.221 -3.425
20 1HZ LYS 2 1HZ LYS 2 -16.553 17.145 -4.606
21 2HZ LYS 2 2HZ LYS 2 -15.674 15.703 -4.705
22 3HZ LYS 2 3HZ LYS 2 -15.136 17.080 -5.528
23 H PHE 3 H PHE 3 -10.718 10.976 -1.799
24 HA PHE 3 HA PHE 3 -8.529 10.988 -3.647
25 1HB PHE 3 1HB PHE 3 -7.976 12.535 -1.543
26 2HB PHE 3 2HB PHE 3 -7.568 10.982 -0.826
27 HD1 PHE 3 HD1 PHE 3 -6.724 13.389 -3.467
28 HD2 PHE 3 HD2 PHE 3 -5.628 9.773 -1.524
29 HE1 PHE 3 HE1 PHE 3 -4.517 13.480 -4.543
30 HE2 PHE 3 HE2 PHE 3 -3.419 9.849 -2.592
31 HZ PHE 3 HZ PHE 3 -2.859 11.709 -4.112
32 H ALA 4 H ALA 4 -8.388 8.918 -4.216
33 HA ALA 4 HA ALA 4 -8.781 6.863 -2.171
34 1HB ALA 4 1HB ALA 4 -9.681 5.403 -3.927
35 2HB ALA 4 2HB ALA 4 -9.526 6.726 -5.084
36 3HB ALA 4 3HB ALA 4 -10.640 6.870 -3.725
37 H CYS 5 H CYS 5 -7.387 5.124 -2.110
38 HA CYS 5 HA CYS 5 -4.762 5.514 -3.041
39 1HB CYS 5 1HB CYS 5 -5.978 2.891 -2.160
40 2HB CYS 5 2HB CYS 5 -4.276 3.334 -2.132
41 HG CYS 5 HG CYS 5 -5.954 3.626 0.172
42 HA PRO 6 HA PRO 6 -4.818 3.796 -7.114
43 1HB PRO 6 1HB PRO 6 -2.313 2.772 -7.297
44 2HB PRO 6 2HB PRO 6 -2.641 4.508 -7.326
45 1HG PRO 6 1HG PRO 6 -1.720 2.792 -5.052
46 2HG PRO 6 2HG PRO 6 -1.162 4.405 -5.535
47 1HD PRO 6 1HD PRO 6 -2.903 4.008 -3.495
48 2HD PRO 6 2HD PRO 6 -2.932 5.463 -4.510
49 H GLU 7 H GLU 7 -4.336 1.815 -4.332
50 HA GLU 7 HA GLU 7 -4.555 -0.652 -5.894
51 1HB GLU 7 1HB GLU 7 -3.625 -0.013 -3.124
52 2HB GLU 7 2HB GLU 7 -4.212 -1.631 -3.478
53 1HG GLU 7 1HG GLU 7 -2.372 -0.819 -5.511
54 2HG GLU 7 2HG GLU 7 -1.647 -0.574 -3.923
55 H CYS 8 H CYS 8 -6.076 0.928 -3.049
56 HA CYS 8 HA CYS 8 -8.408 -0.816 -3.456
57 1HB CYS 8 1HB CYS 8 -9.066 -0.356 -1.198
58 2HB CYS 8 2HB CYS 8 -7.409 -0.880 -1.211
59 HG CYS 8 HG CYS 8 -8.002 2.153 -0.975
60 HA PRO 9 HA PRO 9 -11.065 2.481 -4.511
61 1HB PRO 9 1HB PRO 9 -13.419 1.466 -3.761
62 2HB PRO 9 2HB PRO 9 -12.446 0.690 -5.015
63 1HG PRO 9 1HG PRO 9 -12.792 -0.066 -2.146
64 2HG PRO 9 2HG PRO 9 -12.665 -1.108 -3.573
65 1HD PRO 9 1HD PRO 9 -10.575 -0.506 -1.817
66 2HD PRO 9 2HD PRO 9 -10.387 -1.155 -3.450
67 H LYS 10 H LYS 10 -10.384 1.912 -1.254
68 HA LYS 10 HA LYS 10 -12.355 3.287 0.136
69 1HB LYS 10 1HB LYS 10 -9.558 2.505 0.649
70 2HB LYS 10 2HB LYS 10 -10.143 3.858 1.605
71 1HG LYS 10 1HG LYS 10 -10.647 2.066 2.952
72 2HG LYS 10 2HG LYS 10 -12.168 2.308 2.090
73 1HD LYS 10 1HD LYS 10 -10.210 0.486 0.827
74 2HD LYS 10 2HD LYS 10 -10.962 -0.082 2.319
75 1HE LYS 10 1HE LYS 10 -12.569 1.019 0.029
76 2HE LYS 10 2HE LYS 10 -12.116 -0.682 0.125
77 1HZ LYS 10 1HZ LYS 10 -14.274 -0.437 1.054
78 2HZ LYS 10 2HZ LYS 10 -13.785 0.838 2.051
79 3HZ LYS 10 3HZ LYS 10 -13.214 -0.728 2.341
80 H ARG 11 H ARG 11 -12.876 5.334 0.398
81 HA ARG 11 HA ARG 11 -11.233 7.381 -0.913
82 1HB ARG 11 1HB ARG 11 -13.318 8.797 -0.702
83 2HB ARG 11 2HB ARG 11 -13.447 7.409 -1.772
84 1HG ARG 11 1HG ARG 11 -14.252 6.766 0.940
85 2HG ARG 11 2HG ARG 11 -15.188 8.097 0.261
86 1HD ARG 11 1HD ARG 11 -14.716 5.572 -1.287
87 2HD ARG 11 2HD ARG 11 -16.026 5.695 -0.114
88 HE ARG 11 HE ARG 11 -16.068 7.871 -1.947
89 1HH1 ARG 11 1HH1 ARG 11 -16.882 4.477 -1.660
90 2HH1 ARG 11 2HH1 ARG 11 -18.130 4.550 -2.858
91 1HH2 ARG 11 1HH2 ARG 11 -17.709 7.961 -3.524
92 2HH2 ARG 11 2HH2 ARG 11 -18.599 6.527 -3.918
93 H PHE 12 H PHE 12 -9.992 8.605 0.321
94 HA PHE 12 HA PHE 12 -10.600 8.848 3.184
95 1HB PHE 12 1HB PHE 12 -8.051 9.570 1.732
96 2HB PHE 12 2HB PHE 12 -8.285 9.544 3.469
97 HD1 PHE 12 HD1 PHE 12 -7.159 7.848 4.487
98 HD2 PHE 12 HD2 PHE 12 -8.909 7.106 0.677
99 HE1 PHE 12 HE1 PHE 12 -6.332 5.535 4.560
100 HE2 PHE 12 HE2 PHE 12 -8.091 4.790 0.751
101 HZ PHE 12 HZ PHE 12 -6.792 3.997 2.690
102 H MET 13 H MET 13 -9.681 11.062 4.081
103 HA MET 13 HA MET 13 -11.256 13.119 2.796
104 1HB MET 13 1HB MET 13 -11.019 12.607 5.344
105 2HB MET 13 2HB MET 13 -9.562 13.583 5.225
106 1HG MET 13 1HG MET 13 -10.742 15.448 5.311
107 2HG MET 13 2HG MET 13 -11.734 14.939 3.947
108 1HE MET 13 1HE MET 13 -12.710 14.452 8.408
109 2HE MET 13 2HE MET 13 -11.421 15.436 7.717
110 3HE MET 13 3HE MET 13 -11.284 13.678 7.716
111 H ARG 14 H ARG 14 -7.818 12.498 3.428
112 HA ARG 14 HA ARG 14 -7.168 14.664 1.542
113 1HB ARG 14 1HB ARG 14 -5.877 14.172 4.230
114 2HB ARG 14 2HB ARG 14 -5.175 15.200 2.990
115 1HG ARG 14 1HG ARG 14 -6.250 16.813 4.131
116 2HG ARG 14 2HG ARG 14 -7.615 16.298 3.139
117 1HD ARG 14 1HD ARG 14 -8.742 15.565 4.916
118 2HD ARG 14 2HD ARG 14 -7.349 14.670 5.518
119 HE ARG 14 HE ARG 14 -8.271 17.222 6.408
120 1HH1 ARG 14 1HH1 ARG 14 -5.400 15.248 6.041
121 2HH1 ARG 14 2HH1 ARG 14 -4.535 16.057 7.303
122 1HH2 ARG 14 1HH2 ARG 14 -7.128 18.279 8.073
123 2HH2 ARG 14 2HH2 ARG 14 -5.516 17.777 8.458
124 H SER 15 H SER 15 -5.054 14.489 0.559
125 HA SER 15 HA SER 15 -4.502 11.962 -0.478
126 1HB SER 15 1HB SER 15 -2.451 14.171 -0.311
127 2HB SER 15 2HB SER 15 -2.635 12.947 -1.567
128 HG SER 15 HG SER 15 -3.486 14.874 -2.315
129 H ASP 16 H ASP 16 -2.953 13.692 2.206
130 HA ASP 16 HA ASP 16 -0.874 11.844 2.644
131 1HB ASP 16 1HB ASP 16 -0.898 12.833 5.020
132 2HB ASP 16 2HB ASP 16 -0.550 13.914 3.677
133 H HIS 17 H HIS 17 -4.225 11.888 3.726
134 HA HIS 17 HA HIS 17 -4.110 10.005 5.779
135 1HB HIS 17 1HB HIS 17 -6.266 10.674 3.782
136 2HB HIS 17 2HB HIS 17 -6.500 9.427 4.997
137 HD1 HIS 17 HD1 HIS 17 -8.464 11.028 5.844
138 HD2 HIS 17 HD2 HIS 17 -4.602 12.470 6.348
139 HE1 HIS 17 HE1 HIS 17 -8.660 12.907 7.502
140 HE2 HIS 17 HE2 HIS 17 -6.293 13.683 7.882
141 H LEU 18 H LEU 18 -3.901 9.602 2.321
142 HA LEU 18 HA LEU 18 -4.124 6.696 2.491
143 1HB LEU 18 1HB LEU 18 -3.582 8.437 0.098
144 2HB LEU 18 2HB LEU 18 -3.945 6.726 0.072
145 HG LEU 18 HG LEU 18 -6.188 7.355 1.113
146 1HD1 LEU 18 1HD1 LEU 18 -5.067 10.032 0.448
147 2HD1 LEU 18 2HD1 LEU 18 -6.038 9.529 1.830
148 3HD1 LEU 18 3HD1 LEU 18 -6.794 9.746 0.251
149 1HD2 LEU 18 1HD2 LEU 18 -5.208 7.626 -1.626
150 2HD2 LEU 18 2HD2 LEU 18 -6.757 8.410 -1.318
151 3HD2 LEU 18 3HD2 LEU 18 -6.561 6.690 -0.988
152 H SER 19 H SER 19 -1.824 9.147 1.332
153 HA SER 19 HA SER 19 0.274 7.714 0.502
154 1HB SER 19 1HB SER 19 0.417 10.111 0.549
155 2HB SER 19 2HB SER 19 0.361 10.141 2.312
156 HG SER 19 HG SER 19 2.468 9.472 0.597
157 H LYS 20 H LYS 20 -0.523 8.144 3.935
158 HA LYS 20 HA LYS 20 1.746 6.546 4.768
159 1HB LYS 20 1HB LYS 20 0.656 8.514 6.055
160 2HB LYS 20 2HB LYS 20 -0.553 7.334 6.542
161 1HG LYS 20 1HG LYS 20 2.276 6.572 6.932
162 2HG LYS 20 2HG LYS 20 1.643 7.854 7.965
163 1HD LYS 20 1HD LYS 20 -0.084 5.482 7.664
164 2HD LYS 20 2HD LYS 20 1.432 5.219 8.525
165 1HE LYS 20 1HE LYS 20 -0.264 7.569 9.236
166 2HE LYS 20 2HE LYS 20 -0.730 5.968 9.808
167 1HZ LYS 20 1HZ LYS 20 1.887 7.288 10.295
168 2HZ LYS 20 2HZ LYS 20 1.452 5.746 10.834
169 3HZ LYS 20 3HZ LYS 20 0.643 7.106 11.427
170 H HIS 21 H HIS 21 -1.694 6.128 4.218
171 HA HIS 21 HA HIS 21 -1.821 3.528 5.441
172 1HB HIS 21 1HB HIS 21 -3.901 4.455 5.574
173 2HB HIS 21 2HB HIS 21 -3.709 5.367 4.085
174 HD1 HIS 21 HD1 HIS 21 -5.726 2.761 5.376
175 HD2 HIS 21 HD2 HIS 21 -3.750 3.365 1.782
176 HE1 HIS 21 HE1 HIS 21 -6.889 1.295 3.672
177 H ILE 22 H ILE 22 -1.276 4.751 2.173
178 HA ILE 22 HA ILE 22 -1.824 2.340 0.824
179 HB ILE 22 HB ILE 22 -0.145 3.318 -0.925
180 1HG1 ILE 22 1HG1 ILE 22 -0.788 6.003 -0.166
181 2HG1 ILE 22 2HG1 ILE 22 0.080 5.210 1.142
182 1HG2 ILE 22 1HG2 ILE 22 -2.891 4.267 -0.227
183 2HG2 ILE 22 2HG2 ILE 22 -2.366 3.238 -1.559
184 3HG2 ILE 22 3HG2 ILE 22 -2.033 4.969 -1.599
185 1HD1 ILE 22 1HD1 ILE 22 1.041 5.242 -1.699
186 2HD1 ILE 22 2HD1 ILE 22 1.932 4.732 -0.265
187 3HD1 ILE 22 3HD1 ILE 22 1.516 6.431 -0.487
188 H THR 23 H THR 23 1.252 3.629 2.007
189 HA THR 23 HA THR 23 2.914 1.639 1.055
190 HB THR 23 HB THR 23 3.129 3.137 3.677
191 HG1 THR 23 HG1 THR 23 3.335 4.689 2.256
192 1HG2 THR 23 1HG2 THR 23 5.598 2.806 3.336
193 2HG2 THR 23 2HG2 THR 23 5.185 1.560 2.158
194 3HG2 THR 23 3HG2 THR 23 4.694 1.380 3.842
195 H LEU 24 H LEU 24 0.657 1.448 3.706
196 HA LEU 24 HA LEU 24 1.716 -1.175 4.498
197 1HB LEU 24 1HB LEU 24 0.116 -0.996 6.391
198 2HB LEU 24 2HB LEU 24 1.308 0.293 6.356
199 HG LEU 24 HG LEU 24 -0.700 1.390 4.919
200 1HD1 LEU 24 1HD1 LEU 24 -2.358 0.482 7.129
201 2HD1 LEU 24 2HD1 LEU 24 -1.949 -0.795 5.982
202 3HD1 LEU 24 3HD1 LEU 24 -2.744 0.678 5.417
203 1HD2 LEU 24 1HD2 LEU 24 0.584 2.425 6.745
204 2HD2 LEU 24 2HD2 LEU 24 -0.404 1.548 7.913
205 3HD2 LEU 24 3HD2 LEU 24 -1.143 2.760 6.867
206 H HIS 25 H HIS 25 -1.253 0.407 3.349
207 HA HIS 25 HA HIS 25 -2.797 -1.959 3.323
208 1HB HIS 25 1HB HIS 25 -4.454 -0.516 2.980
209 2HB HIS 25 2HB HIS 25 -3.298 0.788 2.853
210 HD1 HIS 25 HD1 HIS 25 -4.957 -1.772 0.569
211 HD2 HIS 25 HD2 HIS 25 -3.376 2.072 0.499
212 HE1 HIS 25 HE1 HIS 25 -5.481 -0.827 -1.714
213 H GLU 26 H GLU 26 -0.522 -0.560 1.066
214 HA GLU 26 HA GLU 26 -1.363 -2.144 -1.165
215 1HB GLU 26 1HB GLU 26 0.648 -1.442 -2.257
216 2HB GLU 26 2HB GLU 26 0.031 -0.060 -1.365
217 1HG GLU 26 1HG GLU 26 1.660 -0.655 0.460
218 2HG GLU 26 2HG GLU 26 2.361 -1.820 -0.660
219 H LEU 27 H LEU 27 0.315 -2.767 1.758
220 HA LEU 27 HA LEU 27 1.597 -5.190 0.704
221 1HB LEU 27 1HB LEU 27 1.809 -3.616 3.231
222 2HB LEU 27 2HB LEU 27 2.238 -5.315 3.266
223 1HD1 LEU 27 1HD1 LEU 27 4.368 -2.196 1.587
224 2HD1 LEU 27 2HD1 LEU 27 2.607 -2.278 1.526
225 3HD1 LEU 27 3HD1 LEU 27 3.571 -3.035 0.257
226 1HD2 LEU 27 1HD2 LEU 27 4.649 -4.982 3.723
227 2HD2 LEU 27 2HD2 LEU 27 4.191 -3.299 3.985
228 3HD2 LEU 27 3HD2 LEU 27 5.508 -3.694 2.878
229 H LEU 28 H LEU 28 -0.697 -4.258 3.271
230 HA LEU 28 HA LEU 28 -1.511 -7.035 3.610
231 1HB LEU 28 1HB LEU 28 -2.531 -4.589 5.053
232 2HB LEU 28 2HB LEU 28 -2.750 -6.261 5.529
233 HG LEU 28 HG LEU 28 -0.042 -4.947 5.390
234 1HD1 LEU 28 1HD1 LEU 28 -1.395 -3.725 6.989
235 2HD1 LEU 28 2HD1 LEU 28 -0.196 -4.710 7.827
236 3HD1 LEU 28 3HD1 LEU 28 -1.878 -5.234 7.764
237 1HD2 LEU 28 1HD2 LEU 28 -0.002 -7.369 5.304
238 2HD2 LEU 28 2HD2 LEU 28 -1.041 -7.461 6.726
239 3HD2 LEU 28 3HD2 LEU 28 0.591 -6.810 6.867
240 H GLY 29 H GLY 29 -4.142 -6.876 4.273
241 1HA GLY 29 1HA GLY 29 -5.764 -5.392 2.488
242 2HA GLY 29 2HA GLY 29 -5.468 -6.992 1.826
243 H GLU 30 H GLU 30 -6.802 -5.241 4.588
244 HA GLU 30 HA GLU 30 -8.286 -7.656 5.378
245 1HB GLU 30 1HB GLU 30 -7.541 -5.146 6.870
246 2HB GLU 30 2HB GLU 30 -8.771 -6.250 7.470
247 1HG GLU 30 1HG GLU 30 -6.786 -6.838 8.573
248 2HG GLU 30 2HG GLU 30 -7.024 -8.069 7.334
249 H GLU 31 H GLU 31 -10.474 -7.728 5.344
250 HA GLU 31 HA GLU 31 -11.860 -5.406 4.189
251 1HB GLU 31 1HB GLU 31 -12.531 -8.350 4.174
252 2HB GLU 31 2HB GLU 31 -13.646 -7.107 3.623
253 1HG GLU 31 1HG GLU 31 -12.214 -6.490 1.838
254 2HG GLU 31 2HG GLU 31 -10.891 -7.465 2.477
255 H ARG 32 H ARG 32 -11.532 -4.819 6.674
256 HA ARG 32 HA ARG 32 -13.861 -5.779 8.191
257 1HB ARG 32 1HB ARG 32 -11.428 -5.819 9.120
258 2HB ARG 32 2HB ARG 32 -11.669 -4.095 9.366
259 1HG ARG 32 1HG ARG 32 -13.481 -4.482 10.862
260 2HG ARG 32 2HG ARG 32 -13.506 -6.204 10.475
261 1HD ARG 32 1HD ARG 32 -11.129 -6.287 11.360
262 2HD ARG 32 2HD ARG 32 -11.412 -4.667 11.995
263 HE ARG 32 HE ARG 32 -12.468 -7.150 13.011
264 1HH1 ARG 32 1HH1 ARG 32 -12.869 -3.670 12.932
265 2HH1 ARG 32 2HH1 ARG 32 -13.772 -3.618 14.407
266 1HH2 ARG 32 1HH2 ARG 32 -13.659 -7.074 14.953
267 2HH2 ARG 32 2HH2 ARG 32 -14.221 -5.550 15.555
268 H ARG 33 H ARG 33 -12.079 -2.746 7.554
269 HA ARG 33 HA ARG 33 -14.639 -1.336 7.399
270 1HB ARG 33 1HB ARG 33 -12.935 -1.164 9.638
271 2HB ARG 33 2HB ARG 33 -12.716 0.335 8.747
272 1HG ARG 33 1HG ARG 33 -15.080 0.793 8.845
273 2HG ARG 33 2HG ARG 33 -15.381 -0.770 9.608
274 1HD ARG 33 1HD ARG 33 -15.334 0.526 11.477
275 2HD ARG 33 2HD ARG 33 -13.612 0.174 11.350
276 HE ARG 33 HE ARG 33 -13.223 2.375 10.821
277 1HH1 ARG 33 1HH1 ARG 33 -16.668 1.761 10.663
278 2HH1 ARG 33 2HH1 ARG 33 -17.083 3.435 10.517
279 1HH2 ARG 33 1HH2 ARG 33 -13.776 4.577 10.632
280 2HH2 ARG 33 2HH2 ARG 33 -15.441 5.034 10.499
Start of MODEL 4
1 H TYR 1 H TYR 1 -14.590 13.950 1.577
2 HA TYR 1 HA TYR 1 -12.271 12.149 1.562
3 1HB TYR 1 1HB TYR 1 -15.202 11.683 0.962
4 2HB TYR 1 2HB TYR 1 -13.949 10.456 1.115
5 HD1 TYR 1 HD1 TYR 1 -12.885 10.089 3.382
6 HD2 TYR 1 HD2 TYR 1 -16.384 12.453 2.848
7 HE1 TYR 1 HE1 TYR 1 -13.389 9.877 5.780
8 HE2 TYR 1 HE2 TYR 1 -16.896 12.246 5.244
9 HH TYR 1 HH TYR 1 -16.126 10.254 7.127
10 H LYS 2 H LYS 2 -11.087 12.855 -0.178
11 HA LYS 2 HA LYS 2 -12.318 12.470 -2.787
12 1HB LYS 2 1HB LYS 2 -12.017 15.045 -1.757
13 2HB LYS 2 2HB LYS 2 -10.658 14.854 -2.853
14 1HG LYS 2 1HG LYS 2 -13.428 14.137 -3.723
15 2HG LYS 2 2HG LYS 2 -12.873 15.812 -3.753
16 1HD LYS 2 1HD LYS 2 -11.441 15.449 -5.476
17 2HD LYS 2 2HD LYS 2 -11.069 13.801 -4.961
18 1HE LYS 2 1HE LYS 2 -13.460 13.240 -5.698
19 2HE LYS 2 2HE LYS 2 -13.428 14.793 -6.532
20 1HZ LYS 2 1HZ LYS 2 -11.481 14.042 -7.764
21 2HZ LYS 2 2HZ LYS 2 -12.791 12.999 -8.007
22 3HZ LYS 2 3HZ LYS 2 -11.533 12.547 -6.971
23 H PHE 3 H PHE 3 -10.558 10.754 -1.602
24 HA PHE 3 HA PHE 3 -8.356 10.824 -3.467
25 1HB PHE 3 1HB PHE 3 -7.878 11.981 -1.015
26 2HB PHE 3 2HB PHE 3 -7.321 10.330 -0.765
27 HD1 PHE 3 HD1 PHE 3 -6.915 13.321 -2.900
28 HD2 PHE 3 HD2 PHE 3 -5.287 9.589 -1.676
29 HE1 PHE 3 HE1 PHE 3 -4.816 13.861 -4.057
30 HE2 PHE 3 HE2 PHE 3 -3.183 10.115 -2.829
31 HZ PHE 3 HZ PHE 3 -2.945 12.258 -4.027
32 H ALA 4 H ALA 4 -8.170 8.823 -4.234
33 HA ALA 4 HA ALA 4 -8.814 6.582 -2.472
34 1HB ALA 4 1HB ALA 4 -9.658 5.365 -4.421
35 2HB ALA 4 2HB ALA 4 -9.352 6.783 -5.425
36 3HB ALA 4 3HB ALA 4 -10.556 6.856 -4.138
37 H CYS 5 H CYS 5 -7.460 4.856 -2.422
38 HA CYS 5 HA CYS 5 -4.784 5.201 -3.227
39 1HB CYS 5 1HB CYS 5 -6.141 2.604 -2.478
40 2HB CYS 5 2HB CYS 5 -4.416 2.949 -2.413
41 HG CYS 5 HG CYS 5 -6.253 3.373 -0.173
42 HA PRO 6 HA PRO 6 -4.696 3.690 -7.376
43 1HB PRO 6 1HB PRO 6 -2.243 2.513 -7.460
44 2HB PRO 6 2HB PRO 6 -2.475 4.265 -7.456
45 1HG PRO 6 1HG PRO 6 -1.778 2.441 -5.188
46 2HG PRO 6 2HG PRO 6 -1.109 4.033 -5.590
47 1HD PRO 6 1HD PRO 6 -2.967 3.689 -3.659
48 2HD PRO 6 2HD PRO 6 -2.889 5.158 -4.650
49 H GLU 7 H GLU 7 -4.453 1.524 -4.687
50 HA GLU 7 HA GLU 7 -4.843 -0.799 -6.441
51 1HB GLU 7 1HB GLU 7 -2.999 -0.620 -4.567
52 2HB GLU 7 2HB GLU 7 -4.329 -1.065 -3.509
53 1HG GLU 7 1HG GLU 7 -3.120 -3.035 -4.128
54 2HG GLU 7 2HG GLU 7 -4.711 -3.075 -4.883
55 H CYS 8 H CYS 8 -6.068 0.546 -3.344
56 HA CYS 8 HA CYS 8 -8.542 -0.983 -3.773
57 1HB CYS 8 1HB CYS 8 -8.983 -0.842 -1.464
58 2HB CYS 8 2HB CYS 8 -7.304 -1.244 -1.608
59 HG CYS 8 HG CYS 8 -7.199 0.586 0.086
60 HA PRO 9 HA PRO 9 -11.056 2.532 -4.314
61 1HB PRO 9 1HB PRO 9 -13.382 1.669 -3.311
62 2HB PRO 9 2HB PRO 9 -12.637 0.898 -4.715
63 1HG PRO 9 1HG PRO 9 -12.694 0.001 -1.867
64 2HG PRO 9 2HG PRO 9 -12.824 -0.961 -3.350
65 1HD PRO 9 1HD PRO 9 -10.499 -0.629 -1.840
66 2HD PRO 9 2HD PRO 9 -10.554 -1.179 -3.516
67 H LYS 10 H LYS 10 -9.970 1.872 -1.216
68 HA LYS 10 HA LYS 10 -11.627 3.217 0.528
69 1HB LYS 10 1HB LYS 10 -8.614 3.034 0.493
70 2HB LYS 10 2HB LYS 10 -9.522 3.725 1.831
71 1HG LYS 10 1HG LYS 10 -10.372 1.039 0.978
72 2HG LYS 10 2HG LYS 10 -8.760 1.146 1.688
73 1HD LYS 10 1HD LYS 10 -9.579 1.956 3.721
74 2HD LYS 10 2HD LYS 10 -11.126 2.428 3.013
75 1HE LYS 10 1HE LYS 10 -11.590 0.495 4.266
76 2HE LYS 10 2HE LYS 10 -11.513 -0.049 2.591
77 1HZ LYS 10 1HZ LYS 10 -9.419 -0.358 4.671
78 2HZ LYS 10 2HZ LYS 10 -9.173 -0.711 3.035
79 3HZ LYS 10 3HZ LYS 10 -10.313 -1.586 3.926
80 H ARG 11 H ARG 11 -12.340 5.226 0.631
81 HA ARG 11 HA ARG 11 -10.856 7.334 -0.782
82 1HB ARG 11 1HB ARG 11 -13.083 8.591 -0.578
83 2HB ARG 11 2HB ARG 11 -13.007 7.246 -1.708
84 1HG ARG 11 1HG ARG 11 -14.276 5.855 -0.315
85 2HG ARG 11 2HG ARG 11 -14.031 6.894 1.089
86 1HD ARG 11 1HD ARG 11 -15.297 8.302 -1.112
87 2HD ARG 11 2HD ARG 11 -16.222 6.890 -0.608
88 HE ARG 11 HE ARG 11 -15.894 9.336 0.830
89 1HH1 ARG 11 1HH1 ARG 11 -16.412 5.894 1.230
90 2HH1 ARG 11 2HH1 ARG 11 -17.183 6.065 2.770
91 1HH2 ARG 11 1HH2 ARG 11 -16.910 9.550 2.864
92 2HH2 ARG 11 2HH2 ARG 11 -17.464 8.137 3.697
93 H PHE 12 H PHE 12 -9.582 8.477 0.517
94 HA PHE 12 HA PHE 12 -10.431 8.978 3.284
95 1HB PHE 12 1HB PHE 12 -7.713 9.615 2.132
96 2HB PHE 12 2HB PHE 12 -8.163 9.433 3.822
97 HD1 PHE 12 HD1 PHE 12 -7.775 7.423 4.896
98 HD2 PHE 12 HD2 PHE 12 -7.971 7.495 0.648
99 HE1 PHE 12 HE1 PHE 12 -7.092 5.060 4.825
100 HE2 PHE 12 HE2 PHE 12 -7.296 5.136 0.571
101 HZ PHE 12 HZ PHE 12 -6.850 3.911 2.658
102 H MET 13 H MET 13 -9.862 11.177 4.171
103 HA MET 13 HA MET 13 -11.069 13.176 2.488
104 1HB MET 13 1HB MET 13 -11.443 12.890 4.989
105 2HB MET 13 2HB MET 13 -9.857 13.618 5.212
106 1HG MET 13 1HG MET 13 -10.555 15.685 4.433
107 2HG MET 13 2HG MET 13 -11.953 15.010 3.598
108 1HE MET 13 1HE MET 13 -13.688 13.473 5.195
109 2HE MET 13 2HE MET 13 -14.349 15.005 4.625
110 3HE MET 13 3HE MET 13 -14.583 14.513 6.303
111 H ARG 14 H ARG 14 -7.837 12.560 3.791
112 HA ARG 14 HA ARG 14 -6.830 14.787 2.137
113 1HB ARG 14 1HB ARG 14 -5.584 13.654 4.649
114 2HB ARG 14 2HB ARG 14 -4.969 15.003 3.706
115 1HG ARG 14 1HG ARG 14 -6.055 16.260 5.198
116 2HG ARG 14 2HG ARG 14 -7.491 15.849 4.259
117 1HD ARG 14 1HD ARG 14 -8.123 14.160 5.763
118 2HD ARG 14 2HD ARG 14 -6.533 14.119 6.517
119 HE ARG 14 HE ARG 14 -8.694 15.942 7.096
120 1HH1 ARG 14 1HH1 ARG 14 -5.249 15.367 7.363
121 2HH1 ARG 14 2HH1 ARG 14 -5.052 16.435 8.712
122 1HH2 ARG 14 1HH2 ARG 14 -8.426 17.347 8.870
123 2HH2 ARG 14 2HH2 ARG 14 -6.855 17.560 9.567
124 H SER 15 H SER 15 -4.919 14.482 0.965
125 HA SER 15 HA SER 15 -4.567 11.897 -0.112
126 1HB SER 15 1HB SER 15 -2.930 12.843 -1.513
127 2HB SER 15 2HB SER 15 -4.090 14.139 -1.240
128 HG SER 15 HG SER 15 -1.451 13.947 -0.484
129 H ASP 16 H ASP 16 -2.879 13.694 2.401
130 HA ASP 16 HA ASP 16 -0.651 11.944 2.617
131 1HB ASP 16 1HB ASP 16 -0.544 12.962 5.007
132 2HB ASP 16 2HB ASP 16 -0.267 14.008 3.622
133 H HIS 17 H HIS 17 -3.847 12.025 4.109
134 HA HIS 17 HA HIS 17 -3.497 10.032 6.054
135 1HB HIS 17 1HB HIS 17 -5.846 11.117 4.544
136 2HB HIS 17 2HB HIS 17 -6.060 9.655 5.496
137 HD1 HIS 17 HD1 HIS 17 -7.669 10.952 7.082
138 HD2 HIS 17 HD2 HIS 17 -3.783 12.415 7.001
139 HE1 HIS 17 HE1 HIS 17 -7.495 12.504 9.052
140 HE2 HIS 17 HE2 HIS 17 -5.166 13.454 8.922
141 H LEU 18 H LEU 18 -4.280 9.892 2.631
142 HA LEU 18 HA LEU 18 -4.609 7.039 2.558
143 1HB LEU 18 1HB LEU 18 -5.878 8.515 1.148
144 2HB LEU 18 2HB LEU 18 -4.422 9.177 0.447
145 HG LEU 18 HG LEU 18 -5.090 6.268 0.140
146 1HD1 LEU 18 1HD1 LEU 18 -6.600 8.498 -0.802
147 2HD1 LEU 18 2HD1 LEU 18 -6.879 6.773 -1.073
148 3HD1 LEU 18 3HD1 LEU 18 -5.840 7.686 -2.171
149 1HD2 LEU 18 1HD2 LEU 18 -3.245 8.245 -1.087
150 2HD2 LEU 18 2HD2 LEU 18 -3.932 7.007 -2.137
151 3HD2 LEU 18 3HD2 LEU 18 -2.992 6.538 -0.721
152 H SER 19 H SER 19 -2.172 9.435 1.664
153 HA SER 19 HA SER 19 -0.383 7.768 0.331
154 1HB SER 19 1HB SER 19 -0.108 10.178 0.266
155 2HB SER 19 2HB SER 19 0.142 10.239 2.011
156 HG SER 19 HG SER 19 1.860 9.309 -0.011
157 H LYS 20 H LYS 20 -1.024 8.234 3.725
158 HA LYS 20 HA LYS 20 1.285 6.719 4.588
159 1HB LYS 20 1HB LYS 20 0.039 8.674 5.826
160 2HB LYS 20 2HB LYS 20 -1.029 7.388 6.370
161 1HG LYS 20 1HG LYS 20 1.346 6.282 6.956
162 2HG LYS 20 2HG LYS 20 1.754 7.990 7.123
163 1HD LYS 20 1HD LYS 20 0.955 7.748 9.209
164 2HD LYS 20 2HD LYS 20 -0.625 7.883 8.435
165 1HE LYS 20 1HE LYS 20 0.745 5.229 8.735
166 2HE LYS 20 2HE LYS 20 -0.205 5.919 10.050
167 1HZ LYS 20 1HZ LYS 20 -1.148 5.165 7.342
168 2HZ LYS 20 2HZ LYS 20 -2.074 6.091 8.412
169 3HZ LYS 20 3HZ LYS 20 -1.631 4.512 8.826
170 H HIS 21 H HIS 21 -2.158 6.214 3.983
171 HA HIS 21 HA HIS 21 -2.225 3.644 5.265
172 1HB HIS 21 1HB HIS 21 -4.347 4.495 5.249
173 2HB HIS 21 2HB HIS 21 -4.127 5.310 3.706
174 HD1 HIS 21 HD1 HIS 21 -5.984 2.606 5.114
175 HD2 HIS 21 HD2 HIS 21 -3.994 3.231 1.531
176 HE1 HIS 21 HE1 HIS 21 -6.975 0.968 3.458
177 H ILE 22 H ILE 22 -1.651 4.781 1.972
178 HA ILE 22 HA ILE 22 -1.944 2.297 0.697
179 HB ILE 22 HB ILE 22 -0.192 3.330 -0.973
180 1HG1 ILE 22 1HG1 ILE 22 -1.170 5.966 -0.364
181 2HG1 ILE 22 2HG1 ILE 22 -0.279 5.305 1.002
182 1HG2 ILE 22 1HG2 ILE 22 -2.060 4.565 -2.055
183 2HG2 ILE 22 2HG2 ILE 22 -3.016 4.309 -0.597
184 3HG2 ILE 22 3HG2 ILE 22 -2.484 2.928 -1.556
185 1HD1 ILE 22 1HD1 ILE 22 1.091 6.629 -0.598
186 2HD1 ILE 22 2HD1 ILE 22 0.788 5.377 -1.802
187 3HD1 ILE 22 3HD1 ILE 22 1.669 4.987 -0.325
188 H THR 23 H THR 23 0.953 3.792 2.056
189 HA THR 23 HA THR 23 2.789 1.881 1.244
190 HB THR 23 HB THR 23 2.847 3.302 3.912
191 HG1 THR 23 HG1 THR 23 2.824 5.020 2.706
192 1HG2 THR 23 1HG2 THR 23 4.634 1.738 3.782
193 2HG2 THR 23 2HG2 THR 23 5.299 3.347 3.499
194 3HG2 THR 23 3HG2 THR 23 5.037 2.249 2.144
195 H LEU 24 H LEU 24 0.447 1.693 3.843
196 HA LEU 24 HA LEU 24 1.567 -0.845 4.778
197 1HB LEU 24 1HB LEU 24 -0.173 -0.683 6.551
198 2HB LEU 24 2HB LEU 24 0.959 0.658 6.540
199 HG LEU 24 HG LEU 24 -0.986 1.647 4.962
200 1HD1 LEU 24 1HD1 LEU 24 -3.027 0.824 5.293
201 2HD1 LEU 24 2HD1 LEU 24 -2.773 0.654 7.031
202 3HD1 LEU 24 3HD1 LEU 24 -2.207 -0.603 5.932
203 1HD2 LEU 24 1HD2 LEU 24 -1.058 1.837 7.960
204 2HD2 LEU 24 2HD2 LEU 24 -1.604 3.038 6.790
205 3HD2 LEU 24 3HD2 LEU 24 0.116 2.678 6.947
206 H HIS 25 H HIS 25 -1.414 0.478 3.372
207 HA HIS 25 HA HIS 25 -2.804 -1.995 3.334
208 1HB HIS 25 1HB HIS 25 -4.508 -0.631 2.881
209 2HB HIS 25 2HB HIS 25 -3.402 0.715 2.724
210 HD1 HIS 25 HD1 HIS 25 -4.880 -2.027 0.523
211 HD2 HIS 25 HD2 HIS 25 -3.436 1.867 0.299
212 HE1 HIS 25 HE1 HIS 25 -5.362 -1.217 -1.823
213 H GLU 26 H GLU 26 -0.502 -0.473 1.197
214 HA GLU 26 HA GLU 26 -1.011 -2.371 -0.948
215 1HB GLU 26 1HB GLU 26 -0.328 0.007 -1.398
216 2HB GLU 26 2HB GLU 26 1.240 -0.365 -0.694
217 1HG GLU 26 1HG GLU 26 1.501 -0.501 -3.030
218 2HG GLU 26 2HG GLU 26 1.480 -2.159 -2.431
219 H LEU 27 H LEU 27 1.070 -1.950 1.815
220 HA LEU 27 HA LEU 27 3.114 -3.775 1.016
221 1HB LEU 27 1HB LEU 27 3.978 -2.579 2.718
222 2HB LEU 27 2HB LEU 27 2.404 -2.244 3.409
223 1HD1 LEU 27 1HD1 LEU 27 5.453 -3.699 4.131
224 2HD1 LEU 27 2HD1 LEU 27 4.897 -5.056 3.152
225 3HD1 LEU 27 3HD1 LEU 27 4.950 -5.199 4.909
226 1HD2 LEU 27 1HD2 LEU 27 2.044 -3.024 5.565
227 2HD2 LEU 27 2HD2 LEU 27 3.729 -2.507 5.646
228 3HD2 LEU 27 3HD2 LEU 27 3.253 -4.073 6.305
229 H LEU 28 H LEU 28 0.261 -4.095 3.128
230 HA LEU 28 HA LEU 28 0.662 -6.985 3.252
231 1HB LEU 28 1HB LEU 28 -0.115 -5.207 5.149
232 2HB LEU 28 2HB LEU 28 -1.673 -5.783 4.593
233 HG LEU 28 HG LEU 28 -0.871 -7.025 6.552
234 1HD1 LEU 28 1HD1 LEU 28 -0.855 -8.790 4.115
235 2HD1 LEU 28 2HD1 LEU 28 -2.314 -8.081 4.806
236 3HD1 LEU 28 3HD1 LEU 28 -1.352 -9.214 5.753
237 1HD2 LEU 28 1HD2 LEU 28 1.572 -6.779 5.877
238 2HD2 LEU 28 2HD2 LEU 28 1.300 -8.164 4.819
239 3HD2 LEU 28 3HD2 LEU 28 1.079 -8.329 6.560
240 H GLY 29 H GLY 29 -2.075 -4.767 2.595
241 1HA GLY 29 1HA GLY 29 -3.576 -4.902 0.798
242 2HA GLY 29 2HA GLY 29 -2.915 -6.477 0.388
243 H GLU 30 H GLU 30 -4.936 -4.793 2.766
244 HA GLU 30 HA GLU 30 -6.781 -7.022 2.784
245 1HB GLU 30 1HB GLU 30 -6.658 -7.556 5.078
246 2HB GLU 30 2HB GLU 30 -4.991 -7.518 4.524
247 1HG GLU 30 1HG GLU 30 -6.183 -5.067 5.736
248 2HG GLU 30 2HG GLU 30 -5.678 -6.395 6.777
249 H GLU 31 H GLU 31 -8.809 -6.531 3.815
250 HA GLU 31 HA GLU 31 -9.313 -3.638 3.935
251 1HB GLU 31 1HB GLU 31 -11.145 -5.961 3.333
252 2HB GLU 31 2HB GLU 31 -11.724 -4.321 3.595
253 1HG GLU 31 1HG GLU 31 -9.836 -5.211 1.424
254 2HG GLU 31 2HG GLU 31 -11.544 -4.824 1.227
255 H ARG 32 H ARG 32 -11.011 -2.920 5.451
256 HA ARG 32 HA ARG 32 -10.407 -3.735 8.095
257 1HB ARG 32 1HB ARG 32 -11.168 -1.436 7.305
258 2HB ARG 32 2HB ARG 32 -12.798 -2.095 7.265
259 1HG ARG 32 1HG ARG 32 -11.871 -2.786 9.777
260 2HG ARG 32 2HG ARG 32 -11.224 -1.165 9.511
261 1HD ARG 32 1HD ARG 32 -13.375 -0.964 10.554
262 2HD ARG 32 2HD ARG 32 -13.507 -0.416 8.884
263 HE ARG 32 HE ARG 32 -14.191 -3.177 9.192
264 1HH1 ARG 32 1HH1 ARG 32 -15.431 0.081 9.517
265 2HH1 ARG 32 2HH1 ARG 32 -17.079 -0.393 9.283
266 1HH2 ARG 32 1HH2 ARG 32 -16.362 -3.796 8.886
267 2HH2 ARG 32 2HH2 ARG 32 -17.609 -2.595 8.927
268 H ARG 33 H ARG 33 -11.427 -5.068 9.486
269 HA ARG 33 HA ARG 33 -13.280 -6.981 8.459
270 1HB ARG 33 1HB ARG 33 -12.249 -6.483 11.256
271 2HB ARG 33 2HB ARG 33 -13.301 -7.824 10.829
272 1HG ARG 33 1HG ARG 33 -10.669 -7.382 9.459
273 2HG ARG 33 2HG ARG 33 -10.801 -8.280 10.973
274 1HD ARG 33 1HD ARG 33 -10.984 -10.000 9.480
275 2HD ARG 33 2HD ARG 33 -12.684 -9.565 9.652
276 HE ARG 33 HE ARG 33 -11.419 -8.143 7.524
277 1HH1 ARG 33 1HH1 ARG 33 -12.867 -11.216 8.369
278 2HH1 ARG 33 2HH1 ARG 33 -13.300 -11.600 6.737
279 1HH2 ARG 33 1HH2 ARG 33 -12.002 -8.650 5.377
280 2HH2 ARG 33 2HH2 ARG 33 -12.811 -10.144 5.039
Start of MODEL 5
1 H TYR 1 H TYR 1 -12.704 15.192 1.315
2 HA TYR 1 HA TYR 1 -12.372 12.923 1.260
3 1HB TYR 1 1HB TYR 1 -14.274 11.363 0.801
4 2HB TYR 1 2HB TYR 1 -14.402 12.195 2.344
5 HD1 TYR 1 HD1 TYR 1 -15.952 11.585 -0.858
6 HD2 TYR 1 HD2 TYR 1 -16.019 14.107 2.569
7 HE1 TYR 1 HE1 TYR 1 -18.207 12.347 -1.470
8 HE2 TYR 1 HE2 TYR 1 -18.274 14.876 1.966
9 HH TYR 1 HH TYR 1 -19.574 14.863 -0.693
10 H LYS 2 H LYS 2 -11.243 12.827 -0.559
11 HA LYS 2 HA LYS 2 -12.434 12.409 -3.085
12 1HB LYS 2 1HB LYS 2 -11.486 14.517 -4.173
13 2HB LYS 2 2HB LYS 2 -12.952 14.705 -3.222
14 1HG LYS 2 1HG LYS 2 -11.942 15.985 -1.661
15 2HG LYS 2 2HG LYS 2 -10.411 15.117 -1.780
16 1HD LYS 2 1HD LYS 2 -9.901 16.262 -3.865
17 2HD LYS 2 2HD LYS 2 -11.459 17.089 -3.810
18 1HE LYS 2 1HE LYS 2 -9.959 18.673 -2.984
19 2HE LYS 2 2HE LYS 2 -10.686 17.982 -1.534
20 1HZ LYS 2 1HZ LYS 2 -8.266 18.216 -1.361
21 2HZ LYS 2 2HZ LYS 2 -8.064 17.166 -2.671
22 3HZ LYS 2 3HZ LYS 2 -8.751 16.601 -1.231
23 H PHE 3 H PHE 3 -10.616 10.906 -1.816
24 HA PHE 3 HA PHE 3 -8.408 10.907 -3.651
25 1HB PHE 3 1HB PHE 3 -7.939 12.508 -1.554
26 2HB PHE 3 2HB PHE 3 -7.470 10.976 -0.829
27 HD1 PHE 3 HD1 PHE 3 -6.664 13.482 -3.357
28 HD2 PHE 3 HD2 PHE 3 -5.544 9.760 -1.643
29 HE1 PHE 3 HE1 PHE 3 -4.460 13.649 -4.437
30 HE2 PHE 3 HE2 PHE 3 -3.337 9.911 -2.713
31 HZ PHE 3 HZ PHE 3 -2.793 11.864 -4.118
32 H ALA 4 H ALA 4 -8.563 8.831 -4.222
33 HA ALA 4 HA ALA 4 -8.860 6.806 -2.136
34 1HB ALA 4 1HB ALA 4 -9.662 6.818 -5.024
35 2HB ALA 4 2HB ALA 4 -10.678 6.599 -3.599
36 3HB ALA 4 3HB ALA 4 -9.560 5.326 -4.089
37 H CYS 5 H CYS 5 -7.525 4.993 -2.088
38 HA CYS 5 HA CYS 5 -4.848 5.380 -2.884
39 1HB CYS 5 1HB CYS 5 -6.202 2.819 -2.019
40 2HB CYS 5 2HB CYS 5 -4.467 3.106 -2.059
41 HG CYS 5 HG CYS 5 -5.922 3.503 0.326
42 HA PRO 6 HA PRO 6 -4.637 3.767 -6.988
43 1HB PRO 6 1HB PRO 6 -2.126 2.401 -6.268
44 2HB PRO 6 2HB PRO 6 -2.406 3.689 -7.442
45 1HG PRO 6 1HG PRO 6 -1.118 4.147 -5.135
46 2HG PRO 6 2HG PRO 6 -2.189 5.358 -5.865
47 1HD PRO 6 1HD PRO 6 -2.709 3.500 -3.575
48 2HD PRO 6 2HD PRO 6 -3.162 5.207 -3.769
49 H GLU 7 H GLU 7 -4.388 1.631 -4.238
50 HA GLU 7 HA GLU 7 -4.832 -0.716 -5.931
51 1HB GLU 7 1HB GLU 7 -3.604 -0.264 -3.304
52 2HB GLU 7 2HB GLU 7 -4.637 -1.685 -3.379
53 1HG GLU 7 1HG GLU 7 -2.833 -2.734 -4.149
54 2HG GLU 7 2HG GLU 7 -3.185 -1.925 -5.674
55 H CYS 8 H CYS 8 -6.234 0.796 -2.983
56 HA CYS 8 HA CYS 8 -8.641 -0.814 -3.442
57 1HB CYS 8 1HB CYS 8 -9.316 -0.268 -1.184
58 2HB CYS 8 2HB CYS 8 -7.714 -0.948 -1.194
59 HG CYS 8 HG CYS 8 -7.335 1.001 0.307
60 HA PRO 9 HA PRO 9 -11.165 2.562 -4.558
61 1HB PRO 9 1HB PRO 9 -13.566 1.627 -3.841
62 2HB PRO 9 2HB PRO 9 -12.607 0.830 -5.094
63 1HG PRO 9 1HG PRO 9 -13.019 0.054 -2.240
64 2HG PRO 9 2HG PRO 9 -12.898 -0.975 -3.677
65 1HD PRO 9 1HD PRO 9 -10.826 -0.458 -1.875
66 2HD PRO 9 2HD PRO 9 -10.625 -1.096 -3.512
67 H LYS 10 H LYS 10 -10.633 1.891 -1.273
68 HA LYS 10 HA LYS 10 -12.541 3.370 0.079
69 1HB LYS 10 1HB LYS 10 -9.685 2.678 0.657
70 2HB LYS 10 2HB LYS 10 -10.542 3.781 1.724
71 1HG LYS 10 1HG LYS 10 -11.494 1.009 1.030
72 2HG LYS 10 2HG LYS 10 -10.562 1.414 2.472
73 1HD LYS 10 1HD LYS 10 -12.503 1.824 3.488
74 2HD LYS 10 2HD LYS 10 -12.659 3.245 2.454
75 1HE LYS 10 1HE LYS 10 -13.563 1.406 0.751
76 2HE LYS 10 2HE LYS 10 -13.975 0.593 2.261
77 1HZ LYS 10 1HZ LYS 10 -15.804 1.948 1.499
78 2HZ LYS 10 2HZ LYS 10 -14.824 3.325 1.462
79 3HZ LYS 10 3HZ LYS 10 -15.188 2.587 2.940
80 H ARG 11 H ARG 11 -13.043 5.439 0.133
81 HA ARG 11 HA ARG 11 -11.211 7.381 -1.062
82 1HB ARG 11 1HB ARG 11 -13.138 8.887 -1.158
83 2HB ARG 11 2HB ARG 11 -13.499 7.351 -1.931
84 1HG ARG 11 1HG ARG 11 -14.462 6.777 0.463
85 2HG ARG 11 2HG ARG 11 -14.600 8.533 0.560
86 1HD ARG 11 1HD ARG 11 -15.994 8.611 -1.367
87 2HD ARG 11 2HD ARG 11 -15.673 6.919 -1.745
88 HE ARG 11 HE ARG 11 -16.834 7.068 0.802
89 1HH1 ARG 11 1HH1 ARG 11 -17.701 7.583 -2.550
90 2HH1 ARG 11 2HH1 ARG 11 -19.371 7.197 -2.304
91 1HH2 ARG 11 1HH2 ARG 11 -19.030 6.558 1.120
92 2HH2 ARG 11 2HH2 ARG 11 -20.126 6.615 -0.219
93 H PHE 12 H PHE 12 -9.904 8.451 0.239
94 HA PHE 12 HA PHE 12 -10.538 8.724 3.073
95 1HB PHE 12 1HB PHE 12 -8.040 9.528 1.569
96 2HB PHE 12 2HB PHE 12 -8.236 9.547 3.310
97 HD1 PHE 12 HD1 PHE 12 -6.995 7.932 4.333
98 HD2 PHE 12 HD2 PHE 12 -8.870 6.991 0.627
99 HE1 PHE 12 HE1 PHE 12 -6.083 5.651 4.452
100 HE2 PHE 12 HE2 PHE 12 -7.969 4.708 0.747
101 HZ PHE 12 HZ PHE 12 -6.558 4.029 2.655
102 H MET 13 H MET 13 -9.516 11.015 3.904
103 HA MET 13 HA MET 13 -11.220 13.015 2.636
104 1HB MET 13 1HB MET 13 -9.901 12.791 5.318
105 2HB MET 13 2HB MET 13 -10.468 14.352 4.740
106 1HG MET 13 1HG MET 13 -12.693 13.689 4.749
107 2HG MET 13 2HG MET 13 -12.281 11.976 4.758
108 1HE MET 13 1HE MET 13 -13.412 10.908 6.882
109 2HE MET 13 2HE MET 13 -14.411 12.313 6.510
110 3HE MET 13 3HE MET 13 -13.947 11.978 8.178
111 H ARG 14 H ARG 14 -7.811 12.405 3.310
112 HA ARG 14 HA ARG 14 -7.129 14.683 1.573
113 1HB ARG 14 1HB ARG 14 -5.788 13.968 4.186
114 2HB ARG 14 2HB ARG 14 -5.167 15.145 3.040
115 1HG ARG 14 1HG ARG 14 -6.914 16.643 3.454
116 2HG ARG 14 2HG ARG 14 -7.909 15.406 4.225
117 1HD ARG 14 1HD ARG 14 -7.119 16.608 6.037
118 2HD ARG 14 2HD ARG 14 -5.977 15.270 5.941
119 HE ARG 14 HE ARG 14 -5.034 17.472 4.438
120 1HH1 ARG 14 1HH1 ARG 14 -5.439 16.397 7.746
121 2HH1 ARG 14 2HH1 ARG 14 -4.125 17.352 8.345
122 1HH2 ARG 14 1HH2 ARG 14 -3.304 18.726 5.233
123 2HH2 ARG 14 2HH2 ARG 14 -2.913 18.675 6.920
124 H SER 15 H SER 15 -4.918 14.545 0.670
125 HA SER 15 HA SER 15 -4.430 12.026 -0.496
126 1HB SER 15 1HB SER 15 -2.335 13.090 -1.344
127 2HB SER 15 2HB SER 15 -3.777 14.053 -1.650
128 HG SER 15 HG SER 15 -3.057 15.555 -0.344
129 H ASP 16 H ASP 16 -2.837 13.759 2.160
130 HA ASP 16 HA ASP 16 -0.767 11.891 2.591
131 1HB ASP 16 1HB ASP 16 -0.771 12.920 4.961
132 2HB ASP 16 2HB ASP 16 -0.396 13.965 3.598
133 H HIS 17 H HIS 17 -4.108 12.000 3.657
134 HA HIS 17 HA HIS 17 -4.049 10.171 5.758
135 1HB HIS 17 1HB HIS 17 -6.161 10.844 3.717
136 2HB HIS 17 2HB HIS 17 -6.446 9.630 4.954
137 HD1 HIS 17 HD1 HIS 17 -8.387 11.450 5.587
138 HD2 HIS 17 HD2 HIS 17 -4.458 12.505 6.427
139 HE1 HIS 17 HE1 HIS 17 -8.536 13.347 7.232
140 HE2 HIS 17 HE2 HIS 17 -6.148 14.004 7.684
141 H LEU 18 H LEU 18 -3.843 9.677 2.305
142 HA LEU 18 HA LEU 18 -4.144 6.792 2.507
143 1HB LEU 18 1HB LEU 18 -3.422 8.562 0.184
144 2HB LEU 18 2HB LEU 18 -3.643 6.830 0.083
145 HG LEU 18 HG LEU 18 -6.022 7.250 0.908
146 1HD1 LEU 18 1HD1 LEU 18 -5.082 10.031 0.335
147 2HD1 LEU 18 2HD1 LEU 18 -6.031 9.433 1.694
148 3HD1 LEU 18 3HD1 LEU 18 -6.771 9.585 0.101
149 1HD2 LEU 18 1HD2 LEU 18 -6.653 8.049 -1.449
150 2HD2 LEU 18 2HD2 LEU 18 -5.751 6.544 -1.287
151 3HD2 LEU 18 3HD2 LEU 18 -4.918 8.024 -1.758
152 H SER 19 H SER 19 -1.674 9.132 1.486
153 HA SER 19 HA SER 19 0.412 7.614 0.825
154 1HB SER 19 1HB SER 19 0.692 9.981 0.836
155 2HB SER 19 2HB SER 19 0.437 10.078 2.578
156 HG SER 19 HG SER 19 2.460 9.558 2.900
157 H LYS 20 H LYS 20 -0.587 8.133 4.191
158 HA LYS 20 HA LYS 20 1.554 6.521 5.253
159 1HB LYS 20 1HB LYS 20 -0.788 7.986 6.369
160 2HB LYS 20 2HB LYS 20 -0.115 6.677 7.329
161 1HG LYS 20 1HG LYS 20 2.144 7.996 6.708
162 2HG LYS 20 2HG LYS 20 0.992 9.334 6.706
163 1HD LYS 20 1HD LYS 20 0.276 8.743 8.958
164 2HD LYS 20 2HD LYS 20 1.376 7.362 8.960
165 1HE LYS 20 1HE LYS 20 3.286 8.845 8.799
166 2HE LYS 20 2HE LYS 20 2.222 10.245 8.683
167 1HZ LYS 20 1HZ LYS 20 3.099 9.985 10.915
168 2HZ LYS 20 2HZ LYS 20 2.444 8.430 11.025
169 3HZ LYS 20 3HZ LYS 20 1.420 9.772 10.916
170 H HIS 21 H HIS 21 -1.808 6.053 4.349
171 HA HIS 21 HA HIS 21 -1.984 3.423 5.524
172 1HB HIS 21 1HB HIS 21 -4.067 4.383 5.545
173 2HB HIS 21 2HB HIS 21 -3.809 5.244 4.037
174 HD1 HIS 21 HD1 HIS 21 -5.977 2.801 5.266
175 HD2 HIS 21 HD2 HIS 21 -3.625 3.018 1.855
176 HE1 HIS 21 HE1 HIS 21 -7.038 1.249 3.572
177 H ILE 22 H ILE 22 -1.484 4.740 2.253
178 HA ILE 22 HA ILE 22 -1.809 2.308 0.893
179 HB ILE 22 HB ILE 22 -0.299 3.405 -0.881
180 1HG1 ILE 22 1HG1 ILE 22 -0.887 6.068 -0.106
181 2HG1 ILE 22 2HG1 ILE 22 -0.066 5.282 1.239
182 1HG2 ILE 22 1HG2 ILE 22 -2.335 5.203 -1.120
183 2HG2 ILE 22 2HG2 ILE 22 -3.046 3.992 -0.054
184 3HG2 ILE 22 3HG2 ILE 22 -2.413 3.515 -1.629
185 1HD1 ILE 22 1HD1 ILE 22 1.847 4.845 -0.037
186 2HD1 ILE 22 2HD1 ILE 22 1.374 6.490 -0.466
187 3HD1 ILE 22 3HD1 ILE 22 1.001 5.152 -1.554
188 H THR 23 H THR 23 1.171 3.843 2.046
189 HA THR 23 HA THR 23 3.013 2.099 1.041
190 HB THR 23 HB THR 23 3.045 3.309 3.815
191 HG1 THR 23 HG1 THR 23 3.089 5.044 2.616
192 1HG2 THR 23 1HG2 THR 23 4.797 1.731 3.784
193 2HG2 THR 23 2HG2 THR 23 5.534 3.302 3.468
194 3HG2 THR 23 3HG2 THR 23 5.264 2.173 2.141
195 H LEU 24 H LEU 24 0.777 1.449 3.644
196 HA LEU 24 HA LEU 24 2.027 -1.172 4.119
197 1HB LEU 24 1HB LEU 24 0.511 -1.304 6.071
198 2HB LEU 24 2HB LEU 24 1.582 0.087 6.137
199 HG LEU 24 HG LEU 24 -0.577 1.116 4.866
200 1HD1 LEU 24 1HD1 LEU 24 -2.059 -0.094 7.042
201 2HD1 LEU 24 2HD1 LEU 24 -1.565 -1.258 5.813
202 3HD1 LEU 24 3HD1 LEU 24 -2.512 0.161 5.354
203 1HD2 LEU 24 1HD2 LEU 24 -0.984 2.347 6.862
204 2HD2 LEU 24 2HD2 LEU 24 0.749 2.030 6.786
205 3HD2 LEU 24 3HD2 LEU 24 -0.276 1.076 7.858
206 H HIS 25 H HIS 25 -1.024 0.382 3.205
207 HA HIS 25 HA HIS 25 -2.505 -2.007 2.960
208 1HB HIS 25 1HB HIS 25 -4.154 -0.499 2.883
209 2HB HIS 25 2HB HIS 25 -3.025 0.805 2.602
210 HD1 HIS 25 HD1 HIS 25 -5.003 -1.762 0.620
211 HD2 HIS 25 HD2 HIS 25 -3.237 1.979 0.187
212 HE1 HIS 25 HE1 HIS 25 -5.748 -0.875 -1.625
213 H GLU 26 H GLU 26 -0.315 -0.326 0.810
214 HA GLU 26 HA GLU 26 -1.125 -1.681 -1.563
215 1HB GLU 26 1HB GLU 26 0.896 -0.855 -2.555
216 2HB GLU 26 2HB GLU 26 0.253 0.414 -1.525
217 1HG GLU 26 1HG GLU 26 1.867 -0.459 0.251
218 2HG GLU 26 2HG GLU 26 2.631 -1.348 -1.065
219 H LEU 27 H LEU 27 0.621 -2.603 1.262
220 HA LEU 27 HA LEU 27 1.670 -5.001 -0.109
221 1HB LEU 27 1HB LEU 27 2.417 -3.689 2.497
222 2HB LEU 27 2HB LEU 27 2.935 -5.313 2.085
223 1HD1 LEU 27 1HD1 LEU 27 2.798 -1.939 1.144
224 2HD1 LEU 27 2HD1 LEU 27 4.111 -1.894 -0.035
225 3HD1 LEU 27 3HD1 LEU 27 4.475 -1.880 1.690
226 1HD2 LEU 27 1HD2 LEU 27 5.624 -3.483 2.109
227 2HD2 LEU 27 2HD2 LEU 27 5.829 -4.605 0.763
228 3HD2 LEU 27 3HD2 LEU 27 4.952 -5.111 2.206
229 H LEU 28 H LEU 28 0.903 -4.684 3.330
230 HA LEU 28 HA LEU 28 -0.958 -6.942 3.047
231 1HB LEU 28 1HB LEU 28 1.190 -6.866 4.609
232 2HB LEU 28 2HB LEU 28 0.076 -6.070 5.703
233 HG LEU 28 HG LEU 28 -1.340 -8.299 4.872
234 1HD1 LEU 28 1HD1 LEU 28 0.142 -10.189 5.163
235 2HD1 LEU 28 2HD1 LEU 28 1.519 -9.109 5.380
236 3HD1 LEU 28 3HD1 LEU 28 0.698 -9.190 3.821
237 1HD2 LEU 28 1HD2 LEU 28 -0.938 -9.108 7.145
238 2HD2 LEU 28 2HD2 LEU 28 -1.271 -7.376 7.127
239 3HD2 LEU 28 3HD2 LEU 28 0.385 -7.954 7.323
240 H GLY 29 H GLY 29 -2.371 -5.029 2.251
241 1HA GLY 29 1HA GLY 29 -3.424 -3.232 4.203
242 2HA GLY 29 2HA GLY 29 -4.092 -3.542 2.610
243 H GLU 30 H GLU 30 -5.671 -3.121 4.873
244 HA GLU 30 HA GLU 30 -6.539 -5.569 6.040
245 1HB GLU 30 1HB GLU 30 -8.342 -4.281 6.997
246 2HB GLU 30 2HB GLU 30 -6.862 -3.339 7.093
247 1HG GLU 30 1HG GLU 30 -7.661 -2.248 4.906
248 2HG GLU 30 2HG GLU 30 -9.231 -2.940 5.309
249 H GLU 31 H GLU 31 -8.178 -6.934 5.490
250 HA GLU 31 HA GLU 31 -9.281 -6.609 2.800
251 1HB GLU 31 1HB GLU 31 -8.970 -8.961 4.649
252 2HB GLU 31 2HB GLU 31 -10.056 -9.037 3.267
253 1HG GLU 31 1HG GLU 31 -8.149 -8.469 1.795
254 2HG GLU 31 2HG GLU 31 -7.089 -8.539 3.201
255 H ARG 32 H ARG 32 -10.688 -4.871 3.667
256 HA ARG 32 HA ARG 32 -13.020 -5.900 5.131
257 1HB ARG 32 1HB ARG 32 -11.528 -3.548 5.431
258 2HB ARG 32 2HB ARG 32 -13.038 -3.038 4.691
259 1HG ARG 32 1HG ARG 32 -14.256 -3.502 6.529
260 2HG ARG 32 2HG ARG 32 -13.281 -4.910 6.954
261 1HD ARG 32 1HD ARG 32 -11.683 -3.631 8.047
262 2HD ARG 32 2HD ARG 32 -12.142 -2.154 7.202
263 HE ARG 32 HE ARG 32 -13.325 -3.232 9.600
264 1HH1 ARG 32 1HH1 ARG 32 -13.788 -1.075 6.878
265 2HH1 ARG 32 2HH1 ARG 32 -14.979 -0.115 7.686
266 1HH2 ARG 32 1HH2 ARG 32 -14.897 -1.957 10.658
267 2HH2 ARG 32 2HH2 ARG 32 -15.609 -0.614 9.828
268 H ARG 33 H ARG 33 -15.040 -5.861 4.273
269 HA ARG 33 HA ARG 33 -15.274 -5.645 1.425
270 1HB ARG 33 1HB ARG 33 -17.293 -6.171 3.606
271 2HB ARG 33 2HB ARG 33 -17.719 -6.117 1.901
272 1HG ARG 33 1HG ARG 33 -16.302 -7.995 1.428
273 2HG ARG 33 2HG ARG 33 -15.680 -7.992 3.080
274 1HD ARG 33 1HD ARG 33 -18.251 -8.217 3.660
275 2HD ARG 33 2HD ARG 33 -18.314 -8.897 2.034
276 HE ARG 33 HE ARG 33 -16.233 -10.178 3.313
277 1HH1 ARG 33 1HH1 ARG 33 -19.683 -9.838 3.807
278 2HH1 ARG 33 2HH1 ARG 33 -19.849 -11.381 4.575
279 1HH2 ARG 33 1HH2 ARG 33 -16.457 -12.210 4.325
280 2HH2 ARG 33 2HH2 ARG 33 -18.018 -12.727 4.869
Start of MODEL 6
1 H TYR 1 H TYR 1 -12.718 14.399 2.287
2 HA TYR 1 HA TYR 1 -12.231 12.073 1.590
3 1HB TYR 1 1HB TYR 1 -14.713 11.542 1.579
4 2HB TYR 1 2HB TYR 1 -14.160 12.555 2.906
5 HD1 TYR 1 HD1 TYR 1 -14.806 14.906 3.032
6 HD2 TYR 1 HD2 TYR 1 -16.169 12.433 -0.152
7 HE1 TYR 1 HE1 TYR 1 -16.500 16.591 2.455
8 HE2 TYR 1 HE2 TYR 1 -17.865 14.112 -0.738
9 HH TYR 1 HH TYR 1 -17.868 17.013 -0.139
10 H LYS 2 H LYS 2 -11.398 13.329 -0.783
11 HA LYS 2 HA LYS 2 -12.854 11.726 -2.772
12 1HB LYS 2 1HB LYS 2 -12.441 13.519 -4.443
13 2HB LYS 2 2HB LYS 2 -13.521 14.010 -3.147
14 1HG LYS 2 1HG LYS 2 -11.502 15.064 -2.042
15 2HG LYS 2 2HG LYS 2 -10.649 14.789 -3.562
16 1HD LYS 2 1HD LYS 2 -13.275 16.246 -3.458
17 2HD LYS 2 2HD LYS 2 -11.739 17.078 -3.208
18 1HE LYS 2 1HE LYS 2 -11.131 15.779 -5.451
19 2HE LYS 2 2HE LYS 2 -12.877 15.872 -5.669
20 1HZ LYS 2 1HZ LYS 2 -11.819 17.764 -6.680
21 2HZ LYS 2 2HZ LYS 2 -11.036 18.162 -5.235
22 3HZ LYS 2 3HZ LYS 2 -12.719 18.285 -5.345
23 H PHE 3 H PHE 3 -10.585 10.839 -1.398
24 HA PHE 3 HA PHE 3 -8.640 10.737 -3.601
25 1HB PHE 3 1HB PHE 3 -8.060 12.148 -1.396
26 2HB PHE 3 2HB PHE 3 -7.584 10.554 -0.824
27 HD1 PHE 3 HD1 PHE 3 -7.141 12.744 -3.816
28 HD2 PHE 3 HD2 PHE 3 -5.410 9.895 -1.174
29 HE1 PHE 3 HE1 PHE 3 -4.987 12.970 -4.982
30 HE2 PHE 3 HE2 PHE 3 -3.256 10.110 -2.332
31 HZ PHE 3 HZ PHE 3 -3.041 11.654 -4.242
32 H ALA 4 H ALA 4 -8.422 8.723 -4.291
33 HA ALA 4 HA ALA 4 -8.878 6.527 -2.416
34 1HB ALA 4 1HB ALA 4 -10.594 6.644 -4.144
35 2HB ALA 4 2HB ALA 4 -9.625 5.180 -4.308
36 3HB ALA 4 3HB ALA 4 -9.350 6.545 -5.389
37 H CYS 5 H CYS 5 -7.372 4.954 -2.211
38 HA CYS 5 HA CYS 5 -4.722 5.424 -3.002
39 1HB CYS 5 1HB CYS 5 -5.866 2.740 -2.222
40 2HB CYS 5 2HB CYS 5 -4.207 3.289 -2.038
41 HG CYS 5 HG CYS 5 -5.046 4.891 -0.131
42 HA PRO 6 HA PRO 6 -4.373 3.746 -7.077
43 1HB PRO 6 1HB PRO 6 -1.950 2.471 -6.922
44 2HB PRO 6 2HB PRO 6 -2.134 4.218 -7.104
45 1HG PRO 6 1HG PRO 6 -1.592 2.615 -4.638
46 2HG PRO 6 2HG PRO 6 -0.895 4.165 -5.144
47 1HD PRO 6 1HD PRO 6 -2.846 4.003 -3.292
48 2HD PRO 6 2HD PRO 6 -2.729 5.367 -4.420
49 H GLU 7 H GLU 7 -4.217 1.690 -4.276
50 HA GLU 7 HA GLU 7 -4.576 -0.726 -5.880
51 1HB GLU 7 1HB GLU 7 -3.901 -0.235 -2.995
52 2HB GLU 7 2HB GLU 7 -4.440 -1.812 -3.546
53 1HG GLU 7 1HG GLU 7 -2.146 -2.006 -3.608
54 2HG GLU 7 2HG GLU 7 -2.541 -1.602 -5.278
55 H CYS 8 H CYS 8 -6.113 0.838 -3.022
56 HA CYS 8 HA CYS 8 -8.584 -0.590 -3.725
57 1HB CYS 8 1HB CYS 8 -9.351 -0.232 -1.470
58 2HB CYS 8 2HB CYS 8 -7.787 -0.991 -1.449
59 HG CYS 8 HG CYS 8 -8.068 1.026 0.320
60 HA PRO 9 HA PRO 9 -10.791 3.075 -4.609
61 1HB PRO 9 1HB PRO 9 -13.280 2.179 -4.299
62 2HB PRO 9 2HB PRO 9 -12.207 1.462 -5.507
63 1HG PRO 9 1HG PRO 9 -12.977 0.434 -2.806
64 2HG PRO 9 2HG PRO 9 -12.758 -0.456 -4.324
65 1HD PRO 9 1HD PRO 9 -10.854 -0.237 -2.281
66 2HD PRO 9 2HD PRO 9 -10.525 -0.730 -3.947
67 H LYS 10 H LYS 10 -10.312 2.229 -1.468
68 HA LYS 10 HA LYS 10 -12.394 3.375 -0.021
69 1HB LYS 10 1HB LYS 10 -10.060 2.084 0.608
70 2HB LYS 10 2HB LYS 10 -9.731 3.720 1.165
71 1HG LYS 10 1HG LYS 10 -10.771 3.143 3.039
72 2HG LYS 10 2HG LYS 10 -12.272 3.230 2.112
73 1HD LYS 10 1HD LYS 10 -12.397 0.940 1.848
74 2HD LYS 10 2HD LYS 10 -10.660 0.716 2.061
75 1HE LYS 10 1HE LYS 10 -12.217 1.781 4.356
76 2HE LYS 10 2HE LYS 10 -12.414 0.077 3.950
77 1HZ LYS 10 1HZ LYS 10 -9.814 1.409 4.492
78 2HZ LYS 10 2HZ LYS 10 -10.045 -0.237 4.178
79 3HZ LYS 10 3HZ LYS 10 -10.663 0.448 5.595
80 H ARG 11 H ARG 11 -12.942 5.364 0.531
81 HA ARG 11 HA ARG 11 -11.313 7.595 -0.475
82 1HB ARG 11 1HB ARG 11 -13.445 8.938 -0.087
83 2HB ARG 11 2HB ARG 11 -13.492 7.755 -1.386
84 1HG ARG 11 1HG ARG 11 -14.433 6.881 1.286
85 2HG ARG 11 2HG ARG 11 -15.447 8.012 0.389
86 1HD ARG 11 1HD ARG 11 -14.374 5.583 -0.979
87 2HD ARG 11 2HD ARG 11 -15.759 5.430 0.099
88 HE ARG 11 HE ARG 11 -16.469 7.468 -1.534
89 1HH1 ARG 11 1HH1 ARG 11 -15.313 4.219 -2.144
90 2HH1 ARG 11 2HH1 ARG 11 -16.172 4.063 -3.639
91 1HH2 ARG 11 1HH2 ARG 11 -17.596 7.257 -3.505
92 2HH2 ARG 11 2HH2 ARG 11 -17.467 5.788 -4.412
93 H PHE 12 H PHE 12 -10.103 8.625 0.968
94 HA PHE 12 HA PHE 12 -10.735 8.353 3.807
95 1HB PHE 12 1HB PHE 12 -8.255 9.448 2.460
96 2HB PHE 12 2HB PHE 12 -8.456 9.225 4.191
97 HD1 PHE 12 HD1 PHE 12 -7.277 7.459 5.025
98 HD2 PHE 12 HD2 PHE 12 -8.967 7.114 1.132
99 HE1 PHE 12 HE1 PHE 12 -6.350 5.191 4.823
100 HE2 PHE 12 HE2 PHE 12 -8.046 4.848 0.929
101 HZ PHE 12 HZ PHE 12 -6.729 3.880 2.772
102 H MET 13 H MET 13 -8.892 11.118 2.796
103 HA MET 13 HA MET 13 -11.077 12.971 2.777
104 1HB MET 13 1HB MET 13 -9.869 12.307 5.282
105 2HB MET 13 2HB MET 13 -9.432 13.959 4.876
106 1HG MET 13 1HG MET 13 -11.648 14.669 4.856
107 2HG MET 13 2HG MET 13 -12.270 13.027 4.711
108 1HE MET 13 1HE MET 13 -13.910 12.693 6.857
109 2HE MET 13 2HE MET 13 -13.860 14.412 6.463
110 3HE MET 13 3HE MET 13 -13.733 13.888 8.142
111 H ARG 14 H ARG 14 -7.584 12.634 3.350
112 HA ARG 14 HA ARG 14 -7.111 14.727 1.332
113 1HB ARG 14 1HB ARG 14 -5.711 14.333 3.978
114 2HB ARG 14 2HB ARG 14 -5.052 15.323 2.685
115 1HG ARG 14 1HG ARG 14 -6.109 16.965 3.802
116 2HG ARG 14 2HG ARG 14 -7.494 16.408 2.863
117 1HD ARG 14 1HD ARG 14 -7.590 14.735 5.004
118 2HD ARG 14 2HD ARG 14 -6.952 16.204 5.743
119 HE ARG 14 HE ARG 14 -9.215 16.741 4.093
120 1HH1 ARG 14 1HH1 ARG 14 -8.282 15.556 7.253
121 2HH1 ARG 14 2HH1 ARG 14 -9.777 16.009 7.998
122 1HH2 ARG 14 1HH2 ARG 14 -11.182 17.334 5.080
123 2HH2 ARG 14 2HH2 ARG 14 -11.425 17.018 6.765
124 H SER 15 H SER 15 -4.776 14.621 0.512
125 HA SER 15 HA SER 15 -4.325 12.099 -0.634
126 1HB SER 15 1HB SER 15 -2.159 13.095 -1.401
127 2HB SER 15 2HB SER 15 -3.566 14.090 -1.762
128 HG SER 15 HG SER 15 -2.861 15.579 -0.435
129 H ASP 16 H ASP 16 -2.761 13.717 2.117
130 HA ASP 16 HA ASP 16 -0.774 11.748 2.535
131 1HB ASP 16 1HB ASP 16 -0.482 12.773 4.754
132 2HB ASP 16 2HB ASP 16 -0.548 13.979 3.476
133 H HIS 17 H HIS 17 -4.115 12.022 3.616
134 HA HIS 17 HA HIS 17 -4.159 10.179 5.695
135 1HB HIS 17 1HB HIS 17 -6.215 10.906 3.616
136 2HB HIS 17 2HB HIS 17 -6.552 9.700 4.850
137 HD1 HIS 17 HD1 HIS 17 -8.265 11.001 6.166
138 HD2 HIS 17 HD2 HIS 17 -4.717 13.093 5.626
139 HE1 HIS 17 HE1 HIS 17 -8.451 13.033 7.638
140 HE2 HIS 17 HE2 HIS 17 -6.276 14.264 7.324
141 H LEU 18 H LEU 18 -4.071 9.664 2.224
142 HA LEU 18 HA LEU 18 -4.341 6.776 2.487
143 1HB LEU 18 1HB LEU 18 -3.865 8.548 0.105
144 2HB LEU 18 2HB LEU 18 -4.008 6.809 0.016
145 HG LEU 18 HG LEU 18 -6.329 7.005 0.885
146 1HD1 LEU 18 1HD1 LEU 18 -7.356 9.308 0.624
147 2HD1 LEU 18 2HD1 LEU 18 -5.708 9.935 0.655
148 3HD1 LEU 18 3HD1 LEU 18 -6.343 9.058 2.046
149 1HD2 LEU 18 1HD2 LEU 18 -6.656 8.654 -1.407
150 2HD2 LEU 18 2HD2 LEU 18 -6.861 6.909 -1.259
151 3HD2 LEU 18 3HD2 LEU 18 -5.280 7.582 -1.663
152 H SER 19 H SER 19 -1.971 9.168 1.364
153 HA SER 19 HA SER 19 0.109 7.666 0.546
154 1HB SER 19 1HB SER 19 0.243 10.081 0.554
155 2HB SER 19 2HB SER 19 0.254 10.121 2.317
156 HG SER 19 HG SER 19 2.355 10.285 1.736
157 H LYS 20 H LYS 20 -0.774 8.170 3.938
158 HA LYS 20 HA LYS 20 1.484 6.640 4.900
159 1HB LYS 20 1HB LYS 20 0.224 8.596 6.085
160 2HB LYS 20 2HB LYS 20 -0.909 7.342 6.570
161 1HG LYS 20 1HG LYS 20 0.845 6.138 7.707
162 2HG LYS 20 2HG LYS 20 2.050 7.291 7.132
163 1HD LYS 20 1HD LYS 20 1.693 8.200 9.180
164 2HD LYS 20 2HD LYS 20 0.370 8.996 8.325
165 1HE LYS 20 1HE LYS 20 -0.197 6.331 9.483
166 2HE LYS 20 2HE LYS 20 0.038 7.655 10.622
167 1HZ LYS 20 1HZ LYS 20 -1.676 8.905 9.401
168 2HZ LYS 20 2HZ LYS 20 -2.274 7.469 10.067
169 3HZ LYS 20 3HZ LYS 20 -1.944 7.559 8.411
170 H HIS 21 H HIS 21 -1.901 6.094 4.160
171 HA HIS 21 HA HIS 21 -1.994 3.515 5.450
172 1HB HIS 21 1HB HIS 21 -4.101 4.405 5.486
173 2HB HIS 21 2HB HIS 21 -3.892 5.246 3.958
174 HD1 HIS 21 HD1 HIS 21 -5.883 2.668 5.318
175 HD2 HIS 21 HD2 HIS 21 -3.788 3.105 1.766
176 HE1 HIS 21 HE1 HIS 21 -6.967 1.096 3.656
177 H ILE 22 H ILE 22 -1.430 4.713 2.177
178 HA ILE 22 HA ILE 22 -1.796 2.261 0.849
179 HB ILE 22 HB ILE 22 -0.141 3.293 -0.870
180 1HG1 ILE 22 1HG1 ILE 22 -0.854 5.966 -0.201
181 2HG1 ILE 22 2HG1 ILE 22 -0.068 5.234 1.192
182 1HG2 ILE 22 1HG2 ILE 22 -2.066 4.865 -1.600
183 2HG2 ILE 22 2HG2 ILE 22 -2.921 4.183 -0.217
184 3HG2 ILE 22 3HG2 ILE 22 -2.361 3.128 -1.514
185 1HD1 ILE 22 1HD1 ILE 22 1.108 5.138 -1.563
186 2HD1 ILE 22 2HD1 ILE 22 1.900 4.789 -0.025
187 3HD1 ILE 22 3HD1 ILE 22 1.432 6.443 -0.422
188 H THR 23 H THR 23 1.163 3.716 2.122
189 HA THR 23 HA THR 23 2.987 1.887 1.202
190 HB THR 23 HB THR 23 3.244 4.029 2.718
191 HG1 THR 23 HG1 THR 23 5.101 3.327 1.956
192 1HG2 THR 23 1HG2 THR 23 3.708 1.911 4.792
193 2HG2 THR 23 2HG2 THR 23 2.247 2.897 4.727
194 3HG2 THR 23 3HG2 THR 23 3.817 3.663 4.970
195 H LEU 24 H LEU 24 0.664 1.417 3.754
196 HA LEU 24 HA LEU 24 1.825 -1.202 4.421
197 1HB LEU 24 1HB LEU 24 0.183 -1.189 6.291
198 2HB LEU 24 2HB LEU 24 1.322 0.149 6.350
199 HG LEU 24 HG LEU 24 -0.724 1.194 4.898
200 1HD1 LEU 24 1HD1 LEU 24 -2.732 0.400 5.400
201 2HD1 LEU 24 2HD1 LEU 24 -2.329 0.197 7.108
202 3HD1 LEU 24 3HD1 LEU 24 -1.876 -1.046 5.941
203 1HD2 LEU 24 1HD2 LEU 24 0.539 2.253 6.736
204 2HD2 LEU 24 2HD2 LEU 24 -0.438 1.348 7.893
205 3HD2 LEU 24 3HD2 LEU 24 -1.197 2.544 6.841
206 H HIS 25 H HIS 25 -1.197 0.334 3.355
207 HA HIS 25 HA HIS 25 -2.666 -2.067 3.149
208 1HB HIS 25 1HB HIS 25 -4.326 -0.603 2.949
209 2HB HIS 25 2HB HIS 25 -3.196 0.715 2.745
210 HD1 HIS 25 HD1 HIS 25 -5.101 -1.817 0.653
211 HD2 HIS 25 HD2 HIS 25 -3.272 1.902 0.320
212 HE1 HIS 25 HE1 HIS 25 -5.750 -0.901 -1.612
213 H GLU 26 H GLU 26 -0.371 -0.499 1.047
214 HA GLU 26 HA GLU 26 -1.094 -1.821 -1.356
215 1HB GLU 26 1HB GLU 26 1.072 -1.200 -2.185
216 2HB GLU 26 2HB GLU 26 0.474 0.134 -1.212
217 1HG GLU 26 1HG GLU 26 2.382 0.097 -0.098
218 2HG GLU 26 2HG GLU 26 1.927 -1.478 0.549
219 H LEU 27 H LEU 27 0.425 -2.849 1.582
220 HA LEU 27 HA LEU 27 1.387 -5.328 0.304
221 1HB LEU 27 1HB LEU 27 1.899 -4.110 3.011
222 2HB LEU 27 2HB LEU 27 2.369 -5.752 2.614
223 1HD1 LEU 27 1HD1 LEU 27 4.305 -2.309 1.229
224 2HD1 LEU 27 2HD1 LEU 27 4.242 -2.740 2.938
225 3HD1 LEU 27 3HD1 LEU 27 2.761 -2.308 2.084
226 1HD2 LEU 27 1HD2 LEU 27 5.593 -4.739 1.644
227 2HD2 LEU 27 2HD2 LEU 27 4.520 -6.132 1.782
228 3HD2 LEU 27 3HD2 LEU 27 4.753 -5.059 3.162
229 H LEU 28 H LEU 28 -0.072 -4.649 3.494
230 HA LEU 28 HA LEU 28 -1.737 -7.047 3.150
231 1HB LEU 28 1HB LEU 28 -0.106 -6.223 5.254
232 2HB LEU 28 2HB LEU 28 -1.735 -5.896 5.816
233 HG LEU 28 HG LEU 28 -1.363 -8.557 4.608
234 1HD1 LEU 28 1HD1 LEU 28 -0.240 -9.495 6.551
235 2HD1 LEU 28 2HD1 LEU 28 -0.054 -7.880 7.239
236 3HD1 LEU 28 3HD1 LEU 28 0.786 -8.306 5.748
237 1HD2 LEU 28 1HD2 LEU 28 -2.558 -7.634 7.219
238 2HD2 LEU 28 2HD2 LEU 28 -2.740 -9.227 6.484
239 3HD2 LEU 28 3HD2 LEU 28 -3.439 -7.809 5.701
240 H GLY 29 H GLY 29 -3.895 -6.898 3.034
241 1HA GLY 29 1HA GLY 29 -5.107 -4.269 2.982
242 2HA GLY 29 2HA GLY 29 -5.891 -5.790 2.587
243 H GLU 30 H GLU 30 -6.794 -3.528 4.265
244 HA GLU 30 HA GLU 30 -6.772 -4.502 6.980
245 1HB GLU 30 1HB GLU 30 -6.937 -2.037 6.121
246 2HB GLU 30 2HB GLU 30 -8.654 -2.386 5.990
247 1HG GLU 30 1HG GLU 30 -7.069 -2.754 8.519
248 2HG GLU 30 2HG GLU 30 -7.941 -1.276 8.113
249 H GLU 31 H GLU 31 -8.161 -5.888 7.864
250 HA GLU 31 HA GLU 31 -10.275 -7.029 6.292
251 1HB GLU 31 1HB GLU 31 -9.251 -7.508 9.080
252 2HB GLU 31 2HB GLU 31 -10.717 -8.287 8.503
253 1HG GLU 31 1HG GLU 31 -9.420 -9.257 6.638
254 2HG GLU 31 2HG GLU 31 -7.960 -8.548 7.326
255 H ARG 32 H ARG 32 -11.903 -5.594 5.929
256 HA ARG 32 HA ARG 32 -13.001 -3.972 8.047
257 1HB ARG 32 1HB ARG 32 -13.315 -4.195 5.134
258 2HB ARG 32 2HB ARG 32 -14.801 -3.797 5.984
259 1HG ARG 32 1HG ARG 32 -12.270 -2.282 6.505
260 2HG ARG 32 2HG ARG 32 -13.319 -1.883 5.143
261 1HD ARG 32 1HD ARG 32 -15.213 -1.746 6.824
262 2HD ARG 32 2HD ARG 32 -13.975 -1.814 8.078
263 HE ARG 32 HE ARG 32 -13.425 0.359 7.615
264 1HH1 ARG 32 1HH1 ARG 32 -15.396 -0.870 4.991
265 2HH1 ARG 32 2HH1 ARG 32 -15.577 0.679 4.241
266 1HH2 ARG 32 1HH2 ARG 32 -13.672 2.396 6.620
267 2HH2 ARG 32 2HH2 ARG 32 -14.599 2.531 5.163
268 H ARG 33 H ARG 33 -15.452 -3.958 8.335
269 HA ARG 33 HA ARG 33 -16.408 -6.736 8.574
270 1HB ARG 33 1HB ARG 33 -17.864 -5.719 10.465
271 2HB ARG 33 2HB ARG 33 -16.173 -6.067 10.782
272 1HG ARG 33 1HG ARG 33 -16.559 -3.972 11.741
273 2HG ARG 33 2HG ARG 33 -15.723 -3.627 10.227
274 1HD ARG 33 1HD ARG 33 -17.583 -2.717 9.249
275 2HD ARG 33 2HD ARG 33 -18.696 -3.688 10.209
276 HE ARG 33 HE ARG 33 -17.576 -1.119 10.897
277 1HH1 ARG 33 1HH1 ARG 33 -19.142 -4.006 12.116
278 2HH1 ARG 33 2HH1 ARG 33 -19.738 -3.227 13.542
279 1HH2 ARG 33 1HH2 ARG 33 -18.364 -0.101 12.778
280 2HH2 ARG 33 2HH2 ARG 33 -19.297 -1.011 13.919
Start of MODEL 7
1 H TYR 1 H TYR 1 -13.723 14.367 1.914
2 HA TYR 1 HA TYR 1 -12.780 12.480 0.868
3 1HB TYR 1 1HB TYR 1 -15.758 12.801 1.021
4 2HB TYR 1 2HB TYR 1 -15.086 11.276 0.457
5 HD1 TYR 1 HD1 TYR 1 -13.476 10.038 1.986
6 HD2 TYR 1 HD2 TYR 1 -15.878 13.288 3.315
7 HE1 TYR 1 HE1 TYR 1 -13.158 9.313 4.313
8 HE2 TYR 1 HE2 TYR 1 -15.567 12.572 5.646
9 HH TYR 1 HH TYR 1 -13.476 11.018 6.834
10 H LYS 2 H LYS 2 -11.667 12.720 -1.064
11 HA LYS 2 HA LYS 2 -13.042 11.828 -3.416
12 1HB LYS 2 1HB LYS 2 -13.340 14.431 -3.183
13 2HB LYS 2 2HB LYS 2 -11.690 14.474 -3.786
14 1HG LYS 2 1HG LYS 2 -12.366 13.275 -5.787
15 2HG LYS 2 2HG LYS 2 -14.017 13.159 -5.174
16 1HD LYS 2 1HD LYS 2 -14.138 14.977 -6.607
17 2HD LYS 2 2HD LYS 2 -13.888 15.743 -5.037
18 1HE LYS 2 1HE LYS 2 -11.566 16.083 -5.496
19 2HE LYS 2 2HE LYS 2 -11.659 15.106 -6.961
20 1HZ LYS 2 1HZ LYS 2 -11.650 17.489 -7.435
21 2HZ LYS 2 2HZ LYS 2 -13.073 17.684 -6.541
22 3HZ LYS 2 3HZ LYS 2 -13.085 16.759 -7.958
23 H PHE 3 H PHE 3 -11.012 10.592 -2.077
24 HA PHE 3 HA PHE 3 -8.973 10.494 -4.120
25 1HB PHE 3 1HB PHE 3 -8.174 12.269 -2.531
26 2HB PHE 3 2HB PHE 3 -8.118 11.043 -1.272
27 HD1 PHE 3 HD1 PHE 3 -7.171 10.422 -4.787
28 HD2 PHE 3 HD2 PHE 3 -5.795 11.183 -0.834
29 HE1 PHE 3 HE1 PHE 3 -4.891 9.794 -5.462
30 HE2 PHE 3 HE2 PHE 3 -3.511 10.548 -1.499
31 HZ PHE 3 HZ PHE 3 -3.058 9.858 -3.819
32 H ALA 4 H ALA 4 -8.623 8.427 -4.515
33 HA ALA 4 HA ALA 4 -8.873 6.501 -2.330
34 1HB ALA 4 1HB ALA 4 -9.595 6.091 -5.223
35 2HB ALA 4 2HB ALA 4 -10.729 6.277 -3.885
36 3HB ALA 4 3HB ALA 4 -9.678 4.862 -3.961
37 H CYS 5 H CYS 5 -7.362 4.873 -2.164
38 HA CYS 5 HA CYS 5 -4.765 5.383 -3.079
39 1HB CYS 5 1HB CYS 5 -5.824 2.702 -2.173
40 2HB CYS 5 2HB CYS 5 -4.160 3.270 -2.100
41 HG CYS 5 HG CYS 5 -6.021 3.530 0.110
42 HA PRO 6 HA PRO 6 -4.486 3.640 -7.124
43 1HB PRO 6 1HB PRO 6 -2.059 2.366 -7.008
44 2HB PRO 6 2HB PRO 6 -2.252 4.109 -7.207
45 1HG PRO 6 1HG PRO 6 -1.655 2.538 -4.733
46 2HG PRO 6 2HG PRO 6 -0.971 4.082 -5.274
47 1HD PRO 6 1HD PRO 6 -2.875 3.949 -3.378
48 2HD PRO 6 2HD PRO 6 -2.795 5.292 -4.535
49 H GLU 7 H GLU 7 -4.469 1.607 -4.336
50 HA GLU 7 HA GLU 7 -4.810 -0.793 -5.996
51 1HB GLU 7 1HB GLU 7 -3.687 -0.301 -3.306
52 2HB GLU 7 2HB GLU 7 -4.640 -1.768 -3.477
53 1HG GLU 7 1HG GLU 7 -2.209 -2.083 -3.839
54 2HG GLU 7 2HG GLU 7 -3.209 -2.586 -5.200
55 H CYS 8 H CYS 8 -6.210 0.806 -3.103
56 HA CYS 8 HA CYS 8 -8.674 -0.722 -3.586
57 1HB CYS 8 1HB CYS 8 -9.314 -0.237 -1.309
58 2HB CYS 8 2HB CYS 8 -7.738 -0.973 -1.348
59 HG CYS 8 HG CYS 8 -7.947 2.101 -0.992
60 HA PRO 9 HA PRO 9 -11.035 2.820 -4.547
61 1HB PRO 9 1HB PRO 9 -13.477 1.937 -3.932
62 2HB PRO 9 2HB PRO 9 -12.516 1.156 -5.193
63 1HG PRO 9 1HG PRO 9 -13.017 0.286 -2.379
64 2HG PRO 9 2HG PRO 9 -12.914 -0.691 -3.854
65 1HD PRO 9 1HD PRO 9 -10.847 -0.327 -2.003
66 2HD PRO 9 2HD PRO 9 -10.651 -0.911 -3.660
67 H LYS 10 H LYS 10 -10.452 2.065 -1.329
68 HA LYS 10 HA LYS 10 -12.357 3.407 0.150
69 1HB LYS 10 1HB LYS 10 -9.462 2.807 0.566
70 2HB LYS 10 2HB LYS 10 -10.262 3.903 1.685
71 1HG LYS 10 1HG LYS 10 -11.600 1.320 1.097
72 2HG LYS 10 2HG LYS 10 -10.146 1.289 2.097
73 1HD LYS 10 1HD LYS 10 -11.726 3.415 3.052
74 2HD LYS 10 2HD LYS 10 -12.820 2.053 2.804
75 1HE LYS 10 1HE LYS 10 -10.212 1.779 4.275
76 2HE LYS 10 2HE LYS 10 -11.705 2.249 5.086
77 1HZ LYS 10 1HZ LYS 10 -11.231 -0.280 3.600
78 2HZ LYS 10 2HZ LYS 10 -12.712 0.176 4.277
79 3HZ LYS 10 3HZ LYS 10 -11.379 -0.110 5.277
80 H ARG 11 H ARG 11 -12.962 5.442 0.329
81 HA ARG 11 HA ARG 11 -11.319 7.533 -0.889
82 1HB ARG 11 1HB ARG 11 -13.396 8.946 -0.576
83 2HB ARG 11 2HB ARG 11 -13.548 7.602 -1.698
84 1HG ARG 11 1HG ARG 11 -15.090 6.556 -0.439
85 2HG ARG 11 2HG ARG 11 -14.316 7.010 1.080
86 1HD ARG 11 1HD ARG 11 -16.369 8.152 1.071
87 2HD ARG 11 2HD ARG 11 -15.166 9.364 0.630
88 HE ARG 11 HE ARG 11 -16.121 8.303 -1.742
89 1HH1 ARG 11 1HH1 ARG 11 -17.428 10.079 0.979
90 2HH1 ARG 11 2HH1 ARG 11 -18.670 10.840 0.041
91 1HH2 ARG 11 1HH2 ARG 11 -17.759 9.308 -2.969
92 2HH2 ARG 11 2HH2 ARG 11 -18.858 10.402 -2.200
93 H PHE 12 H PHE 12 -10.013 8.666 0.369
94 HA PHE 12 HA PHE 12 -10.544 8.797 3.250
95 1HB PHE 12 1HB PHE 12 -8.069 9.626 1.728
96 2HB PHE 12 2HB PHE 12 -8.230 9.556 3.472
97 HD1 PHE 12 HD1 PHE 12 -7.030 7.861 4.404
98 HD2 PHE 12 HD2 PHE 12 -8.919 7.168 0.653
99 HE1 PHE 12 HE1 PHE 12 -6.155 5.564 4.391
100 HE2 PHE 12 HE2 PHE 12 -8.053 4.868 0.638
101 HZ PHE 12 HZ PHE 12 -6.655 4.055 2.506
102 H MET 13 H MET 13 -9.341 11.072 4.047
103 HA MET 13 HA MET 13 -11.096 13.130 2.935
104 1HB MET 13 1HB MET 13 -9.663 12.797 5.544
105 2HB MET 13 2HB MET 13 -10.210 14.389 5.038
106 1HG MET 13 1HG MET 13 -12.437 12.862 4.633
107 2HG MET 13 2HG MET 13 -11.724 12.116 6.063
108 1HE MET 13 1HE MET 13 -14.422 14.879 5.297
109 2HE MET 13 2HE MET 13 -12.981 15.113 4.308
110 3HE MET 13 3HE MET 13 -13.406 16.299 5.542
111 H ARG 14 H ARG 14 -7.663 12.485 3.517
112 HA ARG 14 HA ARG 14 -7.017 14.734 1.738
113 1HB ARG 14 1HB ARG 14 -5.728 14.164 4.409
114 2HB ARG 14 2HB ARG 14 -5.051 15.257 3.213
115 1HG ARG 14 1HG ARG 14 -6.167 16.800 4.407
116 2HG ARG 14 2HG ARG 14 -7.523 16.281 3.403
117 1HD ARG 14 1HD ARG 14 -8.615 15.785 5.277
118 2HD ARG 14 2HD ARG 14 -7.462 14.476 5.525
119 HE ARG 14 HE ARG 14 -6.431 15.717 7.160
120 1HH1 ARG 14 1HH1 ARG 14 -8.682 17.764 5.424
121 2HH1 ARG 14 2HH1 ARG 14 -8.561 19.066 6.556
122 1HH2 ARG 14 1HH2 ARG 14 -6.275 17.436 8.647
123 2HH2 ARG 14 2HH2 ARG 14 -7.195 18.881 8.386
124 H SER 15 H SER 15 -4.859 14.617 0.795
125 HA SER 15 HA SER 15 -4.297 12.140 -0.346
126 1HB SER 15 1HB SER 15 -3.581 14.494 -1.115
127 2HB SER 15 2HB SER 15 -2.203 14.283 -0.035
128 HG SER 15 HG SER 15 -1.421 12.728 -1.301
129 H ASP 16 H ASP 16 -2.761 13.741 2.429
130 HA ASP 16 HA ASP 16 -0.734 11.830 2.834
131 1HB ASP 16 1HB ASP 16 -0.761 12.733 5.238
132 2HB ASP 16 2HB ASP 16 -0.393 13.864 3.943
133 H HIS 17 H HIS 17 -4.101 11.922 3.868
134 HA HIS 17 HA HIS 17 -4.059 9.949 5.840
135 1HB HIS 17 1HB HIS 17 -6.184 10.768 3.864
136 2HB HIS 17 2HB HIS 17 -6.460 9.485 5.033
137 HD1 HIS 17 HD1 HIS 17 -8.371 11.102 5.956
138 HD2 HIS 17 HD2 HIS 17 -4.469 12.424 6.485
139 HE1 HIS 17 HE1 HIS 17 -8.507 12.924 7.681
140 HE2 HIS 17 HE2 HIS 17 -6.119 13.623 8.072
141 H LEU 18 H LEU 18 -3.896 9.695 2.355
142 HA LEU 18 HA LEU 18 -4.185 6.795 2.391
143 1HB LEU 18 1HB LEU 18 -3.558 8.675 0.123
144 2HB LEU 18 2HB LEU 18 -3.849 6.958 -0.040
145 HG LEU 18 HG LEU 18 -6.162 7.411 0.920
146 1HD1 LEU 18 1HD1 LEU 18 -6.816 9.856 0.247
147 2HD1 LEU 18 2HD1 LEU 18 -5.112 10.171 0.572
148 3HD1 LEU 18 3HD1 LEU 18 -6.140 9.509 1.840
149 1HD2 LEU 18 1HD2 LEU 18 -5.115 8.159 -1.749
150 2HD2 LEU 18 2HD2 LEU 18 -6.798 8.540 -1.382
151 3HD2 LEU 18 3HD2 LEU 18 -6.232 6.872 -1.291
152 H SER 19 H SER 19 -1.785 9.225 1.394
153 HA SER 19 HA SER 19 0.300 7.728 0.612
154 1HB SER 19 1HB SER 19 0.439 10.150 0.677
155 2HB SER 19 2HB SER 19 0.445 10.139 2.441
156 HG SER 19 HG SER 19 2.551 10.358 1.463
157 H LYS 20 H LYS 20 -0.643 8.191 3.992
158 HA LYS 20 HA LYS 20 1.567 6.614 4.986
159 1HB LYS 20 1HB LYS 20 -0.239 8.470 6.088
160 2HB LYS 20 2HB LYS 20 -0.595 6.940 6.877
161 1HG LYS 20 1HG LYS 20 2.171 8.107 6.693
162 2HG LYS 20 2HG LYS 20 1.075 8.386 8.047
163 1HD LYS 20 1HD LYS 20 1.839 5.625 7.129
164 2HD LYS 20 2HD LYS 20 2.783 6.522 8.321
165 1HE LYS 20 1HE LYS 20 1.402 5.792 9.901
166 2HE LYS 20 2HE LYS 20 0.098 6.700 9.140
167 1HZ LYS 20 1HZ LYS 20 -0.442 4.344 9.427
168 2HZ LYS 20 2HZ LYS 20 0.865 3.915 8.444
169 3HZ LYS 20 3HZ LYS 20 -0.432 4.786 7.795
170 H HIS 21 H HIS 21 -1.835 6.158 4.231
171 HA HIS 21 HA HIS 21 -2.007 3.547 5.418
172 1HB HIS 21 1HB HIS 21 -4.087 4.512 5.404
173 2HB HIS 21 2HB HIS 21 -3.815 5.339 3.879
174 HD1 HIS 21 HD1 HIS 21 -5.934 2.848 5.178
175 HD2 HIS 21 HD2 HIS 21 -3.672 3.152 1.714
176 HE1 HIS 21 HE1 HIS 21 -6.983 1.266 3.505
177 H ILE 22 H ILE 22 -1.369 4.792 2.165
178 HA ILE 22 HA ILE 22 -1.734 2.351 0.817
179 HB ILE 22 HB ILE 22 -0.058 3.407 -0.883
180 1HG1 ILE 22 1HG1 ILE 22 -0.875 6.062 -0.158
181 2HG1 ILE 22 2HG1 ILE 22 0.003 5.318 1.175
182 1HG2 ILE 22 1HG2 ILE 22 -2.079 5.044 -1.482
183 2HG2 ILE 22 2HG2 ILE 22 -2.888 4.036 -0.282
184 3HG2 ILE 22 3HG2 ILE 22 -2.167 3.297 -1.713
185 1HD1 ILE 22 1HD1 ILE 22 1.413 6.615 -0.415
186 2HD1 ILE 22 2HD1 ILE 22 1.032 5.408 -1.642
187 3HD1 ILE 22 3HD1 ILE 22 1.914 4.940 -0.188
188 H THR 23 H THR 23 1.221 3.797 2.120
189 HA THR 23 HA THR 23 3.030 1.939 1.186
190 HB THR 23 HB THR 23 3.087 3.274 3.903
191 HG1 THR 23 HG1 THR 23 3.935 4.142 1.346
192 1HG2 THR 23 1HG2 THR 23 4.799 1.625 3.868
193 2HG2 THR 23 2HG2 THR 23 5.556 3.193 3.594
194 3HG2 THR 23 3HG2 THR 23 5.295 2.092 2.241
195 H LEU 24 H LEU 24 0.667 1.503 3.706
196 HA LEU 24 HA LEU 24 1.829 -1.106 4.408
197 1HB LEU 24 1HB LEU 24 0.191 -1.095 6.274
198 2HB LEU 24 2HB LEU 24 1.321 0.249 6.333
199 HG LEU 24 HG LEU 24 -0.724 1.309 4.906
200 1HD1 LEU 24 1HD1 LEU 24 -2.352 0.258 7.066
201 2HD1 LEU 24 2HD1 LEU 24 -1.862 -0.974 5.904
202 3HD1 LEU 24 3HD1 LEU 24 -2.726 0.464 5.352
203 1HD2 LEU 24 1HD2 LEU 24 -0.532 1.390 7.908
204 2HD2 LEU 24 2HD2 LEU 24 -1.193 2.631 6.844
205 3HD2 LEU 24 3HD2 LEU 24 0.535 2.282 6.822
206 H HIS 25 H HIS 25 -1.189 0.426 3.322
207 HA HIS 25 HA HIS 25 -2.654 -1.977 3.079
208 1HB HIS 25 1HB HIS 25 -4.303 -0.486 2.865
209 2HB HIS 25 2HB HIS 25 -3.160 0.817 2.645
210 HD1 HIS 25 HD1 HIS 25 -5.104 -1.716 0.600
211 HD2 HIS 25 HD2 HIS 25 -3.161 1.939 0.183
212 HE1 HIS 25 HE1 HIS 25 -5.715 -0.839 -1.690
213 H GLU 26 H GLU 26 -0.337 -0.386 1.027
214 HA GLU 26 HA GLU 26 -0.984 -1.785 -1.378
215 1HB GLU 26 1HB GLU 26 0.314 0.204 -1.604
216 2HB GLU 26 2HB GLU 26 1.483 -0.335 -0.409
217 1HG GLU 26 1HG GLU 26 2.580 -0.562 -2.443
218 2HG GLU 26 2HG GLU 26 2.059 -2.196 -2.047
219 H LEU 27 H LEU 27 0.682 -2.565 1.569
220 HA LEU 27 HA LEU 27 1.765 -5.024 0.342
221 1HB LEU 27 1HB LEU 27 2.486 -3.586 2.893
222 2HB LEU 27 2HB LEU 27 3.088 -5.182 2.490
223 1HD1 LEU 27 1HD1 LEU 27 5.264 -4.133 -0.270
224 2HD1 LEU 27 2HD1 LEU 27 3.569 -4.465 -0.626
225 3HD1 LEU 27 3HD1 LEU 27 4.459 -5.510 0.481
226 1HD2 LEU 27 1HD2 LEU 27 3.347 -2.231 -0.231
227 2HD2 LEU 27 2HD2 LEU 27 4.377 -1.542 1.023
228 3HD2 LEU 27 3HD2 LEU 27 2.674 -1.865 1.359
229 H LEU 28 H LEU 28 0.760 -4.300 3.683
230 HA LEU 28 HA LEU 28 -0.542 -6.886 3.851
231 1HB LEU 28 1HB LEU 28 -0.881 -6.304 6.227
232 2HB LEU 28 2HB LEU 28 0.797 -6.217 5.730
233 HG LEU 28 HG LEU 28 -0.562 -3.645 5.508
234 1HD1 LEU 28 1HD1 LEU 28 -1.832 -4.482 7.404
235 2HD1 LEU 28 2HD1 LEU 28 -0.706 -3.223 7.912
236 3HD1 LEU 28 3HD1 LEU 28 -0.336 -4.918 8.231
237 1HD2 LEU 28 1HD2 LEU 28 1.885 -4.038 5.382
238 2HD2 LEU 28 2HD2 LEU 28 1.862 -4.503 7.081
239 3HD2 LEU 28 3HD2 LEU 28 1.426 -2.861 6.612
240 H GLY 29 H GLY 29 -2.709 -7.266 4.086
241 1HA GLY 29 1HA GLY 29 -4.474 -4.962 3.546
242 2HA GLY 29 2HA GLY 29 -4.815 -6.621 3.080
243 H GLU 30 H GLU 30 -5.242 -4.220 5.447
244 HA GLU 30 HA GLU 30 -6.067 -6.116 7.511
245 1HB GLU 30 1HB GLU 30 -4.713 -3.974 7.955
246 2HB GLU 30 2HB GLU 30 -6.226 -3.114 7.706
247 1HG GLU 30 1HG GLU 30 -7.188 -3.977 9.618
248 2HG GLU 30 2HG GLU 30 -6.097 -5.361 9.668
249 H GLU 31 H GLU 31 -8.162 -6.143 8.411
250 HA GLU 31 HA GLU 31 -10.248 -5.432 6.499
251 1HB GLU 31 1HB GLU 31 -10.179 -7.207 8.932
252 2HB GLU 31 2HB GLU 31 -11.694 -6.760 8.160
253 1HG GLU 31 1HG GLU 31 -11.153 -8.837 7.254
254 2HG GLU 31 2HG GLU 31 -10.690 -7.675 6.012
255 H ARG 32 H ARG 32 -9.961 -3.124 6.960
256 HA ARG 32 HA ARG 32 -11.158 -2.269 9.504
257 1HB ARG 32 1HB ARG 32 -9.436 -0.811 7.500
258 2HB ARG 32 2HB ARG 32 -10.268 0.008 8.817
259 1HG ARG 32 1HG ARG 32 -8.394 -2.282 9.308
260 2HG ARG 32 2HG ARG 32 -7.827 -0.616 9.173
261 1HD ARG 32 1HD ARG 32 -8.821 0.027 11.133
262 2HD ARG 32 2HD ARG 32 -10.095 -1.186 11.011
263 HE ARG 32 HE ARG 32 -7.751 -2.584 11.403
264 1HH1 ARG 32 1HH1 ARG 32 -9.585 -0.169 13.153
265 2HH1 ARG 32 2HH1 ARG 32 -9.053 -0.715 14.707
266 1HH2 ARG 32 1HH2 ARG 32 -7.051 -3.298 13.452
267 2HH2 ARG 32 2HH2 ARG 32 -7.614 -2.490 14.878
268 H ARG 33 H ARG 33 -12.921 -0.893 9.565
269 HA ARG 33 HA ARG 33 -14.370 -0.589 7.015
270 1HB ARG 33 1HB ARG 33 -15.361 -1.086 9.815
271 2HB ARG 33 2HB ARG 33 -16.418 -0.455 8.561
272 1HG ARG 33 1HG ARG 33 -16.682 -2.459 7.635
273 2HG ARG 33 2HG ARG 33 -14.952 -2.799 7.682
274 1HD ARG 33 1HD ARG 33 -15.407 -3.117 10.248
275 2HD ARG 33 2HD ARG 33 -17.064 -3.384 9.706
276 HE ARG 33 HE ARG 33 -15.139 -4.940 8.255
277 1HH1 ARG 33 1HH1 ARG 33 -17.078 -4.829 11.170
278 2HH1 ARG 33 2HH1 ARG 33 -17.087 -6.549 11.373
279 1HH2 ARG 33 1HH2 ARG 33 -15.159 -7.201 8.527
280 2HH2 ARG 33 2HH2 ARG 33 -15.998 -7.895 9.874
Start of MODEL 8
1 H TYR 1 H TYR 1 -14.692 13.641 1.950
2 HA TYR 1 HA TYR 1 -12.433 11.763 1.829
3 1HB TYR 1 1HB TYR 1 -14.538 10.291 1.032
4 2HB TYR 1 2HB TYR 1 -13.983 10.333 2.697
5 HD1 TYR 1 HD1 TYR 1 -15.333 11.282 4.425
6 HD2 TYR 1 HD2 TYR 1 -16.550 11.585 0.358
7 HE1 TYR 1 HE1 TYR 1 -17.559 12.027 5.153
8 HE2 TYR 1 HE2 TYR 1 -18.779 12.331 1.076
9 HH TYR 1 HH TYR 1 -20.095 11.877 3.770
10 H LYS 2 H LYS 2 -11.444 12.419 0.013
11 HA LYS 2 HA LYS 2 -12.900 12.187 -2.476
12 1HB LYS 2 1HB LYS 2 -12.942 14.656 -1.490
13 2HB LYS 2 2HB LYS 2 -11.344 14.718 -2.219
14 1HG LYS 2 1HG LYS 2 -12.161 14.550 -4.358
15 2HG LYS 2 2HG LYS 2 -13.639 13.733 -3.844
16 1HD LYS 2 1HD LYS 2 -14.419 15.840 -4.391
17 2HD LYS 2 2HD LYS 2 -14.154 15.990 -2.653
18 1HE LYS 2 1HE LYS 2 -11.877 16.919 -3.197
19 2HE LYS 2 2HE LYS 2 -12.387 16.976 -4.884
20 1HZ LYS 2 1HZ LYS 2 -14.193 18.450 -4.252
21 2HZ LYS 2 2HZ LYS 2 -12.704 19.104 -3.789
22 3HZ LYS 2 3HZ LYS 2 -13.710 18.390 -2.631
23 H PHE 3 H PHE 3 -10.761 10.705 -1.232
24 HA PHE 3 HA PHE 3 -8.861 10.803 -3.420
25 1HB PHE 3 1HB PHE 3 -8.085 12.297 -1.397
26 2HB PHE 3 2HB PHE 3 -7.667 10.748 -0.671
27 HD1 PHE 3 HD1 PHE 3 -7.186 12.661 -3.838
28 HD2 PHE 3 HD2 PHE 3 -5.567 9.887 -1.050
29 HE1 PHE 3 HE1 PHE 3 -5.058 12.660 -5.074
30 HE2 PHE 3 HE2 PHE 3 -3.439 9.874 -2.281
31 HZ PHE 3 HZ PHE 3 -3.182 11.267 -4.297
32 H ALA 4 H ALA 4 -8.610 8.784 -4.094
33 HA ALA 4 HA ALA 4 -8.896 6.607 -2.163
34 1HB ALA 4 1HB ALA 4 -9.678 5.206 -4.026
35 2HB ALA 4 2HB ALA 4 -9.559 6.601 -5.099
36 3HB ALA 4 3HB ALA 4 -10.712 6.611 -3.766
37 H CYS 5 H CYS 5 -7.335 5.072 -2.024
38 HA CYS 5 HA CYS 5 -4.746 5.607 -2.935
39 1HB CYS 5 1HB CYS 5 -5.782 2.880 -2.154
40 2HB CYS 5 2HB CYS 5 -4.132 3.475 -2.028
41 HG CYS 5 HG CYS 5 -6.414 4.067 -0.054
42 HA PRO 6 HA PRO 6 -4.586 4.019 -7.057
43 1HB PRO 6 1HB PRO 6 -2.074 2.917 -7.086
44 2HB PRO 6 2HB PRO 6 -2.395 4.646 -7.237
45 1HG PRO 6 1HG PRO 6 -1.542 3.079 -4.845
46 2HG PRO 6 2HG PRO 6 -1.030 4.691 -5.371
47 1HD PRO 6 1HD PRO 6 -2.820 4.304 -3.378
48 2HD PRO 6 2HD PRO 6 -2.878 5.714 -4.454
49 H GLU 7 H GLU 7 -4.223 1.981 -4.292
50 HA GLU 7 HA GLU 7 -4.429 -0.462 -5.880
51 1HB GLU 7 1HB GLU 7 -3.799 0.075 -2.986
52 2HB GLU 7 2HB GLU 7 -4.165 -1.539 -3.573
53 1HG GLU 7 1HG GLU 7 -1.843 -1.436 -3.571
54 2HG GLU 7 2HG GLU 7 -2.286 -1.169 -5.255
55 H CYS 8 H CYS 8 -6.043 1.041 -3.033
56 HA CYS 8 HA CYS 8 -8.416 -0.571 -3.675
57 1HB CYS 8 1HB CYS 8 -9.184 -0.213 -1.419
58 2HB CYS 8 2HB CYS 8 -7.569 -0.858 -1.400
59 HG CYS 8 HG CYS 8 -8.023 2.177 -0.910
60 HA PRO 9 HA PRO 9 -10.879 2.909 -4.624
61 1HB PRO 9 1HB PRO 9 -13.301 1.873 -4.217
62 2HB PRO 9 2HB PRO 9 -12.218 1.196 -5.439
63 1HG PRO 9 1HG PRO 9 -12.855 0.182 -2.700
64 2HG PRO 9 2HG PRO 9 -12.606 -0.726 -4.202
65 1HD PRO 9 1HD PRO 9 -10.684 -0.331 -2.204
66 2HD PRO 9 2HD PRO 9 -10.354 -0.844 -3.863
67 H LYS 10 H LYS 10 -10.318 2.167 -1.454
68 HA LYS 10 HA LYS 10 -12.474 3.409 -0.111
69 1HB LYS 10 1HB LYS 10 -10.174 1.986 0.617
70 2HB LYS 10 2HB LYS 10 -9.988 3.570 1.359
71 1HG LYS 10 1HG LYS 10 -12.526 2.000 1.637
72 2HG LYS 10 2HG LYS 10 -11.148 1.735 2.707
73 1HD LYS 10 1HD LYS 10 -12.286 4.479 2.260
74 2HD LYS 10 2HD LYS 10 -12.967 3.384 3.464
75 1HE LYS 10 1HE LYS 10 -10.028 3.960 3.415
76 2HE LYS 10 2HE LYS 10 -11.148 5.085 4.182
77 1HZ LYS 10 1HZ LYS 10 -10.783 2.220 4.879
78 2HZ LYS 10 2HZ LYS 10 -11.934 3.245 5.577
79 3HZ LYS 10 3HZ LYS 10 -10.285 3.549 5.799
80 H ARG 11 H ARG 11 -12.930 5.464 0.225
81 HA ARG 11 HA ARG 11 -10.956 7.496 -0.529
82 1HB ARG 11 1HB ARG 11 -12.846 9.058 -0.653
83 2HB ARG 11 2HB ARG 11 -13.098 7.664 -1.690
84 1HG ARG 11 1HG ARG 11 -14.456 6.711 0.279
85 2HG ARG 11 2HG ARG 11 -14.462 8.370 0.879
86 1HD ARG 11 1HD ARG 11 -15.509 7.403 -1.780
87 2HD ARG 11 2HD ARG 11 -16.469 7.955 -0.408
88 HE ARG 11 HE ARG 11 -14.984 10.113 -0.894
89 1HH1 ARG 11 1HH1 ARG 11 -16.772 8.059 -3.099
90 2HH1 ARG 11 2HH1 ARG 11 -17.067 9.332 -4.235
91 1HH2 ARG 11 1HH2 ARG 11 -15.376 11.781 -2.396
92 2HH2 ARG 11 2HH2 ARG 11 -16.274 11.443 -3.837
93 H PHE 12 H PHE 12 -9.888 8.501 1.025
94 HA PHE 12 HA PHE 12 -10.798 8.254 3.781
95 1HB PHE 12 1HB PHE 12 -8.204 9.364 2.681
96 2HB PHE 12 2HB PHE 12 -8.565 9.120 4.381
97 HD1 PHE 12 HD1 PHE 12 -7.226 7.447 5.193
98 HD2 PHE 12 HD2 PHE 12 -9.023 6.933 1.369
99 HE1 PHE 12 HE1 PHE 12 -6.296 5.175 5.058
100 HE2 PHE 12 HE2 PHE 12 -8.098 4.667 1.233
101 HZ PHE 12 HZ PHE 12 -6.734 3.778 3.077
102 H MET 13 H MET 13 -8.936 11.028 2.688
103 HA MET 13 HA MET 13 -11.146 12.849 2.673
104 1HB MET 13 1HB MET 13 -10.290 12.267 5.182
105 2HB MET 13 2HB MET 13 -9.225 13.609 4.788
106 1HG MET 13 1HG MET 13 -11.509 14.703 4.015
107 2HG MET 13 2HG MET 13 -12.159 13.561 5.188
108 1HE MET 13 1HE MET 13 -11.312 16.868 4.561
109 2HE MET 13 2HE MET 13 -9.580 16.724 4.858
110 3HE MET 13 3HE MET 13 -10.600 17.599 5.999
111 H ARG 14 H ARG 14 -7.638 12.657 3.241
112 HA ARG 14 HA ARG 14 -7.244 14.696 1.145
113 1HB ARG 14 1HB ARG 14 -5.747 14.294 3.738
114 2HB ARG 14 2HB ARG 14 -5.136 15.291 2.426
115 1HG ARG 14 1HG ARG 14 -6.482 16.995 2.941
116 2HG ARG 14 2HG ARG 14 -7.873 15.941 3.209
117 1HD ARG 14 1HD ARG 14 -7.615 16.476 5.369
118 2HD ARG 14 2HD ARG 14 -6.283 15.325 5.337
119 HE ARG 14 HE ARG 14 -5.177 17.699 4.541
120 1HH1 ARG 14 1HH1 ARG 14 -6.933 16.606 7.367
121 2HH1 ARG 14 2HH1 ARG 14 -6.146 17.718 8.435
122 1HH2 ARG 14 1HH2 ARG 14 -4.142 19.157 5.952
123 2HH2 ARG 14 2HH2 ARG 14 -4.560 19.166 7.633
124 H SER 15 H SER 15 -4.714 14.597 0.531
125 HA SER 15 HA SER 15 -4.371 12.063 -0.726
126 1HB SER 15 1HB SER 15 -2.154 13.082 -1.450
127 2HB SER 15 2HB SER 15 -3.602 13.956 -1.943
128 HG SER 15 HG SER 15 -1.625 14.657 -0.117
129 H ASP 16 H ASP 16 -2.707 13.734 1.935
130 HA ASP 16 HA ASP 16 -0.743 11.752 2.365
131 1HB ASP 16 1HB ASP 16 -0.393 12.837 4.549
132 2HB ASP 16 2HB ASP 16 -0.474 14.007 3.237
133 H HIS 17 H HIS 17 -4.057 12.071 3.482
134 HA HIS 17 HA HIS 17 -4.089 10.331 5.641
135 1HB HIS 17 1HB HIS 17 -6.141 11.012 3.552
136 2HB HIS 17 2HB HIS 17 -6.494 9.817 4.797
137 HD1 HIS 17 HD1 HIS 17 -8.342 11.406 5.732
138 HD2 HIS 17 HD2 HIS 17 -4.485 12.938 5.921
139 HE1 HIS 17 HE1 HIS 17 -8.477 13.382 7.281
140 HE2 HIS 17 HE2 HIS 17 -6.147 14.336 7.322
141 H LEU 18 H LEU 18 -4.016 9.630 2.204
142 HA LEU 18 HA LEU 18 -4.277 6.757 2.662
143 1HB LEU 18 1HB LEU 18 -3.901 8.314 0.116
144 2HB LEU 18 2HB LEU 18 -4.149 6.588 0.208
145 HG LEU 18 HG LEU 18 -6.403 6.951 1.087
146 1HD1 LEU 18 1HD1 LEU 18 -7.287 9.343 0.820
147 2HD1 LEU 18 2HD1 LEU 18 -5.594 9.828 0.906
148 3HD1 LEU 18 3HD1 LEU 18 -6.334 8.972 2.257
149 1HD2 LEU 18 1HD2 LEU 18 -5.427 7.533 -1.501
150 2HD2 LEU 18 2HD2 LEU 18 -6.769 8.626 -1.165
151 3HD2 LEU 18 3HD2 LEU 18 -7.001 6.882 -1.039
152 H SER 19 H SER 19 -1.968 9.129 1.402
153 HA SER 19 HA SER 19 0.090 7.640 0.492
154 1HB SER 19 1HB SER 19 0.208 10.058 0.517
155 2HB SER 19 2HB SER 19 0.290 10.080 2.279
156 HG SER 19 HG SER 19 2.362 10.285 1.531
157 H LYS 20 H LYS 20 -0.727 8.049 3.906
158 HA LYS 20 HA LYS 20 1.586 6.524 4.769
159 1HB LYS 20 1HB LYS 20 0.650 8.432 6.102
160 2HB LYS 20 2HB LYS 20 -0.784 7.459 6.402
161 1HG LYS 20 1HG LYS 20 0.636 7.322 8.314
162 2HG LYS 20 2HG LYS 20 0.667 5.760 7.494
163 1HD LYS 20 1HD LYS 20 2.909 6.147 7.991
164 2HD LYS 20 2HD LYS 20 2.774 6.674 6.313
165 1HE LYS 20 1HE LYS 20 2.922 8.912 6.865
166 2HE LYS 20 2HE LYS 20 2.365 8.648 8.516
167 1HZ LYS 20 1HZ LYS 20 4.474 7.640 9.055
168 2HZ LYS 20 2HZ LYS 20 4.738 9.176 8.400
169 3HZ LYS 20 3HZ LYS 20 5.008 7.799 7.457
170 H HIS 21 H HIS 21 -1.837 6.024 4.177
171 HA HIS 21 HA HIS 21 -1.900 3.427 5.420
172 1HB HIS 21 1HB HIS 21 -3.991 4.344 5.556
173 2HB HIS 21 2HB HIS 21 -3.843 5.188 4.022
174 HD1 HIS 21 HD1 HIS 21 -5.601 2.426 5.514
175 HD2 HIS 21 HD2 HIS 21 -4.017 3.253 1.773
176 HE1 HIS 21 HE1 HIS 21 -6.803 0.908 3.885
177 H ILE 22 H ILE 22 -1.274 4.652 2.193
178 HA ILE 22 HA ILE 22 -1.770 2.232 0.812
179 HB ILE 22 HB ILE 22 -0.046 3.236 -0.876
180 1HG1 ILE 22 1HG1 ILE 22 -0.782 5.909 -0.139
181 2HG1 ILE 22 2HG1 ILE 22 0.074 5.134 1.188
182 1HG2 ILE 22 1HG2 ILE 22 -2.315 3.056 -1.476
183 2HG2 ILE 22 2HG2 ILE 22 -1.898 4.749 -1.733
184 3HG2 ILE 22 3HG2 ILE 22 -2.807 4.274 -0.299
185 1HD1 ILE 22 1HD1 ILE 22 1.299 4.738 -1.437
186 2HD1 ILE 22 2HD1 ILE 22 2.032 5.164 0.109
187 3HD1 ILE 22 3HD1 ILE 22 1.264 6.409 -0.875
188 H THR 23 H THR 23 1.218 3.579 2.130
189 HA THR 23 HA THR 23 2.926 1.580 1.226
190 HB THR 23 HB THR 23 3.145 3.152 3.805
191 HG1 THR 23 HG1 THR 23 4.036 3.730 1.175
192 1HG2 THR 23 1HG2 THR 23 5.190 1.625 2.227
193 2HG2 THR 23 2HG2 THR 23 4.803 1.502 3.944
194 3HG2 THR 23 3HG2 THR 23 5.623 2.936 3.325
195 H LEU 24 H LEU 24 0.524 1.361 3.679
196 HA LEU 24 HA LEU 24 1.686 -1.156 4.672
197 1HB LEU 24 1HB LEU 24 0.011 -0.969 6.500
198 2HB LEU 24 2HB LEU 24 1.164 0.355 6.463
199 HG LEU 24 HG LEU 24 -0.809 1.374 4.942
200 1HD1 LEU 24 1HD1 LEU 24 -2.526 0.380 7.084
201 2HD1 LEU 24 2HD1 LEU 24 -2.048 -0.844 5.908
202 3HD1 LEU 24 3HD1 LEU 24 -2.866 0.625 5.370
203 1HD2 LEU 24 1HD2 LEU 24 0.308 2.503 6.784
204 2HD2 LEU 24 2HD2 LEU 24 -0.598 1.534 7.944
205 3HD2 LEU 24 3HD2 LEU 24 -1.440 2.689 6.910
206 H HIS 25 H HIS 25 -1.264 0.285 3.338
207 HA HIS 25 HA HIS 25 -2.690 -2.177 3.286
208 1HB HIS 25 1HB HIS 25 -4.441 -0.814 3.035
209 2HB HIS 25 2HB HIS 25 -3.347 0.549 2.991
210 HD1 HIS 25 HD1 HIS 25 -5.061 -1.857 0.599
211 HD2 HIS 25 HD2 HIS 25 -3.330 1.921 0.667
212 HE1 HIS 25 HE1 HIS 25 -5.579 -0.794 -1.637
213 H GLU 26 H GLU 26 -0.640 -0.458 0.993
214 HA GLU 26 HA GLU 26 -1.429 -2.232 -1.158
215 1HB GLU 26 1HB GLU 26 -0.205 -0.909 -2.580
216 2HB GLU 26 2HB GLU 26 -0.596 0.254 -1.325
217 1HG GLU 26 1HG GLU 26 1.670 -0.339 -0.319
218 2HG GLU 26 2HG GLU 26 2.014 -1.115 -1.863
219 H LEU 27 H LEU 27 0.607 -2.401 1.530
220 HA LEU 27 HA LEU 27 2.422 -4.327 0.245
221 1HB LEU 27 1HB LEU 27 2.463 -2.865 2.868
222 2HB LEU 27 2HB LEU 27 3.457 -4.289 2.624
223 1HD1 LEU 27 1HD1 LEU 27 5.319 -4.303 1.198
224 2HD1 LEU 27 2HD1 LEU 27 5.842 -2.863 0.325
225 3HD1 LEU 27 3HD1 LEU 27 4.458 -3.791 -0.253
226 1HD2 LEU 27 1HD2 LEU 27 3.341 -1.808 -0.378
227 2HD2 LEU 27 2HD2 LEU 27 4.047 -0.603 0.701
228 3HD2 LEU 27 3HD2 LEU 27 2.444 -1.262 1.042
229 H LEU 28 H LEU 28 0.579 -4.124 3.297
230 HA LEU 28 HA LEU 28 0.185 -7.035 3.179
231 1HB LEU 28 1HB LEU 28 0.273 -5.060 5.430
232 2HB LEU 28 2HB LEU 28 -0.566 -6.585 5.637
233 HG LEU 28 HG LEU 28 2.198 -6.757 4.590
234 1HD1 LEU 28 1HD1 LEU 28 2.457 -5.010 6.264
235 2HD1 LEU 28 2HD1 LEU 28 3.182 -6.521 6.814
236 3HD1 LEU 28 3HD1 LEU 28 1.620 -6.008 7.453
237 1HD2 LEU 28 1HD2 LEU 28 2.261 -8.719 5.975
238 2HD2 LEU 28 2HD2 LEU 28 0.752 -8.716 5.063
239 3HD2 LEU 28 3HD2 LEU 28 0.752 -8.261 6.767
240 H GLY 29 H GLY 29 -1.877 -7.933 3.463
241 1HA GLY 29 1HA GLY 29 -4.041 -6.219 2.557
242 2HA GLY 29 2HA GLY 29 -4.094 -7.967 2.731
243 H GLU 30 H GLU 30 -3.837 -5.025 4.742
244 HA GLU 30 HA GLU 30 -6.092 -5.767 6.322
245 1HB GLU 30 1HB GLU 30 -4.197 -7.246 7.198
246 2HB GLU 30 2HB GLU 30 -3.469 -5.768 7.811
247 1HG GLU 30 1HG GLU 30 -6.276 -6.550 8.517
248 2HG GLU 30 2HG GLU 30 -4.886 -7.164 9.409
249 H GLU 31 H GLU 31 -6.923 -3.750 6.097
250 HA GLU 31 HA GLU 31 -5.272 -1.481 6.977
251 1HB GLU 31 1HB GLU 31 -7.249 -0.147 5.901
252 2HB GLU 31 2HB GLU 31 -5.997 -0.844 4.888
253 1HG GLU 31 1HG GLU 31 -7.435 -2.184 3.840
254 2HG GLU 31 2HG GLU 31 -8.242 -2.648 5.335
255 H ARG 32 H ARG 32 -8.709 -2.487 7.122
256 HA ARG 32 HA ARG 32 -8.899 -1.163 9.740
257 1HB ARG 32 1HB ARG 32 -10.532 -0.928 7.547
258 2HB ARG 32 2HB ARG 32 -11.388 -2.122 8.512
259 1HG ARG 32 1HG ARG 32 -10.999 -0.413 10.447
260 2HG ARG 32 2HG ARG 32 -10.786 0.732 9.122
261 1HD ARG 32 1HD ARG 32 -13.065 0.855 9.669
262 2HD ARG 32 2HD ARG 32 -12.997 -0.145 8.218
263 HE ARG 32 HE ARG 32 -12.923 -1.729 10.585
264 1HH1 ARG 32 1HH1 ARG 32 -15.099 0.066 8.508
265 2HH1 ARG 32 2HH1 ARG 32 -16.481 -0.886 8.929
266 1HH2 ARG 32 1HH2 ARG 32 -14.751 -2.977 11.137
267 2HH2 ARG 32 2HH2 ARG 32 -16.286 -2.612 10.421
268 H ARG 33 H ARG 33 -10.509 -2.253 11.267
269 HA ARG 33 HA ARG 33 -9.925 -5.137 11.314
270 1HB ARG 33 1HB ARG 33 -10.346 -4.978 13.769
271 2HB ARG 33 2HB ARG 33 -8.969 -4.038 13.217
272 1HG ARG 33 1HG ARG 33 -11.514 -2.571 13.317
273 2HG ARG 33 2HG ARG 33 -10.890 -3.116 14.875
274 1HD ARG 33 1HD ARG 33 -8.698 -2.072 14.264
275 2HD ARG 33 2HD ARG 33 -9.485 -1.393 12.841
276 HE ARG 33 HE ARG 33 -10.578 0.127 14.185
277 1HH1 ARG 33 1HH1 ARG 33 -8.960 -2.245 16.193
278 2HH1 ARG 33 2HH1 ARG 33 -9.191 -1.345 17.653
279 1HH2 ARG 33 1HH2 ARG 33 -10.883 1.303 16.112
280 2HH2 ARG 33 2HH2 ARG 33 -10.283 0.669 17.609
Start of MODEL 9
1 H TYR 1 H TYR 1 -14.673 13.843 1.620
2 HA TYR 1 HA TYR 1 -12.881 12.686 0.775
3 1HB TYR 1 1HB TYR 1 -15.287 10.931 0.243
4 2HB TYR 1 2HB TYR 1 -13.703 10.430 0.820
5 HD1 TYR 1 HD1 TYR 1 -13.003 11.044 3.153
6 HD2 TYR 1 HD2 TYR 1 -16.972 11.641 1.743
7 HE1 TYR 1 HE1 TYR 1 -13.793 11.231 5.473
8 HE2 TYR 1 HE2 TYR 1 -17.774 11.830 4.059
9 HH TYR 1 HH TYR 1 -16.673 10.817 6.477
10 H LYS 2 H LYS 2 -11.796 13.209 -1.057
11 HA LYS 2 HA LYS 2 -12.763 12.018 -3.556
12 1HB LYS 2 1HB LYS 2 -12.140 14.892 -3.055
13 2HB LYS 2 2HB LYS 2 -11.710 14.212 -4.617
14 1HG LYS 2 1HG LYS 2 -13.854 14.046 -5.290
15 2HG LYS 2 2HG LYS 2 -14.446 13.648 -3.677
16 1HD LYS 2 1HD LYS 2 -14.962 15.778 -3.238
17 2HD LYS 2 2HD LYS 2 -13.408 16.359 -3.837
18 1HE LYS 2 1HE LYS 2 -15.489 15.464 -5.782
19 2HE LYS 2 2HE LYS 2 -15.638 17.048 -5.027
20 1HZ LYS 2 1HZ LYS 2 -13.297 16.087 -6.584
21 2HZ LYS 2 2HZ LYS 2 -13.436 17.608 -5.858
22 3HZ LYS 2 3HZ LYS 2 -14.466 17.183 -7.130
23 H PHE 3 H PHE 3 -10.861 10.835 -1.975
24 HA PHE 3 HA PHE 3 -8.575 10.871 -3.750
25 1HB PHE 3 1HB PHE 3 -8.297 12.561 -1.720
26 2HB PHE 3 2HB PHE 3 -7.873 11.087 -0.855
27 HD1 PHE 3 HD1 PHE 3 -6.868 13.444 -3.457
28 HD2 PHE 3 HD2 PHE 3 -5.868 9.861 -1.410
29 HE1 PHE 3 HE1 PHE 3 -4.577 13.579 -4.344
30 HE2 PHE 3 HE2 PHE 3 -3.574 9.976 -2.285
31 HZ PHE 3 HZ PHE 3 -2.926 11.845 -3.762
32 H ALA 4 H ALA 4 -8.599 8.779 -4.281
33 HA ALA 4 HA ALA 4 -8.793 6.794 -2.144
34 1HB ALA 4 1HB ALA 4 -10.677 6.674 -3.669
35 2HB ALA 4 2HB ALA 4 -9.671 5.233 -3.818
36 3HB ALA 4 3HB ALA 4 -9.576 6.505 -5.037
37 H CYS 5 H CYS 5 -7.396 5.018 -2.147
38 HA CYS 5 HA CYS 5 -4.775 5.502 -3.073
39 1HB CYS 5 1HB CYS 5 -5.868 2.820 -2.223
40 2HB CYS 5 2HB CYS 5 -4.204 3.381 -2.128
41 HG CYS 5 HG CYS 5 -6.133 3.614 0.062
42 HA PRO 6 HA PRO 6 -4.770 3.803 -7.149
43 1HB PRO 6 1HB PRO 6 -2.266 2.735 -7.280
44 2HB PRO 6 2HB PRO 6 -2.584 4.471 -7.360
45 1HG PRO 6 1HG PRO 6 -1.693 2.813 -5.036
46 2HG PRO 6 2HG PRO 6 -1.140 4.418 -5.543
47 1HD PRO 6 1HD PRO 6 -2.894 4.053 -3.515
48 2HD PRO 6 2HD PRO 6 -2.932 5.483 -4.565
49 H GLU 7 H GLU 7 -4.348 1.804 -4.367
50 HA GLU 7 HA GLU 7 -4.577 -0.652 -5.944
51 1HB GLU 7 1HB GLU 7 -3.710 -0.055 -3.138
52 2HB GLU 7 2HB GLU 7 -4.256 -1.670 -3.560
53 1HG GLU 7 1HG GLU 7 -1.911 -1.685 -3.749
54 2HG GLU 7 2HG GLU 7 -2.540 -1.657 -5.395
55 H CYS 8 H CYS 8 -6.094 0.883 -3.068
56 HA CYS 8 HA CYS 8 -8.457 -0.797 -3.553
57 1HB CYS 8 1HB CYS 8 -9.123 -0.405 -1.283
58 2HB CYS 8 2HB CYS 8 -7.477 -0.963 -1.305
59 HG CYS 8 HG CYS 8 -6.789 1.595 -0.861
60 HA PRO 9 HA PRO 9 -11.042 2.579 -4.519
61 1HB PRO 9 1HB PRO 9 -13.422 1.588 -3.812
62 2HB PRO 9 2HB PRO 9 -12.459 0.840 -5.091
63 1HG PRO 9 1HG PRO 9 -12.836 -0.017 -2.255
64 2HG PRO 9 2HG PRO 9 -12.715 -1.007 -3.720
65 1HD PRO 9 1HD PRO 9 -10.630 -0.506 -1.925
66 2HD PRO 9 2HD PRO 9 -10.438 -1.099 -3.577
67 H LYS 10 H LYS 10 -10.352 1.943 -1.294
68 HA LYS 10 HA LYS 10 -12.303 3.265 0.161
69 1HB LYS 10 1HB LYS 10 -9.465 2.561 0.589
70 2HB LYS 10 2HB LYS 10 -10.084 3.865 1.594
71 1HG LYS 10 1HG LYS 10 -11.600 1.300 1.365
72 2HG LYS 10 2HG LYS 10 -10.204 1.419 2.437
73 1HD LYS 10 1HD LYS 10 -11.593 2.248 3.972
74 2HD LYS 10 2HD LYS 10 -11.676 3.707 2.984
75 1HE LYS 10 1HE LYS 10 -13.906 3.183 3.214
76 2HE LYS 10 2HE LYS 10 -13.517 2.388 1.689
77 1HZ LYS 10 1HZ LYS 10 -13.641 1.075 4.352
78 2HZ LYS 10 2HZ LYS 10 -13.239 0.306 2.900
79 3HZ LYS 10 3HZ LYS 10 -14.794 0.935 3.121
80 H ARG 11 H ARG 11 -12.908 5.298 0.366
81 HA ARG 11 HA ARG 11 -11.304 7.390 -0.915
82 1HB ARG 11 1HB ARG 11 -13.413 8.768 -0.658
83 2HB ARG 11 2HB ARG 11 -13.526 7.398 -1.751
84 1HG ARG 11 1HG ARG 11 -14.862 6.180 -0.286
85 2HG ARG 11 2HG ARG 11 -14.397 7.161 1.105
86 1HD ARG 11 1HD ARG 11 -15.507 9.056 -0.443
87 2HD ARG 11 2HD ARG 11 -16.432 7.655 -0.980
88 HE ARG 11 HE ARG 11 -16.449 7.596 1.787
89 1HH1 ARG 11 1HH1 ARG 11 -17.568 9.756 -0.731
90 2HH1 ARG 11 2HH1 ARG 11 -18.889 10.364 0.209
91 1HH2 ARG 11 1HH2 ARG 11 -18.189 8.402 3.020
92 2HH2 ARG 11 2HH2 ARG 11 -19.241 9.597 2.337
93 H PHE 12 H PHE 12 -10.069 8.621 0.320
94 HA PHE 12 HA PHE 12 -10.631 8.794 3.195
95 1HB PHE 12 1HB PHE 12 -8.139 9.612 1.690
96 2HB PHE 12 2HB PHE 12 -8.330 9.590 3.433
97 HD1 PHE 12 HD1 PHE 12 -7.155 7.925 4.446
98 HD2 PHE 12 HD2 PHE 12 -8.929 7.128 0.659
99 HE1 PHE 12 HE1 PHE 12 -6.267 5.633 4.515
100 HE2 PHE 12 HE2 PHE 12 -8.049 4.834 0.727
101 HZ PHE 12 HZ PHE 12 -6.707 4.078 2.654
102 H MET 13 H MET 13 -9.587 11.060 4.036
103 HA MET 13 HA MET 13 -11.296 13.093 2.831
104 1HB MET 13 1HB MET 13 -11.141 12.534 5.358
105 2HB MET 13 2HB MET 13 -9.659 13.477 5.319
106 1HG MET 13 1HG MET 13 -10.844 15.322 5.557
107 2HG MET 13 2HG MET 13 -11.632 15.006 4.012
108 1HE MET 13 1HE MET 13 -15.154 14.898 5.021
109 2HE MET 13 2HE MET 13 -14.117 14.241 3.756
110 3HE MET 13 3HE MET 13 -13.899 15.904 4.298
111 H ARG 14 H ARG 14 -7.874 12.475 3.479
112 HA ARG 14 HA ARG 14 -7.208 14.780 1.766
113 1HB ARG 14 1HB ARG 14 -5.697 13.911 4.238
114 2HB ARG 14 2HB ARG 14 -5.239 15.222 3.162
115 1HG ARG 14 1HG ARG 14 -7.146 16.508 3.801
116 2HG ARG 14 2HG ARG 14 -7.814 15.155 4.716
117 1HD ARG 14 1HD ARG 14 -6.867 16.379 6.407
118 2HD ARG 14 2HD ARG 14 -5.532 15.302 6.000
119 HE ARG 14 HE ARG 14 -5.136 17.502 4.432
120 1HH1 ARG 14 1HH1 ARG 14 -5.496 16.972 7.877
121 2HH1 ARG 14 2HH1 ARG 14 -4.502 18.322 8.311
122 1HH2 ARG 14 1HH2 ARG 14 -3.829 19.276 5.012
123 2HH2 ARG 14 2HH2 ARG 14 -3.555 19.631 6.685
124 H SER 15 H SER 15 -4.895 14.638 0.954
125 HA SER 15 HA SER 15 -4.556 12.162 -0.418
126 1HB SER 15 1HB SER 15 -2.552 14.424 -0.193
127 2HB SER 15 2HB SER 15 -2.632 13.193 -1.453
128 HG SER 15 HG SER 15 -4.070 15.516 -1.165
129 H ASP 16 H ASP 16 -2.753 13.766 2.199
130 HA ASP 16 HA ASP 16 -0.749 11.815 2.478
131 1HB ASP 16 1HB ASP 16 -0.429 12.771 4.766
132 2HB ASP 16 2HB ASP 16 -0.426 13.969 3.478
133 H HIS 17 H HIS 17 -4.035 11.967 3.685
134 HA HIS 17 HA HIS 17 -3.960 10.103 5.743
135 1HB HIS 17 1HB HIS 17 -6.096 10.804 3.736
136 2HB HIS 17 2HB HIS 17 -6.368 9.578 4.968
137 HD1 HIS 17 HD1 HIS 17 -8.293 11.362 5.681
138 HD2 HIS 17 HD2 HIS 17 -4.355 12.466 6.406
139 HE1 HIS 17 HE1 HIS 17 -8.417 13.235 7.353
140 HE2 HIS 17 HE2 HIS 17 -6.027 13.940 7.717
141 H LEU 18 H LEU 18 -3.804 9.646 2.283
142 HA LEU 18 HA LEU 18 -4.080 6.751 2.484
143 1HB LEU 18 1HB LEU 18 -3.510 8.522 0.120
144 2HB LEU 18 2HB LEU 18 -3.751 6.792 0.042
145 HG LEU 18 HG LEU 18 -6.071 7.194 0.961
146 1HD1 LEU 18 1HD1 LEU 18 -6.110 9.311 1.866
147 2HD1 LEU 18 2HD1 LEU 18 -6.822 9.601 0.278
148 3HD1 LEU 18 3HD1 LEU 18 -5.129 9.996 0.572
149 1HD2 LEU 18 1HD2 LEU 18 -5.832 6.627 -1.306
150 2HD2 LEU 18 2HD2 LEU 18 -5.158 8.206 -1.708
151 3HD2 LEU 18 3HD2 LEU 18 -6.864 8.056 -1.284
152 H SER 19 H SER 19 -1.700 9.145 1.369
153 HA SER 19 HA SER 19 0.376 7.660 0.576
154 1HB SER 19 1HB SER 19 0.614 10.035 0.601
155 2HB SER 19 2HB SER 19 0.455 10.105 2.356
156 HG SER 19 HG SER 19 2.644 9.352 0.785
157 H LYS 20 H LYS 20 -0.480 8.116 3.989
158 HA LYS 20 HA LYS 20 1.735 6.481 4.887
159 1HB LYS 20 1HB LYS 20 -0.503 7.955 6.215
160 2HB LYS 20 2HB LYS 20 0.326 6.687 7.108
161 1HG LYS 20 1HG LYS 20 1.774 8.262 7.712
162 2HG LYS 20 2HG LYS 20 2.401 8.161 6.066
163 1HD LYS 20 1HD LYS 20 1.998 10.429 6.302
164 2HD LYS 20 2HD LYS 20 0.520 9.867 5.519
165 1HE LYS 20 1HE LYS 20 -0.119 9.545 8.138
166 2HE LYS 20 2HE LYS 20 0.942 10.950 8.221
167 1HZ LYS 20 1HZ LYS 20 -1.396 10.738 6.404
168 2HZ LYS 20 2HZ LYS 20 -0.444 12.108 6.682
169 3HZ LYS 20 3HZ LYS 20 -1.432 11.504 7.913
170 H HIS 21 H HIS 21 -1.690 6.108 4.230
171 HA HIS 21 HA HIS 21 -1.879 3.499 5.433
172 1HB HIS 21 1HB HIS 21 -3.944 4.471 5.531
173 2HB HIS 21 2HB HIS 21 -3.718 5.364 4.035
174 HD1 HIS 21 HD1 HIS 21 -5.788 2.804 5.325
175 HD2 HIS 21 HD2 HIS 21 -3.743 3.332 1.758
176 HE1 HIS 21 HE1 HIS 21 -6.937 1.321 3.625
177 H ILE 22 H ILE 22 -1.307 4.740 2.167
178 HA ILE 22 HA ILE 22 -1.821 2.327 0.812
179 HB ILE 22 HB ILE 22 -0.128 3.319 -0.921
180 1HG1 ILE 22 1HG1 ILE 22 -0.822 5.999 -0.175
181 2HG1 ILE 22 2HG1 ILE 22 0.047 5.220 1.143
182 1HG2 ILE 22 1HG2 ILE 22 -2.240 3.315 -1.735
183 2HG2 ILE 22 2HG2 ILE 22 -2.099 5.051 -1.459
184 3HG2 ILE 22 3HG2 ILE 22 -2.922 4.035 -0.277
185 1HD1 ILE 22 1HD1 ILE 22 1.886 4.691 -0.337
186 2HD1 ILE 22 2HD1 ILE 22 1.540 6.420 -0.379
187 3HD1 ILE 22 3HD1 ILE 22 1.005 5.381 -1.701
188 H THR 23 H THR 23 1.239 3.641 2.014
189 HA THR 23 HA THR 23 2.898 1.638 1.070
190 HB THR 23 HB THR 23 3.154 3.129 3.693
191 HG1 THR 23 HG1 THR 23 3.282 4.725 2.318
192 1HG2 THR 23 1HG2 THR 23 5.186 1.639 2.060
193 2HG2 THR 23 2HG2 THR 23 4.767 1.410 3.758
194 3HG2 THR 23 3HG2 THR 23 5.615 2.870 3.248
195 H LEU 24 H LEU 24 0.624 1.480 3.703
196 HA LEU 24 HA LEU 24 1.692 -1.120 4.547
197 1HB LEU 24 1HB LEU 24 0.094 -0.920 6.439
198 2HB LEU 24 2HB LEU 24 1.284 0.369 6.381
199 HG LEU 24 HG LEU 24 -0.710 1.502 4.979
200 1HD1 LEU 24 1HD1 LEU 24 -2.762 0.753 5.406
201 2HD1 LEU 24 2HD1 LEU 24 -2.411 0.506 7.118
202 3HD1 LEU 24 3HD1 LEU 24 -1.970 -0.731 5.940
203 1HD2 LEU 24 1HD2 LEU 24 0.570 2.374 6.950
204 2HD2 LEU 24 2HD2 LEU 24 -0.617 1.575 7.982
205 3HD2 LEU 24 3HD2 LEU 24 -1.125 2.856 6.881
206 H HIS 25 H HIS 25 -1.289 0.412 3.368
207 HA HIS 25 HA HIS 25 -2.816 -1.973 3.343
208 1HB HIS 25 1HB HIS 25 -4.476 -0.523 2.988
209 2HB HIS 25 2HB HIS 25 -3.315 0.776 2.847
210 HD1 HIS 25 HD1 HIS 25 -5.007 -1.792 0.597
211 HD2 HIS 25 HD2 HIS 25 -3.357 2.023 0.469
212 HE1 HIS 25 HE1 HIS 25 -5.521 -0.867 -1.699
213 H GLU 26 H GLU 26 -0.577 -0.505 1.083
214 HA GLU 26 HA GLU 26 -1.312 -2.378 -1.025
215 1HB GLU 26 1HB GLU 26 0.003 -1.130 -2.466
216 2HB GLU 26 2HB GLU 26 -0.542 0.098 -1.336
217 1HG GLU 26 1HG GLU 26 1.634 0.653 -1.329
218 2HG GLU 26 2HG GLU 26 1.740 -0.635 -0.131
219 H LEU 27 H LEU 27 0.923 -2.088 1.602
220 HA LEU 27 HA LEU 27 2.858 -3.954 0.560
221 1HB LEU 27 1HB LEU 27 3.845 -2.546 2.083
222 2HB LEU 27 2HB LEU 27 2.433 -2.498 3.120
223 1HD1 LEU 27 1HD1 LEU 27 5.685 -4.667 4.191
224 2HD1 LEU 27 2HD1 LEU 27 5.467 -2.950 3.852
225 3HD1 LEU 27 3HD1 LEU 27 5.641 -4.097 2.524
226 1HD2 LEU 27 1HD2 LEU 27 3.264 -4.962 5.413
227 2HD2 LEU 27 2HD2 LEU 27 2.096 -3.781 4.820
228 3HD2 LEU 27 3HD2 LEU 27 3.662 -3.244 5.427
229 H LEU 28 H LEU 28 0.580 -4.123 3.311
230 HA LEU 28 HA LEU 28 0.577 -7.049 3.046
231 1HB LEU 28 1HB LEU 28 0.903 -5.427 5.269
232 2HB LEU 28 2HB LEU 28 -0.763 -5.956 5.392
233 HG LEU 28 HG LEU 28 -0.006 -8.309 5.258
234 1HD1 LEU 28 1HD1 LEU 28 2.422 -8.747 5.616
235 2HD1 LEU 28 2HD1 LEU 28 2.729 -7.047 5.258
236 3HD1 LEU 28 3HD1 LEU 28 2.028 -8.095 4.025
237 1HD2 LEU 28 1HD2 LEU 28 0.673 -8.462 7.497
238 2HD2 LEU 28 2HD2 LEU 28 -0.275 -6.977 7.415
239 3HD2 LEU 28 3HD2 LEU 28 1.487 -6.898 7.448
240 H GLY 29 H GLY 29 -1.086 -7.886 1.982
241 1HA GLY 29 1HA GLY 29 -3.575 -6.372 1.741
242 2HA GLY 29 2HA GLY 29 -3.126 -7.792 0.808
243 H GLU 30 H GLU 30 -4.128 -6.725 4.038
244 HA GLU 30 HA GLU 30 -4.891 -9.429 4.773
245 1HB GLU 30 1HB GLU 30 -4.224 -7.030 6.185
246 2HB GLU 30 2HB GLU 30 -5.825 -7.552 6.692
247 1HG GLU 30 1HG GLU 30 -4.533 -8.690 8.179
248 2HG GLU 30 2HG GLU 30 -4.655 -9.889 6.893
249 H GLU 31 H GLU 31 -6.667 -10.115 3.729
250 HA GLU 31 HA GLU 31 -9.018 -8.350 3.632
251 1HB GLU 31 1HB GLU 31 -9.832 -9.677 1.815
252 2HB GLU 31 2HB GLU 31 -8.148 -9.304 1.482
253 1HG GLU 31 1HG GLU 31 -7.670 -11.451 1.290
254 2HG GLU 31 2HG GLU 31 -8.287 -11.772 2.909
255 H ARG 32 H ARG 32 -11.158 -9.699 3.675
256 HA ARG 32 HA ARG 32 -11.225 -11.011 6.242
257 1HB ARG 32 1HB ARG 32 -12.981 -9.393 5.178
258 2HB ARG 32 2HB ARG 32 -13.585 -10.847 4.397
259 1HG ARG 32 1HG ARG 32 -13.281 -11.544 7.078
260 2HG ARG 32 2HG ARG 32 -13.961 -9.915 7.095
261 1HD ARG 32 1HD ARG 32 -15.813 -11.369 7.062
262 2HD ARG 32 2HD ARG 32 -15.661 -10.763 5.414
263 HE ARG 32 HE ARG 32 -15.201 -12.891 4.707
264 1HH1 ARG 32 1HH1 ARG 32 -14.871 -12.790 8.193
265 2HH1 ARG 32 2HH1 ARG 32 -14.711 -14.505 8.350
266 1HH2 ARG 32 1HH2 ARG 32 -14.988 -15.150 4.922
267 2HH2 ARG 32 2HH2 ARG 32 -14.777 -15.846 6.494
268 H ARG 33 H ARG 33 -9.918 -12.859 5.716
269 HA ARG 33 HA ARG 33 -9.602 -15.056 5.275
270 1HB ARG 33 1HB ARG 33 -12.608 -14.957 5.080
271 2HB ARG 33 2HB ARG 33 -11.709 -16.450 4.853
272 1HG ARG 33 1HG ARG 33 -11.313 -14.797 7.315
273 2HG ARG 33 2HG ARG 33 -12.681 -15.903 7.177
274 1HD ARG 33 1HD ARG 33 -10.097 -17.059 6.410
275 2HD ARG 33 2HD ARG 33 -10.205 -16.577 8.102
276 HE ARG 33 HE ARG 33 -12.489 -17.971 7.720
277 1HH1 ARG 33 1HH1 ARG 33 -9.126 -18.705 7.075
278 2HH1 ARG 33 2HH1 ARG 33 -9.329 -20.410 7.303
279 1HH2 ARG 33 1HH2 ARG 33 -12.748 -20.216 8.025
280 2HH2 ARG 33 2HH2 ARG 33 -11.383 -21.267 7.842
Start of MODEL 10
1 H TYR 1 H TYR 1 -14.881 13.009 2.283
2 HA TYR 1 HA TYR 1 -12.920 12.408 1.267
3 1HB TYR 1 1HB TYR 1 -15.101 10.734 -0.006
4 2HB TYR 1 2HB TYR 1 -13.463 10.216 0.373
5 HD1 TYR 1 HD1 TYR 1 -12.786 10.254 2.877
6 HD2 TYR 1 HD2 TYR 1 -16.817 10.379 1.523
7 HE1 TYR 1 HE1 TYR 1 -13.543 9.469 5.081
8 HE2 TYR 1 HE2 TYR 1 -17.586 9.594 3.723
9 HH TYR 1 HH TYR 1 -16.122 8.085 5.755
10 H LYS 2 H LYS 2 -11.521 12.635 -0.403
11 HA LYS 2 HA LYS 2 -12.464 12.809 -3.133
12 1HB LYS 2 1HB LYS 2 -12.549 15.149 -1.885
13 2HB LYS 2 2HB LYS 2 -10.832 15.152 -2.261
14 1HG LYS 2 1HG LYS 2 -11.733 16.257 -4.067
15 2HG LYS 2 2HG LYS 2 -11.613 14.603 -4.671
16 1HD LYS 2 1HD LYS 2 -14.052 14.417 -3.707
17 2HD LYS 2 2HD LYS 2 -14.025 16.173 -3.885
18 1HE LYS 2 1HE LYS 2 -14.884 15.477 -5.919
19 2HE LYS 2 2HE LYS 2 -13.169 15.673 -6.276
20 1HZ LYS 2 1HZ LYS 2 -14.509 13.099 -5.633
21 2HZ LYS 2 2HZ LYS 2 -12.871 13.295 -6.005
22 3HZ LYS 2 3HZ LYS 2 -14.047 13.606 -7.179
23 H PHE 3 H PHE 3 -10.733 10.973 -1.799
24 HA PHE 3 HA PHE 3 -8.539 10.998 -3.613
25 1HB PHE 3 1HB PHE 3 -7.984 12.591 -1.544
26 2HB PHE 3 2HB PHE 3 -7.549 11.057 -0.803
27 HD1 PHE 3 HD1 PHE 3 -6.776 13.401 -3.525
28 HD2 PHE 3 HD2 PHE 3 -5.593 9.875 -1.473
29 HE1 PHE 3 HE1 PHE 3 -4.584 13.490 -4.638
30 HE2 PHE 3 HE2 PHE 3 -3.401 9.949 -2.575
31 HZ PHE 3 HZ PHE 3 -2.891 11.762 -4.166
32 H ALA 4 H ALA 4 -8.555 8.921 -4.177
33 HA ALA 4 HA ALA 4 -8.850 6.893 -2.089
34 1HB ALA 4 1HB ALA 4 -10.731 6.872 -3.606
35 2HB ALA 4 2HB ALA 4 -9.768 5.412 -3.829
36 3HB ALA 4 3HB ALA 4 -9.645 6.735 -4.988
37 H CYS 5 H CYS 5 -7.462 5.139 -2.044
38 HA CYS 5 HA CYS 5 -4.845 5.518 -2.988
39 1HB CYS 5 1HB CYS 5 -6.089 2.899 -2.129
40 2HB CYS 5 2HB CYS 5 -4.377 3.305 -2.130
41 HG CYS 5 HG CYS 5 -5.966 3.585 0.219
42 HA PRO 6 HA PRO 6 -4.936 3.864 -7.089
43 1HB PRO 6 1HB PRO 6 -2.421 2.881 -7.316
44 2HB PRO 6 2HB PRO 6 -2.771 4.614 -7.306
45 1HG PRO 6 1HG PRO 6 -1.804 2.864 -5.077
46 2HG PRO 6 2HG PRO 6 -1.270 4.493 -5.533
47 1HD PRO 6 1HD PRO 6 -2.984 4.031 -3.484
48 2HD PRO 6 2HD PRO 6 -3.038 5.508 -4.466
49 H GLU 7 H GLU 7 -4.378 1.844 -4.342
50 HA GLU 7 HA GLU 7 -4.573 -0.599 -5.941
51 1HB GLU 7 1HB GLU 7 -3.559 0.040 -3.215
52 2HB GLU 7 2HB GLU 7 -4.218 -1.567 -3.487
53 1HG GLU 7 1HG GLU 7 -2.451 -0.914 -5.629
54 2HG GLU 7 2HG GLU 7 -1.642 -0.607 -4.094
55 H CYS 8 H CYS 8 -6.106 0.921 -3.075
56 HA CYS 8 HA CYS 8 -8.393 -0.885 -3.466
57 1HB CYS 8 1HB CYS 8 -9.047 -0.440 -1.202
58 2HB CYS 8 2HB CYS 8 -7.379 -0.925 -1.230
59 HG CYS 8 HG CYS 8 -7.147 1.065 0.226
60 HA PRO 9 HA PRO 9 -11.148 2.328 -4.514
61 1HB PRO 9 1HB PRO 9 -13.470 1.282 -3.686
62 2HB PRO 9 2HB PRO 9 -12.521 0.522 -4.967
63 1HG PRO 9 1HG PRO 9 -12.778 -0.241 -2.093
64 2HG PRO 9 2HG PRO 9 -12.655 -1.279 -3.523
65 1HD PRO 9 1HD PRO 9 -10.548 -0.627 -1.805
66 2HD PRO 9 2HD PRO 9 -10.375 -1.275 -3.440
67 H LYS 10 H LYS 10 -10.438 1.783 -1.246
68 HA LYS 10 HA LYS 10 -12.391 3.202 0.127
69 1HB LYS 10 1HB LYS 10 -9.705 2.230 0.670
70 2HB LYS 10 2HB LYS 10 -10.028 3.755 1.486
71 1HG LYS 10 1HG LYS 10 -11.932 1.441 1.650
72 2HG LYS 10 2HG LYS 10 -10.553 1.599 2.740
73 1HD LYS 10 1HD LYS 10 -11.974 2.776 4.023
74 2HD LYS 10 2HD LYS 10 -11.648 4.088 2.890
75 1HE LYS 10 1HE LYS 10 -13.608 3.486 1.589
76 2HE LYS 10 2HE LYS 10 -13.912 2.107 2.645
77 1HZ LYS 10 1HZ LYS 10 -15.327 3.988 3.201
78 2HZ LYS 10 2HZ LYS 10 -13.971 4.961 3.475
79 3HZ LYS 10 3HZ LYS 10 -14.276 3.635 4.480
80 H ARG 11 H ARG 11 -12.866 5.271 0.378
81 HA ARG 11 HA ARG 11 -11.146 7.258 -0.933
82 1HB ARG 11 1HB ARG 11 -13.163 8.718 -0.915
83 2HB ARG 11 2HB ARG 11 -13.371 7.243 -1.846
84 1HG ARG 11 1HG ARG 11 -14.231 6.750 0.823
85 2HG ARG 11 2HG ARG 11 -14.976 8.244 0.252
86 1HD ARG 11 1HD ARG 11 -14.972 5.690 -1.340
87 2HD ARG 11 2HD ARG 11 -16.258 6.119 -0.214
88 HE ARG 11 HE ARG 11 -16.181 8.285 -1.770
89 1HH1 ARG 11 1HH1 ARG 11 -16.218 4.883 -2.609
90 2HH1 ARG 11 2HH1 ARG 11 -17.030 5.140 -4.115
91 1HH2 ARG 11 1HH2 ARG 11 -17.250 8.613 -3.757
92 2HH2 ARG 11 2HH2 ARG 11 -17.615 7.255 -4.768
93 H PHE 12 H PHE 12 -9.980 8.552 0.285
94 HA PHE 12 HA PHE 12 -10.639 8.826 3.135
95 1HB PHE 12 1HB PHE 12 -8.063 9.576 1.744
96 2HB PHE 12 2HB PHE 12 -8.342 9.525 3.472
97 HD1 PHE 12 HD1 PHE 12 -7.142 7.865 4.466
98 HD2 PHE 12 HD2 PHE 12 -8.915 7.079 0.675
99 HE1 PHE 12 HE1 PHE 12 -6.272 5.567 4.535
100 HE2 PHE 12 HE2 PHE 12 -8.055 4.780 0.746
101 HZ PHE 12 HZ PHE 12 -6.721 4.014 2.675
102 H MET 13 H MET 13 -9.471 11.148 3.848
103 HA MET 13 HA MET 13 -11.121 13.126 2.456
104 1HB MET 13 1HB MET 13 -9.800 13.135 5.167
105 2HB MET 13 2HB MET 13 -10.596 14.544 4.484
106 1HG MET 13 1HG MET 13 -12.330 13.732 5.673
107 2HG MET 13 2HG MET 13 -12.579 12.803 4.197
108 1HE MET 13 1HE MET 13 -11.608 13.040 7.725
109 2HE MET 13 2HE MET 13 -10.108 12.134 7.534
110 3HE MET 13 3HE MET 13 -11.492 11.390 8.334
111 H ARG 14 H ARG 14 -7.750 12.534 3.380
112 HA ARG 14 HA ARG 14 -6.960 14.728 1.574
113 1HB ARG 14 1HB ARG 14 -5.879 14.101 4.316
114 2HB ARG 14 2HB ARG 14 -4.980 15.059 3.151
115 1HG ARG 14 1HG ARG 14 -6.078 16.873 3.769
116 2HG ARG 14 2HG ARG 14 -7.610 16.119 3.322
117 1HD ARG 14 1HD ARG 14 -6.731 15.010 5.793
118 2HD ARG 14 2HD ARG 14 -6.651 16.765 5.909
119 HE ARG 14 HE ARG 14 -9.010 15.145 5.773
120 1HH1 ARG 14 1HH1 ARG 14 -7.711 18.326 5.096
121 2HH1 ARG 14 2HH1 ARG 14 -9.253 19.108 5.183
122 1HH2 ARG 14 1HH2 ARG 14 -11.037 16.182 5.889
123 2HH2 ARG 14 2HH2 ARG 14 -11.140 17.893 5.635
124 H SER 15 H SER 15 -4.913 14.503 0.555
125 HA SER 15 HA SER 15 -4.351 11.975 -0.466
126 1HB SER 15 1HB SER 15 -2.335 14.220 -0.301
127 2HB SER 15 2HB SER 15 -2.443 12.954 -1.523
128 HG SER 15 HG SER 15 -3.358 14.741 -2.419
129 H ASP 16 H ASP 16 -2.924 13.677 2.284
130 HA ASP 16 HA ASP 16 -0.804 11.848 2.731
131 1HB ASP 16 1HB ASP 16 -0.936 12.841 5.135
132 2HB ASP 16 2HB ASP 16 -0.449 13.875 3.799
133 H HIS 17 H HIS 17 -4.164 11.934 3.788
134 HA HIS 17 HA HIS 17 -4.087 10.029 5.823
135 1HB HIS 17 1HB HIS 17 -6.247 10.709 3.823
136 2HB HIS 17 2HB HIS 17 -6.492 9.550 5.122
137 HD1 HIS 17 HD1 HIS 17 -8.405 11.524 5.600
138 HD2 HIS 17 HD2 HIS 17 -4.445 12.357 6.539
139 HE1 HIS 17 HE1 HIS 17 -8.486 13.450 7.215
140 HE2 HIS 17 HE2 HIS 17 -6.075 13.987 7.706
141 H LEU 18 H LEU 18 -3.872 9.660 2.364
142 HA LEU 18 HA LEU 18 -4.172 6.758 2.501
143 1HB LEU 18 1HB LEU 18 -3.581 8.537 0.149
144 2HB LEU 18 2HB LEU 18 -3.923 6.823 0.074
145 HG LEU 18 HG LEU 18 -6.188 7.412 1.106
146 1HD1 LEU 18 1HD1 LEU 18 -6.814 9.801 0.272
147 2HD1 LEU 18 2HD1 LEU 18 -5.089 10.106 0.463
148 3HD1 LEU 18 3HD1 LEU 18 -6.050 9.584 1.845
149 1HD2 LEU 18 1HD2 LEU 18 -6.568 6.780 -0.998
150 2HD2 LEU 18 2HD2 LEU 18 -5.172 7.667 -1.609
151 3HD2 LEU 18 3HD2 LEU 18 -6.700 8.504 -1.341
152 H SER 19 H SER 19 -1.806 9.165 1.384
153 HA SER 19 HA SER 19 0.277 7.684 0.587
154 1HB SER 19 1HB SER 19 0.425 10.098 0.644
155 2HB SER 19 2HB SER 19 0.418 10.104 2.408
156 HG SER 19 HG SER 19 2.525 10.267 1.854
157 H LYS 20 H LYS 20 -0.580 8.162 3.999
158 HA LYS 20 HA LYS 20 1.642 6.561 4.924
159 1HB LYS 20 1HB LYS 20 0.479 8.521 6.160
160 2HB LYS 20 2HB LYS 20 -0.741 7.330 6.591
161 1HG LYS 20 1HG LYS 20 1.460 5.990 7.326
162 2HG LYS 20 2HG LYS 20 2.028 7.646 7.554
163 1HD LYS 20 1HD LYS 20 -0.064 8.064 8.891
164 2HD LYS 20 2HD LYS 20 -0.370 6.327 8.816
165 1HE LYS 20 1HE LYS 20 0.739 6.483 10.819
166 2HE LYS 20 2HE LYS 20 2.082 6.163 9.722
167 1HZ LYS 20 1HZ LYS 20 2.577 7.968 11.258
168 2HZ LYS 20 2HZ LYS 20 1.252 8.849 10.685
169 3HZ LYS 20 3HZ LYS 20 2.559 8.524 9.660
170 H HIS 21 H HIS 21 -1.773 6.113 4.238
171 HA HIS 21 HA HIS 21 -1.910 3.505 5.455
172 1HB HIS 21 1HB HIS 21 -3.993 4.437 5.550
173 2HB HIS 21 2HB HIS 21 -3.784 5.328 4.051
174 HD1 HIS 21 HD1 HIS 21 -5.848 2.781 5.335
175 HD2 HIS 21 HD2 HIS 21 -3.737 3.235 1.797
176 HE1 HIS 21 HE1 HIS 21 -6.968 1.268 3.642
177 H ILE 22 H ILE 22 -1.378 4.755 2.183
178 HA ILE 22 HA ILE 22 -1.836 2.326 0.832
179 HB ILE 22 HB ILE 22 -0.204 3.356 -0.915
180 1HG1 ILE 22 1HG1 ILE 22 -0.881 6.028 -0.159
181 2HG1 ILE 22 2HG1 ILE 22 -0.012 5.253 1.161
182 1HG2 ILE 22 1HG2 ILE 22 -2.168 5.054 -1.458
183 2HG2 ILE 22 2HG2 ILE 22 -2.981 4.121 -0.202
184 3HG2 ILE 22 3HG2 ILE 22 -2.363 3.311 -1.642
185 1HD1 ILE 22 1HD1 ILE 22 1.845 4.763 -0.264
186 2HD1 ILE 22 2HD1 ILE 22 1.442 6.473 -0.426
187 3HD1 ILE 22 3HD1 ILE 22 0.959 5.330 -1.679
188 H THR 23 H THR 23 1.185 3.716 2.040
189 HA THR 23 HA THR 23 2.924 1.812 1.062
190 HB THR 23 HB THR 23 3.095 3.220 3.738
191 HG1 THR 23 HG1 THR 23 3.184 4.865 2.422
192 1HG2 THR 23 1HG2 THR 23 5.208 1.872 2.079
193 2HG2 THR 23 2HG2 THR 23 4.768 1.549 3.756
194 3HG2 THR 23 3HG2 THR 23 5.567 3.062 3.331
195 H LEU 24 H LEU 24 0.637 1.450 3.656
196 HA LEU 24 HA LEU 24 1.796 -1.156 4.381
197 1HB LEU 24 1HB LEU 24 0.214 -1.083 6.294
198 2HB LEU 24 2HB LEU 24 1.369 0.240 6.291
199 HG LEU 24 HG LEU 24 -0.688 1.316 4.905
200 1HD1 LEU 24 1HD1 LEU 24 -2.287 0.313 7.113
201 2HD1 LEU 24 2HD1 LEU 24 -1.854 -0.929 5.939
202 3HD1 LEU 24 3HD1 LEU 24 -2.700 0.529 5.409
203 1HD2 LEU 24 1HD2 LEU 24 -0.417 1.423 7.901
204 2HD2 LEU 24 2HD2 LEU 24 -1.105 2.659 6.847
205 3HD2 LEU 24 3HD2 LEU 24 0.620 2.298 6.775
206 H HIS 25 H HIS 25 -1.225 0.393 3.335
207 HA HIS 25 HA HIS 25 -2.730 -1.990 3.222
208 1HB HIS 25 1HB HIS 25 -4.398 -0.538 2.929
209 2HB HIS 25 2HB HIS 25 -3.250 0.772 2.790
210 HD1 HIS 25 HD1 HIS 25 -4.903 -1.798 0.508
211 HD2 HIS 25 HD2 HIS 25 -3.385 2.073 0.450
212 HE1 HIS 25 HE1 HIS 25 -5.465 -0.844 -1.762
213 H GLU 26 H GLU 26 -0.479 -0.476 1.011
214 HA GLU 26 HA GLU 26 -1.258 -1.960 -1.292
215 1HB GLU 26 1HB GLU 26 0.759 -1.206 -2.301
216 2HB GLU 26 2HB GLU 26 0.192 0.116 -1.294
217 1HG GLU 26 1HG GLU 26 2.206 0.192 -0.385
218 2HG GLU 26 2HG GLU 26 1.877 -1.373 0.352
219 H LEU 27 H LEU 27 0.472 -2.706 1.612
220 HA LEU 27 HA LEU 27 1.748 -5.072 0.477
221 1HB LEU 27 1HB LEU 27 1.758 -3.724 3.140
222 2HB LEU 27 2HB LEU 27 2.170 -5.427 3.073
223 1HD1 LEU 27 1HD1 LEU 27 3.868 -6.114 1.342
224 2HD1 LEU 27 2HD1 LEU 27 5.216 -5.016 1.047
225 3HD1 LEU 27 3HD1 LEU 27 3.725 -4.851 0.119
226 1HD2 LEU 27 1HD2 LEU 27 4.024 -2.684 0.637
227 2HD2 LEU 27 2HD2 LEU 27 4.355 -2.156 2.286
228 3HD2 LEU 27 3HD2 LEU 27 2.691 -2.255 1.710
229 H LEU 28 H LEU 28 -0.191 -4.810 3.456
230 HA LEU 28 HA LEU 28 -1.568 -7.290 2.683
231 1HB LEU 28 1HB LEU 28 -0.787 -6.093 5.299
232 2HB LEU 28 2HB LEU 28 -2.217 -7.106 5.244
233 HG LEU 28 HG LEU 28 -0.505 -8.741 3.983
234 1HD1 LEU 28 1HD1 LEU 28 1.351 -7.130 4.174
235 2HD1 LEU 28 2HD1 LEU 28 1.683 -8.654 4.995
236 3HD1 LEU 28 3HD1 LEU 28 1.229 -7.229 5.931
237 1HD2 LEU 28 1HD2 LEU 28 -1.866 -9.269 5.953
238 2HD2 LEU 28 2HD2 LEU 28 -0.696 -8.439 6.978
239 3HD2 LEU 28 3HD2 LEU 28 -0.224 -9.895 6.103
240 H GLY 29 H GLY 29 -3.807 -7.451 2.770
241 1HA GLY 29 1HA GLY 29 -5.229 -4.867 2.973
242 2HA GLY 29 2HA GLY 29 -5.691 -6.159 1.876
243 H GLU 30 H GLU 30 -5.200 -5.578 5.364
244 HA GLU 30 HA GLU 30 -7.585 -7.236 5.860
245 1HB GLU 30 1HB GLU 30 -5.458 -8.267 6.648
246 2HB GLU 30 2HB GLU 30 -5.217 -6.885 7.707
247 1HG GLU 30 1HG GLU 30 -6.167 -8.963 8.768
248 2HG GLU 30 2HG GLU 30 -7.047 -7.465 9.060
249 H GLU 31 H GLU 31 -8.678 -5.126 5.515
250 HA GLU 31 HA GLU 31 -8.518 -3.361 7.862
251 1HB GLU 31 1HB GLU 31 -9.587 -1.660 6.513
252 2HB GLU 31 2HB GLU 31 -8.205 -2.304 5.642
253 1HG GLU 31 1HG GLU 31 -9.470 -3.167 3.992
254 2HG GLU 31 2HG GLU 31 -10.794 -3.592 5.076
255 H ARG 32 H ARG 32 -10.929 -2.189 7.963
256 HA ARG 32 HA ARG 32 -12.556 -4.109 9.230
257 1HB ARG 32 1HB ARG 32 -12.573 -1.709 9.807
258 2HB ARG 32 2HB ARG 32 -13.317 -1.348 8.255
259 1HG ARG 32 1HG ARG 32 -15.326 -1.685 9.114
260 2HG ARG 32 2HG ARG 32 -14.882 -3.332 9.566
261 1HD ARG 32 1HD ARG 32 -15.497 -2.347 11.588
262 2HD ARG 32 2HD ARG 32 -13.736 -2.259 11.594
263 HE ARG 32 HE ARG 32 -14.579 0.119 10.507
264 1HH1 ARG 32 1HH1 ARG 32 -15.092 -1.565 13.533
265 2HH1 ARG 32 2HH1 ARG 32 -15.302 -0.111 14.448
266 1HH2 ARG 32 1HH2 ARG 32 -14.853 2.031 11.717
267 2HH2 ARG 32 2HH2 ARG 32 -15.167 1.931 13.418
268 H ARG 33 H ARG 33 -14.084 -5.437 8.490
269 HA ARG 33 HA ARG 33 -14.565 -5.673 5.687
270 1HB ARG 33 1HB ARG 33 -16.154 -7.481 6.360
271 2HB ARG 33 2HB ARG 33 -14.531 -7.678 7.002
272 1HG ARG 33 1HG ARG 33 -15.239 -7.597 9.113
273 2HG ARG 33 2HG ARG 33 -16.290 -6.216 8.804
274 1HD ARG 33 1HD ARG 33 -17.936 -7.763 7.778
275 2HD ARG 33 2HD ARG 33 -16.901 -9.115 8.234
276 HE ARG 33 HE ARG 33 -18.639 -7.595 9.952
277 1HH1 ARG 33 1HH1 ARG 33 -15.811 -9.663 9.851
278 2HH1 ARG 33 2HH1 ARG 33 -15.973 -10.166 11.500
279 1HH2 ARG 33 1HH2 ARG 33 -18.842 -8.263 12.120
280 2HH2 ARG 33 2HH2 ARG 33 -17.692 -9.373 12.788
Start of MODEL 11
1 H TYR 1 H TYR 1 -14.982 14.420 0.929
2 HA TYR 1 HA TYR 1 -12.422 13.002 1.179
3 1HB TYR 1 1HB TYR 1 -15.319 12.124 1.060
4 2HB TYR 1 2HB TYR 1 -13.942 11.032 1.139
5 HD1 TYR 1 HD1 TYR 1 -15.970 13.461 3.008
6 HD2 TYR 1 HD2 TYR 1 -12.748 10.690 3.213
7 HE1 TYR 1 HE1 TYR 1 -16.048 13.559 5.462
8 HE2 TYR 1 HE2 TYR 1 -12.817 10.781 5.668
9 HH TYR 1 HH TYR 1 -15.117 11.589 7.415
10 H LYS 2 H LYS 2 -11.402 13.278 -0.757
11 HA LYS 2 HA LYS 2 -12.695 12.135 -3.094
12 1HB LYS 2 1HB LYS 2 -13.032 14.744 -2.913
13 2HB LYS 2 2HB LYS 2 -11.381 14.787 -3.514
14 1HG LYS 2 1HG LYS 2 -11.978 13.732 -5.531
15 2HG LYS 2 2HG LYS 2 -13.553 13.245 -4.900
16 1HD LYS 2 1HD LYS 2 -14.214 15.613 -4.778
17 2HD LYS 2 2HD LYS 2 -12.652 16.072 -5.458
18 1HE LYS 2 1HE LYS 2 -13.974 16.070 -7.339
19 2HE LYS 2 2HE LYS 2 -13.330 14.430 -7.374
20 1HZ LYS 2 1HZ LYS 2 -15.712 14.467 -7.791
21 2HZ LYS 2 2HZ LYS 2 -15.988 15.215 -6.299
22 3HZ LYS 2 3HZ LYS 2 -15.371 13.641 -6.353
23 H PHE 3 H PHE 3 -10.786 10.835 -1.847
24 HA PHE 3 HA PHE 3 -8.604 10.850 -3.738
25 1HB PHE 3 1HB PHE 3 -8.136 12.451 -1.659
26 2HB PHE 3 2HB PHE 3 -7.703 10.927 -0.894
27 HD1 PHE 3 HD1 PHE 3 -6.816 13.361 -3.472
28 HD2 PHE 3 HD2 PHE 3 -5.763 9.683 -1.623
29 HE1 PHE 3 HE1 PHE 3 -4.588 13.480 -4.506
30 HE2 PHE 3 HE2 PHE 3 -3.533 9.786 -2.648
31 HZ PHE 3 HZ PHE 3 -2.942 11.692 -4.099
32 H ALA 4 H ALA 4 -8.412 8.780 -4.280
33 HA ALA 4 HA ALA 4 -8.761 6.742 -2.212
34 1HB ALA 4 1HB ALA 4 -9.464 6.527 -5.130
35 2HB ALA 4 2HB ALA 4 -10.604 6.694 -3.795
36 3HB ALA 4 3HB ALA 4 -9.622 5.237 -3.938
37 H CYS 5 H CYS 5 -7.347 5.016 -2.146
38 HA CYS 5 HA CYS 5 -4.714 5.469 -3.036
39 1HB CYS 5 1HB CYS 5 -5.859 2.811 -2.172
40 2HB CYS 5 2HB CYS 5 -4.183 3.335 -2.078
41 HG CYS 5 HG CYS 5 -6.025 3.585 0.135
42 HA PRO 6 HA PRO 6 -4.595 3.710 -7.081
43 1HB PRO 6 1HB PRO 6 -2.150 2.527 -7.126
44 2HB PRO 6 2HB PRO 6 -2.374 4.279 -7.186
45 1HG PRO 6 1HG PRO 6 -1.671 2.536 -4.856
46 2HG PRO 6 2HG PRO 6 -1.003 4.114 -5.316
47 1HD PRO 6 1HD PRO 6 -2.862 3.827 -3.370
48 2HD PRO 6 2HD PRO 6 -2.768 5.272 -4.396
49 H GLU 7 H GLU 7 -4.297 1.656 -4.300
50 HA GLU 7 HA GLU 7 -4.665 -0.749 -5.931
51 1HB GLU 7 1HB GLU 7 -2.874 -0.675 -4.164
52 2HB GLU 7 2HB GLU 7 -4.150 -0.606 -2.963
53 1HG GLU 7 1HG GLU 7 -5.018 -2.764 -4.006
54 2HG GLU 7 2HG GLU 7 -3.460 -2.848 -4.825
55 H CYS 8 H CYS 8 -6.111 0.853 -3.054
56 HA CYS 8 HA CYS 8 -8.535 -0.741 -3.533
57 1HB CYS 8 1HB CYS 8 -9.216 -0.279 -1.276
58 2HB CYS 8 2HB CYS 8 -7.598 -0.917 -1.269
59 HG CYS 8 HG CYS 8 -7.324 1.017 0.285
60 HA PRO 9 HA PRO 9 -10.964 2.734 -4.562
61 1HB PRO 9 1HB PRO 9 -13.391 1.815 -3.937
62 2HB PRO 9 2HB PRO 9 -12.411 1.031 -5.182
63 1HG PRO 9 1HG PRO 9 -12.906 0.198 -2.356
64 2HG PRO 9 2HG PRO 9 -12.773 -0.801 -3.814
65 1HD PRO 9 1HD PRO 9 -10.726 -0.356 -1.957
66 2HD PRO 9 2HD PRO 9 -10.507 -0.972 -3.599
67 H LYS 10 H LYS 10 -10.445 1.988 -1.312
68 HA LYS 10 HA LYS 10 -12.350 3.344 0.129
69 1HB LYS 10 1HB LYS 10 -9.453 2.776 0.575
70 2HB LYS 10 2HB LYS 10 -10.279 3.861 1.682
71 1HG LYS 10 1HG LYS 10 -11.314 1.115 1.043
72 2HG LYS 10 2HG LYS 10 -10.165 1.424 2.346
73 1HD LYS 10 1HD LYS 10 -11.896 1.895 3.664
74 2HD LYS 10 2HD LYS 10 -12.190 3.325 2.673
75 1HE LYS 10 1HE LYS 10 -14.227 2.318 2.490
76 2HE LYS 10 2HE LYS 10 -13.408 1.561 1.125
77 1HZ LYS 10 1HZ LYS 10 -12.918 -0.348 2.527
78 2HZ LYS 10 2HZ LYS 10 -14.584 -0.067 2.463
79 3HZ LYS 10 3HZ LYS 10 -13.705 0.381 3.836
80 H ARG 11 H ARG 11 -12.923 5.383 0.404
81 HA ARG 11 HA ARG 11 -11.300 7.475 -0.859
82 1HB ARG 11 1HB ARG 11 -13.367 8.873 -0.660
83 2HB ARG 11 2HB ARG 11 -13.550 7.452 -1.677
84 1HG ARG 11 1HG ARG 11 -14.726 6.293 0.092
85 2HG ARG 11 2HG ARG 11 -14.470 7.656 1.184
86 1HD ARG 11 1HD ARG 11 -16.652 7.952 0.413
87 2HD ARG 11 2HD ARG 11 -15.694 9.053 -0.577
88 HE ARG 11 HE ARG 11 -16.069 6.464 -1.768
89 1HH1 ARG 11 1HH1 ARG 11 -17.464 9.650 -1.364
90 2HH1 ARG 11 2HH1 ARG 11 -18.416 9.551 -2.807
91 1HH2 ARG 11 1HH2 ARG 11 -17.323 6.338 -3.667
92 2HH2 ARG 11 2HH2 ARG 11 -18.336 7.670 -4.114
93 H PHE 12 H PHE 12 -10.013 8.611 0.408
94 HA PHE 12 HA PHE 12 -10.592 8.798 3.273
95 1HB PHE 12 1HB PHE 12 -8.081 9.573 1.779
96 2HB PHE 12 2HB PHE 12 -8.275 9.538 3.521
97 HD1 PHE 12 HD1 PHE 12 -7.097 7.850 4.499
98 HD2 PHE 12 HD2 PHE 12 -8.961 7.103 0.743
99 HE1 PHE 12 HE1 PHE 12 -6.253 5.541 4.540
100 HE2 PHE 12 HE2 PHE 12 -8.126 4.792 0.785
101 HZ PHE 12 HZ PHE 12 -6.761 4.004 2.682
102 H MET 13 H MET 13 -9.507 11.042 4.127
103 HA MET 13 HA MET 13 -11.213 13.098 2.986
104 1HB MET 13 1HB MET 13 -10.812 12.521 5.520
105 2HB MET 13 2HB MET 13 -9.417 13.573 5.330
106 1HG MET 13 1HG MET 13 -11.044 15.296 4.408
107 2HG MET 13 2HG MET 13 -12.322 14.254 5.030
108 1HE MET 13 1HE MET 13 -12.316 14.390 8.619
109 2HE MET 13 2HE MET 13 -10.865 13.451 8.273
110 3HE MET 13 3HE MET 13 -12.287 13.285 7.246
111 H ARG 14 H ARG 14 -7.755 12.486 3.478
112 HA ARG 14 HA ARG 14 -7.172 14.636 1.560
113 1HB ARG 14 1HB ARG 14 -5.833 14.225 4.236
114 2HB ARG 14 2HB ARG 14 -5.145 15.211 2.955
115 1HG ARG 14 1HG ARG 14 -6.207 16.872 4.026
116 2HG ARG 14 2HG ARG 14 -7.602 16.298 3.109
117 1HD ARG 14 1HD ARG 14 -8.502 15.181 4.936
118 2HD ARG 14 2HD ARG 14 -6.960 15.124 5.786
119 HE ARG 14 HE ARG 14 -8.877 17.282 5.783
120 1HH1 ARG 14 1HH1 ARG 14 -5.553 16.373 6.416
121 2HH1 ARG 14 2HH1 ARG 14 -5.267 17.700 7.488
122 1HH2 ARG 14 1HH2 ARG 14 -8.492 19.025 7.199
123 2HH2 ARG 14 2HH2 ARG 14 -6.935 19.206 7.933
124 H SER 15 H SER 15 -5.093 14.447 0.509
125 HA SER 15 HA SER 15 -4.535 11.906 -0.475
126 1HB SER 15 1HB SER 15 -3.862 13.867 -1.711
127 2HB SER 15 2HB SER 15 -2.801 14.388 -0.404
128 HG SER 15 HG SER 15 -1.814 13.254 -2.268
129 H ASP 16 H ASP 16 -2.958 13.694 2.152
130 HA ASP 16 HA ASP 16 -0.863 11.875 2.613
131 1HB ASP 16 1HB ASP 16 -0.963 12.898 5.006
132 2HB ASP 16 2HB ASP 16 -0.509 13.917 3.646
133 H HIS 17 H HIS 17 -4.203 11.922 3.739
134 HA HIS 17 HA HIS 17 -4.047 10.041 5.795
135 1HB HIS 17 1HB HIS 17 -6.262 10.686 3.846
136 2HB HIS 17 2HB HIS 17 -6.461 9.495 5.123
137 HD1 HIS 17 HD1 HIS 17 -8.392 11.192 5.923
138 HD2 HIS 17 HD2 HIS 17 -4.483 12.537 6.322
139 HE1 HIS 17 HE1 HIS 17 -8.508 13.134 7.515
140 HE2 HIS 17 HE2 HIS 17 -6.145 13.995 7.661
141 H LEU 18 H LEU 18 -3.918 9.645 2.332
142 HA LEU 18 HA LEU 18 -4.169 6.743 2.488
143 1HB LEU 18 1HB LEU 18 -3.635 8.519 0.119
144 2HB LEU 18 2HB LEU 18 -3.958 6.801 0.057
145 HG LEU 18 HG LEU 18 -6.211 7.397 1.148
146 1HD1 LEU 18 1HD1 LEU 18 -6.875 9.745 0.214
147 2HD1 LEU 18 2HD1 LEU 18 -5.149 10.070 0.364
148 3HD1 LEU 18 3HD1 LEU 18 -6.083 9.604 1.783
149 1HD2 LEU 18 1HD2 LEU 18 -6.885 8.296 -1.282
150 2HD2 LEU 18 2HD2 LEU 18 -6.503 6.609 -0.943
151 3HD2 LEU 18 3HD2 LEU 18 -5.272 7.673 -1.625
152 H SER 19 H SER 19 -1.844 9.176 1.348
153 HA SER 19 HA SER 19 0.235 7.706 0.507
154 1HB SER 19 1HB SER 19 0.382 10.114 0.542
155 2HB SER 19 2HB SER 19 0.387 10.139 2.306
156 HG SER 19 HG SER 19 2.449 9.692 2.298
157 H LYS 20 H LYS 20 -0.586 8.148 3.928
158 HA LYS 20 HA LYS 20 1.684 6.569 4.800
159 1HB LYS 20 1HB LYS 20 0.372 8.537 6.031
160 2HB LYS 20 2HB LYS 20 -0.590 7.192 6.628
161 1HG LYS 20 1HG LYS 20 1.371 6.159 7.584
162 2HG LYS 20 2HG LYS 20 2.401 7.416 6.898
163 1HD LYS 20 1HD LYS 20 2.158 8.274 8.992
164 2HD LYS 20 2HD LYS 20 0.723 8.980 8.247
165 1HE LYS 20 1HE LYS 20 -0.709 7.563 9.341
166 2HE LYS 20 2HE LYS 20 0.494 6.284 9.487
167 1HZ LYS 20 1HZ LYS 20 1.607 7.557 11.199
168 2HZ LYS 20 2HZ LYS 20 -0.011 7.307 11.624
169 3HZ LYS 20 3HZ LYS 20 0.486 8.815 11.041
170 H HIS 21 H HIS 21 -1.739 6.129 4.188
171 HA HIS 21 HA HIS 21 -1.878 3.532 5.421
172 1HB HIS 21 1HB HIS 21 -3.956 4.477 5.514
173 2HB HIS 21 2HB HIS 21 -3.747 5.355 4.008
174 HD1 HIS 21 HD1 HIS 21 -5.820 2.833 5.324
175 HD2 HIS 21 HD2 HIS 21 -3.736 3.256 1.765
176 HE1 HIS 21 HE1 HIS 21 -6.964 1.320 3.649
177 H ILE 22 H ILE 22 -1.293 4.751 2.160
178 HA ILE 22 HA ILE 22 -1.773 2.320 0.815
179 HB ILE 22 HB ILE 22 -0.087 3.325 -0.913
180 1HG1 ILE 22 1HG1 ILE 22 -0.831 6.000 -0.205
181 2HG1 ILE 22 2HG1 ILE 22 0.035 5.254 1.133
182 1HG2 ILE 22 1HG2 ILE 22 -2.015 4.912 -1.638
183 2HG2 ILE 22 2HG2 ILE 22 -2.874 4.196 -0.275
184 3HG2 ILE 22 3HG2 ILE 22 -2.293 3.171 -1.586
185 1HD1 ILE 22 1HD1 ILE 22 1.047 5.316 -1.692
186 2HD1 ILE 22 2HD1 ILE 22 1.923 4.796 -0.252
187 3HD1 ILE 22 3HD1 ILE 22 1.482 6.491 -0.451
188 H THR 23 H THR 23 1.248 3.676 2.061
189 HA THR 23 HA THR 23 2.969 1.738 1.118
190 HB THR 23 HB THR 23 3.350 3.923 2.572
191 HG1 THR 23 HG1 THR 23 5.161 3.186 1.760
192 1HG2 THR 23 1HG2 THR 23 3.869 1.828 4.655
193 2HG2 THR 23 2HG2 THR 23 2.423 2.840 4.646
194 3HG2 THR 23 3HG2 THR 23 4.017 3.581 4.797
195 H LEU 24 H LEU 24 0.657 1.452 3.692
196 HA LEU 24 HA LEU 24 1.745 -1.166 4.460
197 1HB LEU 24 1HB LEU 24 0.149 -1.038 6.350
198 2HB LEU 24 2HB LEU 24 1.312 0.278 6.335
199 HG LEU 24 HG LEU 24 -0.713 1.359 4.916
200 1HD1 LEU 24 1HD1 LEU 24 -1.938 -0.862 5.816
201 2HD1 LEU 24 2HD1 LEU 24 -2.765 0.657 5.461
202 3HD1 LEU 24 3HD1 LEU 24 -2.306 0.266 7.122
203 1HD2 LEU 24 1HD2 LEU 24 -0.472 1.458 7.917
204 2HD2 LEU 24 2HD2 LEU 24 -1.186 2.686 6.871
205 3HD2 LEU 24 3HD2 LEU 24 0.545 2.359 6.792
206 H HIS 25 H HIS 25 -1.248 0.401 3.352
207 HA HIS 25 HA HIS 25 -2.751 -1.994 3.235
208 1HB HIS 25 1HB HIS 25 -4.425 -0.535 2.992
209 2HB HIS 25 2HB HIS 25 -3.281 0.778 2.832
210 HD1 HIS 25 HD1 HIS 25 -5.102 -1.736 0.643
211 HD2 HIS 25 HD2 HIS 25 -3.302 2.006 0.431
212 HE1 HIS 25 HE1 HIS 25 -5.643 -0.812 -1.644
213 H GLU 26 H GLU 26 -0.558 -0.402 1.020
214 HA GLU 26 HA GLU 26 -1.340 -1.908 -1.284
215 1HB GLU 26 1HB GLU 26 -0.083 0.264 -1.354
216 2HB GLU 26 2HB GLU 26 1.323 -0.586 -0.727
217 1HG GLU 26 1HG GLU 26 1.693 -0.488 -3.015
218 2HG GLU 26 2HG GLU 26 1.078 -2.118 -2.749
219 H LEU 27 H LEU 27 0.590 -2.490 1.524
220 HA LEU 27 HA LEU 27 1.824 -4.871 0.311
221 1HB LEU 27 1HB LEU 27 2.350 -3.367 2.867
222 2HB LEU 27 2HB LEU 27 3.064 -4.933 2.538
223 1HD1 LEU 27 1HD1 LEU 27 3.112 -2.401 -0.434
224 2HD1 LEU 27 2HD1 LEU 27 4.131 -1.373 0.572
225 3HD1 LEU 27 3HD1 LEU 27 2.474 -1.724 1.065
226 1HD2 LEU 27 1HD2 LEU 27 5.732 -2.455 1.786
227 2HD2 LEU 27 2HD2 LEU 27 5.351 -3.873 2.763
228 3HD2 LEU 27 3HD2 LEU 27 4.546 -2.338 3.088
229 H LEU 28 H LEU 28 0.584 -4.205 3.586
230 HA LEU 28 HA LEU 28 -0.693 -6.853 3.584
231 1HB LEU 28 1HB LEU 28 -0.605 -6.732 6.011
232 2HB LEU 28 2HB LEU 28 0.988 -6.491 5.322
233 HG LEU 28 HG LEU 28 -0.377 -3.962 5.751
234 1HD1 LEU 28 1HD1 LEU 28 -1.490 -5.051 7.570
235 2HD1 LEU 28 2HD1 LEU 28 -0.208 -4.034 8.227
236 3HD1 LEU 28 3HD1 LEU 28 0.019 -5.779 8.119
237 1HD2 LEU 28 1HD2 LEU 28 1.709 -3.378 6.797
238 2HD2 LEU 28 2HD2 LEU 28 2.043 -4.297 5.330
239 3HD2 LEU 28 3HD2 LEU 28 2.175 -5.075 6.907
240 H GLY 29 H GLY 29 -2.516 -6.603 5.599
241 1HA GLY 29 1HA GLY 29 -4.260 -4.349 4.868
242 2HA GLY 29 2HA GLY 29 -4.877 -5.988 4.720
243 H GLU 30 H GLU 30 -3.720 -3.549 6.990
244 HA GLU 30 HA GLU 30 -5.362 -4.805 9.072
245 1HB GLU 30 1HB GLU 30 -2.460 -4.028 9.312
246 2HB GLU 30 2HB GLU 30 -3.502 -4.173 10.721
247 1HG GLU 30 1HG GLU 30 -4.006 -6.525 9.946
248 2HG GLU 30 2HG GLU 30 -2.687 -6.324 8.793
249 H GLU 31 H GLU 31 -6.330 -2.738 7.689
250 HA GLU 31 HA GLU 31 -5.806 -0.332 9.294
251 1HB GLU 31 1HB GLU 31 -6.986 -0.721 6.551
252 2HB GLU 31 2HB GLU 31 -7.164 0.792 7.430
253 1HG GLU 31 1HG GLU 31 -4.504 -0.474 6.833
254 2HG GLU 31 2HG GLU 31 -5.280 0.711 5.784
255 H ARG 32 H ARG 32 -7.389 0.658 10.457
256 HA ARG 32 HA ARG 32 -9.879 -0.852 10.792
257 1HB ARG 32 1HB ARG 32 -10.132 0.375 12.903
258 2HB ARG 32 2HB ARG 32 -8.586 -0.458 12.825
259 1HG ARG 32 1HG ARG 32 -7.434 1.595 12.367
260 2HG ARG 32 2HG ARG 32 -8.960 2.469 12.221
261 1HD ARG 32 1HD ARG 32 -8.028 1.081 14.730
262 2HD ARG 32 2HD ARG 32 -7.789 2.797 14.401
263 HE ARG 32 HE ARG 32 -10.224 1.506 15.220
264 1HH1 ARG 32 1HH1 ARG 32 -8.882 4.306 13.600
265 2HH1 ARG 32 2HH1 ARG 32 -10.268 5.297 13.903
266 1HH2 ARG 32 1HH2 ARG 32 -12.044 2.818 15.619
267 2HH2 ARG 32 2HH2 ARG 32 -12.062 4.454 15.051
268 H ARG 33 H ARG 33 -11.871 0.005 10.432
269 HA ARG 33 HA ARG 33 -12.202 2.836 9.909
270 1HB ARG 33 1HB ARG 33 -11.444 1.900 7.734
271 2HB ARG 33 2HB ARG 33 -12.829 0.817 7.745
272 1HG ARG 33 1HG ARG 33 -14.246 2.417 7.073
273 2HG ARG 33 2HG ARG 33 -13.501 3.648 8.095
274 1HD ARG 33 1HD ARG 33 -11.927 4.209 6.498
275 2HD ARG 33 2HD ARG 33 -12.048 2.652 5.682
276 HE ARG 33 HE ARG 33 -14.486 3.724 5.265
277 1HH1 ARG 33 1HH1 ARG 33 -11.255 4.991 4.780
278 2HH1 ARG 33 2HH1 ARG 33 -11.717 5.990 3.444
279 1HH2 ARG 33 1HH2 ARG 33 -15.083 5.038 3.500
280 2HH2 ARG 33 2HH2 ARG 33 -13.887 6.017 2.717
Start of MODEL 12
1 H TYR 1 H TYR 1 -14.020 14.415 1.213
2 HA TYR 1 HA TYR 1 -12.874 11.713 1.453
3 1HB TYR 1 1HB TYR 1 -15.640 12.868 1.663
4 2HB TYR 1 2HB TYR 1 -15.421 11.218 1.092
5 HD1 TYR 1 HD1 TYR 1 -14.769 9.460 2.599
6 HD2 TYR 1 HD2 TYR 1 -15.032 13.479 3.966
7 HE1 TYR 1 HE1 TYR 1 -14.637 8.671 4.923
8 HE2 TYR 1 HE2 TYR 1 -14.899 12.703 6.293
9 HH TYR 1 HH TYR 1 -13.764 10.117 7.310
10 H LYS 2 H LYS 2 -11.690 12.612 -0.539
11 HA LYS 2 HA LYS 2 -13.131 11.693 -2.874
12 1HB LYS 2 1HB LYS 2 -12.876 14.495 -2.315
13 2HB LYS 2 2HB LYS 2 -11.936 14.111 -3.749
14 1HG LYS 2 1HG LYS 2 -14.810 13.302 -3.395
15 2HG LYS 2 2HG LYS 2 -14.307 14.809 -4.160
16 1HD LYS 2 1HD LYS 2 -12.966 12.413 -5.198
17 2HD LYS 2 2HD LYS 2 -14.709 12.449 -5.467
18 1HE LYS 2 1HE LYS 2 -13.925 13.527 -7.348
19 2HE LYS 2 2HE LYS 2 -14.261 14.884 -6.273
20 1HZ LYS 2 1HZ LYS 2 -11.585 13.636 -6.581
21 2HZ LYS 2 2HZ LYS 2 -11.956 15.053 -5.736
22 3HZ LYS 2 3HZ LYS 2 -12.088 15.016 -7.422
23 H PHE 3 H PHE 3 -10.876 10.678 -1.451
24 HA PHE 3 HA PHE 3 -8.942 10.664 -3.639
25 1HB PHE 3 1HB PHE 3 -8.326 12.306 -1.674
26 2HB PHE 3 2HB PHE 3 -7.862 10.824 -0.848
27 HD1 PHE 3 HD1 PHE 3 -7.297 12.703 -4.011
28 HD2 PHE 3 HD2 PHE 3 -5.751 9.933 -1.182
29 HE1 PHE 3 HE1 PHE 3 -5.120 12.748 -5.156
30 HE2 PHE 3 HE2 PHE 3 -3.573 9.963 -2.317
31 HZ PHE 3 HZ PHE 3 -3.255 11.378 -4.311
32 H ALA 4 H ALA 4 -8.681 8.616 -4.201
33 HA ALA 4 HA ALA 4 -8.871 6.548 -2.143
34 1HB ALA 4 1HB ALA 4 -9.557 6.330 -5.066
35 2HB ALA 4 2HB ALA 4 -10.707 6.422 -3.732
36 3HB ALA 4 3HB ALA 4 -9.649 5.020 -3.890
37 H CYS 5 H CYS 5 -7.353 4.923 -2.071
38 HA CYS 5 HA CYS 5 -4.751 5.510 -2.950
39 1HB CYS 5 1HB CYS 5 -5.735 2.763 -2.184
40 2HB CYS 5 2HB CYS 5 -4.111 3.415 -2.007
41 HG CYS 5 HG CYS 5 -4.945 4.848 -0.021
42 HA PRO 6 HA PRO 6 -4.443 3.924 -7.059
43 1HB PRO 6 1HB PRO 6 -1.949 2.536 -6.276
44 2HB PRO 6 2HB PRO 6 -2.203 3.785 -7.498
45 1HG PRO 6 1HG PRO 6 -0.951 4.333 -5.200
46 2HG PRO 6 2HG PRO 6 -2.039 5.509 -5.962
47 1HD PRO 6 1HD PRO 6 -2.539 3.698 -3.630
48 2HD PRO 6 2HD PRO 6 -3.022 5.391 -3.868
49 H GLU 7 H GLU 7 -4.173 1.757 -4.328
50 HA GLU 7 HA GLU 7 -4.627 -0.591 -6.002
51 1HB GLU 7 1HB GLU 7 -2.918 -0.521 -4.108
52 2HB GLU 7 2HB GLU 7 -4.288 -0.559 -3.012
53 1HG GLU 7 1HG GLU 7 -4.845 -2.647 -4.675
54 2HG GLU 7 2HG GLU 7 -3.085 -2.698 -4.593
55 H CYS 8 H CYS 8 -6.100 0.866 -3.048
56 HA CYS 8 HA CYS 8 -8.563 -0.581 -3.725
57 1HB CYS 8 1HB CYS 8 -9.304 -0.234 -1.461
58 2HB CYS 8 2HB CYS 8 -7.724 -0.962 -1.462
59 HG CYS 8 HG CYS 8 -6.982 1.717 -1.014
60 HA PRO 9 HA PRO 9 -10.852 3.029 -4.603
61 1HB PRO 9 1HB PRO 9 -13.321 2.102 -4.215
62 2HB PRO 9 2HB PRO 9 -12.272 1.403 -5.453
63 1HG PRO 9 1HG PRO 9 -12.958 0.356 -2.739
64 2HG PRO 9 2HG PRO 9 -12.750 -0.527 -4.262
65 1HD PRO 9 1HD PRO 9 -10.814 -0.268 -2.252
66 2HD PRO 9 2HD PRO 9 -10.505 -0.760 -3.923
67 H LYS 10 H LYS 10 -10.400 2.129 -1.428
68 HA LYS 10 HA LYS 10 -12.458 3.390 -0.024
69 1HB LYS 10 1HB LYS 10 -10.104 2.029 0.616
70 2HB LYS 10 2HB LYS 10 -9.904 3.623 1.330
71 1HG LYS 10 1HG LYS 10 -12.517 2.342 1.782
72 2HG LYS 10 2HG LYS 10 -11.132 1.565 2.551
73 1HD LYS 10 1HD LYS 10 -10.941 3.194 4.070
74 2HD LYS 10 2HD LYS 10 -11.083 4.457 2.846
75 1HE LYS 10 1HE LYS 10 -13.477 2.914 3.798
76 2HE LYS 10 2HE LYS 10 -12.885 4.325 4.673
77 1HZ LYS 10 1HZ LYS 10 -13.829 4.247 1.860
78 2HZ LYS 10 2HZ LYS 10 -13.114 5.599 2.582
79 3HZ LYS 10 3HZ LYS 10 -14.587 5.009 3.165
80 H ARG 11 H ARG 11 -13.009 5.437 0.179
81 HA ARG 11 HA ARG 11 -11.147 7.532 -0.647
82 1HB ARG 11 1HB ARG 11 -13.189 9.015 -0.474
83 2HB ARG 11 2HB ARG 11 -13.267 7.761 -1.701
84 1HG ARG 11 1HG ARG 11 -15.021 6.762 -0.739
85 2HG ARG 11 2HG ARG 11 -14.366 6.954 0.888
86 1HD ARG 11 1HD ARG 11 -16.348 8.242 0.815
87 2HD ARG 11 2HD ARG 11 -15.010 9.387 0.731
88 HE ARG 11 HE ARG 11 -15.698 8.826 -1.882
89 1HH1 ARG 11 1HH1 ARG 11 -17.291 10.197 0.920
90 2HH1 ARG 11 2HH1 ARG 11 -18.340 11.206 -0.018
91 1HH2 ARG 11 1HH2 ARG 11 -17.081 10.159 -3.110
92 2HH2 ARG 11 2HH2 ARG 11 -18.221 11.184 -2.306
93 H PHE 12 H PHE 12 -9.976 8.523 0.841
94 HA PHE 12 HA PHE 12 -10.749 8.343 3.644
95 1HB PHE 12 1HB PHE 12 -8.208 9.407 2.385
96 2HB PHE 12 2HB PHE 12 -8.486 9.224 4.110
97 HD1 PHE 12 HD1 PHE 12 -7.275 7.506 5.001
98 HD2 PHE 12 HD2 PHE 12 -8.944 7.009 1.118
99 HE1 PHE 12 HE1 PHE 12 -6.351 5.230 4.894
100 HE2 PHE 12 HE2 PHE 12 -8.026 4.735 1.009
101 HZ PHE 12 HZ PHE 12 -6.726 3.835 2.897
102 H MET 13 H MET 13 -8.848 11.085 2.713
103 HA MET 13 HA MET 13 -11.020 12.948 2.528
104 1HB MET 13 1HB MET 13 -9.861 12.352 5.118
105 2HB MET 13 2HB MET 13 -9.602 14.036 4.688
106 1HG MET 13 1HG MET 13 -11.928 14.431 4.476
107 2HG MET 13 2HG MET 13 -12.294 12.710 4.568
108 1HE MET 13 1HE MET 13 -10.512 11.808 7.512
109 2HE MET 13 2HE MET 13 -11.762 11.270 6.388
110 3HE MET 13 3HE MET 13 -12.189 11.690 8.047
111 H ARG 14 H ARG 14 -7.582 12.603 3.359
112 HA ARG 14 HA ARG 14 -6.947 14.700 1.384
113 1HB ARG 14 1HB ARG 14 -5.575 14.176 4.030
114 2HB ARG 14 2HB ARG 14 -5.022 15.325 2.821
115 1HG ARG 14 1HG ARG 14 -6.576 16.863 3.373
116 2HG ARG 14 2HG ARG 14 -7.806 15.651 3.736
117 1HD ARG 14 1HD ARG 14 -7.425 16.151 5.882
118 2HD ARG 14 2HD ARG 14 -5.944 15.214 5.699
119 HE ARG 14 HE ARG 14 -4.722 17.165 5.723
120 1HH1 ARG 14 1HH1 ARG 14 -8.130 17.939 5.486
121 2HH1 ARG 14 2HH1 ARG 14 -7.894 19.624 5.802
122 1HH2 ARG 14 1HH2 ARG 14 -4.420 19.386 6.140
123 2HH2 ARG 14 2HH2 ARG 14 -5.789 20.446 6.172
124 H SER 15 H SER 15 -4.834 14.486 0.373
125 HA SER 15 HA SER 15 -4.308 11.928 -0.595
126 1HB SER 15 1HB SER 15 -2.520 14.366 -0.509
127 2HB SER 15 2HB SER 15 -2.152 12.907 -1.428
128 HG SER 15 HG SER 15 -4.083 14.867 -1.884
129 H ASP 16 H ASP 16 -2.810 13.681 2.094
130 HA ASP 16 HA ASP 16 -0.748 11.809 2.592
131 1HB ASP 16 1HB ASP 16 -0.717 12.887 4.905
132 2HB ASP 16 2HB ASP 16 -0.426 13.945 3.531
133 H HIS 17 H HIS 17 -4.102 12.006 3.663
134 HA HIS 17 HA HIS 17 -4.072 10.183 5.770
135 1HB HIS 17 1HB HIS 17 -6.177 10.900 3.741
136 2HB HIS 17 2HB HIS 17 -6.477 9.657 4.947
137 HD1 HIS 17 HD1 HIS 17 -8.381 11.243 5.855
138 HD2 HIS 17 HD2 HIS 17 -4.514 12.704 6.257
139 HE1 HIS 17 HE1 HIS 17 -8.547 13.138 7.499
140 HE2 HIS 17 HE2 HIS 17 -6.186 13.978 7.762
141 H LEU 18 H LEU 18 -4.051 9.660 2.299
142 HA LEU 18 HA LEU 18 -4.288 6.770 2.573
143 1HB LEU 18 1HB LEU 18 -3.831 8.481 0.144
144 2HB LEU 18 2HB LEU 18 -4.112 6.758 0.123
145 HG LEU 18 HG LEU 18 -6.369 7.216 1.133
146 1HD1 LEU 18 1HD1 LEU 18 -7.168 9.600 0.568
147 2HD1 LEU 18 2HD1 LEU 18 -5.456 10.024 0.629
148 3HD1 LEU 18 3HD1 LEU 18 -6.250 9.351 2.053
149 1HD2 LEU 18 1HD2 LEU 18 -5.386 7.649 -1.545
150 2HD2 LEU 18 2HD2 LEU 18 -6.880 8.533 -1.242
151 3HD2 LEU 18 3HD2 LEU 18 -6.826 6.788 -0.997
152 H SER 19 H SER 19 -1.966 9.180 1.405
153 HA SER 19 HA SER 19 0.102 7.702 0.516
154 1HB SER 19 1HB SER 19 0.176 10.144 0.600
155 2HB SER 19 2HB SER 19 0.339 10.099 2.355
156 HG SER 19 HG SER 19 2.393 10.196 1.788
157 H LYS 20 H LYS 20 -0.735 8.124 3.924
158 HA LYS 20 HA LYS 20 1.552 6.592 4.824
159 1HB LYS 20 1HB LYS 20 -0.836 7.762 6.258
160 2HB LYS 20 2HB LYS 20 0.393 6.802 7.071
161 1HG LYS 20 1HG LYS 20 2.074 8.414 6.628
162 2HG LYS 20 2HG LYS 20 1.025 9.295 5.515
163 1HD LYS 20 1HD LYS 20 -0.272 10.170 7.231
164 2HD LYS 20 2HD LYS 20 0.224 8.922 8.376
165 1HE LYS 20 1HE LYS 20 2.252 10.820 7.276
166 2HE LYS 20 2HE LYS 20 1.181 11.345 8.572
167 1HZ LYS 20 1HZ LYS 20 2.992 8.991 8.663
168 2HZ LYS 20 2HZ LYS 20 1.949 9.471 9.905
169 3HZ LYS 20 3HZ LYS 20 3.240 10.465 9.454
170 H HIS 21 H HIS 21 -1.867 6.077 4.188
171 HA HIS 21 HA HIS 21 -1.940 3.469 5.401
172 1HB HIS 21 1HB HIS 21 -4.037 4.385 5.486
173 2HB HIS 21 2HB HIS 21 -3.855 5.222 3.951
174 HD1 HIS 21 HD1 HIS 21 -5.692 2.514 5.400
175 HD2 HIS 21 HD2 HIS 21 -3.914 3.219 1.721
176 HE1 HIS 21 HE1 HIS 21 -6.834 0.966 3.753
177 H ILE 22 H ILE 22 -1.332 4.717 2.161
178 HA ILE 22 HA ILE 22 -1.742 2.281 0.794
179 HB ILE 22 HB ILE 22 -0.024 3.325 -0.887
180 1HG1 ILE 22 1HG1 ILE 22 -0.876 5.976 -0.201
181 2HG1 ILE 22 2HG1 ILE 22 -0.018 5.254 1.156
182 1HG2 ILE 22 1HG2 ILE 22 -2.849 4.164 -0.349
183 2HG2 ILE 22 2HG2 ILE 22 -2.225 3.081 -1.593
184 3HG2 ILE 22 3HG2 ILE 22 -1.953 4.818 -1.719
185 1HD1 ILE 22 1HD1 ILE 22 1.084 5.277 -1.631
186 2HD1 ILE 22 2HD1 ILE 22 1.933 4.919 -0.127
187 3HD1 ILE 22 3HD1 ILE 22 1.385 6.562 -0.461
188 H THR 23 H THR 23 1.206 3.694 2.133
189 HA THR 23 HA THR 23 2.974 1.759 1.221
190 HB THR 23 HB THR 23 3.138 3.236 3.859
191 HG1 THR 23 HG1 THR 23 4.044 3.990 1.277
192 1HG2 THR 23 1HG2 THR 23 5.636 3.157 3.242
193 2HG2 THR 23 2HG2 THR 23 5.179 1.793 2.222
194 3HG2 THR 23 3HG2 THR 23 4.889 1.730 3.960
195 H LEU 24 H LEU 24 0.572 1.452 3.679
196 HA LEU 24 HA LEU 24 1.757 -1.081 4.601
197 1HB LEU 24 1HB LEU 24 0.084 -0.950 6.438
198 2HB LEU 24 2HB LEU 24 1.230 0.381 6.429
199 HG LEU 24 HG LEU 24 -0.753 1.417 4.929
200 1HD1 LEU 24 1HD1 LEU 24 -2.475 0.413 7.049
201 2HD1 LEU 24 2HD1 LEU 24 -1.968 -0.828 5.903
202 3HD1 LEU 24 3HD1 LEU 24 -2.793 0.622 5.325
203 1HD2 LEU 24 1HD2 LEU 24 -1.338 2.746 6.861
204 2HD2 LEU 24 2HD2 LEU 24 0.403 2.464 6.836
205 3HD2 LEU 24 3HD2 LEU 24 -0.623 1.544 7.936
206 H HIS 25 H HIS 25 -1.221 0.361 3.330
207 HA HIS 25 HA HIS 25 -2.636 -2.102 3.229
208 1HB HIS 25 1HB HIS 25 -4.367 -0.711 3.010
209 2HB HIS 25 2HB HIS 25 -3.274 0.645 2.873
210 HD1 HIS 25 HD1 HIS 25 -5.129 -1.828 0.683
211 HD2 HIS 25 HD2 HIS 25 -3.245 1.872 0.451
212 HE1 HIS 25 HE1 HIS 25 -5.705 -0.872 -1.586
213 H GLU 26 H GLU 26 -0.525 -0.387 1.023
214 HA GLU 26 HA GLU 26 -1.241 -1.996 -1.254
215 1HB GLU 26 1HB GLU 26 -0.300 0.269 -1.527
216 2HB GLU 26 2HB GLU 26 1.195 -0.265 -0.774
217 1HG GLU 26 1HG GLU 26 1.518 -0.197 -3.132
218 2HG GLU 26 2HG GLU 26 1.490 -1.885 -2.625
219 H LEU 27 H LEU 27 0.715 -2.376 1.546
220 HA LEU 27 HA LEU 27 2.310 -4.502 0.295
221 1HB LEU 27 1HB LEU 27 2.494 -3.079 2.941
222 2HB LEU 27 2HB LEU 27 3.420 -4.528 2.600
223 1HD1 LEU 27 1HD1 LEU 27 4.417 -3.988 -0.244
224 2HD1 LEU 27 2HD1 LEU 27 5.278 -4.535 1.194
225 3HD1 LEU 27 3HD1 LEU 27 5.821 -3.094 0.336
226 1HD2 LEU 27 1HD2 LEU 27 3.254 -2.009 -0.315
227 2HD2 LEU 27 2HD2 LEU 27 4.136 -0.840 0.668
228 3HD2 LEU 27 3HD2 LEU 27 2.518 -1.357 1.149
229 H LEU 28 H LEU 28 0.542 -4.130 3.388
230 HA LEU 28 HA LEU 28 -0.094 -6.998 3.268
231 1HB LEU 28 1HB LEU 28 0.064 -5.055 5.564
232 2HB LEU 28 2HB LEU 28 -0.669 -6.640 5.726
233 HG LEU 28 HG LEU 28 2.127 -6.412 4.684
234 1HD1 LEU 28 1HD1 LEU 28 2.980 -6.570 6.970
235 2HD1 LEU 28 2HD1 LEU 28 1.343 -6.363 7.595
236 3HD1 LEU 28 3HD1 LEU 28 2.118 -5.054 6.703
237 1HD2 LEU 28 1HD2 LEU 28 0.723 -8.489 6.361
238 2HD2 LEU 28 2HD2 LEU 28 2.346 -8.610 5.682
239 3HD2 LEU 28 3HD2 LEU 28 0.945 -8.567 4.613
240 H GLY 29 H GLY 29 -1.665 -4.051 4.577
241 1HA GLY 29 1HA GLY 29 -3.799 -3.324 3.627
242 2HA GLY 29 2HA GLY 29 -4.196 -5.019 3.393
243 H GLU 30 H GLU 30 -4.336 -2.345 5.512
244 HA GLU 30 HA GLU 30 -5.916 -3.901 7.396
245 1HB GLU 30 1HB GLU 30 -4.681 -2.814 9.337
246 2HB GLU 30 2HB GLU 30 -3.845 -4.115 8.504
247 1HG GLU 30 1HG GLU 30 -2.125 -2.797 8.082
248 2HG GLU 30 2HG GLU 30 -3.169 -1.633 7.268
249 H GLU 31 H GLU 31 -7.754 -2.834 7.654
250 HA GLU 31 HA GLU 31 -7.761 0.090 7.356
251 1HB GLU 31 1HB GLU 31 -9.240 -1.587 5.951
252 2HB GLU 31 2HB GLU 31 -10.274 -1.529 7.370
253 1HG GLU 31 1HG GLU 31 -11.121 0.088 5.903
254 2HG GLU 31 2HG GLU 31 -10.239 0.986 7.138
255 H ARG 32 H ARG 32 -9.379 -2.453 9.284
256 HA ARG 32 HA ARG 32 -9.958 -0.491 11.370
257 1HB ARG 32 1HB ARG 32 -10.954 -3.224 10.705
258 2HB ARG 32 2HB ARG 32 -11.053 -2.690 12.376
259 1HG ARG 32 1HG ARG 32 -12.088 -0.899 10.237
260 2HG ARG 32 2HG ARG 32 -13.038 -2.307 10.714
261 1HD ARG 32 1HD ARG 32 -13.086 -1.553 13.005
262 2HD ARG 32 2HD ARG 32 -12.005 -0.214 12.623
263 HE ARG 32 HE ARG 32 -14.199 0.082 10.976
264 1HH1 ARG 32 1HH1 ARG 32 -13.609 0.009 14.426
265 2HH1 ARG 32 2HH1 ARG 32 -14.940 1.052 14.800
266 1HH2 ARG 32 1HH2 ARG 32 -15.951 1.454 11.473
267 2HH2 ARG 32 2HH2 ARG 32 -16.270 1.872 13.123
268 H ARG 33 H ARG 33 -9.644 -1.200 13.671
269 HA ARG 33 HA ARG 33 -6.897 -1.841 14.099
270 1HB ARG 33 1HB ARG 33 -8.270 -0.274 15.513
271 2HB ARG 33 2HB ARG 33 -9.088 -1.682 16.174
272 1HG ARG 33 1HG ARG 33 -6.965 -2.513 17.048
273 2HG ARG 33 2HG ARG 33 -6.139 -1.107 16.376
274 1HD ARG 33 1HD ARG 33 -7.129 0.354 17.887
275 2HD ARG 33 2HD ARG 33 -8.448 -0.757 18.248
276 HE ARG 33 HE ARG 33 -5.829 -0.701 19.459
277 1HH1 ARG 33 1HH1 ARG 33 -8.692 -2.633 18.869
278 2HH1 ARG 33 2HH1 ARG 33 -8.404 -3.686 20.212
279 1HH2 ARG 33 1HH2 ARG 33 -5.457 -2.093 21.224
280 2HH2 ARG 33 2HH2 ARG 33 -6.570 -3.381 21.550
Start of MODEL 13
1 H TYR 1 H TYR 1 -13.278 15.039 0.087
2 HA TYR 1 HA TYR 1 -12.550 12.902 0.877
3 1HB TYR 1 1HB TYR 1 -15.454 12.703 1.416
4 2HB TYR 1 2HB TYR 1 -14.716 11.256 0.742
5 HD1 TYR 1 HD1 TYR 1 -13.646 9.747 2.153
6 HD2 TYR 1 HD2 TYR 1 -14.285 13.733 3.500
7 HE1 TYR 1 HE1 TYR 1 -12.836 9.117 4.387
8 HE2 TYR 1 HE2 TYR 1 -13.477 13.112 5.735
9 HH TYR 1 HH TYR 1 -13.400 10.488 7.006
10 H LYS 2 H LYS 2 -11.656 13.203 -1.203
11 HA LYS 2 HA LYS 2 -12.985 11.654 -3.274
12 1HB LYS 2 1HB LYS 2 -12.947 14.519 -3.306
13 2HB LYS 2 2HB LYS 2 -11.953 13.927 -4.627
14 1HG LYS 2 1HG LYS 2 -14.598 12.652 -4.274
15 2HG LYS 2 2HG LYS 2 -14.577 14.320 -4.846
16 1HD LYS 2 1HD LYS 2 -14.532 13.048 -6.807
17 2HD LYS 2 2HD LYS 2 -12.847 13.508 -6.560
18 1HE LYS 2 1HE LYS 2 -12.862 11.206 -7.151
19 2HE LYS 2 2HE LYS 2 -12.510 11.292 -5.426
20 1HZ LYS 2 1HZ LYS 2 -14.687 10.609 -4.896
21 2HZ LYS 2 2HZ LYS 2 -14.177 9.570 -6.130
22 3HZ LYS 2 3HZ LYS 2 -15.244 10.835 -6.478
23 H PHE 3 H PHE 3 -10.837 10.828 -1.853
24 HA PHE 3 HA PHE 3 -8.752 10.759 -3.897
25 1HB PHE 3 1HB PHE 3 -8.314 12.506 -1.979
26 2HB PHE 3 2HB PHE 3 -7.892 11.076 -1.045
27 HD1 PHE 3 HD1 PHE 3 -6.862 13.361 -3.659
28 HD2 PHE 3 HD2 PHE 3 -5.997 9.669 -1.745
29 HE1 PHE 3 HE1 PHE 3 -4.594 13.399 -4.615
30 HE2 PHE 3 HE2 PHE 3 -3.727 9.690 -2.692
31 HZ PHE 3 HZ PHE 3 -3.024 11.562 -4.134
32 H ALA 4 H ALA 4 -8.784 8.651 -4.380
33 HA ALA 4 HA ALA 4 -8.908 6.705 -2.207
34 1HB ALA 4 1HB ALA 4 -10.729 6.518 -3.811
35 2HB ALA 4 2HB ALA 4 -9.693 5.092 -3.865
36 3HB ALA 4 3HB ALA 4 -9.563 6.323 -5.120
37 H CYS 5 H CYS 5 -7.502 4.920 -2.170
38 HA CYS 5 HA CYS 5 -4.840 5.448 -2.931
39 1HB CYS 5 1HB CYS 5 -6.027 2.768 -2.185
40 2HB CYS 5 2HB CYS 5 -4.333 3.232 -2.091
41 HG CYS 5 HG CYS 5 -6.033 3.413 0.181
42 HA PRO 6 HA PRO 6 -4.490 3.936 -7.064
43 1HB PRO 6 1HB PRO 6 -1.987 2.568 -6.307
44 2HB PRO 6 2HB PRO 6 -2.247 3.869 -7.472
45 1HG PRO 6 1HG PRO 6 -1.020 4.306 -5.127
46 2HG PRO 6 2HG PRO 6 -2.082 5.520 -5.866
47 1HD PRO 6 1HD PRO 6 -2.637 3.633 -3.611
48 2HD PRO 6 2HD PRO 6 -3.112 5.334 -3.802
49 H GLU 7 H GLU 7 -4.218 1.724 -4.366
50 HA GLU 7 HA GLU 7 -4.657 -0.585 -6.106
51 1HB GLU 7 1HB GLU 7 -2.915 -0.448 -4.165
52 2HB GLU 7 2HB GLU 7 -4.302 -0.771 -3.138
53 1HG GLU 7 1HG GLU 7 -3.546 -2.521 -5.458
54 2HG GLU 7 2HG GLU 7 -2.932 -2.765 -3.825
55 H CYS 8 H CYS 8 -6.051 0.741 -3.055
56 HA CYS 8 HA CYS 8 -8.501 -0.754 -3.657
57 1HB CYS 8 1HB CYS 8 -9.161 -0.477 -1.385
58 2HB CYS 8 2HB CYS 8 -7.514 -1.030 -1.406
59 HG CYS 8 HG CYS 8 -7.367 0.821 0.269
60 HA PRO 9 HA PRO 9 -10.955 2.748 -4.484
61 1HB PRO 9 1HB PRO 9 -13.369 1.818 -3.816
62 2HB PRO 9 2HB PRO 9 -12.429 1.080 -5.119
63 1HG PRO 9 1HG PRO 9 -12.841 0.141 -2.313
64 2HG PRO 9 2HG PRO 9 -12.758 -0.802 -3.810
65 1HD PRO 9 1HD PRO 9 -10.656 -0.443 -2.004
66 2HD PRO 9 2HD PRO 9 -10.486 -0.983 -3.678
67 H LYS 10 H LYS 10 -10.307 1.961 -1.277
68 HA LYS 10 HA LYS 10 -12.193 3.255 0.255
69 1HB LYS 10 1HB LYS 10 -9.556 2.243 0.635
70 2HB LYS 10 2HB LYS 10 -9.633 3.838 1.369
71 1HG LYS 10 1HG LYS 10 -10.549 2.889 3.144
72 2HG LYS 10 2HG LYS 10 -11.983 2.574 2.165
73 1HD LYS 10 1HD LYS 10 -10.216 0.551 1.461
74 2HD LYS 10 2HD LYS 10 -9.999 0.727 3.203
75 1HE LYS 10 1HE LYS 10 -12.719 0.516 1.941
76 2HE LYS 10 2HE LYS 10 -11.788 -0.908 2.399
77 1HZ LYS 10 1HZ LYS 10 -12.671 1.267 4.220
78 2HZ LYS 10 2HZ LYS 10 -11.711 -0.048 4.678
79 3HZ LYS 10 3HZ LYS 10 -13.299 -0.304 4.155
80 H ARG 11 H ARG 11 -12.812 5.277 0.537
81 HA ARG 11 HA ARG 11 -11.290 7.410 -0.769
82 1HB ARG 11 1HB ARG 11 -13.385 8.756 -0.451
83 2HB ARG 11 2HB ARG 11 -13.568 7.349 -1.487
84 1HG ARG 11 1HG ARG 11 -14.174 6.830 1.326
85 2HG ARG 11 2HG ARG 11 -15.222 8.031 0.571
86 1HD ARG 11 1HD ARG 11 -15.996 6.523 -1.033
87 2HD ARG 11 2HD ARG 11 -14.643 5.422 -0.784
88 HE ARG 11 HE ARG 11 -15.765 4.468 0.976
89 1HH1 ARG 11 1HH1 ARG 11 -17.409 7.421 0.051
90 2HH1 ARG 11 2HH1 ARG 11 -18.789 7.106 1.047
91 1HH2 ARG 11 1HH2 ARG 11 -17.585 4.065 2.287
92 2HH2 ARG 11 2HH2 ARG 11 -18.891 5.202 2.316
93 H PHE 12 H PHE 12 -10.022 8.647 0.413
94 HA PHE 12 HA PHE 12 -10.473 8.820 3.311
95 1HB PHE 12 1HB PHE 12 -8.020 9.602 1.724
96 2HB PHE 12 2HB PHE 12 -8.157 9.582 3.473
97 HD1 PHE 12 HD1 PHE 12 -6.999 7.890 4.465
98 HD2 PHE 12 HD2 PHE 12 -8.847 7.141 0.704
99 HE1 PHE 12 HE1 PHE 12 -6.141 5.585 4.504
100 HE2 PHE 12 HE2 PHE 12 -7.997 4.835 0.743
101 HZ PHE 12 HZ PHE 12 -6.632 4.050 2.639
102 H MET 13 H MET 13 -9.445 11.064 4.143
103 HA MET 13 HA MET 13 -11.176 13.102 3.027
104 1HB MET 13 1HB MET 13 -10.819 12.641 5.521
105 2HB MET 13 2HB MET 13 -9.271 13.454 5.333
106 1HG MET 13 1HG MET 13 -10.512 15.439 4.465
107 2HG MET 13 2HG MET 13 -12.009 14.617 4.904
108 1HE MET 13 1HE MET 13 -13.084 14.779 7.220
109 2HE MET 13 2HE MET 13 -12.121 14.683 8.694
110 3HE MET 13 3HE MET 13 -12.011 13.404 7.484
111 H ARG 14 H ARG 14 -7.695 12.528 3.405
112 HA ARG 14 HA ARG 14 -7.205 14.642 1.421
113 1HB ARG 14 1HB ARG 14 -5.732 14.289 4.036
114 2HB ARG 14 2HB ARG 14 -5.161 15.304 2.721
115 1HG ARG 14 1HG ARG 14 -6.296 16.966 3.648
116 2HG ARG 14 2HG ARG 14 -7.772 16.141 3.142
117 1HD ARG 14 1HD ARG 14 -8.217 16.290 5.365
118 2HD ARG 14 2HD ARG 14 -7.308 14.782 5.379
119 HE ARG 14 HE ARG 14 -5.595 15.842 6.483
120 1HH1 ARG 14 1HH1 ARG 14 -7.861 18.245 5.318
121 2HH1 ARG 14 2HH1 ARG 14 -7.137 19.538 6.211
122 1HH2 ARG 14 1HH2 ARG 14 -4.646 17.550 7.659
123 2HH2 ARG 14 2HH2 ARG 14 -5.313 19.144 7.540
124 H SER 15 H SER 15 -5.002 14.504 0.459
125 HA SER 15 HA SER 15 -4.494 11.949 -0.570
126 1HB SER 15 1HB SER 15 -3.835 13.972 -1.765
127 2HB SER 15 2HB SER 15 -2.679 14.373 -0.495
128 HG SER 15 HG SER 15 -1.321 12.958 -1.280
129 H ASP 16 H ASP 16 -2.828 13.764 1.999
130 HA ASP 16 HA ASP 16 -0.779 11.895 2.460
131 1HB ASP 16 1HB ASP 16 -0.708 12.971 4.789
132 2HB ASP 16 2HB ASP 16 -0.416 14.010 3.401
133 H HIS 17 H HIS 17 -4.097 12.041 3.623
134 HA HIS 17 HA HIS 17 -3.967 10.225 5.735
135 1HB HIS 17 1HB HIS 17 -6.156 10.883 3.773
136 2HB HIS 17 2HB HIS 17 -6.391 9.677 5.030
137 HD1 HIS 17 HD1 HIS 17 -8.277 11.305 5.949
138 HD2 HIS 17 HD2 HIS 17 -4.393 12.757 6.173
139 HE1 HIS 17 HE1 HIS 17 -8.376 13.244 7.546
140 HE2 HIS 17 HE2 HIS 17 -5.994 14.038 7.746
141 H LEU 18 H LEU 18 -3.882 9.707 2.280
142 HA LEU 18 HA LEU 18 -4.207 6.827 2.494
143 1HB LEU 18 1HB LEU 18 -3.507 8.598 0.166
144 2HB LEU 18 2HB LEU 18 -3.720 6.866 0.060
145 HG LEU 18 HG LEU 18 -6.089 7.311 0.962
146 1HD1 LEU 18 1HD1 LEU 18 -6.871 9.594 0.085
147 2HD1 LEU 18 2HD1 LEU 18 -5.173 10.057 0.194
148 3HD1 LEU 18 3HD1 LEU 18 -6.040 9.541 1.639
149 1HD2 LEU 18 1HD2 LEU 18 -5.794 6.490 -1.213
150 2HD2 LEU 18 2HD2 LEU 18 -5.080 8.002 -1.770
151 3HD2 LEU 18 3HD2 LEU 18 -6.802 7.923 -1.394
152 H SER 19 H SER 19 -1.725 9.136 1.450
153 HA SER 19 HA SER 19 0.344 7.603 0.763
154 1HB SER 19 1HB SER 19 0.667 9.955 0.768
155 2HB SER 19 2HB SER 19 0.381 10.072 2.505
156 HG SER 19 HG SER 19 2.397 9.556 2.866
157 H LYS 20 H LYS 20 -0.607 8.134 4.143
158 HA LYS 20 HA LYS 20 1.525 6.496 5.181
159 1HB LYS 20 1HB LYS 20 0.515 8.395 6.446
160 2HB LYS 20 2HB LYS 20 -0.975 7.472 6.576
161 1HG LYS 20 1HG LYS 20 1.350 5.989 7.499
162 2HG LYS 20 2HG LYS 20 1.090 7.490 8.389
163 1HD LYS 20 1HD LYS 20 -1.169 6.842 8.920
164 2HD LYS 20 2HD LYS 20 -1.036 5.405 7.904
165 1HE LYS 20 1HE LYS 20 0.957 5.751 10.077
166 2HE LYS 20 2HE LYS 20 -0.689 5.325 10.540
167 1HZ LYS 20 1HZ LYS 20 -0.583 3.371 9.200
168 2HZ LYS 20 2HZ LYS 20 0.794 3.393 10.181
169 3HZ LYS 20 3HZ LYS 20 0.914 3.816 8.548
170 H HIS 21 H HIS 21 -1.832 6.042 4.267
171 HA HIS 21 HA HIS 21 -2.016 3.421 5.472
172 1HB HIS 21 1HB HIS 21 -4.097 4.378 5.515
173 2HB HIS 21 2HB HIS 21 -3.850 5.251 4.011
174 HD1 HIS 21 HD1 HIS 21 -5.999 2.786 5.251
175 HD2 HIS 21 HD2 HIS 21 -3.707 3.065 1.804
176 HE1 HIS 21 HE1 HIS 21 -7.072 1.242 3.557
177 H ILE 22 H ILE 22 -1.536 4.725 2.194
178 HA ILE 22 HA ILE 22 -1.897 2.315 0.820
179 HB ILE 22 HB ILE 22 -0.265 3.373 -0.899
180 1HG1 ILE 22 1HG1 ILE 22 -0.896 6.040 -0.172
181 2HG1 ILE 22 2HG1 ILE 22 -0.144 5.266 1.219
182 1HG2 ILE 22 1HG2 ILE 22 -2.259 5.139 -1.320
183 2HG2 ILE 22 2HG2 ILE 22 -3.047 4.030 -0.200
184 3HG2 ILE 22 3HG2 ILE 22 -2.368 3.422 -1.709
185 1HD1 ILE 22 1HD1 ILE 22 1.071 5.116 -1.511
186 2HD1 ILE 22 2HD1 ILE 22 1.834 4.830 0.052
187 3HD1 ILE 22 3HD1 ILE 22 1.379 6.466 -0.420
188 H THR 23 H THR 23 1.102 3.714 2.071
189 HA THR 23 HA THR 23 2.894 1.895 1.084
190 HB THR 23 HB THR 23 2.871 3.176 3.826
191 HG1 THR 23 HG1 THR 23 4.152 3.913 1.404
192 1HG2 THR 23 1HG2 THR 23 4.460 1.422 3.980
193 2HG2 THR 23 2HG2 THR 23 5.352 2.921 3.718
194 3HG2 THR 23 3HG2 THR 23 5.115 1.791 2.385
195 H LEU 24 H LEU 24 0.792 1.467 3.900
196 HA LEU 24 HA LEU 24 1.809 -1.224 4.369
197 1HB LEU 24 1HB LEU 24 0.218 -1.240 6.261
198 2HB LEU 24 2HB LEU 24 1.338 0.114 6.322
199 HG LEU 24 HG LEU 24 -0.735 1.175 4.937
200 1HD1 LEU 24 1HD1 LEU 24 -2.724 0.315 5.396
201 2HD1 LEU 24 2HD1 LEU 24 -2.330 0.088 7.103
202 3HD1 LEU 24 3HD1 LEU 24 -1.847 -1.125 5.917
203 1HD2 LEU 24 1HD2 LEU 24 -0.522 1.225 7.938
204 2HD2 LEU 24 2HD2 LEU 24 -1.177 2.479 6.885
205 3HD2 LEU 24 3HD2 LEU 24 0.549 2.120 6.861
206 H HIS 25 H HIS 25 -1.196 0.361 3.326
207 HA HIS 25 HA HIS 25 -2.705 -2.015 3.134
208 1HB HIS 25 1HB HIS 25 -4.344 -0.515 2.912
209 2HB HIS 25 2HB HIS 25 -3.185 0.775 2.684
210 HD1 HIS 25 HD1 HIS 25 -4.945 -1.856 0.562
211 HD2 HIS 25 HD2 HIS 25 -3.395 1.994 0.306
212 HE1 HIS 25 HE1 HIS 25 -5.582 -0.978 -1.720
213 H GLU 26 H GLU 26 -0.432 -0.459 0.994
214 HA GLU 26 HA GLU 26 -1.154 -1.847 -1.375
215 1HB GLU 26 1HB GLU 26 0.317 0.179 -1.294
216 2HB GLU 26 2HB GLU 26 1.582 -0.817 -0.589
217 1HG GLU 26 1HG GLU 26 1.956 -0.515 -2.955
218 2HG GLU 26 2HG GLU 26 1.604 -2.205 -2.596
219 H LEU 27 H LEU 27 0.531 -2.713 1.533
220 HA LEU 27 HA LEU 27 1.676 -5.122 0.324
221 1HB LEU 27 1HB LEU 27 1.736 -4.258 3.217
222 2HB LEU 27 2HB LEU 27 2.692 -5.531 2.486
223 1HD1 LEU 27 1HD1 LEU 27 4.352 -1.967 3.066
224 2HD1 LEU 27 2HD1 LEU 27 4.271 -3.478 3.972
225 3HD1 LEU 27 3HD1 LEU 27 2.830 -2.475 3.798
226 1HD2 LEU 27 1HD2 LEU 27 5.327 -3.526 1.186
227 2HD2 LEU 27 2HD2 LEU 27 4.291 -4.811 0.569
228 3HD2 LEU 27 3HD2 LEU 27 4.992 -4.942 2.182
229 H LEU 28 H LEU 28 -0.021 -4.761 3.435
230 HA LEU 28 HA LEU 28 -1.592 -7.160 2.779
231 1HB LEU 28 1HB LEU 28 -0.968 -5.933 5.468
232 2HB LEU 28 2HB LEU 28 -1.902 -7.394 5.210
233 HG LEU 28 HG LEU 28 0.454 -7.956 3.898
234 1HD1 LEU 28 1HD1 LEU 28 1.491 -5.930 4.802
235 2HD1 LEU 28 2HD1 LEU 28 2.253 -7.391 5.428
236 3HD1 LEU 28 3HD1 LEU 28 1.130 -6.480 6.438
237 1HD2 LEU 28 1HD2 LEU 28 0.910 -9.422 5.820
238 2HD2 LEU 28 2HD2 LEU 28 -0.778 -9.490 5.310
239 3HD2 LEU 28 3HD2 LEU 28 -0.327 -8.569 6.745
240 H GLY 29 H GLY 29 -3.789 -7.177 4.032
241 1HA GLY 29 1HA GLY 29 -5.567 -5.721 4.912
242 2HA GLY 29 2HA GLY 29 -5.054 -4.519 3.739
243 H GLU 30 H GLU 30 -7.503 -6.469 4.376
244 HA GLU 30 HA GLU 30 -7.928 -7.583 1.726
245 1HB GLU 30 1HB GLU 30 -9.952 -8.556 2.656
246 2HB GLU 30 2HB GLU 30 -8.589 -8.870 3.719
247 1HG GLU 30 1HG GLU 30 -9.585 -6.551 4.758
248 2HG GLU 30 2HG GLU 30 -11.046 -7.364 4.201
249 H GLU 31 H GLU 31 -9.328 -6.830 0.205
250 HA GLU 31 HA GLU 31 -10.362 -4.133 0.600
251 1HB GLU 31 1HB GLU 31 -10.044 -5.876 -1.841
252 2HB GLU 31 2HB GLU 31 -10.894 -4.338 -1.884
253 1HG GLU 31 1HG GLU 31 -8.911 -3.152 -1.251
254 2HG GLU 31 2HG GLU 31 -8.041 -4.663 -0.990
255 H ARG 32 H ARG 32 -12.468 -3.610 0.761
256 HA ARG 32 HA ARG 32 -14.377 -5.703 1.225
257 1HB ARG 32 1HB ARG 32 -14.094 -3.094 2.083
258 2HB ARG 32 2HB ARG 32 -15.464 -2.999 0.985
259 1HG ARG 32 1HG ARG 32 -16.142 -5.186 2.410
260 2HG ARG 32 2HG ARG 32 -15.235 -4.277 3.621
261 1HD ARG 32 1HD ARG 32 -16.700 -2.473 3.546
262 2HD ARG 32 2HD ARG 32 -17.340 -2.932 1.968
263 HE ARG 32 HE ARG 32 -18.173 -3.927 4.553
264 1HH1 ARG 32 1HH1 ARG 32 -18.226 -4.439 1.087
265 2HH1 ARG 32 2HH1 ARG 32 -19.616 -5.469 1.138
266 1HH2 ARG 32 1HH2 ARG 32 -20.003 -5.285 4.611
267 2HH2 ARG 32 2HH2 ARG 32 -20.626 -5.949 3.138
268 H ARG 33 H ARG 33 -16.564 -5.669 0.230
269 HA ARG 33 HA ARG 33 -16.402 -5.973 -2.572
270 1HB ARG 33 1HB ARG 33 -18.047 -7.028 -0.836
271 2HB ARG 33 2HB ARG 33 -19.022 -5.602 -1.158
272 1HG ARG 33 1HG ARG 33 -18.098 -6.923 -3.584
273 2HG ARG 33 2HG ARG 33 -19.093 -7.957 -2.560
274 1HD ARG 33 1HD ARG 33 -20.820 -6.970 -3.592
275 2HD ARG 33 2HD ARG 33 -20.495 -5.624 -2.501
276 HE ARG 33 HE ARG 33 -18.876 -5.177 -4.662
277 1HH1 ARG 33 1HH1 ARG 33 -22.322 -5.618 -4.209
278 2HH1 ARG 33 2HH1 ARG 33 -22.748 -4.625 -5.563
279 1HH2 ARG 33 1HH2 ARG 33 -19.446 -3.872 -6.441
280 2HH2 ARG 33 2HH2 ARG 33 -21.118 -3.634 -6.829
Start of MODEL 14
1 H TYR 1 H TYR 1 -12.834 15.379 -0.032
2 HA TYR 1 HA TYR 1 -11.989 13.407 0.836
3 1HB TYR 1 1HB TYR 1 -13.906 11.540 1.118
4 2HB TYR 1 2HB TYR 1 -13.358 12.550 2.448
5 HD1 TYR 1 HD1 TYR 1 -14.834 14.057 3.522
6 HD2 TYR 1 HD2 TYR 1 -16.035 12.142 -0.082
7 HE1 TYR 1 HE1 TYR 1 -17.131 14.857 3.871
8 HE2 TYR 1 HE2 TYR 1 -18.336 12.937 0.257
9 HH TYR 1 HH TYR 1 -19.633 13.777 2.844
10 H LYS 2 H LYS 2 -11.448 13.841 -1.438
11 HA LYS 2 HA LYS 2 -12.722 11.859 -3.201
12 1HB LYS 2 1HB LYS 2 -13.202 14.414 -3.629
13 2HB LYS 2 2HB LYS 2 -11.601 14.385 -4.352
14 1HG LYS 2 1HG LYS 2 -13.148 12.170 -5.316
15 2HG LYS 2 2HG LYS 2 -14.038 13.676 -5.536
16 1HD LYS 2 1HD LYS 2 -12.808 14.031 -7.359
17 2HD LYS 2 2HD LYS 2 -11.424 14.278 -6.293
18 1HE LYS 2 1HE LYS 2 -10.537 12.600 -7.518
19 2HE LYS 2 2HE LYS 2 -11.449 11.592 -6.397
20 1HZ LYS 2 1HZ LYS 2 -12.367 12.469 -9.084
21 2HZ LYS 2 2HZ LYS 2 -13.260 11.518 -8.007
22 3HZ LYS 2 3HZ LYS 2 -11.828 10.917 -8.677
23 H PHE 3 H PHE 3 -10.684 10.961 -1.860
24 HA PHE 3 HA PHE 3 -8.521 10.833 -3.822
25 1HB PHE 3 1HB PHE 3 -8.157 12.479 -1.746
26 2HB PHE 3 2HB PHE 3 -7.701 10.974 -0.961
27 HD1 PHE 3 HD1 PHE 3 -6.805 13.434 -3.505
28 HD2 PHE 3 HD2 PHE 3 -5.722 9.766 -1.655
29 HE1 PHE 3 HE1 PHE 3 -4.553 13.609 -4.477
30 HE2 PHE 3 HE2 PHE 3 -3.468 9.923 -2.619
31 HZ PHE 3 HZ PHE 3 -2.881 11.853 -4.039
32 H ALA 4 H ALA 4 -8.531 8.739 -4.353
33 HA ALA 4 HA ALA 4 -8.838 6.750 -2.232
34 1HB ALA 4 1HB ALA 4 -9.670 5.210 -3.951
35 2HB ALA 4 2HB ALA 4 -9.507 6.489 -5.154
36 3HB ALA 4 3HB ALA 4 -10.659 6.665 -3.831
37 H CYS 5 H CYS 5 -7.454 4.987 -2.138
38 HA CYS 5 HA CYS 5 -4.792 5.404 -2.941
39 1HB CYS 5 1HB CYS 5 -6.081 2.794 -2.119
40 2HB CYS 5 2HB CYS 5 -4.360 3.164 -2.091
41 HG CYS 5 HG CYS 5 -5.998 3.505 0.221
42 HA PRO 6 HA PRO 6 -4.601 3.790 -7.046
43 1HB PRO 6 1HB PRO 6 -2.022 2.528 -6.433
44 2HB PRO 6 2HB PRO 6 -2.385 3.855 -7.539
45 1HG PRO 6 1HG PRO 6 -1.048 4.232 -5.225
46 2HG PRO 6 2HG PRO 6 -2.128 5.459 -5.912
47 1HD PRO 6 1HD PRO 6 -2.617 3.546 -3.664
48 2HD PRO 6 2HD PRO 6 -3.097 5.247 -3.822
49 H GLU 7 H GLU 7 -4.280 1.717 -4.280
50 HA GLU 7 HA GLU 7 -4.595 -0.695 -5.890
51 1HB GLU 7 1HB GLU 7 -4.086 -0.380 -2.933
52 2HB GLU 7 2HB GLU 7 -4.126 -1.895 -3.808
53 1HG GLU 7 1HG GLU 7 -1.877 -1.526 -3.672
54 2HG GLU 7 2HG GLU 7 -2.241 -0.798 -5.234
55 H CYS 8 H CYS 8 -6.113 0.842 -3.009
56 HA CYS 8 HA CYS 8 -8.522 -0.750 -3.558
57 1HB CYS 8 1HB CYS 8 -9.233 -0.329 -1.303
58 2HB CYS 8 2HB CYS 8 -7.610 -0.950 -1.288
59 HG CYS 8 HG CYS 8 -8.116 2.091 -0.890
60 HA PRO 9 HA PRO 9 -10.973 2.702 -4.591
61 1HB PRO 9 1HB PRO 9 -13.401 1.804 -3.924
62 2HB PRO 9 2HB PRO 9 -12.444 1.019 -5.185
63 1HG PRO 9 1HG PRO 9 -12.904 0.180 -2.356
64 2HG PRO 9 2HG PRO 9 -12.790 -0.815 -3.818
65 1HD PRO 9 1HD PRO 9 -10.724 -0.392 -1.985
66 2HD PRO 9 2HD PRO 9 -10.520 -0.988 -3.635
67 H LYS 10 H LYS 10 -10.681 1.839 -1.271
68 HA LYS 10 HA LYS 10 -12.507 3.291 0.106
69 1HB LYS 10 1HB LYS 10 -9.777 2.386 0.612
70 2HB LYS 10 2HB LYS 10 -10.199 3.827 1.525
71 1HG LYS 10 1HG LYS 10 -12.002 1.436 1.490
72 2HG LYS 10 2HG LYS 10 -10.622 1.532 2.586
73 1HD LYS 10 1HD LYS 10 -12.091 2.531 3.969
74 2HD LYS 10 2HD LYS 10 -11.768 3.960 2.984
75 1HE LYS 10 1HE LYS 10 -13.692 3.338 1.546
76 2HE LYS 10 2HE LYS 10 -14.041 2.006 2.646
77 1HZ LYS 10 1HZ LYS 10 -15.416 3.910 3.150
78 2HZ LYS 10 2HZ LYS 10 -14.055 4.893 3.344
79 3HZ LYS 10 3HZ LYS 10 -14.345 3.627 4.429
80 H ARG 11 H ARG 11 -13.025 5.333 0.442
81 HA ARG 11 HA ARG 11 -11.431 7.416 -0.861
82 1HB ARG 11 1HB ARG 11 -13.445 8.829 -0.630
83 2HB ARG 11 2HB ARG 11 -13.765 7.353 -1.526
84 1HG ARG 11 1HG ARG 11 -14.303 6.846 1.214
85 2HG ARG 11 2HG ARG 11 -15.088 8.360 0.768
86 1HD ARG 11 1HD ARG 11 -16.708 6.815 0.226
87 2HD ARG 11 2HD ARG 11 -15.883 7.020 -1.317
88 HE ARG 11 HE ARG 11 -15.625 4.716 0.491
89 1HH1 ARG 11 1HH1 ARG 11 -15.080 6.166 -2.659
90 2HH1 ARG 11 2HH1 ARG 11 -14.598 4.674 -3.390
91 1HH2 ARG 11 1HH2 ARG 11 -14.983 2.765 -0.487
92 2HH2 ARG 11 2HH2 ARG 11 -14.543 2.748 -2.162
93 H PHE 12 H PHE 12 -10.117 8.603 0.329
94 HA PHE 12 HA PHE 12 -10.530 8.742 3.230
95 1HB PHE 12 1HB PHE 12 -8.120 9.540 1.587
96 2HB PHE 12 2HB PHE 12 -8.211 9.554 3.337
97 HD1 PHE 12 HD1 PHE 12 -7.005 7.894 4.321
98 HD2 PHE 12 HD2 PHE 12 -8.982 7.048 0.646
99 HE1 PHE 12 HE1 PHE 12 -6.135 5.596 4.385
100 HE2 PHE 12 HE2 PHE 12 -8.120 4.745 0.710
101 HZ PHE 12 HZ PHE 12 -6.684 4.011 2.578
102 H MET 13 H MET 13 -9.399 11.021 4.012
103 HA MET 13 HA MET 13 -11.163 13.058 2.872
104 1HB MET 13 1HB MET 13 -9.816 12.688 5.512
105 2HB MET 13 2HB MET 13 -10.232 14.318 4.999
106 1HG MET 13 1HG MET 13 -12.054 13.643 6.264
107 2HG MET 13 2HG MET 13 -12.581 13.401 4.601
108 1HE MET 13 1HE MET 13 -14.290 10.234 5.137
109 2HE MET 13 2HE MET 13 -13.459 10.888 3.725
110 3HE MET 13 3HE MET 13 -14.359 11.963 4.796
111 H ARG 14 H ARG 14 -7.739 12.389 3.398
112 HA ARG 14 HA ARG 14 -7.089 14.672 1.664
113 1HB ARG 14 1HB ARG 14 -5.686 14.023 4.266
114 2HB ARG 14 2HB ARG 14 -5.150 15.226 3.104
115 1HG ARG 14 1HG ARG 14 -6.254 16.590 4.533
116 2HG ARG 14 2HG ARG 14 -7.609 16.148 3.493
117 1HD ARG 14 1HD ARG 14 -8.675 15.250 5.222
118 2HD ARG 14 2HD ARG 14 -7.323 14.164 5.519
119 HE ARG 14 HE ARG 14 -6.500 15.643 7.129
120 1HH1 ARG 14 1HH1 ARG 14 -9.419 16.894 5.643
121 2HH1 ARG 14 2HH1 ARG 14 -9.689 18.069 6.883
122 1HH2 ARG 14 1HH2 ARG 14 -6.865 17.199 8.754
123 2HH2 ARG 14 2HH2 ARG 14 -8.242 18.245 8.645
124 H SER 15 H SER 15 -4.979 14.525 0.648
125 HA SER 15 HA SER 15 -4.445 12.023 -0.477
126 1HB SER 15 1HB SER 15 -3.774 14.065 -1.599
127 2HB SER 15 2HB SER 15 -2.680 14.478 -0.279
128 HG SER 15 HG SER 15 -1.769 13.432 -2.245
129 H ASP 16 H ASP 16 -2.808 13.712 2.197
130 HA ASP 16 HA ASP 16 -0.765 11.813 2.589
131 1HB ASP 16 1HB ASP 16 -0.647 12.797 4.926
132 2HB ASP 16 2HB ASP 16 -0.449 13.930 3.595
133 H HIS 17 H HIS 17 -4.091 11.952 3.748
134 HA HIS 17 HA HIS 17 -4.011 10.050 5.778
135 1HB HIS 17 1HB HIS 17 -6.139 10.880 3.831
136 2HB HIS 17 2HB HIS 17 -6.423 9.511 4.895
137 HD1 HIS 17 HD1 HIS 17 -8.329 10.885 6.044
138 HD2 HIS 17 HD2 HIS 17 -4.525 12.507 6.447
139 HE1 HIS 17 HE1 HIS 17 -8.523 12.611 7.862
140 HE2 HIS 17 HE2 HIS 17 -6.206 13.570 8.100
141 H LEU 18 H LEU 18 -3.899 9.666 2.305
142 HA LEU 18 HA LEU 18 -4.176 6.772 2.432
143 1HB LEU 18 1HB LEU 18 -3.562 8.591 0.115
144 2HB LEU 18 2HB LEU 18 -3.846 6.869 -0.002
145 HG LEU 18 HG LEU 18 -6.152 7.381 1.009
146 1HD1 LEU 18 1HD1 LEU 18 -6.825 9.752 0.128
147 2HD1 LEU 18 2HD1 LEU 18 -5.115 10.102 0.378
148 3HD1 LEU 18 3HD1 LEU 18 -6.109 9.563 1.729
149 1HD2 LEU 18 1HD2 LEU 18 -6.786 8.324 -1.392
150 2HD2 LEU 18 2HD2 LEU 18 -6.291 6.653 -1.129
151 3HD2 LEU 18 3HD2 LEU 18 -5.124 7.837 -1.721
152 H SER 19 H SER 19 -1.784 9.163 1.350
153 HA SER 19 HA SER 19 0.291 7.659 0.578
154 1HB SER 19 1HB SER 19 0.487 10.056 0.594
155 2HB SER 19 2HB SER 19 0.408 10.109 2.355
156 HG SER 19 HG SER 19 2.546 10.284 1.742
157 H LYS 20 H LYS 20 -0.583 8.176 3.978
158 HA LYS 20 HA LYS 20 1.623 6.573 4.936
159 1HB LYS 20 1HB LYS 20 -0.768 7.801 6.311
160 2HB LYS 20 2HB LYS 20 0.425 6.826 7.156
161 1HG LYS 20 1HG LYS 20 1.927 8.484 7.206
162 2HG LYS 20 2HG LYS 20 1.563 9.000 5.558
163 1HD LYS 20 1HD LYS 20 -0.424 10.161 6.338
164 2HD LYS 20 2HD LYS 20 -0.135 9.591 7.983
165 1HE LYS 20 1HE LYS 20 1.946 10.841 8.074
166 2HE LYS 20 2HE LYS 20 1.728 11.362 6.404
167 1HZ LYS 20 1HZ LYS 20 -0.252 12.563 7.059
168 2HZ LYS 20 2HZ LYS 20 1.066 13.074 7.987
169 3HZ LYS 20 3HZ LYS 20 -0.086 12.034 8.658
170 H HIS 21 H HIS 21 -1.776 6.125 4.198
171 HA HIS 21 HA HIS 21 -1.944 3.527 5.435
172 1HB HIS 21 1HB HIS 21 -4.020 4.497 5.483
173 2HB HIS 21 2HB HIS 21 -3.787 5.332 3.955
174 HD1 HIS 21 HD1 HIS 21 -5.875 2.838 5.306
175 HD2 HIS 21 HD2 HIS 21 -3.729 3.167 1.773
176 HE1 HIS 21 HE1 HIS 21 -6.988 1.277 3.652
177 H ILE 22 H ILE 22 -1.442 4.756 2.139
178 HA ILE 22 HA ILE 22 -1.847 2.317 0.815
179 HB ILE 22 HB ILE 22 -0.216 3.327 -0.937
180 1HG1 ILE 22 1HG1 ILE 22 -0.844 6.012 -0.263
181 2HG1 ILE 22 2HG1 ILE 22 -0.070 5.265 1.133
182 1HG2 ILE 22 1HG2 ILE 22 -2.191 5.062 -1.438
183 2HG2 ILE 22 2HG2 ILE 22 -2.990 4.055 -0.231
184 3HG2 ILE 22 3HG2 ILE 22 -2.347 3.325 -1.702
185 1HD1 ILE 22 1HD1 ILE 22 1.465 6.417 -0.479
186 2HD1 ILE 22 2HD1 ILE 22 1.081 5.140 -1.634
187 3HD1 ILE 22 3HD1 ILE 22 1.871 4.741 -0.109
188 H THR 23 H THR 23 1.174 3.739 1.993
189 HA THR 23 HA THR 23 2.930 1.843 1.066
190 HB THR 23 HB THR 23 3.038 3.223 3.758
191 HG1 THR 23 HG1 THR 23 3.150 4.882 2.462
192 1HG2 THR 23 1HG2 THR 23 4.713 1.551 3.788
193 2HG2 THR 23 2HG2 THR 23 5.514 3.078 3.416
194 3HG2 THR 23 3HG2 THR 23 5.198 1.914 2.131
195 H LEU 24 H LEU 24 0.710 1.524 3.767
196 HA LEU 24 HA LEU 24 1.823 -1.105 4.444
197 1HB LEU 24 1HB LEU 24 0.237 -1.034 6.349
198 2HB LEU 24 2HB LEU 24 1.373 0.306 6.341
199 HG LEU 24 HG LEU 24 -0.685 1.366 4.955
200 1HD1 LEU 24 1HD1 LEU 24 -2.311 0.323 7.120
201 2HD1 LEU 24 2HD1 LEU 24 -1.829 -0.914 5.958
202 3HD1 LEU 24 3HD1 LEU 24 -2.688 0.528 5.408
203 1HD2 LEU 24 1HD2 LEU 24 -1.115 2.706 6.867
204 2HD2 LEU 24 2HD2 LEU 24 0.602 2.301 6.889
205 3HD2 LEU 24 3HD2 LEU 24 -0.519 1.452 7.955
206 H HIS 25 H HIS 25 -1.179 0.419 3.329
207 HA HIS 25 HA HIS 25 -2.671 -1.984 3.234
208 1HB HIS 25 1HB HIS 25 -4.336 -0.515 3.002
209 2HB HIS 25 2HB HIS 25 -3.196 0.790 2.766
210 HD1 HIS 25 HD1 HIS 25 -5.021 -1.827 0.692
211 HD2 HIS 25 HD2 HIS 25 -3.354 1.968 0.357
212 HE1 HIS 25 HE1 HIS 25 -5.665 -0.961 -1.593
213 H GLU 26 H GLU 26 -0.444 -0.449 1.022
214 HA GLU 26 HA GLU 26 -1.218 -2.068 -1.232
215 1HB GLU 26 1HB GLU 26 0.542 -1.048 -2.412
216 2HB GLU 26 2HB GLU 26 -0.029 0.207 -1.323
217 1HG GLU 26 1HG GLU 26 1.833 -0.453 0.236
218 2HG GLU 26 2HG GLU 26 2.455 -1.464 -1.066
219 H LEU 27 H LEU 27 0.654 -2.489 1.618
220 HA LEU 27 HA LEU 27 2.331 -4.602 0.548
221 1HB LEU 27 1HB LEU 27 1.973 -3.274 3.189
222 2HB LEU 27 2HB LEU 27 2.657 -4.887 3.175
223 1HD1 LEU 27 1HD1 LEU 27 4.664 -1.769 1.137
224 2HD1 LEU 27 2HD1 LEU 27 2.915 -1.974 1.047
225 3HD1 LEU 27 3HD1 LEU 27 3.979 -3.082 0.180
226 1HD2 LEU 27 1HD2 LEU 27 4.866 -3.357 4.207
227 2HD2 LEU 27 2HD2 LEU 27 3.621 -2.126 3.990
228 3HD2 LEU 27 3HD2 LEU 27 5.187 -1.945 3.200
229 H LEU 28 H LEU 28 -0.362 -4.404 2.884
230 HA LEU 28 HA LEU 28 -0.719 -7.310 2.655
231 1HB LEU 28 1HB LEU 28 -1.999 -5.438 4.643
232 2HB LEU 28 2HB LEU 28 -2.007 -7.190 4.689
233 HG LEU 28 HG LEU 28 0.525 -5.569 4.906
234 1HD1 LEU 28 1HD1 LEU 28 -1.169 -6.668 7.145
235 2HD1 LEU 28 2HD1 LEU 28 -1.004 -4.963 6.726
236 3HD1 LEU 28 3HD1 LEU 28 0.394 -5.867 7.309
237 1HD2 LEU 28 1HD2 LEU 28 0.864 -7.868 4.246
238 2HD2 LEU 28 2HD2 LEU 28 -0.164 -8.431 5.565
239 3HD2 LEU 28 3HD2 LEU 28 1.379 -7.653 5.919
240 H GLY 29 H GLY 29 -2.804 -4.412 2.930
241 1HA GLY 29 1HA GLY 29 -4.552 -3.825 1.473
242 2HA GLY 29 2HA GLY 29 -4.463 -5.424 0.751
243 H GLU 30 H GLU 30 -5.270 -3.860 3.851
244 HA GLU 30 HA GLU 30 -7.439 -5.832 4.168
245 1HB GLU 30 1HB GLU 30 -5.382 -5.579 5.863
246 2HB GLU 30 2HB GLU 30 -6.432 -4.339 6.534
247 1HG GLU 30 1HG GLU 30 -7.063 -6.167 7.753
248 2HG GLU 30 2HG GLU 30 -8.240 -6.212 6.440
249 H GLU 31 H GLU 31 -9.425 -5.053 4.032
250 HA GLU 31 HA GLU 31 -9.841 -2.161 4.360
251 1HB GLU 31 1HB GLU 31 -11.611 -4.196 2.989
252 2HB GLU 31 2HB GLU 31 -11.872 -2.457 3.032
253 1HG GLU 31 1HG GLU 31 -9.495 -3.801 1.764
254 2HG GLU 31 2HG GLU 31 -10.936 -3.275 0.896
255 H ARG 32 H ARG 32 -10.848 -1.460 6.125
256 HA ARG 32 HA ARG 32 -11.898 -3.257 8.069
257 1HB ARG 32 1HB ARG 32 -10.805 -0.971 8.464
258 2HB ARG 32 2HB ARG 32 -12.365 -0.281 8.037
259 1HG ARG 32 1HG ARG 32 -13.387 -1.060 9.940
260 2HG ARG 32 2HG ARG 32 -12.239 -2.385 10.143
261 1HD ARG 32 1HD ARG 32 -11.956 -0.629 11.845
262 2HD ARG 32 2HD ARG 32 -10.519 -0.838 10.846
263 HE ARG 32 HE ARG 32 -10.795 1.292 10.049
264 1HH1 ARG 32 1HH1 ARG 32 -13.732 0.330 11.696
265 2HH1 ARG 32 2HH1 ARG 32 -14.440 1.906 11.615
266 1HH2 ARG 32 1HH2 ARG 32 -11.734 3.365 9.940
267 2HH2 ARG 32 2HH2 ARG 32 -13.305 3.632 10.618
268 H ARG 33 H ARG 33 -13.697 -4.358 7.579
269 HA ARG 33 HA ARG 33 -16.175 -2.905 7.303
270 1HB ARG 33 1HB ARG 33 -15.334 -3.082 4.961
271 2HB ARG 33 2HB ARG 33 -15.363 -4.832 5.119
272 1HG ARG 33 1HG ARG 33 -17.764 -4.797 5.429
273 2HG ARG 33 2HG ARG 33 -17.765 -3.033 5.374
274 1HD ARG 33 1HD ARG 33 -18.442 -3.824 3.228
275 2HD ARG 33 2HD ARG 33 -16.807 -3.183 3.072
276 HE ARG 33 HE ARG 33 -16.870 -6.009 3.568
277 1HH1 ARG 33 1HH1 ARG 33 -17.075 -3.558 1.076
278 2HH1 ARG 33 2HH1 ARG 33 -16.550 -4.622 -0.185
279 1HH2 ARG 33 1HH2 ARG 33 -16.176 -7.405 1.906
280 2HH2 ARG 33 2HH2 ARG 33 -16.039 -6.807 0.286
Start of MODEL 15
1 H TYR 1 H TYR 1 -13.941 12.934 3.202
2 HA TYR 1 HA TYR 1 -12.428 11.877 1.771
3 1HB TYR 1 1HB TYR 1 -14.879 10.860 0.507
4 2HB TYR 1 2HB TYR 1 -13.717 10.031 1.530
5 HD1 TYR 1 HD1 TYR 1 -14.003 10.022 3.978
6 HD2 TYR 1 HD2 TYR 1 -16.885 11.824 1.420
7 HE1 TYR 1 HE1 TYR 1 -15.627 10.024 5.820
8 HE2 TYR 1 HE2 TYR 1 -18.518 11.831 3.256
9 HH TYR 1 HH TYR 1 -18.586 10.111 5.665
10 H LYS 2 H LYS 2 -11.228 12.408 0.067
11 HA LYS 2 HA LYS 2 -12.456 12.681 -2.535
12 1HB LYS 2 1HB LYS 2 -12.314 14.995 -1.230
13 2HB LYS 2 2HB LYS 2 -10.663 14.954 -1.833
14 1HG LYS 2 1HG LYS 2 -12.278 14.287 -4.019
15 2HG LYS 2 2HG LYS 2 -13.092 15.626 -3.206
16 1HD LYS 2 1HD LYS 2 -10.151 15.787 -3.681
17 2HD LYS 2 2HD LYS 2 -11.252 16.072 -5.029
18 1HE LYS 2 1HE LYS 2 -11.762 17.474 -2.452
19 2HE LYS 2 2HE LYS 2 -10.437 18.041 -3.468
20 1HZ LYS 2 1HZ LYS 2 -11.990 18.324 -5.289
21 2HZ LYS 2 2HZ LYS 2 -12.503 19.210 -3.943
22 3HZ LYS 2 3HZ LYS 2 -13.264 17.751 -4.335
23 H PHE 3 H PHE 3 -10.640 10.780 -1.399
24 HA PHE 3 HA PHE 3 -8.609 10.859 -3.432
25 1HB PHE 3 1HB PHE 3 -7.845 12.145 -1.198
26 2HB PHE 3 2HB PHE 3 -7.413 10.503 -0.737
27 HD1 PHE 3 HD1 PHE 3 -7.073 12.771 -3.688
28 HD2 PHE 3 HD2 PHE 3 -5.270 9.827 -1.201
29 HE1 PHE 3 HE1 PHE 3 -4.985 12.966 -4.972
30 HE2 PHE 3 HE2 PHE 3 -3.182 10.012 -2.479
31 HZ PHE 3 HZ PHE 3 -3.035 11.585 -4.369
32 H ALA 4 H ALA 4 -8.259 8.855 -4.131
33 HA ALA 4 HA ALA 4 -8.890 6.621 -2.353
34 1HB ALA 4 1HB ALA 4 -10.572 6.840 -4.097
35 2HB ALA 4 2HB ALA 4 -9.636 5.360 -4.313
36 3HB ALA 4 3HB ALA 4 -9.313 6.764 -5.330
37 H CYS 5 H CYS 5 -7.422 5.017 -2.142
38 HA CYS 5 HA CYS 5 -4.751 5.407 -2.863
39 1HB CYS 5 1HB CYS 5 -6.053 2.759 -2.201
40 2HB CYS 5 2HB CYS 5 -4.351 3.169 -2.030
41 HG CYS 5 HG CYS 5 -6.357 3.519 0.089
42 HA PRO 6 HA PRO 6 -4.368 3.910 -7.003
43 1HB PRO 6 1HB PRO 6 -1.873 2.540 -6.268
44 2HB PRO 6 2HB PRO 6 -2.124 3.892 -7.374
45 1HG PRO 6 1HG PRO 6 -0.915 4.203 -4.988
46 2HG PRO 6 2HG PRO 6 -1.926 5.467 -5.709
47 1HD PRO 6 1HD PRO 6 -2.581 3.528 -3.526
48 2HD PRO 6 2HD PRO 6 -3.011 5.244 -3.677
49 H GLU 7 H GLU 7 -4.111 1.710 -4.299
50 HA GLU 7 HA GLU 7 -4.494 -0.627 -5.995
51 1HB GLU 7 1HB GLU 7 -4.065 -0.391 -3.015
52 2HB GLU 7 2HB GLU 7 -4.178 -1.898 -3.902
53 1HG GLU 7 1HG GLU 7 -1.917 -1.686 -3.742
54 2HG GLU 7 2HG GLU 7 -2.198 -0.872 -5.280
55 H CYS 8 H CYS 8 -6.039 0.794 -3.069
56 HA CYS 8 HA CYS 8 -8.511 -0.601 -3.834
57 1HB CYS 8 1HB CYS 8 -9.262 -0.399 -1.571
58 2HB CYS 8 2HB CYS 8 -7.662 -1.077 -1.570
59 HG CYS 8 HG CYS 8 -7.621 0.677 0.275
60 HA PRO 9 HA PRO 9 -10.731 3.089 -4.539
61 1HB PRO 9 1HB PRO 9 -13.222 2.234 -4.104
62 2HB PRO 9 2HB PRO 9 -12.231 1.538 -5.392
63 1HG PRO 9 1HG PRO 9 -12.868 0.438 -2.687
64 2HG PRO 9 2HG PRO 9 -12.741 -0.407 -4.239
65 1HD PRO 9 1HD PRO 9 -10.737 -0.285 -2.294
66 2HD PRO 9 2HD PRO 9 -10.492 -0.716 -3.991
67 H LYS 10 H LYS 10 -10.212 2.106 -1.406
68 HA LYS 10 HA LYS 10 -12.130 3.232 0.191
69 1HB LYS 10 1HB LYS 10 -9.176 2.882 0.524
70 2HB LYS 10 2HB LYS 10 -10.099 3.733 1.754
71 1HG LYS 10 1HG LYS 10 -11.615 1.685 1.796
72 2HG LYS 10 2HG LYS 10 -10.338 0.874 0.887
73 1HD LYS 10 1HD LYS 10 -8.774 1.176 2.644
74 2HD LYS 10 2HD LYS 10 -9.838 2.300 3.491
75 1HE LYS 10 1HE LYS 10 -10.650 -0.541 2.968
76 2HE LYS 10 2HE LYS 10 -9.669 -0.109 4.367
77 1HZ LYS 10 1HZ LYS 10 -11.430 1.458 5.020
78 2HZ LYS 10 2HZ LYS 10 -11.973 -0.142 4.979
79 3HZ LYS 10 3HZ LYS 10 -12.381 0.919 3.728
80 H ARG 11 H ARG 11 -12.818 5.181 0.663
81 HA ARG 11 HA ARG 11 -11.373 7.502 -0.409
82 1HB ARG 11 1HB ARG 11 -13.571 8.699 0.009
83 2HB ARG 11 2HB ARG 11 -13.596 7.465 -1.242
84 1HG ARG 11 1HG ARG 11 -15.254 6.419 -0.220
85 2HG ARG 11 2HG ARG 11 -14.292 6.261 1.250
86 1HD ARG 11 1HD ARG 11 -15.038 8.389 2.045
87 2HD ARG 11 2HD ARG 11 -15.830 8.743 0.511
88 HE ARG 11 HE ARG 11 -16.835 7.106 2.658
89 1HH1 ARG 11 1HH1 ARG 11 -17.082 7.833 -0.762
90 2HH1 ARG 11 2HH1 ARG 11 -18.697 7.226 -0.897
91 1HH2 ARG 11 1HH2 ARG 11 -18.963 6.311 2.468
92 2HH2 ARG 11 2HH2 ARG 11 -19.765 6.365 0.935
93 H PHE 12 H PHE 12 -10.158 8.591 0.993
94 HA PHE 12 HA PHE 12 -10.759 8.379 3.852
95 1HB PHE 12 1HB PHE 12 -8.274 9.439 2.483
96 2HB PHE 12 2HB PHE 12 -8.481 9.238 4.215
97 HD1 PHE 12 HD1 PHE 12 -7.278 7.491 5.061
98 HD2 PHE 12 HD2 PHE 12 -9.014 7.078 1.196
99 HE1 PHE 12 HE1 PHE 12 -6.358 5.216 4.891
100 HE2 PHE 12 HE2 PHE 12 -8.102 4.804 1.024
101 HZ PHE 12 HZ PHE 12 -6.766 3.865 2.869
102 H MET 13 H MET 13 -8.926 11.115 2.717
103 HA MET 13 HA MET 13 -11.125 12.948 2.643
104 1HB MET 13 1HB MET 13 -9.982 12.371 5.173
105 2HB MET 13 2HB MET 13 -9.432 13.978 4.718
106 1HG MET 13 1HG MET 13 -11.786 14.621 4.317
107 2HG MET 13 2HG MET 13 -12.284 13.033 4.898
108 1HE MET 13 1HE MET 13 -13.305 13.044 7.423
109 2HE MET 13 2HE MET 13 -11.992 13.107 8.599
110 3HE MET 13 3HE MET 13 -11.832 12.111 7.152
111 H ARG 14 H ARG 14 -7.627 12.690 3.239
112 HA ARG 14 HA ARG 14 -7.184 14.739 1.165
113 1HB ARG 14 1HB ARG 14 -5.761 14.367 3.801
114 2HB ARG 14 2HB ARG 14 -5.103 15.338 2.493
115 1HG ARG 14 1HG ARG 14 -6.252 17.071 3.243
116 2HG ARG 14 2HG ARG 14 -7.750 16.210 2.889
117 1HD ARG 14 1HD ARG 14 -8.174 15.942 5.055
118 2HD ARG 14 2HD ARG 14 -6.590 15.220 5.323
119 HE ARG 14 HE ARG 14 -7.364 17.965 5.801
120 1HH1 ARG 14 1HH1 ARG 14 -4.701 15.720 5.418
121 2HH1 ARG 14 2HH1 ARG 14 -3.569 16.733 6.247
122 1HH2 ARG 14 1HH2 ARG 14 -5.867 19.291 6.893
123 2HH2 ARG 14 2HH2 ARG 14 -4.230 18.760 7.085
124 H SER 15 H SER 15 -4.737 14.646 0.477
125 HA SER 15 HA SER 15 -4.325 12.124 -0.727
126 1HB SER 15 1HB SER 15 -2.112 13.125 -1.419
127 2HB SER 15 2HB SER 15 -3.528 14.067 -1.872
128 HG SER 15 HG SER 15 -2.892 15.624 -0.598
129 H ASP 16 H ASP 16 -2.731 13.750 2.000
130 HA ASP 16 HA ASP 16 -0.779 11.763 2.458
131 1HB ASP 16 1HB ASP 16 -0.563 12.805 4.718
132 2HB ASP 16 2HB ASP 16 -0.460 13.954 3.389
133 H HIS 17 H HIS 17 -4.122 12.073 3.510
134 HA HIS 17 HA HIS 17 -4.202 10.286 5.629
135 1HB HIS 17 1HB HIS 17 -6.208 11.024 3.519
136 2HB HIS 17 2HB HIS 17 -6.585 9.776 4.700
137 HD1 HIS 17 HD1 HIS 17 -8.400 11.144 5.864
138 HD2 HIS 17 HD2 HIS 17 -4.697 13.022 5.797
139 HE1 HIS 17 HE1 HIS 17 -8.606 13.094 7.439
140 HE2 HIS 17 HE2 HIS 17 -6.376 14.260 7.323
141 H LEU 18 H LEU 18 -4.061 9.659 2.178
142 HA LEU 18 HA LEU 18 -4.348 6.781 2.552
143 1HB LEU 18 1HB LEU 18 -3.876 8.429 0.081
144 2HB LEU 18 2HB LEU 18 -4.085 6.695 0.090
145 HG LEU 18 HG LEU 18 -6.380 6.978 0.918
146 1HD1 LEU 18 1HD1 LEU 18 -6.340 9.001 2.124
147 2HD1 LEU 18 2HD1 LEU 18 -7.338 9.320 0.705
148 3HD1 LEU 18 3HD1 LEU 18 -5.670 9.891 0.757
149 1HD2 LEU 18 1HD2 LEU 18 -6.935 6.954 -1.220
150 2HD2 LEU 18 2HD2 LEU 18 -5.336 7.581 -1.623
151 3HD2 LEU 18 3HD2 LEU 18 -6.672 8.693 -1.330
152 H SER 19 H SER 19 -1.970 9.137 1.387
153 HA SER 19 HA SER 19 0.097 7.622 0.558
154 1HB SER 19 1HB SER 19 0.255 10.036 0.584
155 2HB SER 19 2HB SER 19 0.274 10.061 2.347
156 HG SER 19 HG SER 19 2.288 9.329 0.544
157 H LYS 20 H LYS 20 -0.775 8.104 3.960
158 HA LYS 20 HA LYS 20 1.470 6.541 4.900
159 1HB LYS 20 1HB LYS 20 0.422 8.461 6.179
160 2HB LYS 20 2HB LYS 20 -0.952 7.407 6.484
161 1HG LYS 20 1HG LYS 20 0.337 5.936 7.798
162 2HG LYS 20 2HG LYS 20 1.853 6.652 7.247
163 1HD LYS 20 1HD LYS 20 1.299 8.730 8.407
164 2HD LYS 20 2HD LYS 20 -0.232 8.032 8.941
165 1HE LYS 20 1HE LYS 20 2.349 6.657 9.576
166 2HE LYS 20 2HE LYS 20 1.823 8.035 10.542
167 1HZ LYS 20 1HZ LYS 20 0.272 5.539 10.096
168 2HZ LYS 20 2HZ LYS 20 -0.241 6.862 11.017
169 3HZ LYS 20 3HZ LYS 20 1.095 5.953 11.515
170 H HIS 21 H HIS 21 -1.918 6.031 4.155
171 HA HIS 21 HA HIS 21 -2.027 3.435 5.408
172 1HB HIS 21 1HB HIS 21 -4.125 4.354 5.469
173 2HB HIS 21 2HB HIS 21 -3.923 5.190 3.937
174 HD1 HIS 21 HD1 HIS 21 -5.871 2.574 5.333
175 HD2 HIS 21 HD2 HIS 21 -3.878 3.091 1.735
176 HE1 HIS 21 HE1 HIS 21 -6.975 1.008 3.680
177 H ILE 22 H ILE 22 -1.456 4.670 2.148
178 HA ILE 22 HA ILE 22 -1.845 2.231 0.793
179 HB ILE 22 HB ILE 22 -0.181 3.265 -0.914
180 1HG1 ILE 22 1HG1 ILE 22 -0.866 5.936 -0.213
181 2HG1 ILE 22 2HG1 ILE 22 -0.088 5.179 1.169
182 1HG2 ILE 22 1HG2 ILE 22 -2.060 4.811 -1.699
183 2HG2 ILE 22 2HG2 ILE 22 -2.937 4.262 -0.271
184 3HG2 ILE 22 3HG2 ILE 22 -2.443 3.101 -1.501
185 1HD1 ILE 22 1HD1 ILE 22 1.046 5.291 -1.610
186 2HD1 ILE 22 2HD1 ILE 22 1.832 4.603 -0.189
187 3HD1 ILE 22 3HD1 ILE 22 1.510 6.336 -0.267
188 H THR 23 H THR 23 1.128 3.665 2.069
189 HA THR 23 HA THR 23 2.908 1.770 1.144
190 HB THR 23 HB THR 23 3.021 3.211 3.805
191 HG1 THR 23 HG1 THR 23 3.098 4.840 2.465
192 1HG2 THR 23 1HG2 THR 23 5.160 1.848 2.200
193 2HG2 THR 23 2HG2 THR 23 4.720 1.586 3.888
194 3HG2 THR 23 3HG2 THR 23 5.508 3.089 3.404
195 H LEU 24 H LEU 24 0.554 1.396 3.664
196 HA LEU 24 HA LEU 24 1.744 -1.177 4.459
197 1HB LEU 24 1HB LEU 24 0.138 -1.102 6.346
198 2HB LEU 24 2HB LEU 24 1.257 0.254 6.338
199 HG LEU 24 HG LEU 24 -0.805 1.250 4.901
200 1HD1 LEU 24 1HD1 LEU 24 -1.931 -1.008 5.939
201 2HD1 LEU 24 2HD1 LEU 24 -2.807 0.425 5.390
202 3HD1 LEU 24 3HD1 LEU 24 -2.409 0.229 7.101
203 1HD2 LEU 24 1HD2 LEU 24 0.437 2.307 6.768
204 2HD2 LEU 24 2HD2 LEU 24 -0.577 1.412 7.899
205 3HD2 LEU 24 3HD2 LEU 24 -1.300 2.606 6.821
206 H HIS 25 H HIS 25 -1.270 0.320 3.327
207 HA HIS 25 HA HIS 25 -2.725 -2.100 3.214
208 1HB HIS 25 1HB HIS 25 -4.420 -0.680 2.953
209 2HB HIS 25 2HB HIS 25 -3.301 0.653 2.793
210 HD1 HIS 25 HD1 HIS 25 -5.071 -1.900 0.602
211 HD2 HIS 25 HD2 HIS 25 -3.362 1.885 0.396
212 HE1 HIS 25 HE1 HIS 25 -5.659 -0.972 -1.674
213 H GLU 26 H GLU 26 -0.493 -0.534 1.025
214 HA GLU 26 HA GLU 26 -1.252 -2.020 -1.287
215 1HB GLU 26 1HB GLU 26 0.727 -1.218 -2.308
216 2HB GLU 26 2HB GLU 26 0.179 0.083 -1.262
217 1HG GLU 26 1HG GLU 26 2.204 0.141 -0.381
218 2HG GLU 26 2HG GLU 26 1.906 -1.453 0.306
219 H LEU 27 H LEU 27 0.439 -2.763 1.628
220 HA LEU 27 HA LEU 27 1.651 -5.176 0.465
221 1HB LEU 27 1HB LEU 27 1.948 -3.726 3.069
222 2HB LEU 27 2HB LEU 27 2.403 -5.417 2.964
223 1HD1 LEU 27 1HD1 LEU 27 4.348 -2.146 2.352
224 2HD1 LEU 27 2HD1 LEU 27 2.711 -2.192 1.697
225 3HD1 LEU 27 3HD1 LEU 27 4.098 -2.408 0.626
226 1HD2 LEU 27 1HD2 LEU 27 4.331 -4.867 3.729
227 2HD2 LEU 27 2HD2 LEU 27 5.432 -3.716 2.973
228 3HD2 LEU 27 3HD2 LEU 27 5.311 -5.360 2.348
229 H LEU 28 H LEU 28 0.056 -4.664 3.606
230 HA LEU 28 HA LEU 28 -1.435 -7.165 3.185
231 1HB LEU 28 1HB LEU 28 -0.840 -5.698 5.759
232 2HB LEU 28 2HB LEU 28 -1.662 -7.240 5.622
233 HG LEU 28 HG LEU 28 1.142 -6.898 4.603
234 1HD1 LEU 28 1HD1 LEU 28 1.146 -6.145 6.926
235 2HD1 LEU 28 2HD1 LEU 28 1.969 -7.694 6.753
236 3HD1 LEU 28 3HD1 LEU 28 0.336 -7.632 7.414
237 1HD2 LEU 28 1HD2 LEU 28 -0.443 -9.267 5.593
238 2HD2 LEU 28 2HD2 LEU 28 1.234 -9.313 5.046
239 3HD2 LEU 28 3HD2 LEU 28 -0.051 -8.896 3.913
240 H GLY 29 H GLY 29 -3.569 -7.139 4.590
241 1HA GLY 29 1HA GLY 29 -5.275 -5.183 3.395
242 2HA GLY 29 2HA GLY 29 -5.754 -6.408 4.561
243 H GLU 30 H GLU 30 -5.646 -5.943 6.791
244 HA GLU 30 HA GLU 30 -4.739 -3.403 7.747
245 1HB GLU 30 1HB GLU 30 -7.209 -3.255 6.633
246 2HB GLU 30 2HB GLU 30 -7.633 -3.673 8.287
247 1HG GLU 30 1HG GLU 30 -5.755 -1.421 7.672
248 2HG GLU 30 2HG GLU 30 -7.504 -1.200 7.656
249 H GLU 31 H GLU 31 -3.644 -4.360 9.377
250 HA GLU 31 HA GLU 31 -5.120 -6.158 11.172
251 1HB GLU 31 1HB GLU 31 -2.732 -6.608 10.017
252 2HB GLU 31 2HB GLU 31 -2.189 -5.814 11.487
253 1HG GLU 31 1HG GLU 31 -3.760 -8.356 11.218
254 2HG GLU 31 2HG GLU 31 -2.165 -8.122 11.932
255 H ARG 32 H ARG 32 -6.225 -4.449 12.233
256 HA ARG 32 HA ARG 32 -4.560 -2.671 13.874
257 1HB ARG 32 1HB ARG 32 -6.690 -1.431 14.286
258 2HB ARG 32 2HB ARG 32 -6.186 -1.460 12.603
259 1HG ARG 32 1HG ARG 32 -7.934 -2.781 11.955
260 2HG ARG 32 2HG ARG 32 -8.091 -3.543 13.537
261 1HD ARG 32 1HD ARG 32 -9.975 -2.040 12.989
262 2HD ARG 32 2HD ARG 32 -9.110 -1.560 14.447
263 HE ARG 32 HE ARG 32 -9.072 -0.184 11.858
264 1HH1 ARG 32 1HH1 ARG 32 -8.104 -0.256 15.231
265 2HH1 ARG 32 2HH1 ARG 32 -7.642 1.410 15.255
266 1HH2 ARG 32 1HH2 ARG 32 -8.460 2.009 11.909
267 2HH2 ARG 32 2HH2 ARG 32 -7.843 2.695 13.375
268 H ARG 33 H ARG 33 -6.955 -5.233 14.081
269 HA ARG 33 HA ARG 33 -7.551 -4.981 16.832
270 1HB ARG 33 1HB ARG 33 -7.961 -7.028 14.730
271 2HB ARG 33 2HB ARG 33 -7.981 -7.612 16.388
272 1HG ARG 33 1HG ARG 33 -10.191 -7.140 16.085
273 2HG ARG 33 2HG ARG 33 -9.630 -5.603 16.744
274 1HD ARG 33 1HD ARG 33 -10.147 -4.512 14.869
275 2HD ARG 33 2HD ARG 33 -9.323 -5.706 13.868
276 HE ARG 33 HE ARG 33 -11.340 -6.702 13.443
277 1HH1 ARG 33 1HH1 ARG 33 -11.735 -4.513 16.150
278 2HH1 ARG 33 2HH1 ARG 33 -13.460 -4.660 16.173
279 1HH2 ARG 33 1HH2 ARG 33 -13.612 -6.887 13.480
280 2HH2 ARG 33 2HH2 ARG 33 -14.525 -6.007 14.658
Start of MODEL 16
1 H TYR 1 H TYR 1 -13.448 14.797 1.700
2 HA TYR 1 HA TYR 1 -12.771 12.758 0.892
3 1HB TYR 1 1HB TYR 1 -15.761 13.034 0.474
4 2HB TYR 1 2HB TYR 1 -14.905 11.531 0.801
5 HD1 TYR 1 HD1 TYR 1 -14.111 11.014 3.035
6 HD2 TYR 1 HD2 TYR 1 -16.112 14.683 2.236
7 HE1 TYR 1 HE1 TYR 1 -14.405 11.374 5.449
8 HE2 TYR 1 HE2 TYR 1 -16.408 15.054 4.647
9 HH TYR 1 HH TYR 1 -16.466 13.152 6.810
10 H LYS 2 H LYS 2 -11.549 13.187 -1.064
11 HA LYS 2 HA LYS 2 -12.788 11.967 -3.371
12 1HB LYS 2 1HB LYS 2 -12.128 13.834 -4.902
13 2HB LYS 2 2HB LYS 2 -13.442 14.229 -3.806
14 1HG LYS 2 1HG LYS 2 -12.128 15.655 -2.534
15 2HG LYS 2 2HG LYS 2 -10.622 14.933 -3.102
16 1HD LYS 2 1HD LYS 2 -10.612 16.859 -4.333
17 2HD LYS 2 2HD LYS 2 -11.498 15.808 -5.439
18 1HE LYS 2 1HE LYS 2 -13.019 17.460 -5.443
19 2HE LYS 2 2HE LYS 2 -13.515 16.779 -3.895
20 1HZ LYS 2 1HZ LYS 2 -13.200 19.150 -3.711
21 2HZ LYS 2 2HZ LYS 2 -11.614 19.028 -4.288
22 3HZ LYS 2 3HZ LYS 2 -12.023 18.354 -2.792
23 H PHE 3 H PHE 3 -10.806 10.914 -1.837
24 HA PHE 3 HA PHE 3 -8.595 10.839 -3.732
25 1HB PHE 3 1HB PHE 3 -8.244 12.454 -1.626
26 2HB PHE 3 2HB PHE 3 -7.796 10.932 -0.865
27 HD1 PHE 3 HD1 PHE 3 -6.904 13.401 -3.412
28 HD2 PHE 3 HD2 PHE 3 -5.800 9.754 -1.534
29 HE1 PHE 3 HE1 PHE 3 -4.655 13.577 -4.391
30 HE2 PHE 3 HE2 PHE 3 -3.550 9.912 -2.503
31 HZ PHE 3 HZ PHE 3 -2.974 11.833 -3.941
32 H ALA 4 H ALA 4 -8.510 8.767 -4.282
33 HA ALA 4 HA ALA 4 -8.832 6.740 -2.199
34 1HB ALA 4 1HB ALA 4 -9.563 6.529 -5.113
35 2HB ALA 4 2HB ALA 4 -10.687 6.674 -3.761
36 3HB ALA 4 3HB ALA 4 -9.693 5.228 -3.929
37 H CYS 5 H CYS 5 -7.383 5.051 -2.101
38 HA CYS 5 HA CYS 5 -4.767 5.496 -2.980
39 1HB CYS 5 1HB CYS 5 -5.966 2.838 -2.180
40 2HB CYS 5 2HB CYS 5 -4.264 3.279 -2.141
41 HG CYS 5 HG CYS 5 -4.887 4.960 -0.182
42 HA PRO 6 HA PRO 6 -4.612 3.954 -7.119
43 1HB PRO 6 1HB PRO 6 -1.996 2.745 -6.515
44 2HB PRO 6 2HB PRO 6 -2.398 4.043 -7.643
45 1HG PRO 6 1HG PRO 6 -1.058 4.515 -5.362
46 2HG PRO 6 2HG PRO 6 -2.214 5.680 -6.031
47 1HD PRO 6 1HD PRO 6 -2.566 3.745 -3.776
48 2HD PRO 6 2HD PRO 6 -3.112 5.430 -3.911
49 H GLU 7 H GLU 7 -4.292 1.871 -4.383
50 HA GLU 7 HA GLU 7 -4.572 -0.528 -6.040
51 1HB GLU 7 1HB GLU 7 -4.406 -1.218 -3.286
52 2HB GLU 7 2HB GLU 7 -3.250 -1.537 -4.565
53 1HG GLU 7 1HG GLU 7 -3.313 1.052 -3.042
54 2HG GLU 7 2HG GLU 7 -2.381 -0.346 -2.520
55 H CYS 8 H CYS 8 -6.001 0.832 -3.028
56 HA CYS 8 HA CYS 8 -8.389 -0.783 -3.552
57 1HB CYS 8 1HB CYS 8 -9.058 -0.380 -1.291
58 2HB CYS 8 2HB CYS 8 -7.402 -0.905 -1.298
59 HG CYS 8 HG CYS 8 -8.020 2.117 -0.981
60 HA PRO 9 HA PRO 9 -10.985 2.571 -4.565
61 1HB PRO 9 1HB PRO 9 -13.359 1.569 -3.864
62 2HB PRO 9 2HB PRO 9 -12.382 0.813 -5.128
63 1HG PRO 9 1HG PRO 9 -12.771 -0.012 -2.283
64 2HG PRO 9 2HG PRO 9 -12.634 -1.019 -3.735
65 1HD PRO 9 1HD PRO 9 -10.564 -0.482 -1.934
66 2HD PRO 9 2HD PRO 9 -10.359 -1.094 -3.579
67 H LYS 10 H LYS 10 -10.383 1.910 -1.304
68 HA LYS 10 HA LYS 10 -12.348 3.262 0.090
69 1HB LYS 10 1HB LYS 10 -9.626 2.366 0.612
70 2HB LYS 10 2HB LYS 10 -10.026 3.835 1.491
71 1HG LYS 10 1HG LYS 10 -11.799 1.411 1.523
72 2HG LYS 10 2HG LYS 10 -10.470 1.634 2.663
73 1HD LYS 10 1HD LYS 10 -11.884 2.790 3.941
74 2HD LYS 10 2HD LYS 10 -11.853 4.052 2.708
75 1HE LYS 10 1HE LYS 10 -14.119 3.631 2.937
76 2HE LYS 10 2HE LYS 10 -13.682 2.632 1.552
77 1HZ LYS 10 1HZ LYS 10 -13.945 1.669 4.351
78 2HZ LYS 10 2HZ LYS 10 -13.553 0.715 3.010
79 3HZ LYS 10 3HZ LYS 10 -15.080 1.432 3.118
80 H ARG 11 H ARG 11 -12.881 5.297 0.417
81 HA ARG 11 HA ARG 11 -11.256 7.398 -0.836
82 1HB ARG 11 1HB ARG 11 -13.385 8.783 -0.534
83 2HB ARG 11 2HB ARG 11 -13.435 7.500 -1.731
84 1HG ARG 11 1HG ARG 11 -14.329 6.751 0.974
85 2HG ARG 11 2HG ARG 11 -15.342 7.915 0.119
86 1HD ARG 11 1HD ARG 11 -15.020 6.187 -1.861
87 2HD ARG 11 2HD ARG 11 -14.743 5.073 -0.522
88 HE ARG 11 HE ARG 11 -16.968 5.211 0.026
89 1HH1 ARG 11 1HH1 ARG 11 -16.214 7.732 -2.286
90 2HH1 ARG 11 2HH1 ARG 11 -17.873 8.132 -2.574
91 1HH2 ARG 11 1HH2 ARG 11 -19.152 5.742 -0.363
92 2HH2 ARG 11 2HH2 ARG 11 -19.541 7.005 -1.484
93 H PHE 12 H PHE 12 -10.083 8.652 0.427
94 HA PHE 12 HA PHE 12 -10.687 8.753 3.300
95 1HB PHE 12 1HB PHE 12 -8.164 9.596 1.862
96 2HB PHE 12 2HB PHE 12 -8.386 9.518 3.600
97 HD1 PHE 12 HD1 PHE 12 -7.190 7.838 4.555
98 HD2 PHE 12 HD2 PHE 12 -8.990 7.128 0.762
99 HE1 PHE 12 HE1 PHE 12 -6.312 5.543 4.569
100 HE2 PHE 12 HE2 PHE 12 -8.120 4.830 0.777
101 HZ PHE 12 HZ PHE 12 -6.772 4.029 2.680
102 H MET 13 H MET 13 -9.370 11.089 4.004
103 HA MET 13 HA MET 13 -11.162 13.115 2.868
104 1HB MET 13 1HB MET 13 -9.602 13.077 5.456
105 2HB MET 13 2HB MET 13 -10.597 14.420 4.915
106 1HG MET 13 1HG MET 13 -12.251 13.474 6.046
107 2HG MET 13 2HG MET 13 -12.307 12.276 4.756
108 1HE MET 13 1HE MET 13 -12.402 10.195 5.021
109 2HE MET 13 2HE MET 13 -12.077 9.199 6.439
110 3HE MET 13 3HE MET 13 -10.780 9.561 5.298
111 H ARG 14 H ARG 14 -7.750 12.489 3.584
112 HA ARG 14 HA ARG 14 -7.035 14.730 1.806
113 1HB ARG 14 1HB ARG 14 -5.647 13.958 4.381
114 2HB ARG 14 2HB ARG 14 -5.070 15.172 3.251
115 1HG ARG 14 1HG ARG 14 -6.717 16.680 3.818
116 2HG ARG 14 2HG ARG 14 -7.804 15.426 4.418
117 1HD ARG 14 1HD ARG 14 -7.118 16.093 6.447
118 2HD ARG 14 2HD ARG 14 -5.679 15.142 6.089
119 HE ARG 14 HE ARG 14 -4.477 17.089 5.797
120 1HH1 ARG 14 1HH1 ARG 14 -7.880 17.856 6.131
121 2HH1 ARG 14 2HH1 ARG 14 -7.601 19.552 6.335
122 1HH2 ARG 14 1HH2 ARG 14 -4.120 19.322 6.064
123 2HH2 ARG 14 2HH2 ARG 14 -5.467 20.386 6.297
124 H SER 15 H SER 15 -5.009 14.514 0.699
125 HA SER 15 HA SER 15 -4.546 11.994 -0.417
126 1HB SER 15 1HB SER 15 -3.875 13.995 -1.597
127 2HB SER 15 2HB SER 15 -2.760 14.439 -0.308
128 HG SER 15 HG SER 15 -1.333 13.079 -1.069
129 H ASP 16 H ASP 16 -2.835 13.684 2.196
130 HA ASP 16 HA ASP 16 -0.771 11.815 2.559
131 1HB ASP 16 1HB ASP 16 -0.757 12.772 4.964
132 2HB ASP 16 2HB ASP 16 -0.392 13.850 3.624
133 H HIS 17 H HIS 17 -4.082 11.886 3.774
134 HA HIS 17 HA HIS 17 -3.925 9.955 5.776
135 1HB HIS 17 1HB HIS 17 -6.149 10.662 3.861
136 2HB HIS 17 2HB HIS 17 -6.349 9.443 5.109
137 HD1 HIS 17 HD1 HIS 17 -8.278 11.236 5.837
138 HD2 HIS 17 HD2 HIS 17 -4.327 12.337 6.489
139 HE1 HIS 17 HE1 HIS 17 -8.370 13.111 7.509
140 HE2 HIS 17 HE2 HIS 17 -5.972 13.809 7.835
141 H LEU 18 H LEU 18 -3.915 9.624 2.296
142 HA LEU 18 HA LEU 18 -4.170 6.725 2.403
143 1HB LEU 18 1HB LEU 18 -3.712 8.578 0.078
144 2HB LEU 18 2HB LEU 18 -3.994 6.856 -0.043
145 HG LEU 18 HG LEU 18 -6.233 7.344 1.119
146 1HD1 LEU 18 1HD1 LEU 18 -5.243 10.077 0.467
147 2HD1 LEU 18 2HD1 LEU 18 -6.150 9.513 1.869
148 3HD1 LEU 18 3HD1 LEU 18 -6.964 9.727 0.319
149 1HD2 LEU 18 1HD2 LEU 18 -6.690 6.721 -0.973
150 2HD2 LEU 18 2HD2 LEU 18 -5.344 7.651 -1.634
151 3HD2 LEU 18 3HD2 LEU 18 -6.881 8.444 -1.295
152 H SER 19 H SER 19 -1.861 9.157 1.224
153 HA SER 19 HA SER 19 0.187 7.663 0.335
154 1HB SER 19 1HB SER 19 0.319 10.083 0.348
155 2HB SER 19 2HB SER 19 0.405 10.113 2.110
156 HG SER 19 HG SER 19 2.464 9.651 2.009
157 H LYS 20 H LYS 20 -0.560 8.165 3.760
158 HA LYS 20 HA LYS 20 1.713 6.590 4.625
159 1HB LYS 20 1HB LYS 20 0.607 8.576 5.875
160 2HB LYS 20 2HB LYS 20 -0.597 7.396 6.374
161 1HG LYS 20 1HG LYS 20 1.369 6.008 7.224
162 2HG LYS 20 2HG LYS 20 2.327 7.478 7.032
163 1HD LYS 20 1HD LYS 20 0.623 8.649 8.466
164 2HD LYS 20 2HD LYS 20 -0.083 7.066 8.795
165 1HE LYS 20 1HE LYS 20 2.840 7.450 9.229
166 2HE LYS 20 2HE LYS 20 1.715 8.126 10.405
167 1HZ LYS 20 1HZ LYS 20 2.419 5.900 11.024
168 2HZ LYS 20 2HZ LYS 20 1.828 5.278 9.566
169 3HZ LYS 20 3HZ LYS 20 0.759 5.929 10.704
170 H HIS 21 H HIS 21 -1.730 6.163 4.087
171 HA HIS 21 HA HIS 21 -1.858 3.591 5.364
172 1HB HIS 21 1HB HIS 21 -3.929 4.543 5.477
173 2HB HIS 21 2HB HIS 21 -3.745 5.388 3.948
174 HD1 HIS 21 HD1 HIS 21 -5.721 2.805 5.379
175 HD2 HIS 21 HD2 HIS 21 -3.836 3.336 1.725
176 HE1 HIS 21 HE1 HIS 21 -6.902 1.274 3.745
177 H ILE 22 H ILE 22 -1.311 4.728 2.069
178 HA ILE 22 HA ILE 22 -1.838 2.280 0.774
179 HB ILE 22 HB ILE 22 -0.099 3.226 -0.958
180 1HG1 ILE 22 1HG1 ILE 22 -0.884 5.916 -0.309
181 2HG1 ILE 22 2HG1 ILE 22 0.006 5.198 1.031
182 1HG2 ILE 22 1HG2 ILE 22 -2.229 3.089 -1.763
183 2HG2 ILE 22 2HG2 ILE 22 -2.061 4.842 -1.684
184 3HG2 ILE 22 3HG2 ILE 22 -2.918 3.981 -0.407
185 1HD1 ILE 22 1HD1 ILE 22 1.494 6.378 -0.473
186 2HD1 ILE 22 2HD1 ILE 22 0.953 5.369 -1.814
187 3HD1 ILE 22 3HD1 ILE 22 1.844 4.649 -0.472
188 H THR 23 H THR 23 1.188 3.596 2.023
189 HA THR 23 HA THR 23 2.844 1.539 1.130
190 HB THR 23 HB THR 23 3.139 3.170 3.662
191 HG1 THR 23 HG1 THR 23 3.262 4.701 2.218
192 1HG2 THR 23 1HG2 THR 23 4.745 1.445 3.781
193 2HG2 THR 23 2HG2 THR 23 5.589 2.881 3.200
194 3HG2 THR 23 3HG2 THR 23 5.144 1.602 2.069
195 H LEU 24 H LEU 24 0.546 1.534 3.735
196 HA LEU 24 HA LEU 24 1.623 -0.998 4.761
197 1HB LEU 24 1HB LEU 24 0.020 -0.678 6.630
198 2HB LEU 24 2HB LEU 24 1.212 0.603 6.495
199 HG LEU 24 HG LEU 24 -0.767 1.663 5.027
200 1HD1 LEU 24 1HD1 LEU 24 -2.041 -0.523 6.084
201 2HD1 LEU 24 2HD1 LEU 24 -2.824 0.931 5.461
202 3HD1 LEU 24 3HD1 LEU 24 -2.500 0.774 7.188
203 1HD2 LEU 24 1HD2 LEU 24 -0.628 1.857 8.027
204 2HD2 LEU 24 2HD2 LEU 24 -1.264 3.065 6.911
205 3HD2 LEU 24 3HD2 LEU 24 0.459 2.688 6.914
206 H HIS 25 H HIS 25 -1.333 0.451 3.431
207 HA HIS 25 HA HIS 25 -2.855 -1.942 3.575
208 1HB HIS 25 1HB HIS 25 -4.534 -0.552 3.099
209 2HB HIS 25 2HB HIS 25 -3.387 0.758 2.975
210 HD1 HIS 25 HD1 HIS 25 -4.972 -1.862 0.700
211 HD2 HIS 25 HD2 HIS 25 -3.399 1.984 0.592
212 HE1 HIS 25 HE1 HIS 25 -5.455 -0.956 -1.611
213 H GLU 26 H GLU 26 -0.585 -0.623 1.276
214 HA GLU 26 HA GLU 26 -1.293 -2.609 -0.739
215 1HB GLU 26 1HB GLU 26 -0.653 -0.354 -1.488
216 2HB GLU 26 2HB GLU 26 0.907 -0.528 -0.700
217 1HG GLU 26 1HG GLU 26 0.787 -0.874 -3.225
218 2HG GLU 26 2HG GLU 26 1.679 -2.052 -2.267
219 H LEU 27 H LEU 27 0.903 -2.123 1.901
220 HA LEU 27 HA LEU 27 2.835 -4.087 1.064
221 1HB LEU 27 1HB LEU 27 3.683 -2.425 2.486
222 2HB LEU 27 2HB LEU 27 2.330 -2.546 3.590
223 1HD1 LEU 27 1HD1 LEU 27 3.532 -4.561 5.939
224 2HD1 LEU 27 2HD1 LEU 27 2.743 -5.631 4.781
225 3HD1 LEU 27 3HD1 LEU 27 2.073 -4.030 5.100
226 1HD2 LEU 27 1HD2 LEU 27 4.569 -4.856 2.056
227 2HD2 LEU 27 2HD2 LEU 27 4.018 -6.052 3.228
228 3HD2 LEU 27 3HD2 LEU 27 5.558 -5.229 3.467
229 H LEU 28 H LEU 28 0.276 -3.997 3.547
230 HA LEU 28 HA LEU 28 0.541 -6.844 4.027
231 1HB LEU 28 1HB LEU 28 -0.170 -4.749 5.619
232 2HB LEU 28 2HB LEU 28 -1.741 -5.413 5.214
233 HG LEU 28 HG LEU 28 -1.015 -6.366 7.292
234 1HD1 LEU 28 1HD1 LEU 28 -0.579 -8.479 5.197
235 2HD1 LEU 28 2HD1 LEU 28 -2.166 -7.819 5.592
236 3HD1 LEU 28 3HD1 LEU 28 -1.235 -8.677 6.821
237 1HD2 LEU 28 1HD2 LEU 28 1.447 -7.349 5.856
238 2HD2 LEU 28 2HD2 LEU 28 1.044 -7.581 7.558
239 3HD2 LEU 28 3HD2 LEU 28 1.406 -5.965 6.951
240 H GLY 29 H GLY 29 -2.146 -4.683 3.057
241 1HA GLY 29 1HA GLY 29 -3.846 -5.037 1.535
242 2HA GLY 29 2HA GLY 29 -3.039 -6.517 1.042
243 H GLU 30 H GLU 30 -4.618 -5.317 4.016
244 HA GLU 30 HA GLU 30 -6.008 -7.905 4.205
245 1HB GLU 30 1HB GLU 30 -4.475 -6.603 6.098
246 2HB GLU 30 2HB GLU 30 -6.117 -6.187 6.571
247 1HG GLU 30 1HG GLU 30 -5.876 -8.110 7.742
248 2HG GLU 30 2HG GLU 30 -6.488 -8.781 6.231
249 H GLU 31 H GLU 31 -8.176 -7.999 4.152
250 HA GLU 31 HA GLU 31 -9.629 -5.495 3.725
251 1HB GLU 31 1HB GLU 31 -9.718 -7.763 2.296
252 2HB GLU 31 2HB GLU 31 -10.989 -8.126 3.456
253 1HG GLU 31 1HG GLU 31 -10.896 -5.655 1.742
254 2HG GLU 31 2HG GLU 31 -11.807 -7.113 1.355
255 H ARG 32 H ARG 32 -10.564 -4.582 5.428
256 HA ARG 32 HA ARG 32 -11.100 -6.042 7.842
257 1HB ARG 32 1HB ARG 32 -10.954 -3.265 7.032
258 2HB ARG 32 2HB ARG 32 -12.372 -3.553 8.030
259 1HG ARG 32 1HG ARG 32 -11.106 -3.495 9.838
260 2HG ARG 32 2HG ARG 32 -10.202 -4.892 9.251
261 1HD ARG 32 1HD ARG 32 -8.490 -3.398 9.428
262 2HD ARG 32 2HD ARG 32 -9.008 -3.040 7.783
263 HE ARG 32 HE ARG 32 -9.738 -0.984 8.485
264 1HH1 ARG 32 1HH1 ARG 32 -9.090 -2.965 11.301
265 2HH1 ARG 32 2HH1 ARG 32 -9.278 -1.655 12.415
266 1HH2 ARG 32 1HH2 ARG 32 -9.981 0.736 9.960
267 2HH2 ARG 32 2HH2 ARG 32 -9.783 0.446 11.656
268 H ARG 33 H ARG 33 -13.078 -6.485 8.793
269 HA ARG 33 HA ARG 33 -15.307 -6.916 8.980
270 1HB ARG 33 1HB ARG 33 -15.759 -5.430 6.391
271 2HB ARG 33 2HB ARG 33 -16.946 -5.811 7.627
272 1HG ARG 33 1HG ARG 33 -15.930 -4.267 9.160
273 2HG ARG 33 2HG ARG 33 -14.601 -3.968 8.038
274 1HD ARG 33 1HD ARG 33 -17.216 -3.526 6.835
275 2HD ARG 33 2HD ARG 33 -16.932 -2.501 8.239
276 HE ARG 33 HE ARG 33 -15.208 -1.436 7.104
277 1HH1 ARG 33 1HH1 ARG 33 -16.509 -4.053 5.167
278 2HH1 ARG 33 2HH1 ARG 33 -15.717 -3.534 3.719
279 1HH2 ARG 33 1HH2 ARG 33 -14.176 -0.760 5.193
280 2HH2 ARG 33 2HH2 ARG 33 -14.393 -1.664 3.732
Start of MODEL 17
1 H TYR 1 H TYR 1 -12.391 15.132 0.097
2 HA TYR 1 HA TYR 1 -11.988 13.038 0.964
3 1HB TYR 1 1HB TYR 1 -14.178 11.545 1.209
4 2HB TYR 1 2HB TYR 1 -13.592 12.544 2.532
5 HD1 TYR 1 HD1 TYR 1 -14.955 14.215 3.464
6 HD2 TYR 1 HD2 TYR 1 -16.051 12.468 -0.258
7 HE1 TYR 1 HE1 TYR 1 -17.130 15.356 3.576
8 HE2 TYR 1 HE2 TYR 1 -18.228 13.606 -0.157
9 HH TYR 1 HH TYR 1 -18.948 16.069 1.403
10 H LYS 2 H LYS 2 -11.495 13.680 -1.417
11 HA LYS 2 HA LYS 2 -12.853 11.720 -3.142
12 1HB LYS 2 1HB LYS 2 -12.117 14.572 -3.762
13 2HB LYS 2 2HB LYS 2 -12.313 13.381 -5.042
14 1HG LYS 2 1HG LYS 2 -14.605 13.020 -4.439
15 2HG LYS 2 2HG LYS 2 -14.435 14.045 -3.013
16 1HD LYS 2 1HD LYS 2 -13.743 15.249 -5.631
17 2HD LYS 2 2HD LYS 2 -15.450 14.930 -5.323
18 1HE LYS 2 1HE LYS 2 -15.422 16.943 -4.329
19 2HE LYS 2 2HE LYS 2 -14.694 16.076 -2.978
20 1HZ LYS 2 1HZ LYS 2 -13.444 18.070 -3.576
21 2HZ LYS 2 2HZ LYS 2 -13.186 17.459 -5.131
22 3HZ LYS 2 3HZ LYS 2 -12.513 16.674 -3.794
23 H PHE 3 H PHE 3 -10.790 10.747 -1.925
24 HA PHE 3 HA PHE 3 -8.684 10.678 -3.960
25 1HB PHE 3 1HB PHE 3 -8.181 12.210 -1.887
26 2HB PHE 3 2HB PHE 3 -7.905 10.682 -1.063
27 HD1 PHE 3 HD1 PHE 3 -6.275 13.268 -2.531
28 HD2 PHE 3 HD2 PHE 3 -6.400 9.020 -2.705
29 HE1 PHE 3 HE1 PHE 3 -3.963 13.237 -3.359
30 HE2 PHE 3 HE2 PHE 3 -4.079 8.974 -3.523
31 HZ PHE 3 HZ PHE 3 -2.861 11.091 -3.860
32 H ALA 4 H ALA 4 -8.458 8.621 -4.563
33 HA ALA 4 HA ALA 4 -8.960 6.519 -2.593
34 1HB ALA 4 1HB ALA 4 -9.400 6.398 -5.568
35 2HB ALA 4 2HB ALA 4 -10.656 6.545 -4.340
36 3HB ALA 4 3HB ALA 4 -9.679 5.079 -4.431
37 H CYS 5 H CYS 5 -7.451 4.966 -2.281
38 HA CYS 5 HA CYS 5 -4.797 5.390 -3.052
39 1HB CYS 5 1HB CYS 5 -6.036 2.780 -2.158
40 2HB CYS 5 2HB CYS 5 -4.330 3.204 -2.092
41 HG CYS 5 HG CYS 5 -6.023 3.572 0.161
42 HA PRO 6 HA PRO 6 -4.378 3.663 -7.096
43 1HB PRO 6 1HB PRO 6 -1.910 2.308 -6.193
44 2HB PRO 6 2HB PRO 6 -2.127 3.520 -7.459
45 1HG PRO 6 1HG PRO 6 -0.946 4.135 -5.139
46 2HG PRO 6 2HG PRO 6 -2.005 5.288 -5.973
47 1HD PRO 6 1HD PRO 6 -2.585 3.552 -3.604
48 2HD PRO 6 2HD PRO 6 -3.055 5.238 -3.908
49 H GLU 7 H GLU 7 -4.198 1.600 -4.282
50 HA GLU 7 HA GLU 7 -4.647 -0.791 -5.907
51 1HB GLU 7 1HB GLU 7 -2.862 -0.851 -4.201
52 2HB GLU 7 2HB GLU 7 -4.063 -0.558 -2.953
53 1HG GLU 7 1HG GLU 7 -5.165 -2.668 -3.533
54 2HG GLU 7 2HG GLU 7 -3.931 -2.963 -4.756
55 H CYS 8 H CYS 8 -6.068 0.820 -3.014
56 HA CYS 8 HA CYS 8 -8.529 -0.705 -3.534
57 1HB CYS 8 1HB CYS 8 -9.193 -0.334 -1.277
58 2HB CYS 8 2HB CYS 8 -7.558 -0.923 -1.270
59 HG CYS 8 HG CYS 8 -8.015 2.120 -0.923
60 HA PRO 9 HA PRO 9 -10.906 2.821 -4.494
61 1HB PRO 9 1HB PRO 9 -13.343 1.953 -3.824
62 2HB PRO 9 2HB PRO 9 -12.407 1.162 -5.098
63 1HG PRO 9 1HG PRO 9 -12.864 0.308 -2.272
64 2HG PRO 9 2HG PRO 9 -12.780 -0.677 -3.742
65 1HD PRO 9 1HD PRO 9 -10.692 -0.299 -1.918
66 2HD PRO 9 2HD PRO 9 -10.512 -0.897 -3.570
67 H LYS 10 H LYS 10 -10.335 2.076 -1.251
68 HA LYS 10 HA LYS 10 -12.205 3.471 0.212
69 1HB LYS 10 1HB LYS 10 -9.958 2.131 0.845
70 2HB LYS 10 2HB LYS 10 -9.387 3.779 1.073
71 1HG LYS 10 1HG LYS 10 -11.953 2.891 2.322
72 2HG LYS 10 2HG LYS 10 -10.405 2.488 3.069
73 1HD LYS 10 1HD LYS 10 -9.862 4.976 2.884
74 2HD LYS 10 2HD LYS 10 -11.577 5.207 2.541
75 1HE LYS 10 1HE LYS 10 -12.133 4.118 4.672
76 2HE LYS 10 2HE LYS 10 -10.413 3.925 5.012
77 1HZ LYS 10 1HZ LYS 10 -11.816 6.520 4.655
78 2HZ LYS 10 2HZ LYS 10 -10.174 6.326 5.013
79 3HZ LYS 10 3HZ LYS 10 -11.347 5.855 6.139
80 H ARG 11 H ARG 11 -12.783 5.514 0.376
81 HA ARG 11 HA ARG 11 -11.112 7.569 -0.875
82 1HB ARG 11 1HB ARG 11 -13.202 8.995 -0.609
83 2HB ARG 11 2HB ARG 11 -13.305 7.658 -1.745
84 1HG ARG 11 1HG ARG 11 -14.705 6.426 -0.368
85 2HG ARG 11 2HG ARG 11 -14.234 7.321 1.078
86 1HD ARG 11 1HD ARG 11 -15.732 8.960 0.706
87 2HD ARG 11 2HD ARG 11 -15.470 8.943 -1.037
88 HE ARG 11 HE ARG 11 -17.486 7.516 0.433
89 1HH1 ARG 11 1HH1 ARG 11 -15.622 7.577 -2.533
90 2HH1 ARG 11 2HH1 ARG 11 -16.782 6.654 -3.424
91 1HH2 ARG 11 1HH2 ARG 11 -19.008 6.298 -0.748
92 2HH2 ARG 11 2HH2 ARG 11 -18.706 5.927 -2.412
93 H PHE 12 H PHE 12 -9.792 8.661 0.410
94 HA PHE 12 HA PHE 12 -10.447 8.939 3.254
95 1HB PHE 12 1HB PHE 12 -7.860 9.599 1.828
96 2HB PHE 12 2HB PHE 12 -8.121 9.618 3.564
97 HD1 PHE 12 HD1 PHE 12 -7.288 7.840 4.735
98 HD2 PHE 12 HD2 PHE 12 -8.554 7.217 0.721
99 HE1 PHE 12 HE1 PHE 12 -6.541 5.500 4.864
100 HE2 PHE 12 HE2 PHE 12 -7.815 4.879 0.846
101 HZ PHE 12 HZ PHE 12 -6.800 4.013 2.917
102 H MET 13 H MET 13 -9.804 11.082 4.268
103 HA MET 13 HA MET 13 -11.201 13.181 2.879
104 1HB MET 13 1HB MET 13 -10.061 12.832 5.617
105 2HB MET 13 2HB MET 13 -10.419 14.458 5.050
106 1HG MET 13 1HG MET 13 -12.735 13.803 4.637
107 2HG MET 13 2HG MET 13 -12.375 12.176 5.211
108 1HE MET 13 1HE MET 13 -13.948 11.868 6.997
109 2HE MET 13 2HE MET 13 -14.814 13.377 6.714
110 3HE MET 13 3HE MET 13 -14.284 12.957 8.343
111 H ARG 14 H ARG 14 -7.845 12.456 3.673
112 HA ARG 14 HA ARG 14 -7.032 14.771 2.041
113 1HB ARG 14 1HB ARG 14 -5.827 13.887 4.667
114 2HB ARG 14 2HB ARG 14 -5.060 15.031 3.578
115 1HG ARG 14 1HG ARG 14 -6.454 16.717 4.143
116 2HG ARG 14 2HG ARG 14 -7.835 15.644 4.379
117 1HD ARG 14 1HD ARG 14 -7.227 15.122 6.546
118 2HD ARG 14 2HD ARG 14 -5.532 15.525 6.277
119 HE ARG 14 HE ARG 14 -5.995 17.727 6.756
120 1HH1 ARG 14 1HH1 ARG 14 -9.004 15.958 6.442
121 2HH1 ARG 14 2HH1 ARG 14 -9.968 17.243 7.085
122 1HH2 ARG 14 1HH2 ARG 14 -7.272 19.414 7.605
123 2HH2 ARG 14 2HH2 ARG 14 -8.987 19.205 7.744
124 H SER 15 H SER 15 -5.114 14.527 0.857
125 HA SER 15 HA SER 15 -4.627 12.034 -0.269
126 1HB SER 15 1HB SER 15 -2.605 13.072 -1.242
127 2HB SER 15 2HB SER 15 -4.004 14.135 -1.365
128 HG SER 15 HG SER 15 -2.152 15.255 -0.636
129 H ASP 16 H ASP 16 -3.019 13.637 2.446
130 HA ASP 16 HA ASP 16 -0.890 11.794 2.715
131 1HB ASP 16 1HB ASP 16 -0.905 12.687 5.163
132 2HB ASP 16 2HB ASP 16 -0.486 13.777 3.849
133 H HIS 17 H HIS 17 -4.196 11.818 3.928
134 HA HIS 17 HA HIS 17 -4.023 9.819 5.870
135 1HB HIS 17 1HB HIS 17 -6.277 10.572 4.002
136 2HB HIS 17 2HB HIS 17 -6.453 9.359 5.262
137 HD1 HIS 17 HD1 HIS 17 -8.363 11.305 5.870
138 HD2 HIS 17 HD2 HIS 17 -4.382 12.111 6.740
139 HE1 HIS 17 HE1 HIS 17 -8.409 13.143 7.581
140 HE2 HIS 17 HE2 HIS 17 -5.988 13.581 8.132
141 H LEU 18 H LEU 18 -3.944 9.629 2.399
142 HA LEU 18 HA LEU 18 -4.257 6.728 2.379
143 1HB LEU 18 1HB LEU 18 -3.594 8.474 0.030
144 2HB LEU 18 2HB LEU 18 -4.278 6.865 0.017
145 HG LEU 18 HG LEU 18 -6.242 8.147 1.305
146 1HD1 LEU 18 1HD1 LEU 18 -5.037 10.309 1.152
147 2HD1 LEU 18 2HD1 LEU 18 -6.612 10.325 0.367
148 3HD1 LEU 18 3HD1 LEU 18 -5.143 10.200 -0.600
149 1HD2 LEU 18 1HD2 LEU 18 -6.849 6.902 -0.516
150 2HD2 LEU 18 2HD2 LEU 18 -5.644 7.659 -1.558
151 3HD2 LEU 18 3HD2 LEU 18 -7.113 8.535 -1.129
152 H SER 19 H SER 19 -1.954 9.163 1.203
153 HA SER 19 HA SER 19 0.107 7.694 0.329
154 1HB SER 19 1HB SER 19 0.225 10.112 0.347
155 2HB SER 19 2HB SER 19 0.310 10.138 2.109
156 HG SER 19 HG SER 19 2.370 9.676 2.012
157 H LYS 20 H LYS 20 -0.612 8.189 3.766
158 HA LYS 20 HA LYS 20 1.678 6.626 4.600
159 1HB LYS 20 1HB LYS 20 0.566 8.587 5.877
160 2HB LYS 20 2HB LYS 20 -0.628 7.395 6.373
161 1HG LYS 20 1HG LYS 20 0.775 6.394 7.817
162 2HG LYS 20 2HG LYS 20 2.177 6.602 6.767
163 1HD LYS 20 1HD LYS 20 2.758 8.061 8.415
164 2HD LYS 20 2HD LYS 20 1.794 9.153 7.418
165 1HE LYS 20 1HE LYS 20 -0.186 8.491 8.852
166 2HE LYS 20 2HE LYS 20 0.973 7.724 9.936
167 1HZ LYS 20 1HZ LYS 20 0.466 9.946 10.682
168 2HZ LYS 20 2HZ LYS 20 0.910 10.598 9.187
169 3HZ LYS 20 3HZ LYS 20 2.079 9.881 10.177
170 H HIS 21 H HIS 21 -1.783 6.178 4.160
171 HA HIS 21 HA HIS 21 -1.866 3.585 5.379
172 1HB HIS 21 1HB HIS 21 -3.946 4.519 5.512
173 2HB HIS 21 2HB HIS 21 -3.781 5.373 3.986
174 HD1 HIS 21 HD1 HIS 21 -5.714 2.756 5.420
175 HD2 HIS 21 HD2 HIS 21 -3.869 3.328 1.752
176 HE1 HIS 21 HE1 HIS 21 -6.900 1.232 3.785
177 H ILE 22 H ILE 22 -1.361 4.767 2.086
178 HA ILE 22 HA ILE 22 -1.868 2.313 0.793
179 HB ILE 22 HB ILE 22 -0.211 3.280 -0.991
180 1HG1 ILE 22 1HG1 ILE 22 -0.947 5.968 -0.409
181 2HG1 ILE 22 2HG1 ILE 22 -0.120 5.299 0.996
182 1HG2 ILE 22 1HG2 ILE 22 -3.002 4.070 -0.328
183 2HG2 ILE 22 2HG2 ILE 22 -2.388 3.115 -1.678
184 3HG2 ILE 22 3HG2 ILE 22 -2.188 4.867 -1.673
185 1HD1 ILE 22 1HD1 ILE 22 1.822 4.817 -0.255
186 2HD1 ILE 22 2HD1 ILE 22 1.337 6.458 -0.679
187 3HD1 ILE 22 3HD1 ILE 22 0.993 5.124 -1.781
188 H THR 23 H THR 23 1.181 3.692 1.935
189 HA THR 23 HA THR 23 2.855 1.685 1.012
190 HB THR 23 HB THR 23 3.160 3.242 3.589
191 HG1 THR 23 HG1 THR 23 3.188 4.830 2.205
192 1HG2 THR 23 1HG2 THR 23 5.606 3.058 3.038
193 2HG2 THR 23 2HG2 THR 23 5.167 1.801 1.882
194 3HG2 THR 23 3HG2 THR 23 4.830 1.577 3.599
195 H LEU 24 H LEU 24 0.572 1.515 3.605
196 HA LEU 24 HA LEU 24 1.733 -1.027 4.531
197 1HB LEU 24 1HB LEU 24 0.169 -0.807 6.446
198 2HB LEU 24 2HB LEU 24 1.329 0.507 6.338
199 HG LEU 24 HG LEU 24 -0.717 1.525 4.913
200 1HD1 LEU 24 1HD1 LEU 24 -2.742 0.772 5.432
201 2HD1 LEU 24 2HD1 LEU 24 -2.343 0.611 7.146
202 3HD1 LEU 24 3HD1 LEU 24 -1.909 -0.673 6.015
203 1HD2 LEU 24 1HD2 LEU 24 0.553 2.606 6.730
204 2HD2 LEU 24 2HD2 LEU 24 -0.438 1.739 7.904
205 3HD2 LEU 24 3HD2 LEU 24 -1.178 2.922 6.826
206 H HIS 25 H HIS 25 -1.274 0.460 3.369
207 HA HIS 25 HA HIS 25 -2.774 -1.939 3.432
208 1HB HIS 25 1HB HIS 25 -4.470 -0.531 3.090
209 2HB HIS 25 2HB HIS 25 -3.338 0.788 2.922
210 HD1 HIS 25 HD1 HIS 25 -5.040 -1.815 0.722
211 HD2 HIS 25 HD2 HIS 25 -3.425 2.010 0.529
212 HE1 HIS 25 HE1 HIS 25 -5.602 -0.914 -1.572
213 H GLU 26 H GLU 26 -0.625 -0.480 1.068
214 HA GLU 26 HA GLU 26 -1.450 -2.158 -1.093
215 1HB GLU 26 1HB GLU 26 0.399 -1.325 -2.293
216 2HB GLU 26 2HB GLU 26 -0.106 0.013 -1.272
217 1HG GLU 26 1HG GLU 26 1.688 -0.669 0.342
218 2HG GLU 26 2HG GLU 26 2.250 -1.811 -0.878
219 H LEU 27 H LEU 27 0.402 -2.604 1.773
220 HA LEU 27 HA LEU 27 1.754 -4.993 0.755
221 1HB LEU 27 1HB LEU 27 1.865 -3.430 3.308
222 2HB LEU 27 2HB LEU 27 2.445 -5.083 3.281
223 1HD1 LEU 27 1HD1 LEU 27 3.823 -5.073 0.504
224 2HD1 LEU 27 2HD1 LEU 27 4.392 -5.720 2.043
225 3HD1 LEU 27 3HD1 LEU 27 5.360 -4.528 1.177
226 1HD2 LEU 27 1HD2 LEU 27 3.447 -2.819 0.226
227 2HD2 LEU 27 2HD2 LEU 27 4.274 -1.819 1.419
228 3HD2 LEU 27 3HD2 LEU 27 2.522 -2.020 1.497
229 H LEU 28 H LEU 28 -0.310 -4.259 3.574
230 HA LEU 28 HA LEU 28 -1.341 -7.012 3.463
231 1HB LEU 28 1HB LEU 28 -1.138 -4.991 5.682
232 2HB LEU 28 2HB LEU 28 -2.212 -6.370 5.804
233 HG LEU 28 HG LEU 28 -0.206 -6.918 6.965
234 1HD1 LEU 28 1HD1 LEU 28 0.431 -8.930 5.914
235 2HD1 LEU 28 2HD1 LEU 28 0.060 -8.299 4.309
236 3HD1 LEU 28 3HD1 LEU 28 -1.245 -8.647 5.443
237 1HD2 LEU 28 1HD2 LEU 28 1.458 -6.500 4.511
238 2HD2 LEU 28 2HD2 LEU 28 1.961 -6.612 6.197
239 3HD2 LEU 28 3HD2 LEU 28 1.133 -5.167 5.619
240 H GLY 29 H GLY 29 -3.422 -7.393 2.964
241 1HA GLY 29 1HA GLY 29 -5.103 -5.118 2.272
242 2HA GLY 29 2HA GLY 29 -5.426 -6.805 1.903
243 H GLU 30 H GLU 30 -5.067 -4.730 4.793
244 HA GLU 30 HA GLU 30 -7.702 -5.329 5.710
245 1HB GLU 30 1HB GLU 30 -6.706 -7.444 6.340
246 2HB GLU 30 2HB GLU 30 -5.371 -6.623 7.134
247 1HG GLU 30 1HG GLU 30 -6.917 -7.453 8.778
248 2HG GLU 30 2HG GLU 30 -6.942 -5.690 8.777
249 H GLU 31 H GLU 31 -8.346 -3.518 6.650
250 HA GLU 31 HA GLU 31 -6.381 -1.669 7.758
251 1HB GLU 31 1HB GLU 31 -9.250 -1.451 6.914
252 2HB GLU 31 2HB GLU 31 -8.581 -0.253 8.013
253 1HG GLU 31 1HG GLU 31 -6.682 -0.144 6.188
254 2HG GLU 31 2HG GLU 31 -7.969 -0.760 5.153
255 H ARG 32 H ARG 32 -7.536 -0.348 9.734
256 HA ARG 32 HA ARG 32 -7.302 -1.995 11.970
257 1HB ARG 32 1HB ARG 32 -7.082 0.501 11.945
258 2HB ARG 32 2HB ARG 32 -8.833 0.608 11.848
259 1HG ARG 32 1HG ARG 32 -7.920 -1.074 14.042
260 2HG ARG 32 2HG ARG 32 -7.338 0.588 14.149
261 1HD ARG 32 1HD ARG 32 -9.716 1.327 13.764
262 2HD ARG 32 2HD ARG 32 -10.191 -0.360 13.952
263 HE ARG 32 HE ARG 32 -9.882 -0.168 16.213
264 1HH1 ARG 32 1HH1 ARG 32 -8.391 2.589 14.647
265 2HH1 ARG 32 2HH1 ARG 32 -8.088 3.422 16.134
266 1HH2 ARG 32 1HH2 ARG 32 -9.480 0.937 18.167
267 2HH2 ARG 32 2HH2 ARG 32 -8.704 2.485 18.130
268 H ARG 33 H ARG 33 -8.572 -3.611 12.569
269 HA ARG 33 HA ARG 33 -11.296 -3.829 11.693
270 1HB ARG 33 1HB ARG 33 -9.574 -5.517 13.504
271 2HB ARG 33 2HB ARG 33 -11.262 -5.894 13.189
272 1HG ARG 33 1HG ARG 33 -9.602 -5.452 10.800
273 2HG ARG 33 2HG ARG 33 -9.194 -6.873 11.763
274 1HD ARG 33 1HD ARG 33 -10.803 -7.877 10.565
275 2HD ARG 33 2HD ARG 33 -11.903 -7.057 11.670
276 HE ARG 33 HE ARG 33 -11.336 -6.334 8.900
277 1HH1 ARG 33 1HH1 ARG 33 -13.012 -5.573 11.882
278 2HH1 ARG 33 2HH1 ARG 33 -14.137 -4.505 11.116
279 1HH2 ARG 33 1HH2 ARG 33 -12.821 -4.924 7.903
280 2HH2 ARG 33 2HH2 ARG 33 -14.031 -4.136 8.860
Start of MODEL 18
1 H TYR 1 H TYR 1 -12.318 14.438 0.981
2 HA TYR 1 HA TYR 1 -12.445 12.083 1.599
3 1HB TYR 1 1HB TYR 1 -15.395 12.244 1.107
4 2HB TYR 1 2HB TYR 1 -14.478 11.035 1.994
5 HD1 TYR 1 HD1 TYR 1 -13.808 11.461 4.333
6 HD2 TYR 1 HD2 TYR 1 -16.251 14.206 2.190
7 HE1 TYR 1 HE1 TYR 1 -14.448 12.534 6.449
8 HE2 TYR 1 HE2 TYR 1 -16.897 15.287 4.300
9 HH TYR 1 HH TYR 1 -15.498 15.333 6.851
10 H LYS 2 H LYS 2 -11.401 13.054 -0.475
11 HA LYS 2 HA LYS 2 -12.791 11.844 -2.745
12 1HB LYS 2 1HB LYS 2 -11.806 14.695 -2.653
13 2HB LYS 2 2HB LYS 2 -12.103 13.842 -4.163
14 1HG LYS 2 1HG LYS 2 -14.452 13.456 -3.366
15 2HG LYS 2 2HG LYS 2 -14.099 14.559 -2.034
16 1HD LYS 2 1HD LYS 2 -13.362 16.204 -3.873
17 2HD LYS 2 2HD LYS 2 -14.234 15.137 -4.975
18 1HE LYS 2 1HE LYS 2 -15.558 16.151 -2.491
19 2HE LYS 2 2HE LYS 2 -15.453 17.176 -3.920
20 1HZ LYS 2 1HZ LYS 2 -17.526 15.956 -3.886
21 2HZ LYS 2 2HZ LYS 2 -16.700 14.482 -3.800
22 3HZ LYS 2 3HZ LYS 2 -16.577 15.441 -5.189
23 H PHE 3 H PHE 3 -10.728 10.638 -1.460
24 HA PHE 3 HA PHE 3 -8.672 10.674 -3.520
25 1HB PHE 3 1HB PHE 3 -8.123 12.156 -1.360
26 2HB PHE 3 2HB PHE 3 -7.633 10.587 -0.729
27 HD1 PHE 3 HD1 PHE 3 -7.157 12.776 -3.711
28 HD2 PHE 3 HD2 PHE 3 -5.481 9.852 -1.118
29 HE1 PHE 3 HE1 PHE 3 -4.995 12.990 -4.867
30 HE2 PHE 3 HE2 PHE 3 -3.319 10.054 -2.266
31 HZ PHE 3 HZ PHE 3 -3.073 11.629 -4.146
32 H ALA 4 H ALA 4 -8.487 8.647 -4.176
33 HA ALA 4 HA ALA 4 -8.818 6.491 -2.230
34 1HB ALA 4 1HB ALA 4 -9.480 6.460 -5.167
35 2HB ALA 4 2HB ALA 4 -10.635 6.504 -3.835
36 3HB ALA 4 3HB ALA 4 -9.619 5.083 -4.074
37 H CYS 5 H CYS 5 -7.291 4.917 -2.103
38 HA CYS 5 HA CYS 5 -4.689 5.423 -2.987
39 1HB CYS 5 1HB CYS 5 -5.780 2.712 -2.223
40 2HB CYS 5 2HB CYS 5 -4.117 3.270 -2.092
41 HG CYS 5 HG CYS 5 -6.321 3.741 -0.059
42 HA PRO 6 HA PRO 6 -4.389 3.868 -7.105
43 1HB PRO 6 1HB PRO 6 -2.018 2.489 -7.014
44 2HB PRO 6 2HB PRO 6 -2.136 4.248 -7.129
45 1HG PRO 6 1HG PRO 6 -1.658 2.532 -4.725
46 2HG PRO 6 2HG PRO 6 -0.889 4.064 -5.180
47 1HD PRO 6 1HD PRO 6 -2.830 3.949 -3.324
48 2HD PRO 6 2HD PRO 6 -2.679 5.328 -4.432
49 H GLU 7 H GLU 7 -4.303 1.660 -4.412
50 HA GLU 7 HA GLU 7 -4.795 -0.626 -6.174
51 1HB GLU 7 1HB GLU 7 -3.060 -1.027 -4.573
52 2HB GLU 7 2HB GLU 7 -4.068 -0.460 -3.252
53 1HG GLU 7 1HG GLU 7 -5.447 -2.373 -3.357
54 2HG GLU 7 2HG GLU 7 -4.765 -2.866 -4.906
55 H CYS 8 H CYS 8 -6.151 0.793 -3.154
56 HA CYS 8 HA CYS 8 -8.666 -0.581 -3.780
57 1HB CYS 8 1HB CYS 8 -9.343 -0.197 -1.497
58 2HB CYS 8 2HB CYS 8 -7.790 -0.978 -1.537
59 HG CYS 8 HG CYS 8 -7.549 0.850 0.218
60 HA PRO 9 HA PRO 9 -10.880 3.090 -4.605
61 1HB PRO 9 1HB PRO 9 -13.362 2.220 -4.181
62 2HB PRO 9 2HB PRO 9 -12.349 1.492 -5.436
63 1HG PRO 9 1HG PRO 9 -13.012 0.470 -2.705
64 2HG PRO 9 2HG PRO 9 -12.860 -0.421 -4.230
65 1HD PRO 9 1HD PRO 9 -10.875 -0.213 -2.263
66 2HD PRO 9 2HD PRO 9 -10.614 -0.710 -3.941
67 H LYS 10 H LYS 10 -10.440 2.101 -1.440
68 HA LYS 10 HA LYS 10 -12.406 3.365 0.042
69 1HB LYS 10 1HB LYS 10 -9.596 2.547 0.549
70 2HB LYS 10 2HB LYS 10 -10.322 3.669 1.691
71 1HG LYS 10 1HG LYS 10 -11.978 1.340 1.005
72 2HG LYS 10 2HG LYS 10 -10.483 0.979 1.871
73 1HD LYS 10 1HD LYS 10 -12.063 1.306 3.565
74 2HD LYS 10 2HD LYS 10 -11.192 2.838 3.486
75 1HE LYS 10 1HE LYS 10 -12.959 3.915 2.380
76 2HE LYS 10 2HE LYS 10 -13.729 2.389 1.947
77 1HZ LYS 10 1HZ LYS 10 -14.249 2.028 4.278
78 2HZ LYS 10 2HZ LYS 10 -14.901 3.494 3.745
79 3HZ LYS 10 3HZ LYS 10 -13.503 3.488 4.698
80 H ARG 11 H ARG 11 -12.968 5.394 0.329
81 HA ARG 11 HA ARG 11 -11.156 7.525 -0.537
82 1HB ARG 11 1HB ARG 11 -13.145 8.986 -0.465
83 2HB ARG 11 2HB ARG 11 -13.378 7.605 -1.526
84 1HG ARG 11 1HG ARG 11 -14.634 6.485 0.303
85 2HG ARG 11 2HG ARG 11 -14.497 7.970 1.246
86 1HD ARG 11 1HD ARG 11 -16.601 8.119 0.239
87 2HD ARG 11 2HD ARG 11 -15.565 9.131 -0.765
88 HE ARG 11 HE ARG 11 -15.874 7.675 -2.507
89 1HH1 ARG 11 1HH1 ARG 11 -16.988 6.145 0.441
90 2HH1 ARG 11 2HH1 ARG 11 -17.704 4.802 -0.383
91 1HH2 ARG 11 1HH2 ARG 11 -16.821 5.904 -3.585
92 2HH2 ARG 11 2HH2 ARG 11 -17.609 4.664 -2.668
93 H PHE 12 H PHE 12 -9.991 8.532 0.952
94 HA PHE 12 HA PHE 12 -10.752 8.291 3.758
95 1HB PHE 12 1HB PHE 12 -8.207 9.392 2.539
96 2HB PHE 12 2HB PHE 12 -8.492 9.133 4.252
97 HD1 PHE 12 HD1 PHE 12 -7.294 7.376 5.084
98 HD2 PHE 12 HD2 PHE 12 -8.909 7.045 1.160
99 HE1 PHE 12 HE1 PHE 12 -6.362 5.108 4.891
100 HE2 PHE 12 HE2 PHE 12 -7.984 4.778 0.964
101 HZ PHE 12 HZ PHE 12 -6.702 3.798 2.829
102 H MET 13 H MET 13 -8.845 11.057 2.939
103 HA MET 13 HA MET 13 -11.080 12.887 2.807
104 1HB MET 13 1HB MET 13 -9.156 13.002 5.139
105 2HB MET 13 2HB MET 13 -10.397 14.191 4.778
106 1HG MET 13 1HG MET 13 -12.088 12.362 5.057
107 2HG MET 13 2HG MET 13 -10.780 11.342 5.653
108 1HE MET 13 1HE MET 13 -12.873 11.225 7.202
109 2HE MET 13 2HE MET 13 -13.119 12.277 8.596
110 3HE MET 13 3HE MET 13 -11.766 11.146 8.573
111 H ARG 14 H ARG 14 -7.576 12.627 3.392
112 HA ARG 14 HA ARG 14 -7.153 14.761 1.400
113 1HB ARG 14 1HB ARG 14 -5.545 14.189 3.899
114 2HB ARG 14 2HB ARG 14 -5.099 15.362 2.669
115 1HG ARG 14 1HG ARG 14 -6.749 16.837 3.278
116 2HG ARG 14 2HG ARG 14 -7.769 15.576 3.971
117 1HD ARG 14 1HD ARG 14 -7.021 16.378 5.934
118 2HD ARG 14 2HD ARG 14 -5.596 15.405 5.574
119 HE ARG 14 HE ARG 14 -5.269 17.931 4.406
120 1HH1 ARG 14 1HH1 ARG 14 -5.402 16.468 7.584
121 2HH1 ARG 14 2HH1 ARG 14 -4.387 17.667 8.312
122 1HH2 ARG 14 1HH2 ARG 14 -3.933 19.507 5.370
123 2HH2 ARG 14 2HH2 ARG 14 -3.553 19.393 7.056
124 H SER 15 H SER 15 -4.789 14.676 0.568
125 HA SER 15 HA SER 15 -4.430 12.178 -0.717
126 1HB SER 15 1HB SER 15 -2.353 13.222 -1.620
127 2HB SER 15 2HB SER 15 -3.783 14.223 -1.839
128 HG SER 15 HG SER 15 -1.563 14.611 -0.199
129 H ASP 16 H ASP 16 -2.810 13.747 2.008
130 HA ASP 16 HA ASP 16 -0.755 11.781 2.247
131 1HB ASP 16 1HB ASP 16 -1.512 13.292 4.675
132 2HB ASP 16 2HB ASP 16 0.072 13.019 3.969
133 H HIS 17 H HIS 17 -4.009 12.098 3.523
134 HA HIS 17 HA HIS 17 -3.958 10.330 5.655
135 1HB HIS 17 1HB HIS 17 -6.092 11.021 3.652
136 2HB HIS 17 2HB HIS 17 -6.388 9.805 4.889
137 HD1 HIS 17 HD1 HIS 17 -8.174 11.282 6.030
138 HD2 HIS 17 HD2 HIS 17 -4.397 13.006 5.877
139 HE1 HIS 17 HE1 HIS 17 -8.271 13.257 7.585
140 HE2 HIS 17 HE2 HIS 17 -5.937 14.203 7.572
141 H LEU 18 H LEU 18 -4.072 9.673 2.201
142 HA LEU 18 HA LEU 18 -4.312 6.803 2.572
143 1HB LEU 18 1HB LEU 18 -3.834 8.489 0.128
144 2HB LEU 18 2HB LEU 18 -3.983 6.749 0.097
145 HG LEU 18 HG LEU 18 -6.298 6.951 0.919
146 1HD1 LEU 18 1HD1 LEU 18 -7.329 9.255 0.707
147 2HD1 LEU 18 2HD1 LEU 18 -5.683 9.885 0.744
148 3HD1 LEU 18 3HD1 LEU 18 -6.310 8.983 2.122
149 1HD2 LEU 18 1HD2 LEU 18 -6.716 8.598 -1.313
150 2HD2 LEU 18 2HD2 LEU 18 -6.729 6.837 -1.246
151 3HD2 LEU 18 3HD2 LEU 18 -5.233 7.697 -1.616
152 H SER 19 H SER 19 -1.934 9.175 1.475
153 HA SER 19 HA SER 19 0.161 7.686 0.659
154 1HB SER 19 1HB SER 19 0.319 10.089 0.692
155 2HB SER 19 2HB SER 19 0.236 10.127 2.454
156 HG SER 19 HG SER 19 2.359 9.400 0.773
157 H LYS 20 H LYS 20 -0.819 8.120 4.025
158 HA LYS 20 HA LYS 20 1.417 6.596 5.047
159 1HB LYS 20 1HB LYS 20 0.382 8.483 6.307
160 2HB LYS 20 2HB LYS 20 -1.083 7.527 6.472
161 1HG LYS 20 1HG LYS 20 0.870 5.841 7.429
162 2HG LYS 20 2HG LYS 20 1.393 7.429 7.989
163 1HD LYS 20 1HD LYS 20 -0.004 6.586 9.692
164 2HD LYS 20 2HD LYS 20 -0.986 7.760 8.815
165 1HE LYS 20 1HE LYS 20 -2.476 6.034 8.942
166 2HE LYS 20 2HE LYS 20 -1.677 5.623 7.426
167 1HZ LYS 20 1HZ LYS 20 -1.870 3.693 8.844
168 2HZ LYS 20 2HZ LYS 20 -1.044 4.478 10.093
169 3HZ LYS 20 3HZ LYS 20 -0.239 4.101 8.655
170 H HIS 21 H HIS 21 -1.946 6.039 4.198
171 HA HIS 21 HA HIS 21 -2.040 3.433 5.438
172 1HB HIS 21 1HB HIS 21 -4.152 4.311 5.465
173 2HB HIS 21 2HB HIS 21 -3.935 5.169 3.947
174 HD1 HIS 21 HD1 HIS 21 -5.797 2.439 5.299
175 HD2 HIS 21 HD2 HIS 21 -3.875 3.166 1.696
176 HE1 HIS 21 HE1 HIS 21 -6.855 0.884 3.605
177 H ILE 22 H ILE 22 -1.353 4.700 2.224
178 HA ILE 22 HA ILE 22 -1.701 2.259 0.843
179 HB ILE 22 HB ILE 22 0.016 3.336 -0.805
180 1HG1 ILE 22 1HG1 ILE 22 -0.866 5.974 -0.085
181 2HG1 ILE 22 2HG1 ILE 22 0.005 5.234 1.251
182 1HG2 ILE 22 1HG2 ILE 22 -2.120 3.134 -1.625
183 2HG2 ILE 22 2HG2 ILE 22 -1.961 4.890 -1.563
184 3HG2 ILE 22 3HG2 ILE 22 -2.835 4.039 -0.289
185 1HD1 ILE 22 1HD1 ILE 22 1.921 4.843 -0.154
186 2HD1 ILE 22 2HD1 ILE 22 1.458 6.543 -0.234
187 3HD1 ILE 22 3HD1 ILE 22 1.044 5.454 -1.558
188 H THR 23 H THR 23 1.162 3.722 2.285
189 HA THR 23 HA THR 23 3.027 1.881 1.390
190 HB THR 23 HB THR 23 3.028 3.255 4.087
191 HG1 THR 23 HG1 THR 23 3.062 4.952 2.843
192 1HG2 THR 23 1HG2 THR 23 5.237 2.056 2.449
193 2HG2 THR 23 2HG2 THR 23 4.806 1.722 4.126
194 3HG2 THR 23 3HG2 THR 23 5.522 3.273 3.693
195 H LEU 24 H LEU 24 0.546 1.414 3.739
196 HA LEU 24 HA LEU 24 1.750 -1.130 4.602
197 1HB LEU 24 1HB LEU 24 -0.002 -1.097 6.379
198 2HB LEU 24 2HB LEU 24 1.141 0.234 6.472
199 HG LEU 24 HG LEU 24 -0.804 1.319 4.939
200 1HD1 LEU 24 1HD1 LEU 24 -2.037 -0.951 5.804
201 2HD1 LEU 24 2HD1 LEU 24 -2.857 0.524 5.291
202 3HD1 LEU 24 3HD1 LEU 24 -2.554 0.234 7.005
203 1HD2 LEU 24 1HD2 LEU 24 -0.787 1.377 7.948
204 2HD2 LEU 24 2HD2 LEU 24 -1.402 2.621 6.859
205 3HD2 LEU 24 3HD2 LEU 24 0.328 2.284 6.924
206 H HIS 25 H HIS 25 -1.190 0.313 3.259
207 HA HIS 25 HA HIS 25 -2.558 -2.176 3.014
208 1HB HIS 25 1HB HIS 25 -4.306 -0.781 2.883
209 2HB HIS 25 2HB HIS 25 -3.233 0.594 2.752
210 HD1 HIS 25 HD1 HIS 25 -5.168 -1.827 0.591
211 HD2 HIS 25 HD2 HIS 25 -3.141 1.797 0.301
212 HE1 HIS 25 HE1 HIS 25 -5.746 -0.863 -1.675
213 H GLU 26 H GLU 26 -0.449 -0.299 0.949
214 HA GLU 26 HA GLU 26 -1.081 -1.948 -1.370
215 1HB GLU 26 1HB GLU 26 -0.677 0.480 -1.643
216 2HB GLU 26 2HB GLU 26 0.959 0.263 -1.042
217 1HG GLU 26 1HG GLU 26 1.163 0.378 -3.364
218 2HG GLU 26 2HG GLU 26 1.309 -1.334 -2.973
219 H LEU 27 H LEU 27 1.143 -1.890 1.267
220 HA LEU 27 HA LEU 27 2.934 -3.747 -0.169
221 1HB LEU 27 1HB LEU 27 3.411 -2.147 2.345
222 2HB LEU 27 2HB LEU 27 4.557 -3.272 1.644
223 1HD1 LEU 27 1HD1 LEU 27 4.184 -2.400 -1.359
224 2HD1 LEU 27 2HD1 LEU 27 5.646 -2.813 -0.462
225 3HD1 LEU 27 3HD1 LEU 27 5.501 -1.233 -1.233
226 1HD2 LEU 27 1HD2 LEU 27 2.890 -0.595 -0.769
227 2HD2 LEU 27 2HD2 LEU 27 3.719 0.576 0.254
228 3HD2 LEU 27 3HD2 LEU 27 2.474 -0.472 0.941
229 H LEU 28 H LEU 28 1.945 -3.321 3.242
230 HA LEU 28 HA LEU 28 2.291 -6.027 3.925
231 1HB LEU 28 1HB LEU 28 1.444 -3.626 5.219
232 2HB LEU 28 2HB LEU 28 0.294 -4.893 5.600
233 HG LEU 28 HG LEU 28 2.354 -6.305 6.238
234 1HD1 LEU 28 1HD1 LEU 28 4.293 -5.020 6.974
235 2HD1 LEU 28 2HD1 LEU 28 3.567 -3.546 6.331
236 3HD1 LEU 28 3HD1 LEU 28 4.035 -4.848 5.237
237 1HD2 LEU 28 1HD2 LEU 28 2.355 -5.381 8.492
238 2HD2 LEU 28 2HD2 LEU 28 0.719 -5.432 7.836
239 3HD2 LEU 28 3HD2 LEU 28 1.595 -3.903 7.897
240 H GLY 29 H GLY 29 -0.472 -4.273 2.629
241 1HA GLY 29 1HA GLY 29 -2.307 -5.147 1.513
242 2HA GLY 29 2HA GLY 29 -1.754 -6.763 1.924
243 H GLU 30 H GLU 30 -2.486 -4.024 4.071
244 HA GLU 30 HA GLU 30 -4.652 -5.641 5.241
245 1HB GLU 30 1HB GLU 30 -2.438 -5.345 6.585
246 2HB GLU 30 2HB GLU 30 -3.040 -3.722 6.891
247 1HG GLU 30 1HG GLU 30 -4.496 -6.271 7.563
248 2HG GLU 30 2HG GLU 30 -3.571 -5.292 8.700
249 H GLU 31 H GLU 31 -6.384 -4.655 4.340
250 HA GLU 31 HA GLU 31 -6.626 -1.737 4.626
251 1HB GLU 31 1HB GLU 31 -6.952 -3.054 2.368
252 2HB GLU 31 2HB GLU 31 -8.548 -3.385 3.027
253 1HG GLU 31 1HG GLU 31 -7.377 -0.639 2.639
254 2HG GLU 31 2HG GLU 31 -8.493 -1.430 1.529
255 H ARG 32 H ARG 32 -7.848 -0.999 6.238
256 HA ARG 32 HA ARG 32 -9.358 -2.711 7.916
257 1HB ARG 32 1HB ARG 32 -8.245 -0.440 8.469
258 2HB ARG 32 2HB ARG 32 -9.723 0.273 7.837
259 1HG ARG 32 1HG ARG 32 -10.482 -1.757 9.653
260 2HG ARG 32 2HG ARG 32 -9.215 -0.801 10.423
261 1HD ARG 32 1HD ARG 32 -11.190 0.301 11.003
262 2HD ARG 32 2HD ARG 32 -10.551 1.244 9.658
263 HE ARG 32 HE ARG 32 -12.417 -0.791 8.856
264 1HH1 ARG 32 1HH1 ARG 32 -12.105 2.503 10.001
265 2HH1 ARG 32 2HH1 ARG 32 -13.620 3.008 9.332
266 1HH2 ARG 32 1HH2 ARG 32 -14.413 -0.119 7.979
267 2HH2 ARG 32 2HH2 ARG 32 -14.930 1.520 8.186
268 H ARG 33 H ARG 33 -11.112 -3.713 7.155
269 HA ARG 33 HA ARG 33 -12.908 -2.445 5.284
270 1HB ARG 33 1HB ARG 33 -14.174 -4.574 5.420
271 2HB ARG 33 2HB ARG 33 -12.481 -4.805 5.012
272 1HG ARG 33 1HG ARG 33 -12.200 -6.164 6.735
273 2HG ARG 33 2HG ARG 33 -12.812 -4.946 7.855
274 1HD ARG 33 1HD ARG 33 -15.139 -5.656 7.089
275 2HD ARG 33 2HD ARG 33 -14.348 -7.050 6.358
276 HE ARG 33 HE ARG 33 -13.989 -7.930 8.456
277 1HH1 ARG 33 1HH1 ARG 33 -15.154 -4.640 8.767
278 2HH1 ARG 33 2HH1 ARG 33 -15.436 -4.773 10.469
279 1HH2 ARG 33 1HH2 ARG 33 -14.363 -8.096 10.698
280 2HH2 ARG 33 2HH2 ARG 33 -14.987 -6.732 11.566
Start of MODEL 19
1 H TYR 1 H TYR 1 -13.208 15.136 0.299
2 HA TYR 1 HA TYR 1 -12.439 12.937 1.055
3 1HB TYR 1 1HB TYR 1 -15.433 12.519 1.092
4 2HB TYR 1 2HB TYR 1 -14.289 11.185 0.995
5 HD1 TYR 1 HD1 TYR 1 -12.993 10.518 2.918
6 HD2 TYR 1 HD2 TYR 1 -15.616 13.861 3.135
7 HE1 TYR 1 HE1 TYR 1 -12.803 10.500 5.370
8 HE2 TYR 1 HE2 TYR 1 -15.433 13.853 5.586
9 HH TYR 1 HH TYR 1 -14.754 11.705 7.376
10 H LYS 2 H LYS 2 -11.428 13.204 -0.929
11 HA LYS 2 HA LYS 2 -12.743 11.914 -3.167
12 1HB LYS 2 1HB LYS 2 -13.113 14.540 -3.127
13 2HB LYS 2 2HB LYS 2 -11.494 14.549 -3.809
14 1HG LYS 2 1HG LYS 2 -12.866 14.564 -5.675
15 2HG LYS 2 2HG LYS 2 -12.424 12.864 -5.512
16 1HD LYS 2 1HD LYS 2 -14.642 12.519 -5.699
17 2HD LYS 2 2HD LYS 2 -14.665 12.955 -3.990
18 1HE LYS 2 1HE LYS 2 -14.919 15.038 -6.134
19 2HE LYS 2 2HE LYS 2 -16.320 14.124 -5.579
20 1HZ LYS 2 1HZ LYS 2 -14.593 15.931 -3.985
21 2HZ LYS 2 2HZ LYS 2 -15.714 14.878 -3.282
22 3HZ LYS 2 3HZ LYS 2 -16.241 16.104 -4.321
23 H PHE 3 H PHE 3 -10.766 10.767 -1.847
24 HA PHE 3 HA PHE 3 -8.595 10.761 -3.775
25 1HB PHE 3 1HB PHE 3 -8.170 12.373 -1.691
26 2HB PHE 3 2HB PHE 3 -7.717 10.855 -0.926
27 HD1 PHE 3 HD1 PHE 3 -6.834 13.331 -3.455
28 HD2 PHE 3 HD2 PHE 3 -5.768 9.618 -1.682
29 HE1 PHE 3 HE1 PHE 3 -4.599 13.488 -4.470
30 HE2 PHE 3 HE2 PHE 3 -3.530 9.761 -2.688
31 HZ PHE 3 HZ PHE 3 -2.944 11.705 -4.089
32 H ALA 4 H ALA 4 -8.496 8.684 -4.332
33 HA ALA 4 HA ALA 4 -8.816 6.653 -2.253
34 1HB ALA 4 1HB ALA 4 -9.449 6.422 -5.187
35 2HB ALA 4 2HB ALA 4 -10.622 6.589 -3.881
36 3HB ALA 4 3HB ALA 4 -9.627 5.136 -3.993
37 H CYS 5 H CYS 5 -7.377 4.961 -2.126
38 HA CYS 5 HA CYS 5 -4.733 5.418 -2.961
39 1HB CYS 5 1HB CYS 5 -5.955 2.799 -2.070
40 2HB CYS 5 2HB CYS 5 -4.245 3.216 -2.051
41 HG CYS 5 HG CYS 5 -6.039 3.661 0.204
42 HA PRO 6 HA PRO 6 -4.432 3.744 -7.030
43 1HB PRO 6 1HB PRO 6 -1.973 2.321 -6.219
44 2HB PRO 6 2HB PRO 6 -2.194 3.579 -7.439
45 1HG PRO 6 1HG PRO 6 -0.952 4.086 -5.122
46 2HG PRO 6 2HG PRO 6 -1.990 5.292 -5.902
47 1HD PRO 6 1HD PRO 6 -2.580 3.505 -3.575
48 2HD PRO 6 2HD PRO 6 -3.009 5.209 -3.824
49 H GLU 7 H GLU 7 -4.250 1.612 -4.267
50 HA GLU 7 HA GLU 7 -4.750 -0.734 -5.942
51 1HB GLU 7 1HB GLU 7 -2.975 -0.776 -4.166
52 2HB GLU 7 2HB GLU 7 -4.253 -0.650 -2.969
53 1HG GLU 7 1HG GLU 7 -5.143 -2.757 -4.384
54 2HG GLU 7 2HG GLU 7 -3.404 -2.942 -4.605
55 H CYS 8 H CYS 8 -6.142 0.829 -3.012
56 HA CYS 8 HA CYS 8 -8.605 -0.681 -3.516
57 1HB CYS 8 1HB CYS 8 -9.294 -0.151 -1.270
58 2HB CYS 8 2HB CYS 8 -7.704 -0.856 -1.251
59 HG CYS 8 HG CYS 8 -7.698 1.164 0.370
60 HA PRO 9 HA PRO 9 -10.977 2.807 -4.624
61 1HB PRO 9 1HB PRO 9 -13.421 1.903 -4.049
62 2HB PRO 9 2HB PRO 9 -12.419 1.106 -5.267
63 1HG PRO 9 1HG PRO 9 -12.980 0.293 -2.448
64 2HG PRO 9 2HG PRO 9 -12.822 -0.714 -3.897
65 1HD PRO 9 1HD PRO 9 -10.813 -0.271 -1.998
66 2HD PRO 9 2HD PRO 9 -10.563 -0.899 -3.632
67 H LYS 10 H LYS 10 -10.605 2.020 -1.338
68 HA LYS 10 HA LYS 10 -12.545 3.490 -0.026
69 1HB LYS 10 1HB LYS 10 -10.004 2.292 0.638
70 2HB LYS 10 2HB LYS 10 -10.192 3.830 1.468
71 1HG LYS 10 1HG LYS 10 -11.043 2.189 2.922
72 2HG LYS 10 2HG LYS 10 -12.447 3.007 2.235
73 1HD LYS 10 1HD LYS 10 -13.071 0.796 2.039
74 2HD LYS 10 2HD LYS 10 -12.335 1.088 0.462
75 1HE LYS 10 1HE LYS 10 -11.351 -0.906 1.074
76 2HE LYS 10 2HE LYS 10 -10.158 0.266 1.630
77 1HZ LYS 10 1HZ LYS 10 -11.042 0.088 3.856
78 2HZ LYS 10 2HZ LYS 10 -10.615 -1.447 3.290
79 3HZ LYS 10 3HZ LYS 10 -12.242 -0.988 3.337
80 H ARG 11 H ARG 11 -12.985 5.562 0.183
81 HA ARG 11 HA ARG 11 -11.107 7.527 -0.902
82 1HB ARG 11 1HB ARG 11 -13.023 9.073 -0.925
83 2HB ARG 11 2HB ARG 11 -13.354 7.606 -1.835
84 1HG ARG 11 1HG ARG 11 -14.273 7.049 0.727
85 2HG ARG 11 2HG ARG 11 -14.740 8.726 0.440
86 1HD ARG 11 1HD ARG 11 -16.244 8.171 -1.138
87 2HD ARG 11 2HD ARG 11 -15.214 6.913 -1.821
88 HE ARG 11 HE ARG 11 -17.214 6.608 0.256
89 1HH1 ARG 11 1HH1 ARG 11 -14.492 5.161 -1.415
90 2HH1 ARG 11 2HH1 ARG 11 -14.914 3.547 -0.954
91 1HH2 ARG 11 1HH2 ARG 11 -17.759 4.479 0.856
92 2HH2 ARG 11 2HH2 ARG 11 -16.768 3.158 0.333
93 H PHE 12 H PHE 12 -9.870 8.622 0.439
94 HA PHE 12 HA PHE 12 -10.548 8.735 3.283
95 1HB PHE 12 1HB PHE 12 -8.000 9.540 1.866
96 2HB PHE 12 2HB PHE 12 -8.233 9.499 3.603
97 HD1 PHE 12 HD1 PHE 12 -6.982 7.842 4.542
98 HD2 PHE 12 HD2 PHE 12 -8.952 7.040 0.854
99 HE1 PHE 12 HE1 PHE 12 -6.138 5.534 4.594
100 HE2 PHE 12 HE2 PHE 12 -8.116 4.729 0.907
101 HZ PHE 12 HZ PHE 12 -6.700 3.967 2.777
102 H MET 13 H MET 13 -9.505 10.953 4.249
103 HA MET 13 HA MET 13 -11.219 13.031 3.197
104 1HB MET 13 1HB MET 13 -10.389 12.380 5.723
105 2HB MET 13 2HB MET 13 -9.356 13.755 5.353
106 1HG MET 13 1HG MET 13 -11.969 14.437 4.538
107 2HG MET 13 2HG MET 13 -12.089 13.720 6.144
108 1HE MET 13 1HE MET 13 -12.700 17.047 5.400
109 2HE MET 13 2HE MET 13 -12.280 17.444 7.065
110 3HE MET 13 3HE MET 13 -13.168 15.962 6.710
111 H ARG 14 H ARG 14 -7.729 12.471 3.544
112 HA ARG 14 HA ARG 14 -7.259 14.586 1.557
113 1HB ARG 14 1HB ARG 14 -5.853 14.276 4.210
114 2HB ARG 14 2HB ARG 14 -5.184 15.212 2.884
115 1HG ARG 14 1HG ARG 14 -6.286 16.954 3.698
116 2HG ARG 14 2HG ARG 14 -7.769 16.173 3.145
117 1HD ARG 14 1HD ARG 14 -8.417 16.180 5.278
118 2HD ARG 14 2HD ARG 14 -7.223 14.912 5.542
119 HE ARG 14 HE ARG 14 -5.945 17.399 5.736
120 1HH1 ARG 14 1HH1 ARG 14 -8.294 15.474 7.477
121 2HH1 ARG 14 2HH1 ARG 14 -7.901 16.164 9.015
122 1HH2 ARG 14 1HH2 ARG 14 -5.433 18.305 7.766
123 2HH2 ARG 14 2HH2 ARG 14 -6.278 17.770 9.181
124 H SER 15 H SER 15 -5.189 14.415 0.460
125 HA SER 15 HA SER 15 -4.626 11.871 -0.497
126 1HB SER 15 1HB SER 15 -2.595 12.896 -1.484
127 2HB SER 15 2HB SER 15 -4.031 13.884 -1.733
128 HG SER 15 HG SER 15 -2.418 15.235 -1.044
129 H ASP 16 H ASP 16 -3.021 13.705 2.079
130 HA ASP 16 HA ASP 16 -0.878 11.926 2.501
131 1HB ASP 16 1HB ASP 16 -0.953 12.973 4.894
132 2HB ASP 16 2HB ASP 16 -0.517 13.972 3.515
133 H HIS 17 H HIS 17 -4.189 11.933 3.714
134 HA HIS 17 HA HIS 17 -3.954 10.077 5.784
135 1HB HIS 17 1HB HIS 17 -6.227 10.642 3.877
136 2HB HIS 17 2HB HIS 17 -6.369 9.493 5.199
137 HD1 HIS 17 HD1 HIS 17 -8.309 11.204 5.968
138 HD2 HIS 17 HD2 HIS 17 -4.403 12.581 6.267
139 HE1 HIS 17 HE1 HIS 17 -8.411 13.186 7.510
140 HE2 HIS 17 HE2 HIS 17 -6.050 14.058 7.601
141 H LEU 18 H LEU 18 -3.947 9.631 2.318
142 HA LEU 18 HA LEU 18 -4.165 6.735 2.511
143 1HB LEU 18 1HB LEU 18 -3.623 8.491 0.129
144 2HB LEU 18 2HB LEU 18 -3.939 6.772 0.078
145 HG LEU 18 HG LEU 18 -6.202 7.383 1.162
146 1HD1 LEU 18 1HD1 LEU 18 -6.889 9.691 0.204
147 2HD1 LEU 18 2HD1 LEU 18 -5.161 10.037 0.268
148 3HD1 LEU 18 3HD1 LEU 18 -6.031 9.615 1.742
149 1HD2 LEU 18 1HD2 LEU 18 -6.832 8.243 -1.310
150 2HD2 LEU 18 2HD2 LEU 18 -6.523 6.557 -0.900
151 3HD2 LEU 18 3HD2 LEU 18 -5.240 7.547 -1.602
152 H SER 19 H SER 19 -1.845 9.160 1.357
153 HA SER 19 HA SER 19 0.248 7.707 0.536
154 1HB SER 19 1HB SER 19 0.373 10.117 0.575
155 2HB SER 19 2HB SER 19 0.373 10.139 2.339
156 HG SER 19 HG SER 19 2.419 9.439 0.557
157 H LYS 20 H LYS 20 -0.610 8.138 3.944
158 HA LYS 20 HA LYS 20 1.663 6.585 4.848
159 1HB LYS 20 1HB LYS 20 -0.724 7.726 6.315
160 2HB LYS 20 2HB LYS 20 0.574 6.835 7.097
161 1HG LYS 20 1HG LYS 20 1.800 8.854 5.567
162 2HG LYS 20 2HG LYS 20 0.441 9.603 6.407
163 1HD LYS 20 1HD LYS 20 1.660 7.934 8.296
164 2HD LYS 20 2HD LYS 20 2.985 8.730 7.446
165 1HE LYS 20 1HE LYS 20 1.966 10.906 7.893
166 2HE LYS 20 2HE LYS 20 0.632 10.115 8.729
167 1HZ LYS 20 1HZ LYS 20 2.266 10.950 10.290
168 2HZ LYS 20 2HZ LYS 20 3.484 10.038 9.555
169 3HZ LYS 20 3HZ LYS 20 2.211 9.261 10.353
170 H HIS 21 H HIS 21 -1.761 6.105 4.224
171 HA HIS 21 HA HIS 21 -1.856 3.500 5.444
172 1HB HIS 21 1HB HIS 21 -3.947 4.402 5.562
173 2HB HIS 21 2HB HIS 21 -3.763 5.305 4.067
174 HD1 HIS 21 HD1 HIS 21 -5.717 2.651 5.381
175 HD2 HIS 21 HD2 HIS 21 -3.785 3.309 1.772
176 HE1 HIS 21 HE1 HIS 21 -6.865 1.166 3.685
177 H ILE 22 H ILE 22 -1.270 4.743 2.200
178 HA ILE 22 HA ILE 22 -1.743 2.312 0.838
179 HB ILE 22 HB ILE 22 -0.083 3.339 -0.895
180 1HG1 ILE 22 1HG1 ILE 22 -0.819 6.009 -0.178
181 2HG1 ILE 22 2HG1 ILE 22 0.039 5.258 1.163
182 1HG2 ILE 22 1HG2 ILE 22 -2.866 4.217 -0.234
183 2HG2 ILE 22 2HG2 ILE 22 -2.301 3.180 -1.544
184 3HG2 ILE 22 3HG2 ILE 22 -2.013 4.918 -1.609
185 1HD1 ILE 22 1HD1 ILE 22 1.078 5.266 -1.649
186 2HD1 ILE 22 2HD1 ILE 22 1.944 4.832 -0.175
187 3HD1 ILE 22 3HD1 ILE 22 1.470 6.506 -0.459
188 H THR 23 H THR 23 1.250 3.701 2.102
189 HA THR 23 HA THR 23 2.989 1.769 1.141
190 HB THR 23 HB THR 23 3.177 3.219 3.792
191 HG1 THR 23 HG1 THR 23 4.009 3.948 1.184
192 1HG2 THR 23 1HG2 THR 23 4.865 1.584 3.834
193 2HG2 THR 23 2HG2 THR 23 5.653 3.078 3.325
194 3HG2 THR 23 3HG2 THR 23 5.261 1.837 2.134
195 H LEU 24 H LEU 24 0.622 1.437 3.627
196 HA LEU 24 HA LEU 24 1.790 -1.126 4.477
197 1HB LEU 24 1HB LEU 24 0.135 -1.003 6.341
198 2HB LEU 24 2HB LEU 24 1.327 0.283 6.351
199 HG LEU 24 HG LEU 24 -0.655 1.426 4.913
200 1HD1 LEU 24 1HD1 LEU 24 -2.739 0.786 5.458
201 2HD1 LEU 24 2HD1 LEU 24 -2.285 0.325 7.101
202 3HD1 LEU 24 3HD1 LEU 24 -1.953 -0.765 5.754
203 1HD2 LEU 24 1HD2 LEU 24 0.610 2.366 6.826
204 2HD2 LEU 24 2HD2 LEU 24 -0.474 1.501 7.916
205 3HD2 LEU 24 3HD2 LEU 24 -1.109 2.759 6.855
206 H HIS 25 H HIS 25 -1.228 0.378 3.363
207 HA HIS 25 HA HIS 25 -2.668 -2.055 3.194
208 1HB HIS 25 1HB HIS 25 -4.378 -0.620 3.011
209 2HB HIS 25 2HB HIS 25 -3.261 0.718 2.856
210 HD1 HIS 25 HD1 HIS 25 -5.162 -1.746 0.692
211 HD2 HIS 25 HD2 HIS 25 -3.249 1.938 0.433
212 HE1 HIS 25 HE1 HIS 25 -5.728 -0.805 -1.583
213 H GLU 26 H GLU 26 -0.549 -0.336 0.997
214 HA GLU 26 HA GLU 26 -1.301 -1.936 -1.286
215 1HB GLU 26 1HB GLU 26 -0.423 0.365 -1.546
216 2HB GLU 26 2HB GLU 26 1.110 -0.154 -0.860
217 1HG GLU 26 1HG GLU 26 1.419 -0.085 -3.186
218 2HG GLU 26 2HG GLU 26 1.276 -1.790 -2.763
219 H LEU 27 H LEU 27 0.750 -2.265 1.457
220 HA LEU 27 HA LEU 27 2.239 -4.444 0.151
221 1HB LEU 27 1HB LEU 27 2.837 -2.820 2.619
222 2HB LEU 27 2HB LEU 27 3.746 -4.250 2.171
223 1HD1 LEU 27 1HD1 LEU 27 3.936 -3.699 -0.909
224 2HD1 LEU 27 2HD1 LEU 27 5.152 -4.292 0.222
225 3HD1 LEU 27 3HD1 LEU 27 5.459 -2.831 -0.715
226 1HD2 LEU 27 1HD2 LEU 27 3.963 -0.508 0.329
227 2HD2 LEU 27 2HD2 LEU 27 2.446 -1.184 0.928
228 3HD2 LEU 27 3HD2 LEU 27 3.022 -1.600 -0.687
229 H LEU 28 H LEU 28 1.850 -4.197 3.643
230 HA LEU 28 HA LEU 28 0.470 -6.792 3.584
231 1HB LEU 28 1HB LEU 28 2.106 -5.488 5.759
232 2HB LEU 28 2HB LEU 28 1.257 -7.012 5.937
233 HG LEU 28 HG LEU 28 3.470 -6.511 3.944
234 1HD1 LEU 28 1HD1 LEU 28 3.566 -8.031 6.544
235 2HD1 LEU 28 2HD1 LEU 28 4.240 -6.421 6.288
236 3HD1 LEU 28 3HD1 LEU 28 4.890 -7.800 5.402
237 1HD2 LEU 28 1HD2 LEU 28 1.955 -8.990 4.744
238 2HD2 LEU 28 2HD2 LEU 28 3.452 -9.008 3.811
239 3HD2 LEU 28 3HD2 LEU 28 2.014 -8.230 3.152
240 H GLY 29 H GLY 29 -1.643 -6.744 3.940
241 1HA GLY 29 1HA GLY 29 -2.953 -4.454 5.067
242 2HA GLY 29 2HA GLY 29 -3.719 -5.958 4.578
243 H GLU 30 H GLU 30 -2.658 -4.060 7.186
244 HA GLU 30 HA GLU 30 -2.545 -6.201 9.125
245 1HB GLU 30 1HB GLU 30 -2.670 -3.232 9.668
246 2HB GLU 30 2HB GLU 30 -2.101 -4.491 10.753
247 1HG GLU 30 1HG GLU 30 -0.055 -4.020 10.046
248 2HG GLU 30 2HG GLU 30 -0.500 -4.776 8.516
249 H GLU 31 H GLU 31 -3.964 -6.380 10.954
250 HA GLU 31 HA GLU 31 -6.722 -5.595 10.302
251 1HB GLU 31 1HB GLU 31 -7.318 -7.418 11.988
252 2HB GLU 31 2HB GLU 31 -6.641 -7.939 10.453
253 1HG GLU 31 1HG GLU 31 -5.665 -9.239 12.193
254 2HG GLU 31 2HG GLU 31 -4.430 -8.154 11.558
255 H ARG 32 H ARG 32 -8.168 -5.087 12.125
256 HA ARG 32 HA ARG 32 -6.745 -3.496 14.147
257 1HB ARG 32 1HB ARG 32 -8.672 -2.680 12.424
258 2HB ARG 32 2HB ARG 32 -9.659 -3.130 13.808
259 1HG ARG 32 1HG ARG 32 -8.455 -1.603 15.227
260 2HG ARG 32 2HG ARG 32 -7.328 -1.228 13.922
261 1HD ARG 32 1HD ARG 32 -10.295 -0.742 13.743
262 2HD ARG 32 2HD ARG 32 -9.150 0.469 14.317
263 HE ARG 32 HE ARG 32 -9.574 -0.375 11.597
264 1HH1 ARG 32 1HH1 ARG 32 -7.325 1.141 13.814
265 2HH1 ARG 32 2HH1 ARG 32 -6.469 1.978 12.565
266 1HH2 ARG 32 1HH2 ARG 32 -8.437 0.730 9.956
267 2HH2 ARG 32 2HH2 ARG 32 -7.098 1.745 10.377
268 H ARG 33 H ARG 33 -7.114 -3.761 16.305
269 HA ARG 33 HA ARG 33 -8.320 -6.256 17.119
270 1HB ARG 33 1HB ARG 33 -6.172 -5.182 18.061
271 2HB ARG 33 2HB ARG 33 -7.253 -4.151 18.986
272 1HG ARG 33 1HG ARG 33 -6.737 -5.879 20.448
273 2HG ARG 33 2HG ARG 33 -8.321 -6.328 19.809
274 1HD ARG 33 1HD ARG 33 -7.157 -7.767 18.136
275 2HD ARG 33 2HD ARG 33 -5.638 -7.412 18.958
276 HE ARG 33 HE ARG 33 -7.723 -9.198 19.837
277 1HH1 ARG 33 1HH1 ARG 33 -4.962 -7.289 20.844
278 2HH1 ARG 33 2HH1 ARG 33 -4.670 -8.237 22.263
279 1HH2 ARG 33 1HH2 ARG 33 -7.328 -10.443 21.707
280 2HH2 ARG 33 2HH2 ARG 33 -6.011 -10.026 22.753
Start of MODEL 20
1 H TYR 1 H TYR 1 -15.250 13.076 1.050
2 HA TYR 1 HA TYR 1 -12.461 12.148 1.112
3 1HB TYR 1 1HB TYR 1 -15.080 10.697 0.644
4 2HB TYR 1 2HB TYR 1 -13.489 9.963 0.802
5 HD1 TYR 1 HD1 TYR 1 -12.275 10.280 3.058
6 HD2 TYR 1 HD2 TYR 1 -16.437 10.968 2.518
7 HE1 TYR 1 HE1 TYR 1 -12.619 10.056 5.481
8 HE2 TYR 1 HE2 TYR 1 -16.795 10.745 4.940
9 HH TYR 1 HH TYR 1 -15.183 9.359 6.920
10 H LYS 2 H LYS 2 -11.491 12.829 -0.713
11 HA LYS 2 HA LYS 2 -12.770 12.142 -3.260
12 1HB LYS 2 1HB LYS 2 -11.780 14.335 -4.182
13 2HB LYS 2 2HB LYS 2 -13.261 14.427 -3.243
14 1HG LYS 2 1HG LYS 2 -12.035 16.175 -2.391
15 2HG LYS 2 2HG LYS 2 -11.672 14.886 -1.244
16 1HD LYS 2 1HD LYS 2 -9.545 14.494 -2.222
17 2HD LYS 2 2HD LYS 2 -9.930 15.495 -3.624
18 1HE LYS 2 1HE LYS 2 -9.966 16.698 -0.890
19 2HE LYS 2 2HE LYS 2 -8.424 16.432 -1.703
20 1HZ LYS 2 1HZ LYS 2 -9.240 18.646 -2.139
21 2HZ LYS 2 2HZ LYS 2 -10.695 18.038 -2.747
22 3HZ LYS 2 3HZ LYS 2 -9.249 17.749 -3.574
23 H PHE 3 H PHE 3 -10.719 10.788 -1.787
24 HA PHE 3 HA PHE 3 -8.632 10.804 -3.825
25 1HB PHE 3 1HB PHE 3 -8.063 12.263 -1.712
26 2HB PHE 3 2HB PHE 3 -7.771 10.704 -0.956
27 HD1 PHE 3 HD1 PHE 3 -6.215 13.337 -2.490
28 HD2 PHE 3 HD2 PHE 3 -6.294 9.084 -2.597
29 HE1 PHE 3 HE1 PHE 3 -3.936 13.320 -3.406
30 HE2 PHE 3 HE2 PHE 3 -4.008 9.056 -3.506
31 HZ PHE 3 HZ PHE 3 -2.828 11.180 -3.919
32 H ALA 4 H ALA 4 -8.753 8.764 -4.543
33 HA ALA 4 HA ALA 4 -9.165 6.614 -2.612
34 1HB ALA 4 1HB ALA 4 -10.847 6.673 -4.339
35 2HB ALA 4 2HB ALA 4 -9.840 5.239 -4.546
36 3HB ALA 4 3HB ALA 4 -9.604 6.642 -5.590
37 H CYS 5 H CYS 5 -7.599 5.162 -2.216
38 HA CYS 5 HA CYS 5 -4.968 5.542 -3.036
39 1HB CYS 5 1HB CYS 5 -6.132 2.901 -2.148
40 2HB CYS 5 2HB CYS 5 -4.466 3.442 -1.996
41 HG CYS 5 HG CYS 5 -5.875 3.640 0.277
42 HA PRO 6 HA PRO 6 -4.636 3.753 -7.054
43 1HB PRO 6 1HB PRO 6 -2.144 2.646 -6.948
44 2HB PRO 6 2HB PRO 6 -2.435 4.382 -7.105
45 1HG PRO 6 1HG PRO 6 -1.770 2.786 -4.663
46 2HG PRO 6 2HG PRO 6 -1.145 4.365 -5.173
47 1HD PRO 6 1HD PRO 6 -3.062 4.115 -3.292
48 2HD PRO 6 2HD PRO 6 -3.012 5.489 -4.412
49 H GLU 7 H GLU 7 -4.433 1.754 -4.228
50 HA GLU 7 HA GLU 7 -4.694 -0.664 -5.873
51 1HB GLU 7 1HB GLU 7 -2.831 -0.577 -4.213
52 2HB GLU 7 2HB GLU 7 -4.030 -0.497 -2.933
53 1HG GLU 7 1HG GLU 7 -4.493 -2.716 -4.745
54 2HG GLU 7 2HG GLU 7 -2.902 -2.777 -3.988
55 H CYS 8 H CYS 8 -6.132 0.920 -2.984
56 HA CYS 8 HA CYS 8 -8.460 -0.841 -3.332
57 1HB CYS 8 1HB CYS 8 -9.085 -0.409 -1.077
58 2HB CYS 8 2HB CYS 8 -7.405 -0.847 -1.096
59 HG CYS 8 HG CYS 8 -7.249 1.151 0.362
60 HA PRO 9 HA PRO 9 -11.168 2.387 -4.417
61 1HB PRO 9 1HB PRO 9 -13.497 1.422 -3.507
62 2HB PRO 9 2HB PRO 9 -12.594 0.611 -4.793
63 1HG PRO 9 1HG PRO 9 -12.810 -0.082 -1.899
64 2HG PRO 9 2HG PRO 9 -12.731 -1.153 -3.308
65 1HD PRO 9 1HD PRO 9 -10.583 -0.508 -1.642
66 2HD PRO 9 2HD PRO 9 -10.449 -1.193 -3.264
67 H LYS 10 H LYS 10 -10.581 1.799 -1.080
68 HA LYS 10 HA LYS 10 -12.435 3.434 0.188
69 1HB LYS 10 1HB LYS 10 -10.177 1.990 0.957
70 2HB LYS 10 2HB LYS 10 -9.801 3.652 1.395
71 1HG LYS 10 1HG LYS 10 -12.440 2.482 2.155
72 2HG LYS 10 2HG LYS 10 -10.998 2.094 3.093
73 1HD LYS 10 1HD LYS 10 -11.520 3.959 4.240
74 2HD LYS 10 2HD LYS 10 -10.768 4.792 2.878
75 1HE LYS 10 1HE LYS 10 -12.778 5.899 3.014
76 2HE LYS 10 2HE LYS 10 -13.166 4.639 1.845
77 1HZ LYS 10 1HZ LYS 10 -13.727 4.450 4.754
78 2HZ LYS 10 2HZ LYS 10 -14.210 3.356 3.558
79 3HZ LYS 10 3HZ LYS 10 -14.863 4.916 3.589
80 H ARG 11 H ARG 11 -12.819 5.527 0.095
81 HA ARG 11 HA ARG 11 -10.816 7.295 -1.094
82 1HB ARG 11 1HB ARG 11 -12.724 8.927 -1.238
83 2HB ARG 11 2HB ARG 11 -12.928 7.463 -2.186
84 1HG ARG 11 1HG ARG 11 -14.054 7.203 0.476
85 2HG ARG 11 2HG ARG 11 -14.751 8.553 -0.422
86 1HD ARG 11 1HD ARG 11 -15.170 7.007 -2.318
87 2HD ARG 11 2HD ARG 11 -14.590 5.677 -1.316
88 HE ARG 11 HE ARG 11 -17.136 7.030 -1.125
89 1HH1 ARG 11 1HH1 ARG 11 -14.832 4.957 0.509
90 2HH1 ARG 11 2HH1 ARG 11 -16.014 4.289 1.583
91 1HH2 ARG 11 1HH2 ARG 11 -18.684 6.143 0.291
92 2HH2 ARG 11 2HH2 ARG 11 -18.199 4.960 1.459
93 H PHE 12 H PHE 12 -9.566 8.434 0.192
94 HA PHE 12 HA PHE 12 -10.362 8.925 2.961
95 1HB PHE 12 1HB PHE 12 -7.708 9.405 1.580
96 2HB PHE 12 2HB PHE 12 -8.016 9.631 3.293
97 HD1 PHE 12 HD1 PHE 12 -6.895 8.052 4.515
98 HD2 PHE 12 HD2 PHE 12 -8.787 6.841 0.900
99 HE1 PHE 12 HE1 PHE 12 -6.202 5.730 4.931
100 HE2 PHE 12 HE2 PHE 12 -8.104 4.519 1.315
101 HZ PHE 12 HZ PHE 12 -6.798 3.953 3.328
102 H MET 13 H MET 13 -10.033 11.095 3.893
103 HA MET 13 HA MET 13 -11.123 13.103 2.136
104 1HB MET 13 1HB MET 13 -11.478 14.427 4.077
105 2HB MET 13 2HB MET 13 -11.869 12.769 4.504
106 1HG MET 13 1HG MET 13 -10.411 12.793 6.164
107 2HG MET 13 2HG MET 13 -9.113 13.294 5.082
108 1HE MET 13 1HE MET 13 -11.032 13.798 7.917
109 2HE MET 13 2HE MET 13 -11.117 15.513 8.318
110 3HE MET 13 3HE MET 13 -9.587 14.648 8.467
111 H ARG 14 H ARG 14 -7.951 12.303 3.280
112 HA ARG 14 HA ARG 14 -6.936 14.789 2.064
113 1HB ARG 14 1HB ARG 14 -5.880 13.444 4.558
114 2HB ARG 14 2HB ARG 14 -5.111 14.796 3.742
115 1HG ARG 14 1HG ARG 14 -7.144 16.147 4.172
116 2HG ARG 14 2HG ARG 14 -7.793 14.797 5.103
117 1HD ARG 14 1HD ARG 14 -6.845 16.133 6.742
118 2HD ARG 14 2HD ARG 14 -5.579 14.949 6.427
119 HE ARG 14 HE ARG 14 -5.409 17.421 4.918
120 1HH1 ARG 14 1HH1 ARG 14 -4.354 15.645 7.749
121 2HH1 ARG 14 2HH1 ARG 14 -2.936 16.610 7.974
122 1HH2 ARG 14 1HH2 ARG 14 -3.539 18.689 5.227
123 2HH2 ARG 14 2HH2 ARG 14 -2.473 18.336 6.546
124 H SER 15 H SER 15 -4.815 14.669 1.156
125 HA SER 15 HA SER 15 -4.329 12.245 -0.263
126 1HB SER 15 1HB SER 15 -3.830 14.483 -1.205
127 2HB SER 15 2HB SER 15 -2.558 14.692 -0.002
128 HG SER 15 HG SER 15 -1.968 13.864 -2.190
129 H ASP 16 H ASP 16 -3.044 13.661 2.667
130 HA ASP 16 HA ASP 16 -0.793 11.864 2.825
131 1HB ASP 16 1HB ASP 16 -0.616 12.800 5.187
132 2HB ASP 16 2HB ASP 16 -0.437 13.957 3.875
133 H HIS 17 H HIS 17 -4.091 11.979 3.973
134 HA HIS 17 HA HIS 17 -4.052 10.121 6.030
135 1HB HIS 17 1HB HIS 17 -6.121 10.964 4.035
136 2HB HIS 17 2HB HIS 17 -6.457 9.595 5.087
137 HD1 HIS 17 HD1 HIS 17 -8.392 11.353 5.895
138 HD2 HIS 17 HD2 HIS 17 -4.479 12.193 7.009
139 HE1 HIS 17 HE1 HIS 17 -8.570 12.992 7.793
140 HE2 HIS 17 HE2 HIS 17 -6.188 13.557 8.388
141 H LEU 18 H LEU 18 -4.120 9.600 2.536
142 HA LEU 18 HA LEU 18 -4.231 6.714 2.864
143 1HB LEU 18 1HB LEU 18 -3.588 7.668 0.198
144 2HB LEU 18 2HB LEU 18 -4.867 6.595 0.720
145 HG LEU 18 HG LEU 18 -5.968 8.877 1.504
146 1HD1 LEU 18 1HD1 LEU 18 -4.264 10.406 0.951
147 2HD1 LEU 18 2HD1 LEU 18 -5.455 10.561 -0.334
148 3HD1 LEU 18 3HD1 LEU 18 -3.974 9.645 -0.610
149 1HD2 LEU 18 1HD2 LEU 18 -7.113 7.493 0.018
150 2HD2 LEU 18 2HD2 LEU 18 -5.856 7.624 -1.209
151 3HD2 LEU 18 3HD2 LEU 18 -6.906 9.000 -0.870
152 H SER 19 H SER 19 -2.052 9.177 1.534
153 HA SER 19 HA SER 19 0.026 7.835 0.566
154 1HB SER 19 1HB SER 19 0.091 10.247 0.763
155 2HB SER 19 2HB SER 19 0.232 10.142 2.518
156 HG SER 19 HG SER 19 2.140 9.647 0.535
157 H LYS 20 H LYS 20 -0.554 8.091 4.068
158 HA LYS 20 HA LYS 20 1.782 6.495 4.676
159 1HB LYS 20 1HB LYS 20 0.695 8.338 6.148
160 2HB LYS 20 2HB LYS 20 -0.447 7.084 6.610
161 1HG LYS 20 1HG LYS 20 1.483 5.691 7.343
162 2HG LYS 20 2HG LYS 20 2.535 7.070 7.020
163 1HD LYS 20 1HD LYS 20 2.138 7.667 9.139
164 2HD LYS 20 2HD LYS 20 0.544 8.165 8.571
165 1HE LYS 20 1HE LYS 20 -0.495 6.340 9.462
166 2HE LYS 20 2HE LYS 20 0.920 5.306 9.275
167 1HZ LYS 20 1HZ LYS 20 0.440 5.785 11.602
168 2HZ LYS 20 2HZ LYS 20 0.618 7.443 11.317
169 3HZ LYS 20 3HZ LYS 20 1.947 6.409 11.151
170 H HIS 21 H HIS 21 -1.722 6.052 4.545
171 HA HIS 21 HA HIS 21 -1.708 3.368 5.486
172 1HB HIS 21 1HB HIS 21 -3.793 4.221 5.806
173 2HB HIS 21 2HB HIS 21 -3.707 5.255 4.389
174 HD1 HIS 21 HD1 HIS 21 -5.542 2.446 5.586
175 HD2 HIS 21 HD2 HIS 21 -3.902 3.507 1.929
176 HE1 HIS 21 HE1 HIS 21 -6.793 1.110 3.836
177 H ILE 22 H ILE 22 -1.356 4.794 2.270
178 HA ILE 22 HA ILE 22 -1.944 2.432 0.839
179 HB ILE 22 HB ILE 22 -0.390 3.503 -0.965
180 1HG1 ILE 22 1HG1 ILE 22 -1.031 6.156 -0.200
181 2HG1 ILE 22 2HG1 ILE 22 -0.182 5.401 1.146
182 1HG2 ILE 22 1HG2 ILE 22 -3.111 4.387 -0.090
183 2HG2 ILE 22 2HG2 ILE 22 -2.651 3.358 -1.446
184 3HG2 ILE 22 3HG2 ILE 22 -2.349 5.094 -1.515
185 1HD1 ILE 22 1HD1 ILE 22 1.714 4.941 -0.184
186 2HD1 ILE 22 2HD1 ILE 22 1.255 6.612 -0.510
187 3HD1 ILE 22 3HD1 ILE 22 0.850 5.345 -1.668
188 H THR 23 H THR 23 1.171 3.741 1.894
189 HA THR 23 HA THR 23 2.785 1.794 0.769
190 HB THR 23 HB THR 23 3.311 3.968 2.215
191 HG1 THR 23 HG1 THR 23 5.021 3.233 1.200
192 1HG2 THR 23 1HG2 THR 23 4.181 3.585 4.355
193 2HG2 THR 23 2HG2 THR 23 4.048 1.833 4.189
194 3HG2 THR 23 3HG2 THR 23 2.593 2.819 4.348
195 H LEU 24 H LEU 24 0.723 1.544 3.567
196 HA LEU 24 HA LEU 24 1.837 -1.073 4.264
197 1HB LEU 24 1HB LEU 24 0.292 -0.940 6.218
198 2HB LEU 24 2HB LEU 24 1.491 0.342 6.158
199 HG LEU 24 HG LEU 24 -0.556 1.517 4.851
200 1HD1 LEU 24 1HD1 LEU 24 -1.792 -0.717 5.808
201 2HD1 LEU 24 2HD1 LEU 24 -2.597 0.798 5.391
202 3HD1 LEU 24 3HD1 LEU 24 -2.141 0.470 7.065
203 1HD2 LEU 24 1HD2 LEU 24 0.765 2.463 6.683
204 2HD2 LEU 24 2HD2 LEU 24 -0.165 1.509 7.837
205 3HD2 LEU 24 3HD2 LEU 24 -0.960 2.766 6.889
206 H HIS 25 H HIS 25 -1.235 0.430 3.284
207 HA HIS 25 HA HIS 25 -2.694 -1.997 3.261
208 1HB HIS 25 1HB HIS 25 -4.431 -0.605 3.019
209 2HB HIS 25 2HB HIS 25 -3.320 0.740 2.943
210 HD1 HIS 25 HD1 HIS 25 -4.932 -1.739 0.535
211 HD2 HIS 25 HD2 HIS 25 -3.521 2.166 0.685
212 HE1 HIS 25 HE1 HIS 25 -5.515 -0.681 -1.682
213 H GLU 26 H GLU 26 -0.677 -0.349 0.897
214 HA GLU 26 HA GLU 26 -1.494 -2.119 -1.249
215 1HB GLU 26 1HB GLU 26 -0.136 -0.863 -2.660
216 2HB GLU 26 2HB GLU 26 -0.637 0.330 -1.473
217 1HG GLU 26 1HG GLU 26 1.566 0.813 -1.513
218 2HG GLU 26 2HG GLU 26 1.618 -0.466 -0.303
219 H LEU 27 H LEU 27 0.864 -2.006 1.290
220 HA LEU 27 HA LEU 27 2.647 -3.944 0.115
221 1HB LEU 27 1HB LEU 27 3.627 -2.416 1.635
222 2HB LEU 27 2HB LEU 27 2.395 -2.703 2.844
223 1HD1 LEU 27 1HD1 LEU 27 3.871 -4.918 4.792
224 2HD1 LEU 27 2HD1 LEU 27 2.908 -5.862 3.657
225 3HD1 LEU 27 3HD1 LEU 27 2.329 -4.289 4.209
226 1HD2 LEU 27 1HD2 LEU 27 4.489 -4.790 0.802
227 2HD2 LEU 27 2HD2 LEU 27 3.814 -6.088 1.786
228 3HD2 LEU 27 3HD2 LEU 27 5.455 -5.515 2.086
229 H LEU 28 H LEU 28 0.493 -4.041 2.971
230 HA LEU 28 HA LEU 28 0.324 -6.959 2.658
231 1HB LEU 28 1HB LEU 28 1.137 -6.072 4.836
232 2HB LEU 28 2HB LEU 28 -0.405 -5.268 5.053
233 HG LEU 28 HG LEU 28 -1.548 -7.430 5.126
234 1HD1 LEU 28 1HD1 LEU 28 -0.194 -9.505 5.254
235 2HD1 LEU 28 2HD1 LEU 28 1.216 -8.572 4.755
236 3HD1 LEU 28 3HD1 LEU 28 -0.162 -8.738 3.667
237 1HD2 LEU 28 1HD2 LEU 28 -0.467 -6.343 7.164
238 2HD2 LEU 28 2HD2 LEU 28 0.788 -7.572 7.008
239 3HD2 LEU 28 3HD2 LEU 28 -0.886 -8.052 7.287
240 H GLY 29 H GLY 29 -1.755 -4.193 3.580
241 1HA GLY 29 1HA GLY 29 -3.856 -3.702 2.630
242 2HA GLY 29 2HA GLY 29 -3.906 -5.324 1.955
243 H GLU 30 H GLU 30 -4.808 -3.301 4.569
244 HA GLU 30 HA GLU 30 -5.839 -5.605 6.081
245 1HB GLU 30 1HB GLU 30 -4.884 -2.902 6.857
246 2HB GLU 30 2HB GLU 30 -6.224 -3.561 7.785
247 1HG GLU 30 1HG GLU 30 -4.005 -4.012 8.775
248 2HG GLU 30 2HG GLU 30 -4.937 -5.466 8.426
249 H GLU 31 H GLU 31 -7.266 -5.156 3.872
250 HA GLU 31 HA GLU 31 -9.593 -3.550 4.679
251 1HB GLU 31 1HB GLU 31 -9.006 -4.702 1.945
252 2HB GLU 31 2HB GLU 31 -10.244 -3.523 2.356
253 1HG GLU 31 1HG GLU 31 -7.337 -2.937 2.781
254 2HG GLU 31 2HG GLU 31 -8.101 -2.708 1.210
255 H ARG 32 H ARG 32 -9.974 -5.397 6.218
256 HA ARG 32 HA ARG 32 -10.784 -7.937 5.230
257 1HB ARG 32 1HB ARG 32 -11.210 -6.552 7.876
258 2HB ARG 32 2HB ARG 32 -11.791 -8.180 7.549
259 1HG ARG 32 1HG ARG 32 -9.534 -8.953 7.178
260 2HG ARG 32 2HG ARG 32 -8.912 -7.313 7.379
261 1HD ARG 32 1HD ARG 32 -10.045 -7.407 9.694
262 2HD ARG 32 2HD ARG 32 -10.092 -9.150 9.435
263 HE ARG 32 HE ARG 32 -7.776 -7.534 10.015
264 1HH1 ARG 32 1HH1 ARG 32 -8.902 -10.580 8.698
265 2HH1 ARG 32 2HH1 ARG 32 -7.399 -11.391 8.971
266 1HH2 ARG 32 1HH2 ARG 32 -5.800 -8.610 10.367
267 2HH2 ARG 32 2HH2 ARG 32 -5.637 -10.276 9.919
268 H ARG 33 H ARG 33 -12.696 -8.642 4.505
269 HA ARG 33 HA ARG 33 -14.990 -6.796 4.647
270 1HB ARG 33 1HB ARG 33 -13.813 -7.450 2.369
271 2HB ARG 33 2HB ARG 33 -14.804 -8.892 2.527
272 1HG ARG 33 1HG ARG 33 -16.738 -7.778 2.138
273 2HG ARG 33 2HG ARG 33 -16.162 -6.290 2.892
274 1HD ARG 33 1HD ARG 33 -15.590 -5.449 0.918
275 2HD ARG 33 2HD ARG 33 -14.603 -6.863 0.553
276 HE ARG 33 HE ARG 33 -17.284 -6.319 -0.367
277 1HH1 ARG 33 1HH1 ARG 33 -14.848 -8.787 0.130
278 2HH1 ARG 33 2HH1 ARG 33 -15.532 -9.868 -1.036
279 1HH2 ARG 33 1HH2 ARG 33 -18.177 -7.748 -1.901
280 2HH2 ARG 33 2HH2 ARG 33 -17.421 -9.278 -2.191
Start of MODEL 21
1 H TYR 1 H TYR 1 -14.734 14.776 0.835
2 HA TYR 1 HA TYR 1 -12.150 13.389 1.049
3 1HB TYR 1 1HB TYR 1 -13.750 11.388 1.498
4 2HB TYR 1 2HB TYR 1 -13.349 12.468 2.827
5 HD1 TYR 1 HD1 TYR 1 -15.027 14.001 3.734
6 HD2 TYR 1 HD2 TYR 1 -15.991 11.305 0.585
7 HE1 TYR 1 HE1 TYR 1 -17.420 14.384 4.146
8 HE2 TYR 1 HE2 TYR 1 -18.385 11.684 0.987
9 HH TYR 1 HH TYR 1 -19.682 14.035 2.318
10 H LYS 2 H LYS 2 -11.528 12.955 -0.957
11 HA LYS 2 HA LYS 2 -13.233 11.540 -2.764
12 1HB LYS 2 1HB LYS 2 -13.697 14.147 -2.962
13 2HB LYS 2 2HB LYS 2 -12.247 14.094 -3.956
14 1HG LYS 2 1HG LYS 2 -13.373 12.272 -5.289
15 2HG LYS 2 2HG LYS 2 -14.850 12.662 -4.405
16 1HD LYS 2 1HD LYS 2 -13.306 14.812 -5.808
17 2HD LYS 2 2HD LYS 2 -14.415 13.775 -6.707
18 1HE LYS 2 1HE LYS 2 -15.287 15.187 -4.208
19 2HE LYS 2 2HE LYS 2 -15.296 16.008 -5.769
20 1HZ LYS 2 1HZ LYS 2 -17.445 15.073 -5.361
21 2HZ LYS 2 2HZ LYS 2 -16.791 13.544 -5.054
22 3HZ LYS 2 3HZ LYS 2 -16.721 14.195 -6.613
23 H PHE 3 H PHE 3 -10.984 10.609 -1.739
24 HA PHE 3 HA PHE 3 -9.193 10.505 -4.039
25 1HB PHE 3 1HB PHE 3 -8.253 12.232 -2.520
26 2HB PHE 3 2HB PHE 3 -8.176 11.031 -1.239
27 HD1 PHE 3 HD1 PHE 3 -7.356 10.337 -4.774
28 HD2 PHE 3 HD2 PHE 3 -5.847 11.121 -0.876
29 HE1 PHE 3 HE1 PHE 3 -5.109 9.658 -5.509
30 HE2 PHE 3 HE2 PHE 3 -3.597 10.436 -1.598
31 HZ PHE 3 HZ PHE 3 -3.227 9.709 -3.923
32 H ALA 4 H ALA 4 -8.796 8.455 -4.513
33 HA ALA 4 HA ALA 4 -9.006 6.452 -2.396
34 1HB ALA 4 1HB ALA 4 -10.787 6.211 -4.010
35 2HB ALA 4 2HB ALA 4 -9.671 4.851 -4.142
36 3HB ALA 4 3HB ALA 4 -9.615 6.156 -5.327
37 H CYS 5 H CYS 5 -7.466 4.857 -2.219
38 HA CYS 5 HA CYS 5 -4.842 5.451 -3.012
39 1HB CYS 5 1HB CYS 5 -5.931 2.756 -2.172
40 2HB CYS 5 2HB CYS 5 -4.252 3.275 -2.103
41 HG CYS 5 HG CYS 5 -5.086 5.036 -0.242
42 HA PRO 6 HA PRO 6 -4.374 3.792 -7.081
43 1HB PRO 6 1HB PRO 6 -1.873 2.478 -6.217
44 2HB PRO 6 2HB PRO 6 -2.122 3.723 -7.444
45 1HG PRO 6 1HG PRO 6 -0.949 4.284 -5.101
46 2HG PRO 6 2HG PRO 6 -2.018 5.445 -5.909
47 1HD PRO 6 1HD PRO 6 -2.584 3.647 -3.585
48 2HD PRO 6 2HD PRO 6 -3.079 5.331 -3.856
49 H GLU 7 H GLU 7 -4.220 1.712 -4.293
50 HA GLU 7 HA GLU 7 -4.575 -0.680 -5.938
51 1HB GLU 7 1HB GLU 7 -3.798 -0.241 -3.070
52 2HB GLU 7 2HB GLU 7 -4.323 -1.816 -3.639
53 1HG GLU 7 1HG GLU 7 -1.972 -0.246 -4.672
54 2HG GLU 7 2HG GLU 7 -1.904 -1.654 -3.615
55 H CYS 8 H CYS 8 -6.065 0.865 -3.048
56 HA CYS 8 HA CYS 8 -8.506 -0.663 -3.637
57 1HB CYS 8 1HB CYS 8 -9.203 -0.321 -1.376
58 2HB CYS 8 2HB CYS 8 -7.581 -0.943 -1.372
59 HG CYS 8 HG CYS 8 -7.907 2.103 -0.998
60 HA PRO 9 HA PRO 9 -10.885 2.881 -4.536
61 1HB PRO 9 1HB PRO 9 -13.326 1.973 -3.956
62 2HB PRO 9 2HB PRO 9 -12.350 1.224 -5.226
63 1HG PRO 9 1HG PRO 9 -12.869 0.292 -2.434
64 2HG PRO 9 2HG PRO 9 -12.747 -0.654 -3.928
65 1HD PRO 9 1HD PRO 9 -10.700 -0.313 -2.052
66 2HD PRO 9 2HD PRO 9 -10.483 -0.863 -3.718
67 H LYS 10 H LYS 10 -10.322 2.079 -1.326
68 HA LYS 10 HA LYS 10 -12.250 3.370 0.165
69 1HB LYS 10 1HB LYS 10 -9.373 2.742 0.575
70 2HB LYS 10 2HB LYS 10 -10.110 3.896 1.676
71 1HG LYS 10 1HG LYS 10 -11.879 1.704 1.459
72 2HG LYS 10 2HG LYS 10 -10.256 1.054 1.695
73 1HD LYS 10 1HD LYS 10 -11.452 3.227 3.410
74 2HD LYS 10 2HD LYS 10 -11.543 1.509 3.805
75 1HE LYS 10 1HE LYS 10 -9.498 1.560 4.673
76 2HE LYS 10 2HE LYS 10 -8.838 2.193 3.167
77 1HZ LYS 10 1HZ LYS 10 -9.519 4.432 3.925
78 2HZ LYS 10 2HZ LYS 10 -8.356 3.715 4.923
79 3HZ LYS 10 3HZ LYS 10 -9.974 3.767 5.413
80 H ARG 11 H ARG 11 -12.893 5.393 0.356
81 HA ARG 11 HA ARG 11 -11.271 7.525 -0.821
82 1HB ARG 11 1HB ARG 11 -13.379 8.901 -0.496
83 2HB ARG 11 2HB ARG 11 -13.485 7.587 -1.655
84 1HG ARG 11 1HG ARG 11 -14.273 6.821 1.050
85 2HG ARG 11 2HG ARG 11 -15.270 8.095 0.348
86 1HD ARG 11 1HD ARG 11 -15.755 6.728 -1.573
87 2HD ARG 11 2HD ARG 11 -14.629 5.489 -1.024
88 HE ARG 11 HE ARG 11 -16.218 4.720 0.443
89 1HH1 ARG 11 1HH1 ARG 11 -17.250 7.820 -0.822
90 2HH1 ARG 11 2HH1 ARG 11 -18.845 7.696 -0.161
91 1HH2 ARG 11 1HH2 ARG 11 -18.321 4.565 1.311
92 2HH2 ARG 11 2HH2 ARG 11 -19.452 5.850 1.050
93 H PHE 12 H PHE 12 -9.995 8.661 0.460
94 HA PHE 12 HA PHE 12 -10.564 8.777 3.334
95 1HB PHE 12 1HB PHE 12 -8.074 9.612 1.842
96 2HB PHE 12 2HB PHE 12 -8.253 9.545 3.584
97 HD1 PHE 12 HD1 PHE 12 -7.053 7.858 4.528
98 HD2 PHE 12 HD2 PHE 12 -8.917 7.151 0.765
99 HE1 PHE 12 HE1 PHE 12 -6.179 5.560 4.527
100 HE2 PHE 12 HE2 PHE 12 -8.050 4.852 0.765
101 HZ PHE 12 HZ PHE 12 -6.673 4.049 2.645
102 H MET 13 H MET 13 -9.285 11.081 4.077
103 HA MET 13 HA MET 13 -11.090 13.119 3.010
104 1HB MET 13 1HB MET 13 -10.184 12.472 5.606
105 2HB MET 13 2HB MET 13 -9.514 14.050 5.222
106 1HG MET 13 1HG MET 13 -11.530 14.564 6.217
107 2HG MET 13 2HG MET 13 -11.904 14.654 4.497
108 1HE MET 13 1HE MET 13 -12.316 10.987 6.956
109 2HE MET 13 2HE MET 13 -13.269 12.197 7.817
110 3HE MET 13 3HE MET 13 -11.572 12.507 7.450
111 H ARG 14 H ARG 14 -7.630 12.517 3.519
112 HA ARG 14 HA ARG 14 -7.049 14.699 1.635
113 1HB ARG 14 1HB ARG 14 -5.694 14.232 4.294
114 2HB ARG 14 2HB ARG 14 -5.030 15.264 3.035
115 1HG ARG 14 1HG ARG 14 -6.172 16.944 3.908
116 2HG ARG 14 2HG ARG 14 -7.655 16.142 3.385
117 1HD ARG 14 1HD ARG 14 -7.933 15.083 5.482
118 2HD ARG 14 2HD ARG 14 -6.297 15.494 5.988
119 HE ARG 14 HE ARG 14 -7.042 17.560 6.631
120 1HH1 ARG 14 1HH1 ARG 14 -9.498 16.065 4.631
121 2HH1 ARG 14 2HH1 ARG 14 -10.685 17.279 4.967
122 1HH2 ARG 14 1HH2 ARG 14 -8.609 19.157 7.068
123 2HH2 ARG 14 2HH2 ARG 14 -10.180 19.036 6.349
124 H SER 15 H SER 15 -4.875 14.570 0.682
125 HA SER 15 HA SER 15 -4.347 12.059 -0.412
126 1HB SER 15 1HB SER 15 -2.823 14.638 -0.316
127 2HB SER 15 2HB SER 15 -2.049 13.195 -0.972
128 HG SER 15 HG SER 15 -4.268 14.623 -1.929
129 H ASP 16 H ASP 16 -2.765 13.730 2.293
130 HA ASP 16 HA ASP 16 -0.730 11.825 2.708
131 1HB ASP 16 1HB ASP 16 -0.693 12.790 5.077
132 2HB ASP 16 2HB ASP 16 -0.384 13.901 3.750
133 H HIS 17 H HIS 17 -4.084 11.942 3.771
134 HA HIS 17 HA HIS 17 -4.019 10.019 5.797
135 1HB HIS 17 1HB HIS 17 -6.173 10.768 3.820
136 2HB HIS 17 2HB HIS 17 -6.429 9.544 5.055
137 HD1 HIS 17 HD1 HIS 17 -8.333 11.231 5.897
138 HD2 HIS 17 HD2 HIS 17 -4.414 12.527 6.358
139 HE1 HIS 17 HE1 HIS 17 -8.443 13.135 7.534
140 HE2 HIS 17 HE2 HIS 17 -6.073 13.966 7.722
141 H LEU 18 H LEU 18 -3.910 9.688 2.314
142 HA LEU 18 HA LEU 18 -4.201 6.791 2.416
143 1HB LEU 18 1HB LEU 18 -3.617 8.632 0.106
144 2HB LEU 18 2HB LEU 18 -3.889 6.910 -0.026
145 HG LEU 18 HG LEU 18 -6.195 7.353 0.955
146 1HD1 LEU 18 1HD1 LEU 18 -6.907 9.766 0.286
147 2HD1 LEU 18 2HD1 LEU 18 -5.197 10.128 0.518
148 3HD1 LEU 18 3HD1 LEU 18 -6.145 9.473 1.851
149 1HD2 LEU 18 1HD2 LEU 18 -5.166 8.008 -1.732
150 2HD2 LEU 18 2HD2 LEU 18 -6.824 8.495 -1.374
151 3HD2 LEU 18 3HD2 LEU 18 -6.352 6.802 -1.233
152 H SER 19 H SER 19 -1.811 9.194 1.347
153 HA SER 19 HA SER 19 0.258 7.685 0.548
154 1HB SER 19 1HB SER 19 0.412 10.100 0.575
155 2HB SER 19 2HB SER 19 0.424 10.124 2.339
156 HG SER 19 HG SER 19 2.480 9.644 2.325
157 H LYS 20 H LYS 20 -0.641 8.153 3.938
158 HA LYS 20 HA LYS 20 1.595 6.573 4.882
159 1HB LYS 20 1HB LYS 20 0.606 8.512 6.161
160 2HB LYS 20 2HB LYS 20 -0.813 7.515 6.450
161 1HG LYS 20 1HG LYS 20 0.542 7.383 8.385
162 2HG LYS 20 2HG LYS 20 0.699 5.840 7.543
163 1HD LYS 20 1HD LYS 20 2.791 6.815 6.471
164 2HD LYS 20 2HD LYS 20 2.671 8.111 7.664
165 1HE LYS 20 1HE LYS 20 2.571 5.281 8.595
166 2HE LYS 20 2HE LYS 20 4.125 5.964 8.121
167 1HZ LYS 20 1HZ LYS 20 2.299 7.107 10.167
168 2HZ LYS 20 2HZ LYS 20 3.807 7.736 9.725
169 3HZ LYS 20 3HZ LYS 20 3.710 6.230 10.490
170 H HIS 21 H HIS 21 -1.814 6.127 4.173
171 HA HIS 21 HA HIS 21 -1.954 3.530 5.423
172 1HB HIS 21 1HB HIS 21 -4.042 4.455 5.504
173 2HB HIS 21 2HB HIS 21 -3.831 5.337 3.999
174 HD1 HIS 21 HD1 HIS 21 -5.860 2.754 5.301
175 HD2 HIS 21 HD2 HIS 21 -3.782 3.264 1.749
176 HE1 HIS 21 HE1 HIS 21 -6.959 1.225 3.610
177 H ILE 22 H ILE 22 -1.419 4.765 2.151
178 HA ILE 22 HA ILE 22 -1.868 2.345 0.800
179 HB ILE 22 HB ILE 22 -0.198 3.354 -0.930
180 1HG1 ILE 22 1HG1 ILE 22 -0.857 6.037 -0.210
181 2HG1 ILE 22 2HG1 ILE 22 -0.054 5.263 1.153
182 1HG2 ILE 22 1HG2 ILE 22 -2.101 4.999 -1.602
183 2HG2 ILE 22 2HG2 ILE 22 -2.960 4.264 -0.249
184 3HG2 ILE 22 3HG2 ILE 22 -2.406 3.262 -1.590
185 1HD1 ILE 22 1HD1 ILE 22 1.478 6.450 -0.392
186 2HD1 ILE 22 2HD1 ILE 22 1.042 5.285 -1.642
187 3HD1 ILE 22 3HD1 ILE 22 1.859 4.742 -0.175
188 H THR 23 H THR 23 1.174 3.707 2.005
189 HA THR 23 HA THR 23 2.880 1.758 1.066
190 HB THR 23 HB THR 23 3.033 3.222 3.713
191 HG1 THR 23 HG1 THR 23 3.256 4.810 2.344
192 1HG2 THR 23 1HG2 THR 23 5.501 2.938 3.433
193 2HG2 THR 23 2HG2 THR 23 5.154 1.736 2.190
194 3HG2 THR 23 3HG2 THR 23 4.619 1.468 3.848
195 H LEU 24 H LEU 24 0.641 1.524 3.750
196 HA LEU 24 HA LEU 24 1.718 -1.095 4.503
197 1HB LEU 24 1HB LEU 24 0.095 -0.964 6.383
198 2HB LEU 24 2HB LEU 24 1.270 0.340 6.369
199 HG LEU 24 HG LEU 24 -0.738 1.465 4.961
200 1HD1 LEU 24 1HD1 LEU 24 -1.964 -0.789 5.917
201 2HD1 LEU 24 2HD1 LEU 24 -2.777 0.686 5.391
202 3HD1 LEU 24 3HD1 LEU 24 -2.417 0.437 7.101
203 1HD2 LEU 24 1HD2 LEU 24 -1.159 2.807 6.869
204 2HD2 LEU 24 2HD2 LEU 24 0.542 2.342 6.932
205 3HD2 LEU 24 3HD2 LEU 24 -0.635 1.528 7.964
206 H HIS 25 H HIS 25 -1.277 0.412 3.329
207 HA HIS 25 HA HIS 25 -2.767 -2.000 3.240
208 1HB HIS 25 1HB HIS 25 -4.433 -0.544 2.950
209 2HB HIS 25 2HB HIS 25 -3.286 0.763 2.773
210 HD1 HIS 25 HD1 HIS 25 -5.040 -1.818 0.591
211 HD2 HIS 25 HD2 HIS 25 -3.369 1.984 0.381
212 HE1 HIS 25 HE1 HIS 25 -5.611 -0.911 -1.697
213 H GLU 26 H GLU 26 -0.519 -0.465 1.047
214 HA GLU 26 HA GLU 26 -1.219 -2.274 -1.126
215 1HB GLU 26 1HB GLU 26 0.157 -1.001 -2.504
216 2HB GLU 26 2HB GLU 26 -0.457 0.199 -1.379
217 1HG GLU 26 1HG GLU 26 1.724 0.779 -1.324
218 2HG GLU 26 2HG GLU 26 1.764 -0.460 -0.072
219 H LEU 27 H LEU 27 0.972 -2.047 1.541
220 HA LEU 27 HA LEU 27 2.929 -3.886 0.496
221 1HB LEU 27 1HB LEU 27 3.857 -2.479 2.071
222 2HB LEU 27 2HB LEU 27 2.440 -2.518 3.099
223 1HD1 LEU 27 1HD1 LEU 27 5.743 -4.599 4.137
224 2HD1 LEU 27 2HD1 LEU 27 5.429 -2.876 3.928
225 3HD1 LEU 27 3HD1 LEU 27 5.717 -3.897 2.520
226 1HD2 LEU 27 1HD2 LEU 27 3.497 -3.297 5.352
227 2HD2 LEU 27 2HD2 LEU 27 3.404 -5.057 5.303
228 3HD2 LEU 27 3HD2 LEU 27 2.068 -4.087 4.684
229 H LEU 28 H LEU 28 0.407 -4.102 3.016
230 HA LEU 28 HA LEU 28 0.617 -7.026 2.926
231 1HB LEU 28 1HB LEU 28 -0.213 -5.052 4.962
232 2HB LEU 28 2HB LEU 28 -1.131 -6.545 4.933
233 HG LEU 28 HG LEU 28 1.855 -6.677 4.989
234 1HD1 LEU 28 1HD1 LEU 28 1.271 -5.089 6.751
235 2HD1 LEU 28 2HD1 LEU 28 1.829 -6.621 7.423
236 3HD1 LEU 28 3HD1 LEU 28 0.107 -6.240 7.406
237 1HD2 LEU 28 1HD2 LEU 28 -0.323 -8.406 6.157
238 2HD2 LEU 28 2HD2 LEU 28 1.407 -8.748 6.190
239 3HD2 LEU 28 3HD2 LEU 28 0.544 -8.716 4.653
240 H GLY 29 H GLY 29 -1.985 -4.571 3.152
241 1HA GLY 29 1HA GLY 29 -3.750 -4.536 1.476
242 2HA GLY 29 2HA GLY 29 -3.599 -6.282 1.364
243 H GLU 30 H GLU 30 -5.142 -3.663 2.926
244 HA GLU 30 HA GLU 30 -6.311 -5.425 4.965
245 1HB GLU 30 1HB GLU 30 -6.397 -2.412 4.711
246 2HB GLU 30 2HB GLU 30 -7.117 -3.341 6.019
247 1HG GLU 30 1HG GLU 30 -4.815 -4.209 6.527
248 2HG GLU 30 2HG GLU 30 -4.199 -3.023 5.376
249 H GLU 31 H GLU 31 -7.185 -5.928 2.388
250 HA GLU 31 HA GLU 31 -9.836 -4.668 2.247
251 1HB GLU 31 1HB GLU 31 -7.951 -5.147 0.260
252 2HB GLU 31 2HB GLU 31 -9.150 -6.409 0.017
253 1HG GLU 31 1HG GLU 31 -9.562 -3.434 -0.022
254 2HG GLU 31 2HG GLU 31 -9.778 -4.582 -1.342
255 H ARG 32 H ARG 32 -11.506 -5.780 3.005
256 HA ARG 32 HA ARG 32 -11.275 -8.701 3.249
257 1HB ARG 32 1HB ARG 32 -11.749 -7.159 5.272
258 2HB ARG 32 2HB ARG 32 -13.370 -7.024 4.606
259 1HG ARG 32 1HG ARG 32 -13.945 -9.102 5.238
260 2HG ARG 32 2HG ARG 32 -12.354 -9.770 4.870
261 1HD ARG 32 1HD ARG 32 -12.550 -9.950 7.199
262 2HD ARG 32 2HD ARG 32 -11.539 -8.529 6.943
263 HE ARG 32 HE ARG 32 -13.198 -7.215 7.827
264 1HH1 ARG 32 1HH1 ARG 32 -14.498 -10.408 7.208
265 2HH1 ARG 32 2HH1 ARG 32 -15.977 -10.101 8.053
266 1HH2 ARG 32 1HH2 ARG 32 -15.146 -6.818 8.938
267 2HH2 ARG 32 2HH2 ARG 32 -16.346 -8.063 9.036
268 H ARG 33 H ARG 33 -12.887 -10.068 2.503
269 HA ARG 33 HA ARG 33 -14.434 -9.047 0.287
270 1HB ARG 33 1HB ARG 33 -14.042 -11.813 1.424
271 2HB ARG 33 2HB ARG 33 -15.139 -11.485 0.089
272 1HG ARG 33 1HG ARG 33 -13.089 -10.413 -1.045
273 2HG ARG 33 2HG ARG 33 -12.154 -11.297 0.163
274 1HD ARG 33 1HD ARG 33 -14.103 -13.046 -0.986
275 2HD ARG 33 2HD ARG 33 -13.207 -12.251 -2.278
276 HE ARG 33 HE ARG 33 -11.291 -13.357 -1.618
277 1HH1 ARG 33 1HH1 ARG 33 -13.840 -13.933 0.718
278 2HH1 ARG 33 2HH1 ARG 33 -12.981 -15.204 1.519
279 1HH2 ARG 33 1HH2 ARG 33 -10.172 -15.029 -0.558
280 2HH2 ARG 33 2HH2 ARG 33 -10.900 -15.827 0.796
Start of MODEL 22
1 H TYR 1 H TYR 1 -13.524 14.768 2.132
2 HA TYR 1 HA TYR 1 -12.376 13.033 1.187
3 1HB TYR 1 1HB TYR 1 -15.363 12.550 1.069
4 2HB TYR 1 2HB TYR 1 -14.164 11.261 1.010
5 HD1 TYR 1 HD1 TYR 1 -12.996 10.563 2.996
6 HD2 TYR 1 HD2 TYR 1 -15.700 13.846 3.131
7 HE1 TYR 1 HE1 TYR 1 -12.963 10.482 5.452
8 HE2 TYR 1 HE2 TYR 1 -15.672 13.776 5.588
9 HH TYR 1 HH TYR 1 -15.071 11.600 7.362
10 H LYS 2 H LYS 2 -11.302 13.326 -0.732
11 HA LYS 2 HA LYS 2 -12.597 12.271 -3.101
12 1HB LYS 2 1HB LYS 2 -12.036 15.133 -2.737
13 2HB LYS 2 2HB LYS 2 -11.392 14.466 -4.229
14 1HG LYS 2 1HG LYS 2 -13.709 13.527 -4.644
15 2HG LYS 2 2HG LYS 2 -14.249 14.557 -3.317
16 1HD LYS 2 1HD LYS 2 -12.813 16.321 -4.808
17 2HD LYS 2 2HD LYS 2 -13.463 15.261 -6.060
18 1HE LYS 2 1HE LYS 2 -15.312 16.219 -3.938
19 2HE LYS 2 2HE LYS 2 -14.797 17.373 -5.167
20 1HZ LYS 2 1HZ LYS 2 -16.852 16.251 -5.784
21 2HZ LYS 2 2HZ LYS 2 -16.083 14.748 -5.704
22 3HZ LYS 2 3HZ LYS 2 -15.613 15.876 -6.873
23 H PHE 3 H PHE 3 -10.739 10.899 -1.857
24 HA PHE 3 HA PHE 3 -8.550 10.874 -3.729
25 1HB PHE 3 1HB PHE 3 -8.060 12.487 -1.652
26 2HB PHE 3 2HB PHE 3 -7.620 10.961 -0.900
27 HD1 PHE 3 HD1 PHE 3 -6.824 13.309 -3.617
28 HD2 PHE 3 HD2 PHE 3 -5.633 9.806 -1.525
29 HE1 PHE 3 HE1 PHE 3 -4.610 13.424 -4.682
30 HE2 PHE 3 HE2 PHE 3 -3.418 9.908 -2.579
31 HZ PHE 3 HZ PHE 3 -2.903 11.723 -4.167
32 H ALA 4 H ALA 4 -8.463 8.800 -4.264
33 HA ALA 4 HA ALA 4 -8.802 6.783 -2.174
34 1HB ALA 4 1HB ALA 4 -9.524 6.556 -5.087
35 2HB ALA 4 2HB ALA 4 -10.655 6.754 -3.749
36 3HB ALA 4 3HB ALA 4 -9.697 5.280 -3.883
37 H CYS 5 H CYS 5 -7.412 5.029 -2.118
38 HA CYS 5 HA CYS 5 -4.776 5.443 -2.985
39 1HB CYS 5 1HB CYS 5 -5.984 2.782 -2.220
40 2HB CYS 5 2HB CYS 5 -4.295 3.261 -2.103
41 HG CYS 5 HG CYS 5 -5.031 4.905 -0.156
42 HA PRO 6 HA PRO 6 -4.658 3.918 -7.128
43 1HB PRO 6 1HB PRO 6 -2.083 2.620 -6.507
44 2HB PRO 6 2HB PRO 6 -2.440 3.911 -7.657
45 1HG PRO 6 1HG PRO 6 -1.094 4.387 -5.388
46 2HG PRO 6 2HG PRO 6 -2.229 5.570 -6.065
47 1HD PRO 6 1HD PRO 6 -2.610 3.664 -3.787
48 2HD PRO 6 2HD PRO 6 -3.124 5.357 -3.938
49 H GLU 7 H GLU 7 -4.235 1.757 -4.420
50 HA GLU 7 HA GLU 7 -4.639 -0.598 -6.102
51 1HB GLU 7 1HB GLU 7 -2.865 -0.429 -4.246
52 2HB GLU 7 2HB GLU 7 -4.205 -0.626 -3.128
53 1HG GLU 7 1HG GLU 7 -4.077 -2.603 -5.298
54 2HG GLU 7 2HG GLU 7 -2.751 -2.656 -4.138
55 H CYS 8 H CYS 8 -6.047 0.767 -3.077
56 HA CYS 8 HA CYS 8 -8.468 -0.796 -3.634
57 1HB CYS 8 1HB CYS 8 -9.111 -0.502 -1.356
58 2HB CYS 8 2HB CYS 8 -7.459 -1.039 -1.393
59 HG CYS 8 HG CYS 8 -7.372 0.830 0.287
60 HA PRO 9 HA PRO 9 -10.990 2.664 -4.463
61 1HB PRO 9 1HB PRO 9 -13.383 1.690 -3.784
62 2HB PRO 9 2HB PRO 9 -12.435 0.967 -5.091
63 1HG PRO 9 1HG PRO 9 -12.822 0.024 -2.283
64 2HG PRO 9 2HG PRO 9 -12.720 -0.919 -3.780
65 1HD PRO 9 1HD PRO 9 -10.622 -0.510 -1.974
66 2HD PRO 9 2HD PRO 9 -10.445 -1.056 -3.644
67 H LYS 10 H LYS 10 -10.209 1.999 -1.298
68 HA LYS 10 HA LYS 10 -12.151 3.215 0.261
69 1HB LYS 10 1HB LYS 10 -9.206 2.812 0.569
70 2HB LYS 10 2HB LYS 10 -10.050 3.836 1.722
71 1HG LYS 10 1HG LYS 10 -11.213 1.168 1.162
72 2HG LYS 10 2HG LYS 10 -9.719 1.230 2.096
73 1HD LYS 10 1HD LYS 10 -11.112 1.490 3.848
74 2HD LYS 10 2HD LYS 10 -11.160 3.172 3.318
75 1HE LYS 10 1HE LYS 10 -13.170 2.705 2.009
76 2HE LYS 10 2HE LYS 10 -13.113 1.018 2.514
77 1HZ LYS 10 1HZ LYS 10 -14.695 2.257 3.834
78 2HZ LYS 10 2HZ LYS 10 -13.499 3.357 4.303
79 3HZ LYS 10 3HZ LYS 10 -13.410 1.746 4.809
80 H ARG 11 H ARG 11 -12.842 5.216 0.503
81 HA ARG 11 HA ARG 11 -11.388 7.391 -0.816
82 1HB ARG 11 1HB ARG 11 -13.520 8.673 -0.495
83 2HB ARG 11 2HB ARG 11 -13.671 7.252 -1.518
84 1HG ARG 11 1HG ARG 11 -15.241 6.397 -0.210
85 2HG ARG 11 2HG ARG 11 -14.228 6.575 1.223
86 1HD ARG 11 1HD ARG 11 -14.949 9.136 0.852
87 2HD ARG 11 2HD ARG 11 -16.359 8.329 0.170
88 HE ARG 11 HE ARG 11 -15.616 8.476 2.933
89 1HH1 ARG 11 1HH1 ARG 11 -17.361 6.563 0.571
90 2HH1 ARG 11 2HH1 ARG 11 -18.400 5.836 1.748
91 1HH2 ARG 11 1HH2 ARG 11 -16.992 7.515 4.475
92 2HH2 ARG 11 2HH2 ARG 11 -18.192 6.377 3.963
93 H PHE 12 H PHE 12 -10.090 8.588 0.391
94 HA PHE 12 HA PHE 12 -10.587 8.794 3.278
95 1HB PHE 12 1HB PHE 12 -8.113 9.563 1.720
96 2HB PHE 12 2HB PHE 12 -8.271 9.546 3.466
97 HD1 PHE 12 HD1 PHE 12 -7.131 7.851 4.478
98 HD2 PHE 12 HD2 PHE 12 -8.929 7.103 0.692
99 HE1 PHE 12 HE1 PHE 12 -6.273 5.548 4.527
100 HE2 PHE 12 HE2 PHE 12 -8.078 4.798 0.740
101 HZ PHE 12 HZ PHE 12 -6.739 4.011 2.657
102 H MET 13 H MET 13 -9.442 11.077 4.029
103 HA MET 13 HA MET 13 -11.181 13.100 2.850
104 1HB MET 13 1HB MET 13 -10.456 12.498 5.466
105 2HB MET 13 2HB MET 13 -9.571 13.975 5.111
106 1HG MET 13 1HG MET 13 -12.316 14.116 4.204
107 2HG MET 13 2HG MET 13 -12.202 13.771 5.928
108 1HE MET 13 1HE MET 13 -11.797 17.100 7.418
109 2HE MET 13 2HE MET 13 -11.363 15.419 7.726
110 3HE MET 13 3HE MET 13 -12.972 15.818 7.125
111 H ARG 14 H ARG 14 -7.731 12.491 3.400
112 HA ARG 14 HA ARG 14 -7.122 14.647 1.496
113 1HB ARG 14 1HB ARG 14 -5.847 14.242 4.202
114 2HB ARG 14 2HB ARG 14 -5.100 15.199 2.931
115 1HG ARG 14 1HG ARG 14 -6.164 16.899 3.921
116 2HG ARG 14 2HG ARG 14 -7.559 16.318 3.009
117 1HD ARG 14 1HD ARG 14 -8.638 15.746 4.875
118 2HD ARG 14 2HD ARG 14 -7.241 14.867 5.489
119 HE ARG 14 HE ARG 14 -6.766 17.605 5.811
120 1HH1 ARG 14 1HH1 ARG 14 -8.900 15.128 7.062
121 2HH1 ARG 14 2HH1 ARG 14 -9.088 15.895 8.601
122 1HH2 ARG 14 1HH2 ARG 14 -7.016 18.611 7.840
123 2HH2 ARG 14 2HH2 ARG 14 -8.019 17.875 9.044
124 H SER 15 H SER 15 -4.996 14.477 0.514
125 HA SER 15 HA SER 15 -4.436 11.939 -0.485
126 1HB SER 15 1HB SER 15 -2.415 14.179 -0.352
127 2HB SER 15 2HB SER 15 -2.546 12.910 -1.568
128 HG SER 15 HG SER 15 -3.446 14.744 -2.428
129 H ASP 16 H ASP 16 -2.917 13.693 2.196
130 HA ASP 16 HA ASP 16 -0.821 11.861 2.649
131 1HB ASP 16 1HB ASP 16 -0.926 12.866 5.051
132 2HB ASP 16 2HB ASP 16 -0.456 13.892 3.701
133 H HIS 17 H HIS 17 -4.170 11.919 3.739
134 HA HIS 17 HA HIS 17 -4.058 10.022 5.780
135 1HB HIS 17 1HB HIS 17 -6.226 10.700 3.795
136 2HB HIS 17 2HB HIS 17 -6.458 9.483 5.040
137 HD1 HIS 17 HD1 HIS 17 -8.398 11.126 5.869
138 HD2 HIS 17 HD2 HIS 17 -4.514 12.532 6.308
139 HE1 HIS 17 HE1 HIS 17 -8.557 13.051 7.478
140 HE2 HIS 17 HE2 HIS 17 -6.211 13.946 7.653
141 H LEU 18 H LEU 18 -3.928 9.642 2.307
142 HA LEU 18 HA LEU 18 -4.174 6.741 2.447
143 1HB LEU 18 1HB LEU 18 -3.618 8.537 0.097
144 2HB LEU 18 2HB LEU 18 -3.933 6.818 0.015
145 HG LEU 18 HG LEU 18 -6.201 7.370 1.067
146 1HD1 LEU 18 1HD1 LEU 18 -6.859 9.756 0.218
147 2HD1 LEU 18 2HD1 LEU 18 -5.138 10.078 0.426
148 3HD1 LEU 18 3HD1 LEU 18 -6.106 9.545 1.799
149 1HD2 LEU 18 1HD2 LEU 18 -6.547 6.710 -1.040
150 2HD2 LEU 18 2HD2 LEU 18 -5.208 7.677 -1.663
151 3HD2 LEU 18 3HD2 LEU 18 -6.776 8.427 -1.365
152 H SER 19 H SER 19 -1.834 9.169 1.329
153 HA SER 19 HA SER 19 0.245 7.695 0.503
154 1HB SER 19 1HB SER 19 0.403 10.100 0.544
155 2HB SER 19 2HB SER 19 0.379 10.126 2.307
156 HG SER 19 HG SER 19 2.437 9.647 2.340
157 H LYS 20 H LYS 20 -0.599 8.144 3.916
158 HA LYS 20 HA LYS 20 1.645 6.541 4.804
159 1HB LYS 20 1HB LYS 20 0.591 8.507 6.075
160 2HB LYS 20 2HB LYS 20 -0.701 7.389 6.492
161 1HG LYS 20 1HG LYS 20 0.639 6.134 7.866
162 2HG LYS 20 2HG LYS 20 2.119 6.598 7.026
163 1HD LYS 20 1HD LYS 20 1.958 8.846 7.970
164 2HD LYS 20 2HD LYS 20 0.462 8.400 8.792
165 1HE LYS 20 1HE LYS 20 2.061 8.166 10.459
166 2HE LYS 20 2HE LYS 20 1.877 6.520 9.855
167 1HZ LYS 20 1HZ LYS 20 4.019 8.405 9.027
168 2HZ LYS 20 2HZ LYS 20 3.863 6.792 8.538
169 3HZ LYS 20 3HZ LYS 20 4.207 7.157 10.154
170 H HIS 21 H HIS 21 -1.783 6.131 4.177
171 HA HIS 21 HA HIS 21 -1.948 3.539 5.414
172 1HB HIS 21 1HB HIS 21 -4.023 4.508 5.477
173 2HB HIS 21 2HB HIS 21 -3.800 5.345 3.949
174 HD1 HIS 21 HD1 HIS 21 -5.836 2.795 5.331
175 HD2 HIS 21 HD2 HIS 21 -3.803 3.240 1.743
176 HE1 HIS 21 HE1 HIS 21 -6.965 1.245 3.679
177 H ILE 22 H ILE 22 -1.374 4.745 2.138
178 HA ILE 22 HA ILE 22 -1.839 2.311 0.803
179 HB ILE 22 HB ILE 22 -0.154 3.305 -0.924
180 1HG1 ILE 22 1HG1 ILE 22 -0.838 5.987 -0.218
181 2HG1 ILE 22 2HG1 ILE 22 -0.009 5.224 1.134
182 1HG2 ILE 22 1HG2 ILE 22 -2.102 5.001 -1.532
183 2HG2 ILE 22 2HG2 ILE 22 -2.945 4.085 -0.283
184 3HG2 ILE 22 3HG2 ILE 22 -2.296 3.257 -1.699
185 1HD1 ILE 22 1HD1 ILE 22 1.892 4.732 -0.209
186 2HD1 ILE 22 2HD1 ILE 22 1.477 6.429 -0.456
187 3HD1 ILE 22 3HD1 ILE 22 1.047 5.229 -1.676
188 H THR 23 H THR 23 1.180 3.670 2.045
189 HA THR 23 HA THR 23 2.878 1.682 1.120
190 HB THR 23 HB THR 23 3.140 3.193 3.728
191 HG1 THR 23 HG1 THR 23 3.932 3.884 1.094
192 1HG2 THR 23 1HG2 THR 23 4.824 1.549 3.727
193 2HG2 THR 23 2HG2 THR 23 5.595 3.043 3.193
194 3HG2 THR 23 3HG2 THR 23 5.172 1.798 2.016
195 H LEU 24 H LEU 24 0.542 1.457 3.655
196 HA LEU 24 HA LEU 24 1.709 -1.088 4.568
197 1HB LEU 24 1HB LEU 24 0.117 -0.908 6.463
198 2HB LEU 24 2HB LEU 24 1.266 0.418 6.392
199 HG LEU 24 HG LEU 24 -0.764 1.445 4.958
200 1HD1 LEU 24 1HD1 LEU 24 -2.429 0.473 7.133
201 2HD1 LEU 24 2HD1 LEU 24 -1.952 -0.789 5.997
202 3HD1 LEU 24 3HD1 LEU 24 -2.787 0.652 5.412
203 1HD2 LEU 24 1HD2 LEU 24 -1.261 2.809 6.875
204 2HD2 LEU 24 2HD2 LEU 24 0.471 2.478 6.843
205 3HD2 LEU 24 3HD2 LEU 24 -0.575 1.600 7.960
206 H HIS 25 H HIS 25 -1.264 0.406 3.346
207 HA HIS 25 HA HIS 25 -2.765 -1.993 3.346
208 1HB HIS 25 1HB HIS 25 -4.454 -0.566 3.011
209 2HB HIS 25 2HB HIS 25 -3.311 0.748 2.860
210 HD1 HIS 25 HD1 HIS 25 -4.986 -1.844 0.624
211 HD2 HIS 25 HD2 HIS 25 -3.373 1.986 0.476
212 HE1 HIS 25 HE1 HIS 25 -5.511 -0.935 -1.675
213 H GLU 26 H GLU 26 -0.607 -0.476 1.017
214 HA GLU 26 HA GLU 26 -1.409 -2.210 -1.128
215 1HB GLU 26 1HB GLU 26 0.296 -1.229 -2.407
216 2HB GLU 26 2HB GLU 26 -0.236 0.067 -1.349
217 1HG GLU 26 1HG GLU 26 1.862 0.361 -0.731
218 2HG GLU 26 2HG GLU 26 1.833 -1.233 0.015
219 H LEU 27 H LEU 27 0.464 -2.552 1.714
220 HA LEU 27 HA LEU 27 2.044 -4.777 0.657
221 1HB LEU 27 1HB LEU 27 1.991 -3.244 3.218
222 2HB LEU 27 2HB LEU 27 2.658 -4.865 3.227
223 1HD1 LEU 27 1HD1 LEU 27 5.618 -4.210 1.275
224 2HD1 LEU 27 2HD1 LEU 27 4.156 -4.716 0.428
225 3HD1 LEU 27 3HD1 LEU 27 4.573 -5.444 1.978
226 1HD2 LEU 27 1HD2 LEU 27 2.602 -1.832 1.417
227 2HD2 LEU 27 2HD2 LEU 27 3.637 -2.560 0.186
228 3HD2 LEU 27 3HD2 LEU 27 4.338 -1.507 1.415
229 H LEU 28 H LEU 28 -0.159 -4.314 3.434
230 HA LEU 28 HA LEU 28 -0.816 -7.169 3.330
231 1HB LEU 28 1HB LEU 28 -0.075 -5.834 5.461
232 2HB LEU 28 2HB LEU 28 -1.752 -5.320 5.489
233 HG LEU 28 HG LEU 28 -1.210 -8.240 5.281
234 1HD1 LEU 28 1HD1 LEU 28 0.368 -7.427 7.006
235 2HD1 LEU 28 2HD1 LEU 28 -0.891 -8.480 7.652
236 3HD1 LEU 28 3HD1 LEU 28 -0.996 -6.735 7.883
237 1HD2 LEU 28 1HD2 LEU 28 -3.204 -8.304 6.752
238 2HD2 LEU 28 2HD2 LEU 28 -3.493 -7.474 5.224
239 3HD2 LEU 28 3HD2 LEU 28 -3.259 -6.543 6.702
240 H GLY 29 H GLY 29 -2.696 -7.849 2.536
241 1HA GLY 29 1HA GLY 29 -4.698 -5.886 1.740
242 2HA GLY 29 2HA GLY 29 -4.667 -7.586 1.296
243 H GLU 30 H GLU 30 -5.487 -5.295 3.833
244 HA GLU 30 HA GLU 30 -6.605 -7.220 5.612
245 1HB GLU 30 1HB GLU 30 -5.793 -4.790 6.084
246 2HB GLU 30 2HB GLU 30 -7.416 -4.329 5.588
247 1HG GLU 30 1HG GLU 30 -7.242 -4.530 8.006
248 2HG GLU 30 2HG GLU 30 -8.369 -5.711 7.340
249 H GLU 31 H GLU 31 -8.567 -8.115 5.662
250 HA GLU 31 HA GLU 31 -10.429 -7.518 3.520
251 1HB GLU 31 1HB GLU 31 -9.793 -9.864 4.332
252 2HB GLU 31 2HB GLU 31 -10.829 -9.543 5.716
253 1HG GLU 31 1HG GLU 31 -12.661 -10.002 4.554
254 2HG GLU 31 2HG GLU 31 -12.180 -8.929 3.242
255 H ARG 32 H ARG 32 -10.594 -7.707 7.089
256 HA ARG 32 HA ARG 32 -13.145 -6.330 7.095
257 1HB ARG 32 1HB ARG 32 -12.204 -8.228 8.719
258 2HB ARG 32 2HB ARG 32 -11.650 -6.825 9.622
259 1HG ARG 32 1HG ARG 32 -14.167 -6.063 9.222
260 2HG ARG 32 2HG ARG 32 -14.399 -7.810 9.135
261 1HD ARG 32 1HD ARG 32 -12.900 -6.498 11.387
262 2HD ARG 32 2HD ARG 32 -14.650 -6.711 11.422
263 HE ARG 32 HE ARG 32 -13.426 -9.176 10.831
264 1HH1 ARG 32 1HH1 ARG 32 -13.816 -6.940 13.498
265 2HH1 ARG 32 2HH1 ARG 32 -13.681 -8.169 14.709
266 1HH2 ARG 32 1HH2 ARG 32 -13.246 -10.791 12.431
267 2HH2 ARG 32 2HH2 ARG 32 -13.356 -10.357 14.103
268 H ARG 33 H ARG 33 -13.530 -4.263 7.717
269 HA ARG 33 HA ARG 33 -11.169 -2.574 8.239
270 1HB ARG 33 1HB ARG 33 -12.589 -0.705 7.299
271 2HB ARG 33 2HB ARG 33 -12.078 -1.927 6.146
272 1HG ARG 33 1HG ARG 33 -14.265 -2.953 6.204
273 2HG ARG 33 2HG ARG 33 -14.787 -1.831 7.460
274 1HD ARG 33 1HD ARG 33 -15.666 -0.901 5.524
275 2HD ARG 33 2HD ARG 33 -14.175 0.010 5.762
276 HE ARG 33 HE ARG 33 -13.375 -1.973 4.134
277 1HH1 ARG 33 1HH1 ARG 33 -16.089 0.234 3.949
278 2HH1 ARG 33 2HH1 ARG 33 -16.131 0.228 2.219
279 1HH2 ARG 33 1HH2 ARG 33 -13.436 -1.973 1.855
280 2HH2 ARG 33 2HH2 ARG 33 -14.626 -1.023 1.030
Start of MODEL 23
1 H TYR 1 H TYR 1 -13.901 14.605 1.764
2 HA TYR 1 HA TYR 1 -12.707 12.721 0.983
3 1HB TYR 1 1HB TYR 1 -15.568 12.774 1.627
4 2HB TYR 1 2HB TYR 1 -15.064 11.288 0.830
5 HD1 TYR 1 HD1 TYR 1 -14.270 9.562 2.141
6 HD2 TYR 1 HD2 TYR 1 -13.995 13.540 3.619
7 HE1 TYR 1 HE1 TYR 1 -13.406 8.702 4.275
8 HE2 TYR 1 HE2 TYR 1 -13.130 12.692 5.757
9 HH TYR 1 HH TYR 1 -13.463 9.992 6.938
10 H LYS 2 H LYS 2 -11.811 12.988 -1.107
11 HA LYS 2 HA LYS 2 -13.165 11.431 -3.140
12 1HB LYS 2 1HB LYS 2 -13.645 14.074 -3.265
13 2HB LYS 2 2HB LYS 2 -12.134 14.021 -4.163
14 1HG LYS 2 1HG LYS 2 -13.202 12.200 -5.570
15 2HG LYS 2 2HG LYS 2 -14.726 12.648 -4.802
16 1HD LYS 2 1HD LYS 2 -14.134 15.050 -5.545
17 2HD LYS 2 2HD LYS 2 -12.985 14.266 -6.632
18 1HE LYS 2 1HE LYS 2 -14.811 14.376 -8.003
19 2HE LYS 2 2HE LYS 2 -15.090 12.805 -7.253
20 1HZ LYS 2 1HZ LYS 2 -17.098 14.136 -7.263
21 2HZ LYS 2 2HZ LYS 2 -16.324 15.373 -6.409
22 3HZ LYS 2 3HZ LYS 2 -16.583 13.873 -5.673
23 H PHE 3 H PHE 3 -10.957 10.691 -1.741
24 HA PHE 3 HA PHE 3 -8.908 10.673 -3.831
25 1HB PHE 3 1HB PHE 3 -8.465 12.390 -1.900
26 2HB PHE 3 2HB PHE 3 -8.039 10.957 -0.973
27 HD1 PHE 3 HD1 PHE 3 -7.095 13.124 -3.765
28 HD2 PHE 3 HD2 PHE 3 -6.059 9.689 -1.491
29 HE1 PHE 3 HE1 PHE 3 -4.831 13.171 -4.727
30 HE2 PHE 3 HE2 PHE 3 -3.792 9.721 -2.441
31 HZ PHE 3 HZ PHE 3 -3.176 11.469 -4.068
32 H ALA 4 H ALA 4 -8.800 8.585 -4.357
33 HA ALA 4 HA ALA 4 -8.938 6.586 -2.234
34 1HB ALA 4 1HB ALA 4 -10.720 6.370 -3.859
35 2HB ALA 4 2HB ALA 4 -9.628 4.990 -3.964
36 3HB ALA 4 3HB ALA 4 -9.540 6.279 -5.166
37 H CYS 5 H CYS 5 -7.457 4.897 -2.140
38 HA CYS 5 HA CYS 5 -4.808 5.494 -2.897
39 1HB CYS 5 1HB CYS 5 -5.935 2.813 -2.066
40 2HB CYS 5 2HB CYS 5 -4.248 3.305 -2.000
41 HG CYS 5 HG CYS 5 -6.117 3.635 0.216
42 HA PRO 6 HA PRO 6 -4.350 3.852 -6.969
43 1HB PRO 6 1HB PRO 6 -1.875 2.489 -6.105
44 2HB PRO 6 2HB PRO 6 -2.099 3.748 -7.324
45 1HG PRO 6 1HG PRO 6 -0.926 4.273 -4.973
46 2HG PRO 6 2HG PRO 6 -1.973 5.456 -5.776
47 1HD PRO 6 1HD PRO 6 -2.579 3.651 -3.467
48 2HD PRO 6 2HD PRO 6 -3.046 5.344 -3.729
49 H GLU 7 H GLU 7 -4.186 1.721 -4.204
50 HA GLU 7 HA GLU 7 -4.596 -0.636 -5.890
51 1HB GLU 7 1HB GLU 7 -3.021 -0.282 -3.685
52 2HB GLU 7 2HB GLU 7 -4.452 -1.018 -2.981
53 1HG GLU 7 1HG GLU 7 -4.261 -2.872 -4.588
54 2HG GLU 7 2HG GLU 7 -2.781 -2.146 -5.214
55 H CYS 8 H CYS 8 -6.091 0.921 -3.007
56 HA CYS 8 HA CYS 8 -8.521 -0.628 -3.587
57 1HB CYS 8 1HB CYS 8 -9.255 -0.206 -1.338
58 2HB CYS 8 2HB CYS 8 -7.649 -0.873 -1.311
59 HG CYS 8 HG CYS 8 -8.064 2.178 -0.891
60 HA PRO 9 HA PRO 9 -10.904 2.871 -4.622
61 1HB PRO 9 1HB PRO 9 -13.352 1.965 -4.049
62 2HB PRO 9 2HB PRO 9 -12.360 1.202 -5.296
63 1HG PRO 9 1HG PRO 9 -12.909 0.310 -2.500
64 2HG PRO 9 2HG PRO 9 -12.754 -0.657 -3.977
65 1HD PRO 9 1HD PRO 9 -10.745 -0.273 -2.070
66 2HD PRO 9 2HD PRO 9 -10.495 -0.846 -3.722
67 H LYS 10 H LYS 10 -10.542 2.032 -1.345
68 HA LYS 10 HA LYS 10 -12.473 3.483 -0.007
69 1HB LYS 10 1HB LYS 10 -9.668 2.690 0.639
70 2HB LYS 10 2HB LYS 10 -10.491 3.824 1.704
71 1HG LYS 10 1HG LYS 10 -12.322 1.762 1.282
72 2HG LYS 10 2HG LYS 10 -10.763 0.964 1.497
73 1HD LYS 10 1HD LYS 10 -10.449 2.380 3.558
74 2HD LYS 10 2HD LYS 10 -12.131 2.882 3.376
75 1HE LYS 10 1HE LYS 10 -12.548 0.288 3.264
76 2HE LYS 10 2HE LYS 10 -11.005 0.221 4.113
77 1HZ LYS 10 1HZ LYS 10 -12.956 0.270 5.600
78 2HZ LYS 10 2HZ LYS 10 -13.340 1.812 5.023
79 3HZ LYS 10 3HZ LYS 10 -11.894 1.561 5.864
80 H ARG 11 H ARG 11 -12.963 5.552 0.109
81 HA ARG 11 HA ARG 11 -11.053 7.527 -0.891
82 1HB ARG 11 1HB ARG 11 -12.987 9.074 -0.947
83 2HB ARG 11 2HB ARG 11 -13.239 7.635 -1.921
84 1HG ARG 11 1HG ARG 11 -14.622 6.676 -0.138
85 2HG ARG 11 2HG ARG 11 -14.381 8.137 0.821
86 1HD ARG 11 1HD ARG 11 -16.278 8.840 -0.145
87 2HD ARG 11 2HD ARG 11 -15.252 9.174 -1.539
88 HE ARG 11 HE ARG 11 -16.336 6.496 -1.434
89 1HH1 ARG 11 1HH1 ARG 11 -16.803 9.768 -2.599
90 2HH1 ARG 11 2HH1 ARG 11 -17.880 9.290 -3.867
91 1HH2 ARG 11 1HH2 ARG 11 -17.757 5.878 -3.104
92 2HH2 ARG 11 2HH2 ARG 11 -18.423 7.084 -4.154
93 H PHE 12 H PHE 12 -9.854 8.596 0.502
94 HA PHE 12 HA PHE 12 -10.622 8.708 3.321
95 1HB PHE 12 1HB PHE 12 -8.034 9.538 1.988
96 2HB PHE 12 2HB PHE 12 -8.320 9.473 3.716
97 HD1 PHE 12 HD1 PHE 12 -7.035 7.833 4.647
98 HD2 PHE 12 HD2 PHE 12 -8.981 7.023 0.947
99 HE1 PHE 12 HE1 PHE 12 -6.175 5.530 4.697
100 HE2 PHE 12 HE2 PHE 12 -8.127 4.720 0.999
101 HZ PHE 12 HZ PHE 12 -6.716 3.964 2.873
102 H MET 13 H MET 13 -9.387 10.991 4.198
103 HA MET 13 HA MET 13 -11.174 13.046 3.179
104 1HB MET 13 1HB MET 13 -10.994 12.757 5.594
105 2HB MET 13 2HB MET 13 -9.263 13.052 5.521
106 1HG MET 13 1HG MET 13 -10.275 15.035 6.306
107 2HG MET 13 2HG MET 13 -9.775 15.337 4.645
108 1HE MET 13 1HE MET 13 -13.994 15.153 6.351
109 2HE MET 13 2HE MET 13 -12.685 16.133 7.012
110 3HE MET 13 3HE MET 13 -12.558 14.374 7.019
111 H ARG 14 H ARG 14 -7.673 12.523 3.553
112 HA ARG 14 HA ARG 14 -7.220 14.601 1.517
113 1HB ARG 14 1HB ARG 14 -5.748 14.273 4.133
114 2HB ARG 14 2HB ARG 14 -5.133 15.234 2.797
115 1HG ARG 14 1HG ARG 14 -6.332 16.971 3.449
116 2HG ARG 14 2HG ARG 14 -7.818 16.026 3.345
117 1HD ARG 14 1HD ARG 14 -7.790 15.479 5.576
118 2HD ARG 14 2HD ARG 14 -6.039 15.644 5.703
119 HE ARG 14 HE ARG 14 -6.996 18.176 5.190
120 1HH1 ARG 14 1HH1 ARG 14 -7.454 15.768 7.691
121 2HH1 ARG 14 2HH1 ARG 14 -7.754 16.937 8.932
122 1HH2 ARG 14 1HH2 ARG 14 -7.392 19.711 6.829
123 2HH2 ARG 14 2HH2 ARG 14 -7.719 19.175 8.443
124 H SER 15 H SER 15 -5.121 14.430 0.438
125 HA SER 15 HA SER 15 -4.607 11.866 -0.537
126 1HB SER 15 1HB SER 15 -2.598 14.126 -0.551
127 2HB SER 15 2HB SER 15 -2.767 12.822 -1.727
128 HG SER 15 HG SER 15 -4.090 15.206 -1.561
129 H ASP 16 H ASP 16 -2.934 13.711 1.991
130 HA ASP 16 HA ASP 16 -0.825 11.895 2.408
131 1HB ASP 16 1HB ASP 16 -0.798 12.981 4.768
132 2HB ASP 16 2HB ASP 16 -0.429 13.973 3.363
133 H HIS 17 H HIS 17 -4.118 11.977 3.662
134 HA HIS 17 HA HIS 17 -3.878 10.166 5.770
135 1HB HIS 17 1HB HIS 17 -6.164 10.760 3.895
136 2HB HIS 17 2HB HIS 17 -6.315 9.593 5.202
137 HD1 HIS 17 HD1 HIS 17 -8.196 11.275 6.097
138 HD2 HIS 17 HD2 HIS 17 -4.289 12.682 6.214
139 HE1 HIS 17 HE1 HIS 17 -8.239 13.256 7.647
140 HE2 HIS 17 HE2 HIS 17 -5.881 14.140 7.636
141 H LEU 18 H LEU 18 -3.916 9.639 2.319
142 HA LEU 18 HA LEU 18 -4.169 6.750 2.586
143 1HB LEU 18 1HB LEU 18 -3.645 8.451 0.163
144 2HB LEU 18 2HB LEU 18 -3.946 6.730 0.144
145 HG LEU 18 HG LEU 18 -6.211 7.309 1.202
146 1HD1 LEU 18 1HD1 LEU 18 -6.926 9.632 0.295
147 2HD1 LEU 18 2HD1 LEU 18 -5.203 9.997 0.374
148 3HD1 LEU 18 3HD1 LEU 18 -6.072 9.530 1.834
149 1HD2 LEU 18 1HD2 LEU 18 -5.262 7.620 -1.571
150 2HD2 LEU 18 2HD2 LEU 18 -6.901 8.172 -1.224
151 3HD2 LEU 18 3HD2 LEU 18 -6.447 6.502 -0.896
152 H SER 19 H SER 19 -1.830 9.128 1.373
153 HA SER 19 HA SER 19 0.243 7.651 0.549
154 1HB SER 19 1HB SER 19 0.406 10.054 0.580
155 2HB SER 19 2HB SER 19 0.395 10.085 2.343
156 HG SER 19 HG SER 19 2.457 9.645 2.351
157 H LYS 20 H LYS 20 -0.584 8.106 3.964
158 HA LYS 20 HA LYS 20 1.672 6.534 4.865
159 1HB LYS 20 1HB LYS 20 0.101 8.457 6.048
160 2HB LYS 20 2HB LYS 20 -0.519 6.981 6.772
161 1HG LYS 20 1HG LYS 20 2.425 7.477 6.693
162 2HG LYS 20 2HG LYS 20 1.423 8.272 7.909
163 1HD LYS 20 1HD LYS 20 1.262 5.308 7.469
164 2HD LYS 20 2HD LYS 20 2.517 6.007 8.492
165 1HE LYS 20 1HE LYS 20 0.785 7.081 9.863
166 2HE LYS 20 2HE LYS 20 -0.459 6.353 8.848
167 1HZ LYS 20 1HZ LYS 20 0.333 4.165 9.519
168 2HZ LYS 20 2HZ LYS 20 -0.127 5.080 10.864
169 3HZ LYS 20 3HZ LYS 20 1.513 4.872 10.506
170 H HIS 21 H HIS 21 -1.768 6.076 4.274
171 HA HIS 21 HA HIS 21 -1.862 3.458 5.464
172 1HB HIS 21 1HB HIS 21 -3.948 4.368 5.604
173 2HB HIS 21 2HB HIS 21 -3.771 5.282 4.115
174 HD1 HIS 21 HD1 HIS 21 -5.730 2.630 5.421
175 HD2 HIS 21 HD2 HIS 21 -3.816 3.305 1.806
176 HE1 HIS 21 HE1 HIS 21 -6.900 1.167 3.719
177 H ILE 22 H ILE 22 -1.327 4.718 2.209
178 HA ILE 22 HA ILE 22 -1.812 2.294 0.843
179 HB ILE 22 HB ILE 22 -0.179 3.314 -0.907
180 1HG1 ILE 22 1HG1 ILE 22 -0.834 5.993 -0.191
181 2HG1 ILE 22 2HG1 ILE 22 -0.014 5.232 1.167
182 1HG2 ILE 22 1HG2 ILE 22 -2.923 4.274 -0.188
183 2HG2 ILE 22 2HG2 ILE 22 -2.428 3.185 -1.483
184 3HG2 ILE 22 3HG2 ILE 22 -2.082 4.910 -1.601
185 1HD1 ILE 22 1HD1 ILE 22 1.035 5.310 -1.645
186 2HD1 ILE 22 2HD1 ILE 22 1.864 4.659 -0.231
187 3HD1 ILE 22 3HD1 ILE 22 1.531 6.388 -0.341
188 H THR 23 H THR 23 1.199 3.677 2.065
189 HA THR 23 HA THR 23 2.924 1.746 1.090
190 HB THR 23 HB THR 23 3.140 3.183 3.747
191 HG1 THR 23 HG1 THR 23 4.035 3.930 1.160
192 1HG2 THR 23 1HG2 THR 23 4.827 1.548 3.756
193 2HG2 THR 23 2HG2 THR 23 5.609 3.046 3.248
194 3HG2 THR 23 3HG2 THR 23 5.202 1.813 2.052
195 H LEU 24 H LEU 24 0.596 1.426 3.631
196 HA LEU 24 HA LEU 24 1.762 -1.146 4.452
197 1HB LEU 24 1HB LEU 24 0.124 -1.023 6.337
198 2HB LEU 24 2HB LEU 24 1.327 0.255 6.335
199 HG LEU 24 HG LEU 24 -0.664 1.434 4.939
200 1HD1 LEU 24 1HD1 LEU 24 -2.723 0.715 5.403
201 2HD1 LEU 24 2HD1 LEU 24 -2.334 0.404 7.097
202 3HD1 LEU 24 3HD1 LEU 24 -1.937 -0.796 5.866
203 1HD2 LEU 24 1HD2 LEU 24 -0.515 1.471 7.941
204 2HD2 LEU 24 2HD2 LEU 24 -1.062 2.760 6.869
205 3HD2 LEU 24 3HD2 LEU 24 0.638 2.292 6.889
206 H HIS 25 H HIS 25 -1.266 0.350 3.359
207 HA HIS 25 HA HIS 25 -2.727 -2.081 3.218
208 1HB HIS 25 1HB HIS 25 -4.427 -0.637 3.023
209 2HB HIS 25 2HB HIS 25 -3.299 0.693 2.882
210 HD1 HIS 25 HD1 HIS 25 -5.128 -1.785 0.658
211 HD2 HIS 25 HD2 HIS 25 -3.340 1.964 0.498
212 HE1 HIS 25 HE1 HIS 25 -5.683 -0.824 -1.611
213 H GLU 26 H GLU 26 -0.602 -0.375 0.998
214 HA GLU 26 HA GLU 26 -1.341 -2.190 -1.169
215 1HB GLU 26 1HB GLU 26 -0.510 -0.669 -2.632
216 2HB GLU 26 2HB GLU 26 -0.796 0.427 -1.291
217 1HG GLU 26 1HG GLU 26 1.674 -0.200 -0.662
218 2HG GLU 26 2HG GLU 26 1.769 -0.630 -2.369
219 H LEU 27 H LEU 27 0.996 -1.881 1.328
220 HA LEU 27 HA LEU 27 3.220 -3.124 0.124
221 1HB LEU 27 1HB LEU 27 3.771 -2.202 2.146
222 2HB LEU 27 2HB LEU 27 2.275 -2.698 2.910
223 1HD1 LEU 27 1HD1 LEU 27 5.744 -3.596 2.238
224 2HD1 LEU 27 2HD1 LEU 27 5.776 -4.663 3.643
225 3HD1 LEU 27 3HD1 LEU 27 5.335 -2.965 3.834
226 1HD2 LEU 27 1HD2 LEU 27 3.535 -5.476 4.626
227 2HD2 LEU 27 2HD2 LEU 27 2.067 -4.656 4.092
228 3HD2 LEU 27 3HD2 LEU 27 3.300 -3.765 4.985
229 H LEU 28 H LEU 28 0.730 -4.585 2.235
230 HA LEU 28 HA LEU 28 1.395 -7.209 1.087
231 1HB LEU 28 1HB LEU 28 1.531 -6.874 3.577
232 2HB LEU 28 2HB LEU 28 -0.206 -6.635 3.579
233 HG LEU 28 HG LEU 28 -0.347 -8.966 2.502
234 1HD1 LEU 28 1HD1 LEU 28 2.018 -9.154 1.909
235 2HD1 LEU 28 2HD1 LEU 28 1.513 -10.459 2.982
236 3HD1 LEU 28 3HD1 LEU 28 2.451 -9.108 3.618
237 1HD2 LEU 28 1HD2 LEU 28 0.657 -8.741 5.336
238 2HD2 LEU 28 2HD2 LEU 28 -0.316 -10.049 4.663
239 3HD2 LEU 28 3HD2 LEU 28 -1.000 -8.430 4.817
240 H GLY 29 H GLY 29 -1.434 -5.289 2.125
241 1HA GLY 29 1HA GLY 29 -3.190 -5.018 0.369
242 2HA GLY 29 2HA GLY 29 -3.035 -6.749 0.111
243 H GLU 30 H GLU 30 -3.744 -4.395 2.688
244 HA GLU 30 HA GLU 30 -5.190 -6.345 4.239
245 1HB GLU 30 1HB GLU 30 -3.885 -4.449 5.235
246 2HB GLU 30 2HB GLU 30 -5.106 -3.348 4.613
247 1HG GLU 30 1HG GLU 30 -6.785 -4.302 6.013
248 2HG GLU 30 2HG GLU 30 -5.706 -5.607 6.505
249 H GLU 31 H GLU 31 -7.339 -6.680 4.351
250 HA GLU 31 HA GLU 31 -9.021 -5.250 2.426
251 1HB GLU 31 1HB GLU 31 -9.139 -7.935 3.728
252 2HB GLU 31 2HB GLU 31 -10.650 -7.186 3.230
253 1HG GLU 31 1HG GLU 31 -9.168 -6.848 0.996
254 2HG GLU 31 2HG GLU 31 -8.492 -8.353 1.618
255 H ARG 32 H ARG 32 -9.321 -3.340 3.623
256 HA ARG 32 HA ARG 32 -10.675 -3.553 6.205
257 1HB ARG 32 1HB ARG 32 -9.113 -1.476 4.806
258 2HB ARG 32 2HB ARG 32 -10.475 -0.880 5.744
259 1HG ARG 32 1HG ARG 32 -9.189 -2.724 7.402
260 2HG ARG 32 2HG ARG 32 -7.900 -1.797 6.632
261 1HD ARG 32 1HD ARG 32 -8.272 -0.227 8.166
262 2HD ARG 32 2HD ARG 32 -9.775 0.119 7.315
263 HE ARG 32 HE ARG 32 -9.466 -1.363 9.802
264 1HH1 ARG 32 1HH1 ARG 32 -11.613 -0.331 7.232
265 2HH1 ARG 32 2HH1 ARG 32 -13.049 -0.618 8.153
266 1HH2 ARG 32 1HH2 ARG 32 -11.363 -1.741 11.004
267 2HH2 ARG 32 2HH2 ARG 32 -12.908 -1.419 10.291
268 H ARG 33 H ARG 33 -12.748 -2.892 6.583
269 HA ARG 33 HA ARG 33 -14.283 -1.798 4.334
270 1HB ARG 33 1HB ARG 33 -16.178 -3.342 4.967
271 2HB ARG 33 2HB ARG 33 -14.801 -4.110 4.195
272 1HG ARG 33 1HG ARG 33 -14.843 -4.041 7.159
273 2HG ARG 33 2HG ARG 33 -15.974 -5.121 6.344
274 1HD ARG 33 1HD ARG 33 -14.357 -6.562 5.820
275 2HD ARG 33 2HD ARG 33 -13.317 -5.281 5.200
276 HE ARG 33 HE ARG 33 -13.057 -4.983 7.856
277 1HH1 ARG 33 1HH1 ARG 33 -12.802 -7.804 5.794
278 2HH1 ARG 33 2HH1 ARG 33 -11.669 -8.606 6.827
279 1HH2 ARG 33 1HH2 ARG 33 -11.561 -6.045 9.209
280 2HH2 ARG 33 2HH2 ARG 33 -10.964 -7.609 8.766
Start of MODEL 24
1 H TYR 1 H TYR 1 -13.813 14.430 2.309
2 HA TYR 1 HA TYR 1 -12.551 12.831 1.200
3 1HB TYR 1 1HB TYR 1 -15.538 12.420 0.952
4 2HB TYR 1 2HB TYR 1 -14.366 11.124 0.741
5 HD1 TYR 1 HD1 TYR 1 -13.061 10.306 2.659
6 HD2 TYR 1 HD2 TYR 1 -16.067 13.278 3.134
7 HE1 TYR 1 HE1 TYR 1 -13.069 9.901 5.083
8 HE2 TYR 1 HE2 TYR 1 -16.085 12.883 5.560
9 HH TYR 1 HH TYR 1 -15.299 10.540 7.048
10 H LYS 2 H LYS 2 -11.397 12.991 -0.638
11 HA LYS 2 HA LYS 2 -12.640 12.324 -3.135
12 1HB LYS 2 1HB LYS 2 -12.866 14.919 -2.700
13 2HB LYS 2 2HB LYS 2 -11.190 14.939 -3.231
14 1HG LYS 2 1HG LYS 2 -12.089 13.573 -5.252
15 2HG LYS 2 2HG LYS 2 -13.652 14.231 -4.762
16 1HD LYS 2 1HD LYS 2 -12.506 16.513 -4.791
17 2HD LYS 2 2HD LYS 2 -11.194 15.712 -5.659
18 1HE LYS 2 1HE LYS 2 -12.835 14.965 -7.358
19 2HE LYS 2 2HE LYS 2 -14.083 15.882 -6.515
20 1HZ LYS 2 1HZ LYS 2 -11.629 17.010 -7.754
21 2HZ LYS 2 2HZ LYS 2 -12.795 17.901 -6.913
22 3HZ LYS 2 3HZ LYS 2 -13.202 17.135 -8.365
23 H PHE 3 H PHE 3 -10.805 10.862 -1.866
24 HA PHE 3 HA PHE 3 -8.594 10.877 -3.713
25 1HB PHE 3 1HB PHE 3 -8.117 12.406 -1.575
26 2HB PHE 3 2HB PHE 3 -7.704 10.849 -0.870
27 HD1 PHE 3 HD1 PHE 3 -6.810 13.334 -3.409
28 HD2 PHE 3 HD2 PHE 3 -5.755 9.643 -1.588
29 HE1 PHE 3 HE1 PHE 3 -4.581 13.465 -4.438
30 HE2 PHE 3 HE2 PHE 3 -3.522 9.757 -2.608
31 HZ PHE 3 HZ PHE 3 -2.933 11.676 -4.041
32 H ALA 4 H ALA 4 -8.285 8.824 -4.264
33 HA ALA 4 HA ALA 4 -8.751 6.736 -2.271
34 1HB ALA 4 1HB ALA 4 -9.416 6.608 -5.204
35 2HB ALA 4 2HB ALA 4 -10.573 6.745 -3.880
36 3HB ALA 4 3HB ALA 4 -9.598 5.285 -4.052
37 H CYS 5 H CYS 5 -7.321 5.037 -2.185
38 HA CYS 5 HA CYS 5 -4.685 5.479 -3.069
39 1HB CYS 5 1HB CYS 5 -5.845 2.823 -2.223
40 2HB CYS 5 2HB CYS 5 -4.166 3.338 -2.120
41 HG CYS 5 HG CYS 5 -4.840 4.930 -0.171
42 HA PRO 6 HA PRO 6 -4.529 3.779 -7.138
43 1HB PRO 6 1HB PRO 6 -1.975 2.474 -6.485
44 2HB PRO 6 2HB PRO 6 -2.310 3.770 -7.637
45 1HG PRO 6 1HG PRO 6 -0.972 4.212 -5.344
46 2HG PRO 6 2HG PRO 6 -2.053 5.425 -6.055
47 1HD PRO 6 1HD PRO 6 -2.539 3.564 -3.761
48 2HD PRO 6 2HD PRO 6 -3.002 5.267 -3.949
49 H GLU 7 H GLU 7 -4.157 1.701 -4.359
50 HA GLU 7 HA GLU 7 -4.560 -0.704 -5.969
51 1HB GLU 7 1HB GLU 7 -3.674 -0.197 -3.153
52 2HB GLU 7 2HB GLU 7 -4.298 -1.777 -3.604
53 1HG GLU 7 1HG GLU 7 -2.425 -1.080 -5.575
54 2HG GLU 7 2HG GLU 7 -1.699 -0.661 -4.025
55 H CYS 8 H CYS 8 -6.020 0.873 -3.088
56 HA CYS 8 HA CYS 8 -8.451 -0.695 -3.606
57 1HB CYS 8 1HB CYS 8 -9.110 -0.336 -1.345
58 2HB CYS 8 2HB CYS 8 -7.470 -0.907 -1.351
59 HG CYS 8 HG CYS 8 -6.784 1.662 -0.893
60 HA PRO 9 HA PRO 9 -10.879 2.803 -4.545
61 1HB PRO 9 1HB PRO 9 -13.301 1.896 -3.883
62 2HB PRO 9 2HB PRO 9 -12.350 1.122 -5.158
63 1HG PRO 9 1HG PRO 9 -12.797 0.256 -2.333
64 2HG PRO 9 2HG PRO 9 -12.701 -0.724 -3.806
65 1HD PRO 9 1HD PRO 9 -10.614 -0.327 -1.987
66 2HD PRO 9 2HD PRO 9 -10.431 -0.911 -3.644
67 H LYS 10 H LYS 10 -10.441 1.935 -1.272
68 HA LYS 10 HA LYS 10 -12.268 3.269 0.216
69 1HB LYS 10 1HB LYS 10 -9.366 2.740 0.567
70 2HB LYS 10 2HB LYS 10 -10.115 3.887 1.668
71 1HG LYS 10 1HG LYS 10 -10.227 1.817 2.756
72 2HG LYS 10 2HG LYS 10 -11.852 2.095 2.125
73 1HD LYS 10 1HD LYS 10 -11.391 0.632 0.236
74 2HD LYS 10 2HD LYS 10 -9.737 0.395 0.803
75 1HE LYS 10 1HE LYS 10 -10.372 -0.991 2.502
76 2HE LYS 10 2HE LYS 10 -11.945 -0.220 2.689
77 1HZ LYS 10 1HZ LYS 10 -12.723 -1.324 0.721
78 2HZ LYS 10 2HZ LYS 10 -12.079 -2.482 1.773
79 3HZ LYS 10 3HZ LYS 10 -11.194 -1.984 0.420
80 H ARG 11 H ARG 11 -12.888 5.276 0.593
81 HA ARG 11 HA ARG 11 -11.449 7.459 -0.732
82 1HB ARG 11 1HB ARG 11 -13.529 8.746 -0.480
83 2HB ARG 11 2HB ARG 11 -13.799 7.240 -1.341
84 1HG ARG 11 1HG ARG 11 -14.234 6.745 1.417
85 2HG ARG 11 2HG ARG 11 -15.098 8.220 0.984
86 1HD ARG 11 1HD ARG 11 -16.664 6.594 0.512
87 2HD ARG 11 2HD ARG 11 -15.907 6.833 -1.059
88 HE ARG 11 HE ARG 11 -15.463 4.553 0.744
89 1HH1 ARG 11 1HH1 ARG 11 -15.149 6.003 -2.437
90 2HH1 ARG 11 2HH1 ARG 11 -14.634 4.530 -3.184
91 1HH2 ARG 11 1HH2 ARG 11 -14.786 2.627 -0.255
92 2HH2 ARG 11 2HH2 ARG 11 -14.428 2.616 -1.949
93 H PHE 12 H PHE 12 -10.150 8.666 0.457
94 HA PHE 12 HA PHE 12 -10.582 8.819 3.361
95 1HB PHE 12 1HB PHE 12 -8.128 9.576 1.766
96 2HB PHE 12 2HB PHE 12 -8.254 9.549 3.515
97 HD1 PHE 12 HD1 PHE 12 -7.101 7.838 4.484
98 HD2 PHE 12 HD2 PHE 12 -9.005 7.128 0.743
99 HE1 PHE 12 HE1 PHE 12 -6.274 5.523 4.504
100 HE2 PHE 12 HE2 PHE 12 -8.185 4.810 0.761
101 HZ PHE 12 HZ PHE 12 -6.809 3.999 2.642
102 H MET 13 H MET 13 -9.559 11.040 4.218
103 HA MET 13 HA MET 13 -11.249 13.108 3.088
104 1HB MET 13 1HB MET 13 -10.943 12.595 5.589
105 2HB MET 13 2HB MET 13 -9.408 13.438 5.444
106 1HG MET 13 1HG MET 13 -10.621 15.228 6.021
107 2HG MET 13 2HG MET 13 -11.056 15.245 4.313
108 1HE MET 13 1HE MET 13 -12.509 15.291 7.885
109 2HE MET 13 2HE MET 13 -14.055 15.827 7.225
110 3HE MET 13 3HE MET 13 -12.560 16.603 6.707
111 H ARG 14 H ARG 14 -7.784 12.471 3.499
112 HA ARG 14 HA ARG 14 -7.233 14.638 1.589
113 1HB ARG 14 1HB ARG 14 -5.815 14.182 4.218
114 2HB ARG 14 2HB ARG 14 -5.177 15.198 2.935
115 1HG ARG 14 1HG ARG 14 -6.219 16.847 4.028
116 2HG ARG 14 2HG ARG 14 -7.666 16.235 3.223
117 1HD ARG 14 1HD ARG 14 -8.456 15.212 5.118
118 2HD ARG 14 2HD ARG 14 -6.847 15.004 5.807
119 HE ARG 14 HE ARG 14 -7.310 17.725 5.753
120 1HH1 ARG 14 1HH1 ARG 14 -8.797 14.929 7.245
121 2HH1 ARG 14 2HH1 ARG 14 -9.375 15.813 8.615
122 1HH2 ARG 14 1HH2 ARG 14 -8.074 18.886 7.562
123 2HH2 ARG 14 2HH2 ARG 14 -8.965 18.060 8.796
124 H SER 15 H SER 15 -5.138 14.460 0.527
125 HA SER 15 HA SER 15 -4.636 11.919 -0.502
126 1HB SER 15 1HB SER 15 -2.572 12.941 -1.454
127 2HB SER 15 2HB SER 15 -4.012 13.917 -1.724
128 HG SER 15 HG SER 15 -1.783 14.427 -0.152
129 H ASP 16 H ASP 16 -2.972 13.692 2.082
130 HA ASP 16 HA ASP 16 -0.869 11.859 2.463
131 1HB ASP 16 1HB ASP 16 -0.843 12.882 4.845
132 2HB ASP 16 2HB ASP 16 -0.489 13.921 3.471
133 H HIS 17 H HIS 17 -4.176 11.905 3.675
134 HA HIS 17 HA HIS 17 -3.972 10.039 5.741
135 1HB HIS 17 1HB HIS 17 -6.207 10.702 3.832
136 2HB HIS 17 2HB HIS 17 -6.391 9.447 5.048
137 HD1 HIS 17 HD1 HIS 17 -8.317 10.991 6.019
138 HD2 HIS 17 HD2 HIS 17 -4.472 12.533 6.301
139 HE1 HIS 17 HE1 HIS 17 -8.467 12.866 7.686
140 HE2 HIS 17 HE2 HIS 17 -6.146 13.843 7.770
141 H LEU 18 H LEU 18 -3.913 9.616 2.278
142 HA LEU 18 HA LEU 18 -4.140 6.715 2.462
143 1HB LEU 18 1HB LEU 18 -3.664 8.479 0.071
144 2HB LEU 18 2HB LEU 18 -3.979 6.758 0.027
145 HG LEU 18 HG LEU 18 -6.211 7.333 1.154
146 1HD1 LEU 18 1HD1 LEU 18 -6.901 9.692 0.262
147 2HD1 LEU 18 2HD1 LEU 18 -5.176 10.021 0.399
148 3HD1 LEU 18 3HD1 LEU 18 -6.094 9.526 1.820
149 1HD2 LEU 18 1HD2 LEU 18 -6.589 6.595 -0.931
150 2HD2 LEU 18 2HD2 LEU 18 -5.322 7.610 -1.625
151 3HD2 LEU 18 3HD2 LEU 18 -6.906 8.296 -1.266
152 H SER 19 H SER 19 -1.848 9.148 1.257
153 HA SER 19 HA SER 19 0.224 7.671 0.404
154 1HB SER 19 1HB SER 19 0.330 10.091 0.407
155 2HB SER 19 2HB SER 19 0.405 10.127 2.169
156 HG SER 19 HG SER 19 2.460 10.342 0.997
157 H LYS 20 H LYS 20 -0.593 8.133 3.809
158 HA LYS 20 HA LYS 20 1.701 6.590 4.700
159 1HB LYS 20 1HB LYS 20 0.490 8.599 5.897
160 2HB LYS 20 2HB LYS 20 -0.592 7.343 6.481
161 1HG LYS 20 1HG LYS 20 2.263 6.750 6.806
162 2HG LYS 20 2HG LYS 20 1.678 8.138 7.726
163 1HD LYS 20 1HD LYS 20 -0.203 6.646 8.530
164 2HD LYS 20 2HD LYS 20 0.690 5.296 7.827
165 1HE LYS 20 1HE LYS 20 2.028 7.174 9.736
166 2HE LYS 20 2HE LYS 20 1.008 5.869 10.338
167 1HZ LYS 20 1HZ LYS 20 3.391 5.552 8.592
168 2HZ LYS 20 2HZ LYS 20 2.399 4.290 9.127
169 3HZ LYS 20 3HZ LYS 20 3.307 5.179 10.242
170 H HIS 21 H HIS 21 -1.733 6.147 4.133
171 HA HIS 21 HA HIS 21 -1.868 3.580 5.427
172 1HB HIS 21 1HB HIS 21 -3.955 4.488 5.518
173 2HB HIS 21 2HB HIS 21 -3.749 5.385 4.021
174 HD1 HIS 21 HD1 HIS 21 -5.747 2.760 5.323
175 HD2 HIS 21 HD2 HIS 21 -3.762 3.379 1.736
176 HE1 HIS 21 HE1 HIS 21 -6.871 1.258 3.623
177 H ILE 22 H ILE 22 -1.290 4.733 2.146
178 HA ILE 22 HA ILE 22 -1.815 2.298 0.832
179 HB ILE 22 HB ILE 22 -0.077 3.247 -0.890
180 1HG1 ILE 22 1HG1 ILE 22 -0.810 5.939 -0.208
181 2HG1 ILE 22 2HG1 ILE 22 0.062 5.192 1.127
182 1HG2 ILE 22 1HG2 ILE 22 -2.847 4.245 -0.318
183 2HG2 ILE 22 2HG2 ILE 22 -2.315 3.082 -1.533
184 3HG2 ILE 22 3HG2 ILE 22 -1.944 4.795 -1.730
185 1HD1 ILE 22 1HD1 ILE 22 1.488 6.420 -0.500
186 2HD1 ILE 22 2HD1 ILE 22 1.059 5.205 -1.703
187 3HD1 ILE 22 3HD1 ILE 22 1.943 4.734 -0.251
188 H THR 23 H THR 23 1.222 3.604 2.086
189 HA THR 23 HA THR 23 2.916 1.617 1.195
190 HB THR 23 HB THR 23 3.355 3.808 2.592
191 HG1 THR 23 HG1 THR 23 5.170 2.964 1.917
192 1HG2 THR 23 1HG2 THR 23 3.680 1.787 4.784
193 2HG2 THR 23 2HG2 THR 23 2.284 2.859 4.665
194 3HG2 THR 23 3HG2 THR 23 3.902 3.534 4.858
195 H LEU 24 H LEU 24 0.615 1.461 3.818
196 HA LEU 24 HA LEU 24 1.608 -1.171 4.637
197 1HB LEU 24 1HB LEU 24 -0.083 -0.964 6.466
198 2HB LEU 24 2HB LEU 24 1.159 0.276 6.481
199 HG LEU 24 HG LEU 24 -0.760 1.476 4.993
200 1HD1 LEU 24 1HD1 LEU 24 -2.849 0.838 5.431
201 2HD1 LEU 24 2HD1 LEU 24 -2.507 0.571 7.143
202 3HD1 LEU 24 3HD1 LEU 24 -2.122 -0.679 5.961
203 1HD2 LEU 24 1HD2 LEU 24 -0.619 1.594 7.996
204 2HD2 LEU 24 2HD2 LEU 24 -1.185 2.857 6.902
205 3HD2 LEU 24 3HD2 LEU 24 0.516 2.394 6.909
206 H HIS 25 H HIS 25 -1.334 0.385 3.391
207 HA HIS 25 HA HIS 25 -2.858 -2.007 3.291
208 1HB HIS 25 1HB HIS 25 -4.511 -0.551 2.950
209 2HB HIS 25 2HB HIS 25 -3.352 0.755 2.837
210 HD1 HIS 25 HD1 HIS 25 -5.020 -1.790 0.543
211 HD2 HIS 25 HD2 HIS 25 -3.359 2.021 0.465
212 HE1 HIS 25 HE1 HIS 25 -5.508 -0.845 -1.749
213 H GLU 26 H GLU 26 -0.590 -0.473 1.102
214 HA GLU 26 HA GLU 26 -1.286 -2.293 -1.062
215 1HB GLU 26 1HB GLU 26 -0.003 -0.983 -2.459
216 2HB GLU 26 2HB GLU 26 -0.499 0.208 -1.269
217 1HG GLU 26 1HG GLU 26 1.710 0.701 -1.385
218 2HG GLU 26 2HG GLU 26 1.767 -0.522 -0.117
219 H LEU 27 H LEU 27 0.894 -2.082 1.610
220 HA LEU 27 HA LEU 27 3.099 -3.532 0.802
221 1HB LEU 27 1HB LEU 27 3.103 -2.633 2.985
222 2HB LEU 27 2HB LEU 27 1.620 -3.456 3.418
223 1HD1 LEU 27 1HD1 LEU 27 3.937 -3.648 5.288
224 2HD1 LEU 27 2HD1 LEU 27 5.022 -3.406 3.920
225 3HD1 LEU 27 3HD1 LEU 27 5.043 -4.933 4.803
226 1HD2 LEU 27 1HD2 LEU 27 2.980 -6.109 5.064
227 2HD2 LEU 27 2HD2 LEU 27 2.112 -6.426 3.561
228 3HD2 LEU 27 3HD2 LEU 27 1.584 -5.124 4.626
229 H LEU 28 H LEU 28 -0.044 -4.791 1.893
230 HA LEU 28 HA LEU 28 0.727 -7.536 1.523
231 1HB LEU 28 1HB LEU 28 -1.795 -6.110 2.256
232 2HB LEU 28 2HB LEU 28 -1.890 -7.775 1.717
233 HG LEU 28 HG LEU 28 -0.049 -6.997 3.956
234 1HD1 LEU 28 1HD1 LEU 28 -1.838 -7.586 5.531
235 2HD1 LEU 28 2HD1 LEU 28 -2.974 -7.685 4.185
236 3HD1 LEU 28 3HD1 LEU 28 -2.223 -6.143 4.594
237 1HD2 LEU 28 1HD2 LEU 28 -0.463 -9.348 4.613
238 2HD2 LEU 28 2HD2 LEU 28 0.280 -9.193 3.021
239 3HD2 LEU 28 3HD2 LEU 28 -1.442 -9.550 3.159
240 H GLY 29 H GLY 29 -1.293 -5.195 -0.232
241 1HA GLY 29 1HA GLY 29 -0.907 -5.420 -2.739
242 2HA GLY 29 2HA GLY 29 -1.413 -7.085 -2.496
243 H GLU 30 H GLU 30 -3.144 -6.812 -3.950
244 HA GLU 30 HA GLU 30 -5.294 -5.015 -3.058
245 1HB GLU 30 1HB GLU 30 -6.273 -5.425 -5.325
246 2HB GLU 30 2HB GLU 30 -4.716 -4.612 -5.342
247 1HG GLU 30 1HG GLU 30 -4.443 -7.493 -5.520
248 2HG GLU 30 2HG GLU 30 -5.441 -6.832 -6.815
249 H GLU 31 H GLU 31 -4.516 -8.385 -3.675
250 HA GLU 31 HA GLU 31 -7.179 -9.366 -3.489
251 1HB GLU 31 1HB GLU 31 -5.154 -10.534 -4.524
252 2HB GLU 31 2HB GLU 31 -4.685 -10.948 -2.881
253 1HG GLU 31 1HG GLU 31 -5.820 -12.822 -3.701
254 2HG GLU 31 2HG GLU 31 -6.970 -12.009 -2.640
255 H ARG 32 H ARG 32 -8.285 -8.828 -1.694
256 HA ARG 32 HA ARG 32 -7.054 -9.341 0.926
257 1HB ARG 32 1HB ARG 32 -8.084 -7.055 0.281
258 2HB ARG 32 2HB ARG 32 -9.635 -7.856 0.496
259 1HG ARG 32 1HG ARG 32 -8.478 -8.543 2.807
260 2HG ARG 32 2HG ARG 32 -7.631 -7.026 2.499
261 1HD ARG 32 1HD ARG 32 -9.567 -6.530 3.806
262 2HD ARG 32 2HD ARG 32 -9.853 -5.939 2.170
263 HE ARG 32 HE ARG 32 -11.564 -7.445 1.950
264 1HH1 ARG 32 1HH1 ARG 32 -9.663 -8.323 4.761
265 2HH1 ARG 32 2HH1 ARG 32 -10.791 -9.520 5.299
266 1HH2 ARG 32 1HH2 ARG 32 -13.044 -9.023 2.672
267 2HH2 ARG 32 2HH2 ARG 32 -12.706 -9.918 4.114
268 H ARG 33 H ARG 33 -7.558 -11.669 0.012
269 HA ARG 33 HA ARG 33 -10.303 -12.470 0.639
270 1HB ARG 33 1HB ARG 33 -8.014 -13.978 -0.636
271 2HB ARG 33 2HB ARG 33 -9.583 -14.689 -0.282
272 1HG ARG 33 1HG ARG 33 -10.511 -12.734 -1.711
273 2HG ARG 33 2HG ARG 33 -8.857 -12.630 -2.319
274 1HD ARG 33 1HD ARG 33 -9.173 -15.233 -2.614
275 2HD ARG 33 2HD ARG 33 -10.879 -14.792 -2.649
276 HE ARG 33 HE ARG 33 -8.917 -14.305 -4.687
277 1HH1 ARG 33 1HH1 ARG 33 -11.968 -13.212 -3.357
278 2HH1 ARG 33 2HH1 ARG 33 -12.482 -12.467 -4.832
279 1HH2 ARG 33 1HH2 ARG 33 -9.602 -13.319 -6.625
280 2HH2 ARG 33 2HH2 ARG 33 -11.141 -12.528 -6.687
Start of MODEL 25
1 H TYR 1 H TYR 1 -12.945 15.062 0.079
2 HA TYR 1 HA TYR 1 -12.630 12.836 0.839
3 1HB TYR 1 1HB TYR 1 -15.460 13.159 1.442
4 2HB TYR 1 2HB TYR 1 -15.158 11.684 0.529
5 HD1 TYR 1 HD1 TYR 1 -14.806 9.785 1.778
6 HD2 TYR 1 HD2 TYR 1 -13.614 13.532 3.400
7 HE1 TYR 1 HE1 TYR 1 -14.079 8.656 3.837
8 HE2 TYR 1 HE2 TYR 1 -12.882 12.414 5.463
9 HH TYR 1 HH TYR 1 -13.764 9.777 6.540
10 H LYS 2 H LYS 2 -11.633 13.096 -1.216
11 HA LYS 2 HA LYS 2 -12.984 11.639 -3.318
12 1HB LYS 2 1HB LYS 2 -13.304 14.340 -3.393
13 2HB LYS 2 2HB LYS 2 -11.832 14.161 -4.336
14 1HG LYS 2 1HG LYS 2 -13.643 12.193 -5.243
15 2HG LYS 2 2HG LYS 2 -14.532 13.713 -5.119
16 1HD LYS 2 1HD LYS 2 -12.955 14.826 -6.536
17 2HD LYS 2 2HD LYS 2 -11.875 13.431 -6.516
18 1HE LYS 2 1HE LYS 2 -14.670 13.090 -7.500
19 2HE LYS 2 2HE LYS 2 -13.484 13.867 -8.547
20 1HZ LYS 2 1HZ LYS 2 -12.076 11.919 -8.349
21 2HZ LYS 2 2HZ LYS 2 -13.600 11.483 -8.937
22 3HZ LYS 2 3HZ LYS 2 -13.198 11.174 -7.323
23 H PHE 3 H PHE 3 -10.828 10.839 -1.842
24 HA PHE 3 HA PHE 3 -8.743 10.732 -3.887
25 1HB PHE 3 1HB PHE 3 -8.309 12.498 -1.982
26 2HB PHE 3 2HB PHE 3 -7.879 11.076 -1.039
27 HD1 PHE 3 HD1 PHE 3 -6.898 13.297 -3.744
28 HD2 PHE 3 HD2 PHE 3 -5.952 9.713 -1.670
29 HE1 PHE 3 HE1 PHE 3 -4.640 13.331 -4.719
30 HE2 PHE 3 HE2 PHE 3 -3.690 9.731 -2.632
31 HZ PHE 3 HZ PHE 3 -3.032 11.548 -4.165
32 H ALA 4 H ALA 4 -8.710 8.630 -4.348
33 HA ALA 4 HA ALA 4 -8.829 6.701 -2.156
34 1HB ALA 4 1HB ALA 4 -9.567 6.297 -5.047
35 2HB ALA 4 2HB ALA 4 -10.695 6.503 -3.707
36 3HB ALA 4 3HB ALA 4 -9.662 5.075 -3.779
37 H CYS 5 H CYS 5 -7.426 4.912 -2.153
38 HA CYS 5 HA CYS 5 -4.787 5.443 -3.008
39 1HB CYS 5 1HB CYS 5 -5.914 2.768 -2.160
40 2HB CYS 5 2HB CYS 5 -4.231 3.278 -2.097
41 HG CYS 5 HG CYS 5 -5.966 3.497 0.172
42 HA PRO 6 HA PRO 6 -4.585 3.751 -7.081
43 1HB PRO 6 1HB PRO 6 -2.151 2.525 -7.075
44 2HB PRO 6 2HB PRO 6 -2.354 4.279 -7.153
45 1HG PRO 6 1HG PRO 6 -1.732 2.546 -4.791
46 2HG PRO 6 2HG PRO 6 -1.024 4.106 -5.253
47 1HD PRO 6 1HD PRO 6 -2.914 3.898 -3.343
48 2HD PRO 6 2HD PRO 6 -2.812 5.307 -4.417
49 H GLU 7 H GLU 7 -4.368 1.655 -4.319
50 HA GLU 7 HA GLU 7 -4.750 -0.722 -5.992
51 1HB GLU 7 1HB GLU 7 -2.955 -0.713 -4.238
52 2HB GLU 7 2HB GLU 7 -4.218 -0.618 -3.024
53 1HG GLU 7 1HG GLU 7 -5.120 -2.755 -4.249
54 2HG GLU 7 2HG GLU 7 -3.446 -2.882 -4.789
55 H CYS 8 H CYS 8 -6.177 0.853 -3.091
56 HA CYS 8 HA CYS 8 -8.612 -0.716 -3.584
57 1HB CYS 8 1HB CYS 8 -9.289 -0.259 -1.319
58 2HB CYS 8 2HB CYS 8 -7.687 -0.939 -1.331
59 HG CYS 8 HG CYS 8 -7.982 2.128 -0.995
60 HA PRO 9 HA PRO 9 -11.020 2.787 -4.566
61 1HB PRO 9 1HB PRO 9 -13.453 1.864 -3.965
62 2HB PRO 9 2HB PRO 9 -12.474 1.102 -5.223
63 1HG PRO 9 1HG PRO 9 -12.978 0.216 -2.416
64 2HG PRO 9 2HG PRO 9 -12.846 -0.755 -3.893
65 1HD PRO 9 1HD PRO 9 -10.802 -0.356 -2.022
66 2HD PRO 9 2HD PRO 9 -10.582 -0.940 -3.676
67 H LYS 10 H LYS 10 -10.440 2.019 -1.352
68 HA LYS 10 HA LYS 10 -12.361 3.322 0.136
69 1HB LYS 10 1HB LYS 10 -9.463 2.746 0.547
70 2HB LYS 10 2HB LYS 10 -10.265 3.835 1.670
71 1HG LYS 10 1HG LYS 10 -12.039 1.858 1.714
72 2HG LYS 10 2HG LYS 10 -10.611 0.921 1.267
73 1HD LYS 10 1HD LYS 10 -9.422 1.769 3.215
74 2HD LYS 10 2HD LYS 10 -10.811 2.768 3.647
75 1HE LYS 10 1HE LYS 10 -11.047 -0.211 3.363
76 2HE LYS 10 2HE LYS 10 -10.498 0.528 4.866
77 1HZ LYS 10 1HZ LYS 10 -12.575 1.811 4.913
78 2HZ LYS 10 2HZ LYS 10 -12.856 0.144 4.954
79 3HZ LYS 10 3HZ LYS 10 -13.103 1.007 3.521
80 H ARG 11 H ARG 11 -12.971 5.346 0.378
81 HA ARG 11 HA ARG 11 -11.377 7.468 -0.854
82 1HB ARG 11 1HB ARG 11 -13.471 8.850 -0.471
83 2HB ARG 11 2HB ARG 11 -13.616 7.530 -1.621
84 1HG ARG 11 1HG ARG 11 -14.937 6.263 -0.202
85 2HG ARG 11 2HG ARG 11 -14.401 7.132 1.237
86 1HD ARG 11 1HD ARG 11 -16.231 8.383 1.084
87 2HD ARG 11 2HD ARG 11 -15.576 9.066 -0.404
88 HE ARG 11 HE ARG 11 -16.893 6.593 -0.892
89 1HH1 ARG 11 1HH1 ARG 11 -17.506 9.985 -0.278
90 2HH1 ARG 11 2HH1 ARG 11 -19.029 9.984 -1.100
91 1HH2 ARG 11 1HH2 ARG 11 -18.902 6.598 -1.973
92 2HH2 ARG 11 2HH2 ARG 11 -19.822 8.062 -2.062
93 H PHE 12 H PHE 12 -10.053 8.586 0.394
94 HA PHE 12 HA PHE 12 -10.523 8.699 3.283
95 1HB PHE 12 1HB PHE 12 -8.097 9.543 1.683
96 2HB PHE 12 2HB PHE 12 -8.209 9.526 3.432
97 HD1 PHE 12 HD1 PHE 12 -6.974 7.867 4.386
98 HD2 PHE 12 HD2 PHE 12 -8.952 7.053 0.706
99 HE1 PHE 12 HE1 PHE 12 -6.090 5.571 4.420
100 HE2 PHE 12 HE2 PHE 12 -8.078 4.756 0.739
101 HZ PHE 12 HZ PHE 12 -6.635 4.006 2.595
102 H MET 13 H MET 13 -9.210 11.039 3.952
103 HA MET 13 HA MET 13 -11.092 13.047 2.946
104 1HB MET 13 1HB MET 13 -10.669 12.468 5.469
105 2HB MET 13 2HB MET 13 -9.269 13.513 5.274
106 1HG MET 13 1HG MET 13 -10.704 15.345 4.591
107 2HG MET 13 2HG MET 13 -12.118 14.302 4.713
108 1HE MET 13 1HE MET 13 -13.067 16.362 6.110
109 2HE MET 13 2HE MET 13 -13.172 16.048 7.843
110 3HE MET 13 3HE MET 13 -13.678 14.813 6.692
111 H ARG 14 H ARG 14 -7.626 12.455 3.356
112 HA ARG 14 HA ARG 14 -7.091 14.614 1.441
113 1HB ARG 14 1HB ARG 14 -5.775 14.269 4.135
114 2HB ARG 14 2HB ARG 14 -5.055 15.216 2.842
115 1HG ARG 14 1HG ARG 14 -6.147 16.935 3.742
116 2HG ARG 14 2HG ARG 14 -7.579 16.255 2.968
117 1HD ARG 14 1HD ARG 14 -7.947 14.913 5.059
118 2HD ARG 14 2HD ARG 14 -6.652 15.846 5.807
119 HE ARG 14 HE ARG 14 -9.338 16.730 5.240
120 1HH1 ARG 14 1HH1 ARG 14 -6.054 17.746 5.906
121 2HH1 ARG 14 2HH1 ARG 14 -6.526 19.306 6.490
122 1HH2 ARG 14 1HH2 ARG 14 -9.953 18.785 6.007
123 2HH2 ARG 14 2HH2 ARG 14 -8.740 19.896 6.548
124 H SER 15 H SER 15 -4.963 14.461 0.428
125 HA SER 15 HA SER 15 -4.374 11.923 -0.548
126 1HB SER 15 1HB SER 15 -3.655 13.815 -1.810
127 2HB SER 15 2HB SER 15 -2.718 14.451 -0.459
128 HG SER 15 HG SER 15 -2.171 12.055 -1.885
129 H ASP 16 H ASP 16 -2.862 13.718 2.114
130 HA ASP 16 HA ASP 16 -0.785 11.886 2.634
131 1HB ASP 16 1HB ASP 16 -0.914 12.935 5.010
132 2HB ASP 16 2HB ASP 16 -0.439 13.943 3.649
133 H HIS 17 H HIS 17 -4.140 12.011 3.739
134 HA HIS 17 HA HIS 17 -4.054 10.138 5.797
135 1HB HIS 17 1HB HIS 17 -6.206 10.832 3.804
136 2HB HIS 17 2HB HIS 17 -6.459 9.596 5.026
137 HD1 HIS 17 HD1 HIS 17 -8.383 11.196 5.918
138 HD2 HIS 17 HD2 HIS 17 -4.516 12.654 6.310
139 HE1 HIS 17 HE1 HIS 17 -8.546 13.098 7.553
140 HE2 HIS 17 HE2 HIS 17 -6.212 14.035 7.688
141 H LEU 18 H LEU 18 -3.890 9.701 2.338
142 HA LEU 18 HA LEU 18 -4.195 6.812 2.492
143 1HB LEU 18 1HB LEU 18 -3.540 8.637 0.194
144 2HB LEU 18 2HB LEU 18 -3.747 6.906 0.056
145 HG LEU 18 HG LEU 18 -6.109 7.337 1.009
146 1HD1 LEU 18 1HD1 LEU 18 -5.187 10.085 0.268
147 2HD1 LEU 18 2HD1 LEU 18 -6.085 9.556 1.690
148 3HD1 LEU 18 3HD1 LEU 18 -6.886 9.635 0.121
149 1HD2 LEU 18 1HD2 LEU 18 -5.076 7.928 -1.723
150 2HD2 LEU 18 2HD2 LEU 18 -6.801 8.064 -1.377
151 3HD2 LEU 18 3HD2 LEU 18 -5.973 6.524 -1.146
152 H SER 19 H SER 19 -1.755 9.169 1.449
153 HA SER 19 HA SER 19 0.327 7.660 0.729
154 1HB SER 19 1HB SER 19 0.513 10.067 0.777
155 2HB SER 19 2HB SER 19 0.444 10.086 2.539
156 HG SER 19 HG SER 19 2.542 9.365 0.835
157 H LYS 20 H LYS 20 -0.631 8.154 4.108
158 HA LYS 20 HA LYS 20 1.551 6.559 5.122
159 1HB LYS 20 1HB LYS 20 0.417 8.495 6.337
160 2HB LYS 20 2HB LYS 20 -0.922 7.394 6.633
161 1HG LYS 20 1HG LYS 20 1.029 5.863 7.567
162 2HG LYS 20 2HG LYS 20 1.802 7.430 7.800
163 1HD LYS 20 1HD LYS 20 0.690 7.090 9.813
164 2HD LYS 20 2HD LYS 20 -0.428 8.112 8.910
165 1HE LYS 20 1HE LYS 20 -1.707 6.132 8.252
166 2HE LYS 20 2HE LYS 20 -0.583 5.107 9.141
167 1HZ LYS 20 1HZ LYS 20 -1.245 6.192 11.185
168 2HZ LYS 20 2HZ LYS 20 -2.605 5.560 10.403
169 3HZ LYS 20 3HZ LYS 20 -2.292 7.222 10.343
170 H HIS 21 H HIS 21 -1.820 6.069 4.270
171 HA HIS 21 HA HIS 21 -1.960 3.455 5.497
172 1HB HIS 21 1HB HIS 21 -4.055 4.366 5.564
173 2HB HIS 21 2HB HIS 21 -3.831 5.269 4.075
174 HD1 HIS 21 HD1 HIS 21 -5.924 2.739 5.296
175 HD2 HIS 21 HD2 HIS 21 -3.701 3.152 1.819
176 HE1 HIS 21 HE1 HIS 21 -7.009 1.229 3.577
177 H ILE 22 H ILE 22 -1.402 4.746 2.249
178 HA ILE 22 HA ILE 22 -1.778 2.312 0.874
179 HB ILE 22 HB ILE 22 -0.174 3.398 -0.853
180 1HG1 ILE 22 1HG1 ILE 22 -0.904 6.051 -0.093
181 2HG1 ILE 22 2HG1 ILE 22 -0.045 5.287 1.239
182 1HG2 ILE 22 1HG2 ILE 22 -2.971 4.033 -0.148
183 2HG2 ILE 22 2HG2 ILE 22 -2.300 3.352 -1.629
184 3HG2 ILE 22 3HG2 ILE 22 -2.198 5.087 -1.331
185 1HD1 ILE 22 1HD1 ILE 22 1.391 6.550 -0.361
186 2HD1 ILE 22 2HD1 ILE 22 0.986 5.339 -1.578
187 3HD1 ILE 22 3HD1 ILE 22 1.856 4.866 -0.118
188 H THR 23 H THR 23 1.162 3.788 2.157
189 HA THR 23 HA THR 23 3.001 2.002 1.162
190 HB THR 23 HB THR 23 3.246 4.129 2.709
191 HG1 THR 23 HG1 THR 23 5.142 3.575 1.997
192 1HG2 THR 23 1HG2 THR 23 2.326 2.937 4.718
193 2HG2 THR 23 2HG2 THR 23 3.885 3.733 4.937
194 3HG2 THR 23 3HG2 THR 23 3.809 1.982 4.728
195 H LEU 24 H LEU 24 0.664 1.439 3.644
196 HA LEU 24 HA LEU 24 1.880 -1.165 4.275
197 1HB LEU 24 1HB LEU 24 0.292 -1.205 6.185
198 2HB LEU 24 2HB LEU 24 1.422 0.138 6.244
199 HG LEU 24 HG LEU 24 -0.651 1.250 4.911
200 1HD1 LEU 24 1HD1 LEU 24 -2.637 0.367 5.336
201 2HD1 LEU 24 2HD1 LEU 24 -2.256 0.125 7.043
202 3HD1 LEU 24 3HD1 LEU 24 -1.766 -1.079 5.853
203 1HD2 LEU 24 1HD2 LEU 24 -0.464 1.213 7.911
204 2HD2 LEU 24 2HD2 LEU 24 -1.060 2.513 6.877
205 3HD2 LEU 24 3HD2 LEU 24 0.655 2.103 6.877
206 H HIS 25 H HIS 25 -1.165 0.377 3.296
207 HA HIS 25 HA HIS 25 -2.615 -2.037 3.024
208 1HB HIS 25 1HB HIS 25 -4.299 -0.562 2.920
209 2HB HIS 25 2HB HIS 25 -3.175 0.765 2.717
210 HD1 HIS 25 HD1 HIS 25 -5.114 -1.731 0.622
211 HD2 HIS 25 HD2 HIS 25 -3.246 1.970 0.296
212 HE1 HIS 25 HE1 HIS 25 -5.727 -0.818 -1.652
213 H GLU 26 H GLU 26 -0.458 -0.272 0.911
214 HA GLU 26 HA GLU 26 -1.211 -1.719 -1.458
215 1HB GLU 26 1HB GLU 26 -0.163 0.546 -1.510
216 2HB GLU 26 2HB GLU 26 1.323 -0.164 -0.895
217 1HG GLU 26 1HG GLU 26 1.539 0.120 -3.248
218 2HG GLU 26 2HG GLU 26 1.408 -1.604 -2.905
219 H LEU 27 H LEU 27 0.802 -2.288 1.291
220 HA LEU 27 HA LEU 27 2.265 -4.431 -0.085
221 1HB LEU 27 1HB LEU 27 2.610 -3.106 2.596
222 2HB LEU 27 2HB LEU 27 3.473 -4.568 2.160
223 1HD1 LEU 27 1HD1 LEU 27 3.272 -1.912 -0.639
224 2HD1 LEU 27 2HD1 LEU 27 4.223 -0.821 0.369
225 3HD1 LEU 27 3HD1 LEU 27 2.609 -1.317 0.884
226 1HD2 LEU 27 1HD2 LEU 27 5.777 -3.211 2.390
227 2HD2 LEU 27 2HD2 LEU 27 4.630 -2.029 3.018
228 3HD2 LEU 27 3HD2 LEU 27 5.735 -1.581 1.719
229 H LEU 28 H LEU 28 0.884 -4.199 3.205
230 HA LEU 28 HA LEU 28 -0.060 -6.968 2.907
231 1HB LEU 28 1HB LEU 28 0.972 -5.369 5.174
232 2HB LEU 28 2HB LEU 28 -0.334 -6.477 5.547
233 HG LEU 28 HG LEU 28 1.181 -8.216 4.280
234 1HD1 LEU 28 1HD1 LEU 28 2.843 -6.576 3.548
235 2HD1 LEU 28 2HD1 LEU 28 3.555 -7.800 4.599
236 3HD1 LEU 28 3HD1 LEU 28 3.203 -6.192 5.232
237 1HD2 LEU 28 1HD2 LEU 28 1.845 -7.252 7.059
238 2HD2 LEU 28 2HD2 LEU 28 2.153 -8.860 6.401
239 3HD2 LEU 28 3HD2 LEU 28 0.495 -8.309 6.643
240 H GLY 29 H GLY 29 -1.094 -4.040 4.694
241 1HA GLY 29 1HA GLY 29 -3.218 -2.987 4.301
242 2HA GLY 29 2HA GLY 29 -3.840 -4.533 3.746
243 H GLU 30 H GLU 30 -4.311 -2.430 6.065
244 HA GLU 30 HA GLU 30 -4.100 -3.972 8.449
245 1HB GLU 30 1HB GLU 30 -5.542 -2.199 9.448
246 2HB GLU 30 2HB GLU 30 -4.118 -1.576 8.629
247 1HG GLU 30 1HG GLU 30 -6.524 -1.735 6.955
248 2HG GLU 30 2HG GLU 30 -6.637 -0.622 8.317
249 H GLU 31 H GLU 31 -5.115 -5.922 8.318
250 HA GLU 31 HA GLU 31 -7.978 -5.943 7.657
251 1HB GLU 31 1HB GLU 31 -5.985 -8.213 7.780
252 2HB GLU 31 2HB GLU 31 -7.695 -8.400 7.419
253 1HG GLU 31 1HG GLU 31 -5.598 -7.020 5.771
254 2HG GLU 31 2HG GLU 31 -6.545 -8.448 5.358
255 H ARG 32 H ARG 32 -9.368 -5.994 9.280
256 HA ARG 32 HA ARG 32 -8.464 -6.880 11.923
257 1HB ARG 32 1HB ARG 32 -9.656 -4.627 11.454
258 2HB ARG 32 2HB ARG 32 -11.121 -5.594 11.346
259 1HG ARG 32 1HG ARG 32 -10.535 -6.485 13.644
260 2HG ARG 32 2HG ARG 32 -9.325 -5.203 13.719
261 1HD ARG 32 1HD ARG 32 -12.228 -4.681 13.127
262 2HD ARG 32 2HD ARG 32 -11.576 -4.691 14.764
263 HE ARG 32 HE ARG 32 -9.960 -2.958 13.427
264 1HH1 ARG 32 1HH1 ARG 32 -13.424 -3.178 13.889
265 2HH1 ARG 32 2HH1 ARG 32 -13.669 -1.469 13.785
266 1HH2 ARG 32 1HH2 ARG 32 -10.290 -0.707 13.288
267 2HH2 ARG 32 2HH2 ARG 32 -11.891 -0.064 13.443
268 H ARG 33 H ARG 33 -11.275 -7.286 9.757
269 HA ARG 33 HA ARG 33 -11.496 -10.066 10.608
270 1HB ARG 33 1HB ARG 33 -13.074 -8.225 11.851
271 2HB ARG 33 2HB ARG 33 -14.098 -8.682 10.498
272 1HG ARG 33 1HG ARG 33 -13.647 -11.095 11.202
273 2HG ARG 33 2HG ARG 33 -13.037 -10.405 12.707
274 1HD ARG 33 1HD ARG 33 -15.739 -9.661 11.637
275 2HD ARG 33 2HD ARG 33 -15.508 -11.125 12.592
276 HE ARG 33 HE ARG 33 -14.425 -8.795 13.856
277 1HH1 ARG 33 1HH1 ARG 33 -17.372 -10.615 13.337
278 2HH1 ARG 33 2HH1 ARG 33 -18.133 -10.026 14.776
279 1HH2 ARG 33 1HH2 ARG 33 -15.433 -8.026 15.750
280 2HH2 ARG 33 2HH2 ARG 33 -17.033 -8.556 16.146
Start of MODEL 26
1 H TYR 1 H TYR 1 -13.391 15.212 -0.525
2 HA TYR 1 HA TYR 1 -12.501 13.240 0.653
3 1HB TYR 1 1HB TYR 1 -15.357 12.275 0.545
4 2HB TYR 1 2HB TYR 1 -13.988 11.549 1.377
5 HD1 TYR 1 HD1 TYR 1 -12.997 12.895 3.360
6 HD2 TYR 1 HD2 TYR 1 -16.850 13.620 1.713
7 HE1 TYR 1 HE1 TYR 1 -13.667 14.022 5.440
8 HE2 TYR 1 HE2 TYR 1 -17.532 14.749 3.787
9 HH TYR 1 HH TYR 1 -15.840 16.025 5.831
10 H LYS 2 H LYS 2 -11.603 13.412 -1.461
11 HA LYS 2 HA LYS 2 -12.854 11.586 -3.363
12 1HB LYS 2 1HB LYS 2 -12.375 13.177 -5.247
13 2HB LYS 2 2HB LYS 2 -13.674 13.673 -4.173
14 1HG LYS 2 1HG LYS 2 -12.369 15.350 -3.183
15 2HG LYS 2 2HG LYS 2 -10.869 14.683 -3.833
16 1HD LYS 2 1HD LYS 2 -11.933 15.157 -6.141
17 2HD LYS 2 2HD LYS 2 -13.028 16.212 -5.246
18 1HE LYS 2 1HE LYS 2 -10.050 16.428 -4.946
19 2HE LYS 2 2HE LYS 2 -10.902 17.242 -6.258
20 1HZ LYS 2 1HZ LYS 2 -12.274 18.363 -4.584
21 2HZ LYS 2 2HZ LYS 2 -10.632 18.723 -4.397
22 3HZ LYS 2 3HZ LYS 2 -11.380 17.626 -3.350
23 H PHE 3 H PHE 3 -10.779 10.837 -1.864
24 HA PHE 3 HA PHE 3 -8.588 10.721 -3.807
25 1HB PHE 3 1HB PHE 3 -8.294 12.373 -1.731
26 2HB PHE 3 2HB PHE 3 -7.836 10.877 -0.926
27 HD1 PHE 3 HD1 PHE 3 -6.908 13.347 -3.443
28 HD2 PHE 3 HD2 PHE 3 -5.831 9.677 -1.594
29 HE1 PHE 3 HE1 PHE 3 -4.640 13.545 -4.371
30 HE2 PHE 3 HE2 PHE 3 -3.560 9.857 -2.512
31 HZ PHE 3 HZ PHE 3 -2.961 11.801 -3.910
32 H ALA 4 H ALA 4 -8.447 8.640 -4.329
33 HA ALA 4 HA ALA 4 -8.739 6.638 -2.217
34 1HB ALA 4 1HB ALA 4 -10.595 6.493 -3.751
35 2HB ALA 4 2HB ALA 4 -9.556 5.083 -3.949
36 3HB ALA 4 3HB ALA 4 -9.490 6.398 -5.122
37 H CYS 5 H CYS 5 -7.296 4.941 -2.126
38 HA CYS 5 HA CYS 5 -4.674 5.404 -3.014
39 1HB CYS 5 1HB CYS 5 -5.810 2.733 -2.173
40 2HB CYS 5 2HB CYS 5 -4.136 3.263 -2.070
41 HG CYS 5 HG CYS 5 -4.863 4.894 -0.145
42 HA PRO 6 HA PRO 6 -4.451 3.759 -7.103
43 1HB PRO 6 1HB PRO 6 -1.978 2.330 -6.346
44 2HB PRO 6 2HB PRO 6 -2.221 3.589 -7.560
45 1HG PRO 6 1HG PRO 6 -0.933 4.093 -5.269
46 2HG PRO 6 2HG PRO 6 -1.990 5.300 -6.024
47 1HD PRO 6 1HD PRO 6 -2.527 3.507 -3.688
48 2HD PRO 6 2HD PRO 6 -2.964 5.212 -3.925
49 H GLU 7 H GLU 7 -4.237 1.624 -4.351
50 HA GLU 7 HA GLU 7 -4.742 -0.731 -6.008
51 1HB GLU 7 1HB GLU 7 -3.036 -0.564 -4.028
52 2HB GLU 7 2HB GLU 7 -4.457 -0.828 -3.031
53 1HG GLU 7 1HG GLU 7 -3.611 -2.654 -5.264
54 2HG GLU 7 2HG GLU 7 -3.165 -2.882 -3.575
55 H CYS 8 H CYS 8 -6.130 0.757 -3.034
56 HA CYS 8 HA CYS 8 -8.618 -0.681 -3.609
57 1HB CYS 8 1HB CYS 8 -9.301 -0.219 -1.347
58 2HB CYS 8 2HB CYS 8 -7.718 -0.941 -1.351
59 HG CYS 8 HG CYS 8 -7.531 0.977 0.306
60 HA PRO 9 HA PRO 9 -10.940 2.879 -4.602
61 1HB PRO 9 1HB PRO 9 -13.396 1.988 -4.064
62 2HB PRO 9 2HB PRO 9 -12.399 1.217 -5.303
63 1HG PRO 9 1HG PRO 9 -12.979 0.324 -2.511
64 2HG PRO 9 2HG PRO 9 -12.834 -0.642 -3.990
65 1HD PRO 9 1HD PRO 9 -10.820 -0.287 -2.078
66 2HD PRO 9 2HD PRO 9 -10.578 -0.865 -3.731
67 H LYS 10 H LYS 10 -10.457 2.074 -1.375
68 HA LYS 10 HA LYS 10 -12.406 3.414 0.051
69 1HB LYS 10 1HB LYS 10 -9.589 2.640 0.558
70 2HB LYS 10 2HB LYS 10 -10.263 3.874 1.615
71 1HG LYS 10 1HG LYS 10 -10.806 2.014 2.801
72 2HG LYS 10 2HG LYS 10 -12.248 2.144 1.793
73 1HD LYS 10 1HD LYS 10 -10.024 0.612 0.618
74 2HD LYS 10 2HD LYS 10 -10.758 -0.108 2.052
75 1HE LYS 10 1HE LYS 10 -12.438 0.892 -0.224
76 2HE LYS 10 2HE LYS 10 -11.719 -0.718 -0.257
77 1HZ LYS 10 1HZ LYS 10 -12.847 -1.174 1.870
78 2HZ LYS 10 2HZ LYS 10 -13.932 -0.850 0.614
79 3HZ LYS 10 3HZ LYS 10 -13.610 0.334 1.777
80 H ARG 11 H ARG 11 -12.974 5.454 0.271
81 HA ARG 11 HA ARG 11 -11.260 7.541 -0.855
82 1HB ARG 11 1HB ARG 11 -13.308 8.980 -0.647
83 2HB ARG 11 2HB ARG 11 -13.487 7.608 -1.728
84 1HG ARG 11 1HG ARG 11 -14.304 6.997 0.994
85 2HG ARG 11 2HG ARG 11 -15.212 8.332 0.287
86 1HD ARG 11 1HD ARG 11 -14.864 6.138 -1.580
87 2HD ARG 11 2HD ARG 11 -15.668 5.623 -0.099
88 HE ARG 11 HE ARG 11 -16.791 8.031 -1.143
89 1HH1 ARG 11 1HH1 ARG 11 -16.791 4.548 -1.525
90 2HH1 ARG 11 2HH1 ARG 11 -18.380 4.502 -2.209
91 1HH2 ARG 11 1HH2 ARG 11 -18.884 7.961 -2.045
92 2HH2 ARG 11 2HH2 ARG 11 -19.569 6.438 -2.506
93 H PHE 12 H PHE 12 -10.002 8.650 0.462
94 HA PHE 12 HA PHE 12 -10.603 8.710 3.327
95 1HB PHE 12 1HB PHE 12 -8.097 9.563 1.865
96 2HB PHE 12 2HB PHE 12 -8.292 9.501 3.606
97 HD1 PHE 12 HD1 PHE 12 -7.073 7.822 4.546
98 HD2 PHE 12 HD2 PHE 12 -8.969 7.091 0.806
99 HE1 PHE 12 HE1 PHE 12 -6.203 5.523 4.557
100 HE2 PHE 12 HE2 PHE 12 -8.107 4.789 0.816
101 HZ PHE 12 HZ PHE 12 -6.714 3.995 2.691
102 H MET 13 H MET 13 -9.390 10.979 4.186
103 HA MET 13 HA MET 13 -11.190 13.042 3.176
104 1HB MET 13 1HB MET 13 -9.428 12.967 5.631
105 2HB MET 13 2HB MET 13 -10.491 14.299 5.204
106 1HG MET 13 1HG MET 13 -11.961 13.267 6.527
107 2HG MET 13 2HG MET 13 -12.223 12.216 5.137
108 1HE MET 13 1HE MET 13 -10.362 12.886 8.328
109 2HE MET 13 2HE MET 13 -10.051 11.299 9.030
110 3HE MET 13 3HE MET 13 -11.699 11.923 8.958
111 H ARG 14 H ARG 14 -7.726 12.435 3.600
112 HA ARG 14 HA ARG 14 -7.179 14.653 1.747
113 1HB ARG 14 1HB ARG 14 -5.743 14.104 4.351
114 2HB ARG 14 2HB ARG 14 -5.130 15.182 3.106
115 1HG ARG 14 1HG ARG 14 -6.166 16.743 4.345
116 2HG ARG 14 2HG ARG 14 -7.586 16.221 3.436
117 1HD ARG 14 1HD ARG 14 -7.893 14.502 5.329
118 2HD ARG 14 2HD ARG 14 -6.774 15.517 6.237
119 HE ARG 14 HE ARG 14 -9.513 16.118 5.543
120 1HH1 ARG 14 1HH1 ARG 14 -6.437 17.430 6.592
121 2HH1 ARG 14 2HH1 ARG 14 -7.144 18.850 7.286
122 1HH2 ARG 14 1HH2 ARG 14 -10.433 17.990 6.459
123 2HH2 ARG 14 2HH2 ARG 14 -9.410 19.168 7.212
124 H SER 15 H SER 15 -5.159 14.473 0.598
125 HA SER 15 HA SER 15 -4.646 11.954 -0.459
126 1HB SER 15 1HB SER 15 -2.625 12.989 -1.452
127 2HB SER 15 2HB SER 15 -4.050 14.009 -1.633
128 HG SER 15 HG SER 15 -3.202 15.449 -0.317
129 H ASP 16 H ASP 16 -2.963 13.702 2.126
130 HA ASP 16 HA ASP 16 -0.843 11.884 2.474
131 1HB ASP 16 1HB ASP 16 -0.825 12.877 4.872
132 2HB ASP 16 2HB ASP 16 -0.472 13.931 3.509
133 H HIS 17 H HIS 17 -4.134 11.913 3.746
134 HA HIS 17 HA HIS 17 -3.901 10.014 5.771
135 1HB HIS 17 1HB HIS 17 -6.173 10.685 3.904
136 2HB HIS 17 2HB HIS 17 -6.334 9.447 5.140
137 HD1 HIS 17 HD1 HIS 17 -8.249 11.101 6.052
138 HD2 HIS 17 HD2 HIS 17 -4.336 12.449 6.401
139 HE1 HIS 17 HE1 HIS 17 -8.331 12.977 7.724
140 HE2 HIS 17 HE2 HIS 17 -5.968 13.839 7.846
141 H LEU 18 H LEU 18 -3.933 9.635 2.300
142 HA LEU 18 HA LEU 18 -4.159 6.736 2.435
143 1HB LEU 18 1HB LEU 18 -3.673 8.565 0.097
144 2HB LEU 18 2HB LEU 18 -3.948 6.841 -0.008
145 HG LEU 18 HG LEU 18 -6.204 7.353 1.128
146 1HD1 LEU 18 1HD1 LEU 18 -6.941 9.698 0.252
147 2HD1 LEU 18 2HD1 LEU 18 -5.221 10.066 0.376
148 3HD1 LEU 18 3HD1 LEU 18 -6.117 9.552 1.805
149 1HD2 LEU 18 1HD2 LEU 18 -5.293 7.659 -1.640
150 2HD2 LEU 18 2HD2 LEU 18 -6.895 8.308 -1.293
151 3HD2 LEU 18 3HD2 LEU 18 -6.541 6.613 -0.964
152 H SER 19 H SER 19 -1.847 9.179 1.295
153 HA SER 19 HA SER 19 0.227 7.703 0.432
154 1HB SER 19 1HB SER 19 0.330 10.131 0.473
155 2HB SER 19 2HB SER 19 0.418 10.133 2.235
156 HG SER 19 HG SER 19 2.483 10.373 1.344
157 H LYS 20 H LYS 20 -0.613 8.155 3.834
158 HA LYS 20 HA LYS 20 1.659 6.601 4.745
159 1HB LYS 20 1HB LYS 20 0.685 8.528 6.040
160 2HB LYS 20 2HB LYS 20 -0.739 7.539 6.332
161 1HG LYS 20 1HG LYS 20 1.454 5.971 7.101
162 2HG LYS 20 2HG LYS 20 1.762 7.590 7.731
163 1HD LYS 20 1HD LYS 20 0.527 6.677 9.445
164 2HD LYS 20 2HD LYS 20 -0.741 7.446 8.489
165 1HE LYS 20 1HE LYS 20 -0.118 4.703 7.672
166 2HE LYS 20 2HE LYS 20 -0.741 4.839 9.315
167 1HZ LYS 20 1HZ LYS 20 -2.684 5.935 8.508
168 2HZ LYS 20 2HZ LYS 20 -2.477 4.524 7.599
169 3HZ LYS 20 3HZ LYS 20 -2.064 6.025 6.936
170 H HIS 21 H HIS 21 -1.781 6.157 4.157
171 HA HIS 21 HA HIS 21 -1.922 3.565 5.379
172 1HB HIS 21 1HB HIS 21 -3.996 4.535 5.428
173 2HB HIS 21 2HB HIS 21 -3.774 5.347 3.887
174 HD1 HIS 21 HD1 HIS 21 -5.749 2.761 5.330
175 HD2 HIS 21 HD2 HIS 21 -3.820 3.265 1.694
176 HE1 HIS 21 HE1 HIS 21 -6.899 1.206 3.696
177 H ILE 22 H ILE 22 -1.265 4.746 2.124
178 HA ILE 22 HA ILE 22 -1.724 2.295 0.797
179 HB ILE 22 HB ILE 22 0.018 3.288 -0.897
180 1HG1 ILE 22 1HG1 ILE 22 -0.826 5.956 -0.238
181 2HG1 ILE 22 2HG1 ILE 22 0.056 5.242 1.107
182 1HG2 ILE 22 1HG2 ILE 22 -2.818 4.033 -0.379
183 2HG2 ILE 22 2HG2 ILE 22 -2.119 3.103 -1.705
184 3HG2 ILE 22 3HG2 ILE 22 -1.944 4.857 -1.669
185 1HD1 ILE 22 1HD1 ILE 22 1.409 6.538 -0.587
186 2HD1 ILE 22 2HD1 ILE 22 1.118 5.196 -1.691
187 3HD1 ILE 22 3HD1 ILE 22 1.988 4.923 -0.181
188 H THR 23 H THR 23 1.238 3.677 2.134
189 HA THR 23 HA THR 23 2.978 1.695 1.254
190 HB THR 23 HB THR 23 3.181 3.200 3.872
191 HG1 THR 23 HG1 THR 23 3.947 3.948 1.248
192 1HG2 THR 23 1HG2 THR 23 4.895 1.590 3.859
193 2HG2 THR 23 2HG2 THR 23 5.643 3.100 3.342
194 3HG2 THR 23 3HG2 THR 23 5.243 1.862 2.152
195 H LEU 24 H LEU 24 0.558 1.478 3.699
196 HA LEU 24 HA LEU 24 1.701 -1.052 4.680
197 1HB LEU 24 1HB LEU 24 0.029 -0.859 6.511
198 2HB LEU 24 2HB LEU 24 1.193 0.455 6.478
199 HG LEU 24 HG LEU 24 -0.779 1.489 4.959
200 1HD1 LEU 24 1HD1 LEU 24 -2.497 0.533 7.110
201 2HD1 LEU 24 2HD1 LEU 24 -2.020 -0.720 5.965
202 3HD1 LEU 24 3HD1 LEU 24 -2.831 0.738 5.389
203 1HD2 LEU 24 1HD2 LEU 24 -1.336 2.862 6.871
204 2HD2 LEU 24 2HD2 LEU 24 0.401 2.559 6.837
205 3HD2 LEU 24 3HD2 LEU 24 -0.628 1.672 7.963
206 H HIS 25 H HIS 25 -1.243 0.414 3.359
207 HA HIS 25 HA HIS 25 -2.703 -2.027 3.296
208 1HB HIS 25 1HB HIS 25 -4.410 -0.602 3.047
209 2HB HIS 25 2HB HIS 25 -3.292 0.731 2.878
210 HD1 HIS 25 HD1 HIS 25 -5.182 -1.769 0.747
211 HD2 HIS 25 HD2 HIS 25 -3.228 1.888 0.424
212 HE1 HIS 25 HE1 HIS 25 -5.714 -0.876 -1.556
213 H GLU 26 H GLU 26 -0.567 -0.375 1.056
214 HA GLU 26 HA GLU 26 -1.301 -2.094 -1.158
215 1HB GLU 26 1HB GLU 26 -0.551 0.205 -1.589
216 2HB GLU 26 2HB GLU 26 0.996 -0.147 -0.834
217 1HG GLU 26 1HG GLU 26 1.318 -0.196 -3.177
218 2HG GLU 26 2HG GLU 26 1.388 -1.859 -2.603
219 H LEU 27 H LEU 27 0.753 -2.258 1.586
220 HA LEU 27 HA LEU 27 2.437 -4.313 0.319
221 1HB LEU 27 1HB LEU 27 2.719 -2.752 2.878
222 2HB LEU 27 2HB LEU 27 3.748 -4.116 2.483
223 1HD1 LEU 27 1HD1 LEU 27 5.680 -2.519 -0.145
224 2HD1 LEU 27 2HD1 LEU 27 4.336 -3.622 -0.441
225 3HD1 LEU 27 3HD1 LEU 27 5.480 -3.956 0.857
226 1HD2 LEU 27 1HD2 LEU 27 2.393 -1.097 1.087
227 2HD2 LEU 27 2HD2 LEU 27 3.072 -1.648 -0.445
228 3HD2 LEU 27 3HD2 LEU 27 3.902 -0.404 0.490
229 H LEU 28 H LEU 28 0.888 -3.880 3.519
230 HA LEU 28 HA LEU 28 0.573 -6.787 3.693
231 1HB LEU 28 1HB LEU 28 0.262 -4.621 5.774
232 2HB LEU 28 2HB LEU 28 -0.014 -6.327 6.074
233 HG LEU 28 HG LEU 28 2.496 -6.445 5.091
234 1HD1 LEU 28 1HD1 LEU 28 2.751 -4.070 4.799
235 2HD1 LEU 28 2HD1 LEU 28 3.786 -4.603 6.123
236 3HD1 LEU 28 3HD1 LEU 28 2.269 -3.774 6.469
237 1HD2 LEU 28 1HD2 LEU 28 1.756 -5.838 7.951
238 2HD2 LEU 28 2HD2 LEU 28 3.243 -6.612 7.403
239 3HD2 LEU 28 3HD2 LEU 28 1.693 -7.425 7.184
240 H GLY 29 H GLY 29 -1.410 -3.917 4.508
241 1HA GLY 29 1HA GLY 29 -3.592 -3.877 3.203
242 2HA GLY 29 2HA GLY 29 -3.804 -5.507 3.824
243 H GLU 30 H GLU 30 -5.338 -5.490 5.330
244 HA GLU 30 HA GLU 30 -5.028 -3.898 7.698
245 1HB GLU 30 1HB GLU 30 -6.357 -2.585 5.754
246 2HB GLU 30 2HB GLU 30 -7.696 -3.457 6.486
247 1HG GLU 30 1HG GLU 30 -5.940 -2.148 8.420
248 2HG GLU 30 2HG GLU 30 -6.740 -1.040 7.307
249 H GLU 31 H GLU 31 -6.387 -4.552 9.417
250 HA GLU 31 HA GLU 31 -7.004 -7.287 9.494
251 1HB GLU 31 1HB GLU 31 -6.495 -6.144 11.533
252 2HB GLU 31 2HB GLU 31 -7.803 -4.996 11.291
253 1HG GLU 31 1HG GLU 31 -8.633 -7.810 11.417
254 2HG GLU 31 2HG GLU 31 -7.927 -7.168 12.900
255 H ARG 32 H ARG 32 -9.194 -4.470 9.341
256 HA ARG 32 HA ARG 32 -11.584 -5.952 9.201
257 1HB ARG 32 1HB ARG 32 -10.801 -3.139 8.599
258 2HB ARG 32 2HB ARG 32 -12.347 -3.710 7.992
259 1HG ARG 32 1HG ARG 32 -13.013 -2.880 9.997
260 2HG ARG 32 2HG ARG 32 -12.625 -4.530 10.487
261 1HD ARG 32 1HD ARG 32 -11.627 -3.120 12.097
262 2HD ARG 32 2HD ARG 32 -10.316 -3.682 11.062
263 HE ARG 32 HE ARG 32 -11.316 -1.217 10.107
264 1HH1 ARG 32 1HH1 ARG 32 -9.396 -2.545 12.717
265 2HH1 ARG 32 2HH1 ARG 32 -8.486 -1.091 12.950
266 1HH2 ARG 32 1HH2 ARG 32 -10.113 0.694 10.417
267 2HH2 ARG 32 2HH2 ARG 32 -8.893 0.748 11.645
268 H ARG 33 H ARG 33 -12.390 -7.159 7.640
269 HA ARG 33 HA ARG 33 -12.962 -7.962 5.595
270 1HB ARG 33 1HB ARG 33 -12.352 -5.235 5.031
271 2HB ARG 33 2HB ARG 33 -11.661 -6.220 3.750
272 1HG ARG 33 1HG ARG 33 -14.537 -6.190 4.643
273 2HG ARG 33 2HG ARG 33 -13.886 -5.519 3.147
274 1HD ARG 33 1HD ARG 33 -13.835 -8.434 3.926
275 2HD ARG 33 2HD ARG 33 -14.980 -7.699 2.807
276 HE ARG 33 HE ARG 33 -12.630 -7.057 1.690
277 1HH1 ARG 33 1HH1 ARG 33 -13.855 -10.111 2.893
278 2HH1 ARG 33 2HH1 ARG 33 -12.932 -11.058 1.776
279 1HH2 ARG 33 1HH2 ARG 33 -11.420 -8.313 0.222
280 2HH2 ARG 33 2HH2 ARG 33 -11.550 -10.040 0.261
Start of MODEL 27
1 H TYR 1 H TYR 1 -13.455 15.265 0.135
2 HA TYR 1 HA TYR 1 -12.526 13.150 0.975
3 1HB TYR 1 1HB TYR 1 -15.363 12.161 0.675
4 2HB TYR 1 2HB TYR 1 -13.981 11.307 1.347
5 HD1 TYR 1 HD1 TYR 1 -13.124 11.944 3.603
6 HD2 TYR 1 HD2 TYR 1 -16.727 13.564 2.024
7 HE1 TYR 1 HE1 TYR 1 -13.790 12.649 5.862
8 HE2 TYR 1 HE2 TYR 1 -17.401 14.277 4.278
9 HH TYR 1 HH TYR 1 -15.825 14.839 6.581
10 H LYS 2 H LYS 2 -11.493 13.344 -0.987
11 HA LYS 2 HA LYS 2 -12.751 11.980 -3.218
12 1HB LYS 2 1HB LYS 2 -12.878 14.749 -3.134
13 2HB LYS 2 2HB LYS 2 -11.493 14.435 -4.172
14 1HG LYS 2 1HG LYS 2 -13.313 12.681 -5.169
15 2HG LYS 2 2HG LYS 2 -14.349 14.013 -4.654
16 1HD LYS 2 1HD LYS 2 -13.820 14.638 -6.813
17 2HD LYS 2 2HD LYS 2 -12.589 15.494 -5.882
18 1HE LYS 2 1HE LYS 2 -11.414 14.516 -7.657
19 2HE LYS 2 2HE LYS 2 -11.110 13.453 -6.285
20 1HZ LYS 2 1HZ LYS 2 -12.694 11.898 -7.105
21 2HZ LYS 2 2HZ LYS 2 -11.663 12.286 -8.388
22 3HZ LYS 2 3HZ LYS 2 -13.214 12.956 -8.318
23 H PHE 3 H PHE 3 -10.795 10.874 -1.841
24 HA PHE 3 HA PHE 3 -8.584 10.863 -3.724
25 1HB PHE 3 1HB PHE 3 -8.217 12.484 -1.637
26 2HB PHE 3 2HB PHE 3 -7.772 10.972 -0.856
27 HD1 PHE 3 HD1 PHE 3 -6.854 13.436 -3.389
28 HD2 PHE 3 HD2 PHE 3 -5.796 9.755 -1.549
29 HE1 PHE 3 HE1 PHE 3 -4.598 13.601 -4.358
30 HE2 PHE 3 HE2 PHE 3 -3.539 9.903 -2.509
31 HZ PHE 3 HZ PHE 3 -2.937 11.834 -3.921
32 H ALA 4 H ALA 4 -8.531 8.786 -4.286
33 HA ALA 4 HA ALA 4 -8.827 6.756 -2.202
34 1HB ALA 4 1HB ALA 4 -9.664 5.241 -3.930
35 2HB ALA 4 2HB ALA 4 -9.501 6.525 -5.127
36 3HB ALA 4 3HB ALA 4 -10.655 6.695 -3.805
37 H CYS 5 H CYS 5 -7.434 4.998 -2.162
38 HA CYS 5 HA CYS 5 -4.782 5.466 -2.994
39 1HB CYS 5 1HB CYS 5 -5.997 2.826 -2.158
40 2HB CYS 5 2HB CYS 5 -4.293 3.262 -2.114
41 HG CYS 5 HG CYS 5 -6.040 3.578 0.161
42 HA PRO 6 HA PRO 6 -4.650 3.796 -7.084
43 1HB PRO 6 1HB PRO 6 -2.145 2.728 -7.137
44 2HB PRO 6 2HB PRO 6 -2.458 4.465 -7.217
45 1HG PRO 6 1HG PRO 6 -1.640 2.792 -4.877
46 2HG PRO 6 2HG PRO 6 -1.076 4.403 -5.355
47 1HD PRO 6 1HD PRO 6 -2.898 4.012 -3.389
48 2HD PRO 6 2HD PRO 6 -2.895 5.457 -4.420
49 H GLU 7 H GLU 7 -4.329 1.793 -4.295
50 HA GLU 7 HA GLU 7 -4.532 -0.660 -5.884
51 1HB GLU 7 1HB GLU 7 -3.716 -0.082 -3.058
52 2HB GLU 7 2HB GLU 7 -4.254 -1.692 -3.507
53 1HG GLU 7 1HG GLU 7 -1.955 -1.817 -3.713
54 2HG GLU 7 2HG GLU 7 -2.495 -1.541 -5.369
55 H CYS 8 H CYS 8 -6.081 0.887 -3.032
56 HA CYS 8 HA CYS 8 -8.451 -0.776 -3.547
57 1HB CYS 8 1HB CYS 8 -9.147 -0.371 -1.290
58 2HB CYS 8 2HB CYS 8 -7.503 -0.937 -1.284
59 HG CYS 8 HG CYS 8 -7.283 0.990 0.275
60 HA PRO 9 HA PRO 9 -10.992 2.623 -4.558
61 1HB PRO 9 1HB PRO 9 -13.391 1.665 -3.867
62 2HB PRO 9 2HB PRO 9 -12.427 0.900 -5.136
63 1HG PRO 9 1HG PRO 9 -12.838 0.059 -2.300
64 2HG PRO 9 2HG PRO 9 -12.717 -0.938 -3.760
65 1HD PRO 9 1HD PRO 9 -10.642 -0.458 -1.950
66 2HD PRO 9 2HD PRO 9 -10.442 -1.057 -3.599
67 H LYS 10 H LYS 10 -10.420 1.908 -1.301
68 HA LYS 10 HA LYS 10 -12.326 3.277 0.136
69 1HB LYS 10 1HB LYS 10 -9.802 2.140 0.653
70 2HB LYS 10 2HB LYS 10 -9.723 3.788 1.258
71 1HG LYS 10 1HG LYS 10 -10.494 2.658 3.097
72 2HG LYS 10 2HG LYS 10 -12.005 3.201 2.365
73 1HD LYS 10 1HD LYS 10 -11.895 0.901 1.129
74 2HD LYS 10 2HD LYS 10 -10.807 0.463 2.446
75 1HE LYS 10 1HE LYS 10 -12.697 1.437 3.957
76 2HE LYS 10 2HE LYS 10 -13.708 1.175 2.537
77 1HZ LYS 10 1HZ LYS 10 -12.155 -0.867 4.027
78 2HZ LYS 10 2HZ LYS 10 -12.930 -1.168 2.554
79 3HZ LYS 10 3HZ LYS 10 -13.838 -0.744 3.916
80 H ARG 11 H ARG 11 -12.888 5.315 0.398
81 HA ARG 11 HA ARG 11 -11.257 7.399 -0.868
82 1HB ARG 11 1HB ARG 11 -13.340 8.786 -0.717
83 2HB ARG 11 2HB ARG 11 -13.485 7.365 -1.738
84 1HG ARG 11 1HG ARG 11 -14.278 6.722 0.943
85 2HG ARG 11 2HG ARG 11 -15.151 8.145 0.375
86 1HD ARG 11 1HD ARG 11 -16.285 6.987 -1.201
87 2HD ARG 11 2HD ARG 11 -14.929 5.914 -1.544
88 HE ARG 11 HE ARG 11 -16.920 5.585 0.584
89 1HH1 ARG 11 1HH1 ARG 11 -14.173 4.304 -1.187
90 2HH1 ARG 11 2HH1 ARG 11 -14.360 2.707 -0.550
91 1HH2 ARG 11 1HH2 ARG 11 -17.150 3.478 1.411
92 2HH2 ARG 11 2HH2 ARG 11 -16.046 2.236 0.921
93 H PHE 12 H PHE 12 -10.048 8.622 0.396
94 HA PHE 12 HA PHE 12 -10.669 8.799 3.258
95 1HB PHE 12 1HB PHE 12 -8.144 9.631 1.815
96 2HB PHE 12 2HB PHE 12 -8.372 9.563 3.552
97 HD1 PHE 12 HD1 PHE 12 -7.214 7.873 4.544
98 HD2 PHE 12 HD2 PHE 12 -8.911 7.170 0.704
99 HE1 PHE 12 HE1 PHE 12 -6.322 5.582 4.572
100 HE2 PHE 12 HE2 PHE 12 -8.028 4.877 0.731
101 HZ PHE 12 HZ PHE 12 -6.722 4.075 2.662
102 H MET 13 H MET 13 -9.486 11.112 4.017
103 HA MET 13 HA MET 13 -11.227 13.126 2.805
104 1HB MET 13 1HB MET 13 -10.905 12.550 5.389
105 2HB MET 13 2HB MET 13 -9.605 13.720 5.228
106 1HG MET 13 1HG MET 13 -12.368 14.353 4.275
107 2HG MET 13 2HG MET 13 -11.927 14.528 5.972
108 1HE MET 13 1HE MET 13 -12.795 16.865 3.466
109 2HE MET 13 2HE MET 13 -11.801 15.815 2.456
110 3HE MET 13 3HE MET 13 -11.330 17.495 2.711
111 H ARG 14 H ARG 14 -7.810 12.535 3.547
112 HA ARG 14 HA ARG 14 -7.111 14.753 1.733
113 1HB ARG 14 1HB ARG 14 -5.689 14.009 4.298
114 2HB ARG 14 2HB ARG 14 -5.144 15.225 3.152
115 1HG ARG 14 1HG ARG 14 -6.242 16.684 4.421
116 2HG ARG 14 2HG ARG 14 -7.713 16.024 3.702
117 1HD ARG 14 1HD ARG 14 -8.015 14.521 5.531
118 2HD ARG 14 2HD ARG 14 -6.431 14.915 6.193
119 HE ARG 14 HE ARG 14 -7.578 17.294 6.289
120 1HH1 ARG 14 1HH1 ARG 14 -8.913 14.177 7.172
121 2HH1 ARG 14 2HH1 ARG 14 -9.964 14.834 8.380
122 1HH2 ARG 14 1HH2 ARG 14 -8.965 18.150 7.881
123 2HH2 ARG 14 2HH2 ARG 14 -9.994 17.088 8.782
124 H SER 15 H SER 15 -4.987 14.546 0.716
125 HA SER 15 HA SER 15 -4.573 12.010 -0.417
126 1HB SER 15 1HB SER 15 -2.501 13.022 -1.363
127 2HB SER 15 2HB SER 15 -3.926 14.028 -1.600
128 HG SER 15 HG SER 15 -3.109 15.503 -0.316
129 H ASP 16 H ASP 16 -2.857 13.718 2.183
130 HA ASP 16 HA ASP 16 -0.787 11.845 2.533
131 1HB ASP 16 1HB ASP 16 -0.702 12.824 4.908
132 2HB ASP 16 2HB ASP 16 -0.423 13.920 3.560
133 H HIS 17 H HIS 17 -4.087 11.941 3.755
134 HA HIS 17 HA HIS 17 -3.942 10.044 5.787
135 1HB HIS 17 1HB HIS 17 -6.100 10.955 3.935
136 2HB HIS 17 2HB HIS 17 -6.380 9.492 4.866
137 HD1 HIS 17 HD1 HIS 17 -8.193 10.543 6.326
138 HD2 HIS 17 HD2 HIS 17 -4.554 12.538 6.510
139 HE1 HIS 17 HE1 HIS 17 -8.397 12.137 8.260
140 HE2 HIS 17 HE2 HIS 17 -6.222 13.408 8.283
141 H LEU 18 H LEU 18 -3.858 9.659 2.320
142 HA LEU 18 HA LEU 18 -4.146 6.764 2.455
143 1HB LEU 18 1HB LEU 18 -3.618 8.604 0.134
144 2HB LEU 18 2HB LEU 18 -3.859 6.875 0.005
145 HG LEU 18 HG LEU 18 -6.149 7.309 1.078
146 1HD1 LEU 18 1HD1 LEU 18 -6.921 9.668 0.277
147 2HD1 LEU 18 2HD1 LEU 18 -5.213 10.071 0.454
148 3HD1 LEU 18 3HD1 LEU 18 -6.129 9.481 1.841
149 1HD2 LEU 18 1HD2 LEU 18 -6.823 8.327 -1.313
150 2HD2 LEU 18 2HD2 LEU 18 -6.396 6.636 -1.053
151 3HD2 LEU 18 3HD2 LEU 18 -5.186 7.770 -1.658
152 H SER 19 H SER 19 -1.778 9.160 1.322
153 HA SER 19 HA SER 19 0.280 7.655 0.496
154 1HB SER 19 1HB SER 19 0.481 10.050 0.506
155 2HB SER 19 2HB SER 19 0.429 10.107 2.268
156 HG SER 19 HG SER 19 2.484 9.627 2.339
157 H LYS 20 H LYS 20 -0.540 8.146 3.910
158 HA LYS 20 HA LYS 20 1.691 6.540 4.816
159 1HB LYS 20 1HB LYS 20 0.535 8.524 6.048
160 2HB LYS 20 2HB LYS 20 -0.651 7.318 6.530
161 1HG LYS 20 1HG LYS 20 0.937 6.091 7.753
162 2HG LYS 20 2HG LYS 20 2.289 6.945 7.009
163 1HD LYS 20 1HD LYS 20 2.210 8.566 8.540
164 2HD LYS 20 2HD LYS 20 0.471 8.773 8.328
165 1HE LYS 20 1HE LYS 20 0.570 8.108 10.526
166 2HE LYS 20 2HE LYS 20 0.340 6.559 9.715
167 1HZ LYS 20 1HZ LYS 20 2.946 7.673 10.611
168 2HZ LYS 20 2HZ LYS 20 2.725 6.183 9.840
169 3HZ LYS 20 3HZ LYS 20 2.081 6.439 11.382
170 H HIS 21 H HIS 21 -1.730 6.120 4.161
171 HA HIS 21 HA HIS 21 -1.886 3.527 5.410
172 1HB HIS 21 1HB HIS 21 -3.960 4.484 5.508
173 2HB HIS 21 2HB HIS 21 -3.753 5.354 3.997
174 HD1 HIS 21 HD1 HIS 21 -5.831 2.845 5.329
175 HD2 HIS 21 HD2 HIS 21 -3.747 3.236 1.766
176 HE1 HIS 21 HE1 HIS 21 -6.986 1.329 3.663
177 H ILE 22 H ILE 22 -1.375 4.739 2.123
178 HA ILE 22 HA ILE 22 -1.853 2.312 0.788
179 HB ILE 22 HB ILE 22 -0.178 3.298 -0.953
180 1HG1 ILE 22 1HG1 ILE 22 -0.819 5.988 -0.265
181 2HG1 ILE 22 2HG1 ILE 22 -0.025 5.231 1.111
182 1HG2 ILE 22 1HG2 ILE 22 -2.078 4.948 -1.630
183 2HG2 ILE 22 2HG2 ILE 22 -2.936 4.220 -0.271
184 3HG2 ILE 22 3HG2 ILE 22 -2.388 3.211 -1.610
185 1HD1 ILE 22 1HD1 ILE 22 1.584 6.333 -0.326
186 2HD1 ILE 22 2HD1 ILE 22 1.053 5.351 -1.690
187 3HD1 ILE 22 3HD1 ILE 22 1.847 4.589 -0.313
188 H THR 23 H THR 23 1.181 3.651 2.007
189 HA THR 23 HA THR 23 2.879 1.685 1.059
190 HB THR 23 HB THR 23 3.099 3.166 3.690
191 HG1 THR 23 HG1 THR 23 3.213 4.776 2.334
192 1HG2 THR 23 1HG2 THR 23 5.159 1.715 2.059
193 2HG2 THR 23 2HG2 THR 23 4.743 1.484 3.757
194 3HG2 THR 23 3HG2 THR 23 5.567 2.955 3.244
195 H LEU 24 H LEU 24 0.601 1.455 3.678
196 HA LEU 24 HA LEU 24 1.722 -1.144 4.485
197 1HB LEU 24 1HB LEU 24 0.168 -0.985 6.407
198 2HB LEU 24 2HB LEU 24 1.316 0.343 6.341
199 HG LEU 24 HG LEU 24 -0.741 1.374 4.941
200 1HD1 LEU 24 1HD1 LEU 24 -2.363 0.413 7.148
201 2HD1 LEU 24 2HD1 LEU 24 -1.909 -0.857 6.011
202 3HD1 LEU 24 3HD1 LEU 24 -2.752 0.584 5.434
203 1HD2 LEU 24 1HD2 LEU 24 -0.488 1.534 7.938
204 2HD2 LEU 24 2HD2 LEU 24 -1.186 2.746 6.864
205 3HD2 LEU 24 3HD2 LEU 24 0.543 2.402 6.800
206 H HIS 25 H HIS 25 -1.258 0.414 3.349
207 HA HIS 25 HA HIS 25 -2.804 -1.947 3.355
208 1HB HIS 25 1HB HIS 25 -4.455 -0.491 3.011
209 2HB HIS 25 2HB HIS 25 -3.290 0.799 2.830
210 HD1 HIS 25 HD1 HIS 25 -4.995 -1.815 0.639
211 HD2 HIS 25 HD2 HIS 25 -3.399 2.020 0.445
212 HE1 HIS 25 HE1 HIS 25 -5.555 -0.921 -1.658
213 H GLU 26 H GLU 26 -0.555 -0.553 1.062
214 HA GLU 26 HA GLU 26 -1.382 -2.139 -1.157
215 1HB GLU 26 1HB GLU 26 0.622 -1.448 -2.235
216 2HB GLU 26 2HB GLU 26 0.076 -0.075 -1.287
217 1HG GLU 26 1HG GLU 26 2.056 0.032 -0.322
218 2HG GLU 26 2HG GLU 26 1.811 -1.576 0.354
219 H LEU 27 H LEU 27 0.281 -2.808 1.783
220 HA LEU 27 HA LEU 27 1.404 -5.306 0.695
221 1HB LEU 27 1HB LEU 27 1.878 -3.746 3.210
222 2HB LEU 27 2HB LEU 27 2.292 -5.448 3.147
223 1HD1 LEU 27 1HD1 LEU 27 4.769 -4.842 0.309
224 2HD1 LEU 27 2HD1 LEU 27 3.060 -4.716 -0.105
225 3HD1 LEU 27 3HD1 LEU 27 3.633 -6.068 0.873
226 1HD2 LEU 27 1HD2 LEU 27 2.620 -2.273 1.750
227 2HD2 LEU 27 2HD2 LEU 27 3.961 -2.557 0.637
228 3HD2 LEU 27 3HD2 LEU 27 4.281 -2.257 2.345
229 H LEU 28 H LEU 28 -0.204 -4.424 3.765
230 HA LEU 28 HA LEU 28 -1.436 -7.058 3.871
231 1HB LEU 28 1HB LEU 28 -0.445 -6.229 5.908
232 2HB LEU 28 2HB LEU 28 -1.388 -4.754 5.819
233 HG LEU 28 HG LEU 28 -3.121 -7.070 5.858
234 1HD1 LEU 28 1HD1 LEU 28 -1.162 -6.781 8.130
235 2HD1 LEU 28 2HD1 LEU 28 -1.364 -8.177 7.070
236 3HD1 LEU 28 3HD1 LEU 28 -2.648 -7.730 8.194
237 1HD2 LEU 28 1HD2 LEU 28 -3.583 -4.618 6.397
238 2HD2 LEU 28 2HD2 LEU 28 -2.837 -4.947 7.961
239 3HD2 LEU 28 3HD2 LEU 28 -4.282 -5.830 7.471
240 H GLY 29 H GLY 29 -2.613 -3.698 4.263
241 1HA GLY 29 1HA GLY 29 -4.475 -2.739 3.206
242 2HA GLY 29 2HA GLY 29 -4.944 -4.331 2.630
243 H GLU 30 H GLU 30 -6.590 -5.312 3.621
244 HA GLU 30 HA GLU 30 -7.199 -4.685 6.407
245 1HB GLU 30 1HB GLU 30 -9.018 -4.147 4.075
246 2HB GLU 30 2HB GLU 30 -9.684 -4.514 5.660
247 1HG GLU 30 1HG GLU 30 -8.772 -2.578 6.615
248 2HG GLU 30 2HG GLU 30 -7.675 -2.324 5.259
249 H GLU 31 H GLU 31 -6.319 -6.892 6.511
250 HA GLU 31 HA GLU 31 -8.107 -8.982 5.511
251 1HB GLU 31 1HB GLU 31 -5.318 -9.026 6.652
252 2HB GLU 31 2HB GLU 31 -6.253 -10.499 6.438
253 1HG GLU 31 1HG GLU 31 -6.226 -10.334 4.125
254 2HG GLU 31 2HG GLU 31 -5.843 -8.613 4.154
255 H ARG 32 H ARG 32 -9.796 -8.333 7.035
256 HA ARG 32 HA ARG 32 -9.279 -9.169 9.806
257 1HB ARG 32 1HB ARG 32 -11.288 -7.930 10.413
258 2HB ARG 32 2HB ARG 32 -10.170 -6.897 9.535
259 1HG ARG 32 1HG ARG 32 -11.496 -6.965 7.577
260 2HG ARG 32 2HG ARG 32 -12.490 -8.277 8.214
261 1HD ARG 32 1HD ARG 32 -12.871 -6.439 10.137
262 2HD ARG 32 2HD ARG 32 -12.591 -5.375 8.760
263 HE ARG 32 HE ARG 32 -14.888 -7.032 9.238
264 1HH1 ARG 32 1HH1 ARG 32 -13.008 -5.407 6.769
265 2HH1 ARG 32 2HH1 ARG 32 -14.328 -5.316 5.652
266 1HH2 ARG 32 1HH2 ARG 32 -16.622 -6.906 7.762
267 2HH2 ARG 32 2HH2 ARG 32 -16.378 -6.166 6.216
268 H ARG 33 H ARG 33 -10.707 -10.580 10.876
269 HA ARG 33 HA ARG 33 -12.090 -12.357 11.138
270 1HB ARG 33 1HB ARG 33 -13.302 -11.615 8.469
271 2HB ARG 33 2HB ARG 33 -14.018 -12.637 9.705
272 1HG ARG 33 1HG ARG 33 -13.897 -10.583 11.221
273 2HG ARG 33 2HG ARG 33 -13.605 -9.669 9.740
274 1HD ARG 33 1HD ARG 33 -15.913 -11.556 9.853
275 2HD ARG 33 2HD ARG 33 -16.040 -9.998 10.666
276 HE ARG 33 HE ARG 33 -15.949 -8.921 8.595
277 1HH1 ARG 33 1HH1 ARG 33 -15.697 -12.398 8.214
278 2HH1 ARG 33 2HH1 ARG 33 -16.043 -12.356 6.520
279 1HH2 ARG 33 1HH2 ARG 33 -16.400 -8.882 6.361
280 2HH2 ARG 33 2HH2 ARG 33 -16.441 -10.365 5.468
Start of MODEL 28
1 H TYR 1 H TYR 1 -14.301 14.770 -0.081
2 HA TYR 1 HA TYR 1 -12.175 13.038 0.973
3 1HB TYR 1 1HB TYR 1 -14.135 11.405 1.281
4 2HB TYR 1 2HB TYR 1 -13.958 12.683 2.475
5 HD1 TYR 1 HD1 TYR 1 -15.561 14.532 2.565
6 HD2 TYR 1 HD2 TYR 1 -16.025 11.361 -0.235
7 HE1 TYR 1 HE1 TYR 1 -17.883 15.230 2.165
8 HE2 TYR 1 HE2 TYR 1 -18.347 12.052 -0.643
9 HH TYR 1 HH TYR 1 -20.132 13.665 1.164
10 H LYS 2 H LYS 2 -11.702 13.803 -1.438
11 HA LYS 2 HA LYS 2 -12.843 11.732 -3.196
12 1HB LYS 2 1HB LYS 2 -12.128 14.591 -3.854
13 2HB LYS 2 2HB LYS 2 -12.383 13.364 -5.087
14 1HG LYS 2 1HG LYS 2 -14.480 13.893 -3.022
15 2HG LYS 2 2HG LYS 2 -14.330 14.929 -4.442
16 1HD LYS 2 1HD LYS 2 -14.391 11.978 -4.841
17 2HD LYS 2 2HD LYS 2 -15.899 12.801 -4.439
18 1HE LYS 2 1HE LYS 2 -16.082 13.663 -6.489
19 2HE LYS 2 2HE LYS 2 -14.406 14.208 -6.490
20 1HZ LYS 2 1HZ LYS 2 -15.322 11.450 -7.116
21 2HZ LYS 2 2HZ LYS 2 -13.717 11.987 -7.136
22 3HZ LYS 2 3HZ LYS 2 -14.829 12.606 -8.251
23 H PHE 3 H PHE 3 -10.786 10.892 -1.849
24 HA PHE 3 HA PHE 3 -8.619 10.829 -3.805
25 1HB PHE 3 1HB PHE 3 -8.272 12.535 -1.813
26 2HB PHE 3 2HB PHE 3 -7.854 11.077 -0.922
27 HD1 PHE 3 HD1 PHE 3 -6.804 13.456 -3.450
28 HD2 PHE 3 HD2 PHE 3 -5.911 9.741 -1.596
29 HE1 PHE 3 HE1 PHE 3 -4.514 13.564 -4.340
30 HE2 PHE 3 HE2 PHE 3 -3.617 9.831 -2.477
31 HZ PHE 3 HZ PHE 3 -2.916 11.751 -3.859
32 H ALA 4 H ALA 4 -8.615 8.728 -4.318
33 HA ALA 4 HA ALA 4 -8.789 6.760 -2.163
34 1HB ALA 4 1HB ALA 4 -9.565 6.440 -5.053
35 2HB ALA 4 2HB ALA 4 -10.670 6.610 -3.688
36 3HB ALA 4 3HB ALA 4 -9.650 5.177 -3.825
37 H CYS 5 H CYS 5 -7.392 4.988 -2.151
38 HA CYS 5 HA CYS 5 -4.765 5.470 -3.041
39 1HB CYS 5 1HB CYS 5 -5.871 2.779 -2.240
40 2HB CYS 5 2HB CYS 5 -4.212 3.345 -2.100
41 HG CYS 5 HG CYS 5 -4.938 4.848 -0.118
42 HA PRO 6 HA PRO 6 -4.689 3.806 -7.132
43 1HB PRO 6 1HB PRO 6 -2.197 2.713 -7.226
44 2HB PRO 6 2HB PRO 6 -2.494 4.454 -7.292
45 1HG PRO 6 1HG PRO 6 -1.667 2.758 -4.970
46 2HG PRO 6 2HG PRO 6 -1.083 4.362 -5.450
47 1HD PRO 6 1HD PRO 6 -2.881 3.998 -3.459
48 2HD PRO 6 2HD PRO 6 -2.882 5.439 -4.495
49 H GLU 7 H GLU 7 -4.338 1.776 -4.361
50 HA GLU 7 HA GLU 7 -4.582 -0.661 -5.969
51 1HB GLU 7 1HB GLU 7 -3.221 -0.031 -3.544
52 2HB GLU 7 2HB GLU 7 -4.445 -1.240 -3.182
53 1HG GLU 7 1HG GLU 7 -2.781 -1.716 -5.574
54 2HG GLU 7 2HG GLU 7 -1.984 -1.845 -4.008
55 H CYS 8 H CYS 8 -6.091 0.841 -3.071
56 HA CYS 8 HA CYS 8 -8.491 -0.766 -3.624
57 1HB CYS 8 1HB CYS 8 -9.171 -0.425 -1.350
58 2HB CYS 8 2HB CYS 8 -7.537 -1.020 -1.372
59 HG CYS 8 HG CYS 8 -7.474 0.863 0.323
60 HA PRO 9 HA PRO 9 -10.967 2.716 -4.509
61 1HB PRO 9 1HB PRO 9 -13.382 1.775 -3.860
62 2HB PRO 9 2HB PRO 9 -12.426 1.036 -5.149
63 1HG PRO 9 1HG PRO 9 -12.861 0.110 -2.342
64 2HG PRO 9 2HG PRO 9 -12.754 -0.841 -3.833
65 1HD PRO 9 1HD PRO 9 -10.674 -0.456 -2.005
66 2HD PRO 9 2HD PRO 9 -10.483 -1.007 -3.672
67 H LYS 10 H LYS 10 -10.268 2.019 -1.322
68 HA LYS 10 HA LYS 10 -12.192 3.275 0.212
69 1HB LYS 10 1HB LYS 10 -9.249 2.853 0.543
70 2HB LYS 10 2HB LYS 10 -10.108 3.863 1.697
71 1HG LYS 10 1HG LYS 10 -11.713 1.885 1.947
72 2HG LYS 10 2HG LYS 10 -10.463 0.942 1.132
73 1HD LYS 10 1HD LYS 10 -8.875 1.936 2.907
74 2HD LYS 10 2HD LYS 10 -10.352 2.330 3.788
75 1HE LYS 10 1HE LYS 10 -11.007 -0.069 3.619
76 2HE LYS 10 2HE LYS 10 -9.429 -0.402 2.908
77 1HZ LYS 10 1HZ LYS 10 -9.458 -0.861 5.282
78 2HZ LYS 10 2HZ LYS 10 -9.893 0.740 5.611
79 3HZ LYS 10 3HZ LYS 10 -8.384 0.397 4.930
80 H ARG 11 H ARG 11 -12.854 5.287 0.460
81 HA ARG 11 HA ARG 11 -11.347 7.443 -0.836
82 1HB ARG 11 1HB ARG 11 -13.493 8.759 -0.451
83 2HB ARG 11 2HB ARG 11 -13.584 7.434 -1.601
84 1HG ARG 11 1HG ARG 11 -14.950 6.185 -0.273
85 2HG ARG 11 2HG ARG 11 -14.313 6.871 1.222
86 1HD ARG 11 1HD ARG 11 -16.534 7.680 0.975
87 2HD ARG 11 2HD ARG 11 -15.450 9.021 0.608
88 HE ARG 11 HE ARG 11 -16.244 9.036 -1.538
89 1HH1 ARG 11 1HH1 ARG 11 -17.205 6.028 -0.023
90 2HH1 ARG 11 2HH1 ARG 11 -18.236 5.557 -1.330
91 1HH2 ARG 11 1HH2 ARG 11 -17.607 8.414 -3.253
92 2HH2 ARG 11 2HH2 ARG 11 -18.466 6.912 -3.165
93 H PHE 12 H PHE 12 -10.046 8.612 0.395
94 HA PHE 12 HA PHE 12 -10.568 8.793 3.278
95 1HB PHE 12 1HB PHE 12 -8.084 9.595 1.752
96 2HB PHE 12 2HB PHE 12 -8.259 9.551 3.495
97 HD1 PHE 12 HD1 PHE 12 -7.081 7.865 4.472
98 HD2 PHE 12 HD2 PHE 12 -8.909 7.127 0.698
99 HE1 PHE 12 HE1 PHE 12 -6.209 5.566 4.501
100 HE2 PHE 12 HE2 PHE 12 -8.046 4.826 0.727
101 HZ PHE 12 HZ PHE 12 -6.686 4.034 2.629
102 H MET 13 H MET 13 -9.563 11.043 4.137
103 HA MET 13 HA MET 13 -11.260 13.080 2.941
104 1HB MET 13 1HB MET 13 -10.957 12.514 5.487
105 2HB MET 13 2HB MET 13 -9.553 13.563 5.351
106 1HG MET 13 1HG MET 13 -11.289 14.938 6.101
107 2HG MET 13 2HG MET 13 -11.117 15.302 4.385
108 1HE MET 13 1HE MET 13 -13.551 16.511 5.064
109 2HE MET 13 2HE MET 13 -14.848 15.711 4.176
110 3HE MET 13 3HE MET 13 -13.310 16.041 3.381
111 H ARG 14 H ARG 14 -7.820 12.475 3.507
112 HA ARG 14 HA ARG 14 -7.201 14.733 1.717
113 1HB ARG 14 1HB ARG 14 -5.672 13.979 4.216
114 2HB ARG 14 2HB ARG 14 -5.209 15.234 3.077
115 1HG ARG 14 1HG ARG 14 -7.081 16.576 3.671
116 2HG ARG 14 2HG ARG 14 -7.795 15.266 4.614
117 1HD ARG 14 1HD ARG 14 -6.831 16.653 6.223
118 2HD ARG 14 2HD ARG 14 -5.652 15.360 6.011
119 HE ARG 14 HE ARG 14 -5.256 17.772 4.431
120 1HH1 ARG 14 1HH1 ARG 14 -4.352 15.920 7.266
121 2HH1 ARG 14 2HH1 ARG 14 -2.847 16.747 7.472
122 1HH2 ARG 14 1HH2 ARG 14 -3.274 18.854 4.714
123 2HH2 ARG 14 2HH2 ARG 14 -2.235 18.412 6.027
124 H SER 15 H SER 15 -5.019 14.580 0.737
125 HA SER 15 HA SER 15 -4.620 12.063 -0.477
126 1HB SER 15 1HB SER 15 -2.538 13.129 -1.393
127 2HB SER 15 2HB SER 15 -4.001 14.073 -1.659
128 HG SER 15 HG SER 15 -1.791 14.618 -0.078
129 H ASP 16 H ASP 16 -2.868 13.768 2.102
130 HA ASP 16 HA ASP 16 -0.804 11.876 2.419
131 1HB ASP 16 1HB ASP 16 -0.631 12.889 4.768
132 2HB ASP 16 2HB ASP 16 -0.399 13.970 3.400
133 H HIS 17 H HIS 17 -4.091 11.987 3.632
134 HA HIS 17 HA HIS 17 -3.940 10.150 5.725
135 1HB HIS 17 1HB HIS 17 -6.150 10.798 3.777
136 2HB HIS 17 2HB HIS 17 -6.367 9.623 5.066
137 HD1 HIS 17 HD1 HIS 17 -8.278 11.483 5.717
138 HD2 HIS 17 HD2 HIS 17 -4.309 12.520 6.370
139 HE1 HIS 17 HE1 HIS 17 -8.343 13.414 7.327
140 HE2 HIS 17 HE2 HIS 17 -5.931 14.043 7.687
141 H LEU 18 H LEU 18 -3.817 9.679 2.276
142 HA LEU 18 HA LEU 18 -4.131 6.786 2.473
143 1HB LEU 18 1HB LEU 18 -3.545 8.570 0.124
144 2HB LEU 18 2HB LEU 18 -3.776 6.840 0.027
145 HG LEU 18 HG LEU 18 -6.099 7.271 1.002
146 1HD1 LEU 18 1HD1 LEU 18 -6.871 9.618 0.211
147 2HD1 LEU 18 2HD1 LEU 18 -5.170 10.044 0.387
148 3HD1 LEU 18 3HD1 LEU 18 -6.078 9.451 1.777
149 1HD2 LEU 18 1HD2 LEU 18 -5.981 6.557 -1.198
150 2HD2 LEU 18 2HD2 LEU 18 -5.145 8.017 -1.726
151 3HD2 LEU 18 3HD2 LEU 18 -6.860 8.080 -1.319
152 H SER 19 H SER 19 -1.725 9.148 1.354
153 HA SER 19 HA SER 19 0.340 7.637 0.574
154 1HB SER 19 1HB SER 19 0.562 10.027 0.597
155 2HB SER 19 2HB SER 19 0.468 10.082 2.357
156 HG SER 19 HG SER 19 2.597 9.411 0.699
157 H LYS 20 H LYS 20 -0.541 8.115 3.974
158 HA LYS 20 HA LYS 20 1.665 6.494 4.914
159 1HB LYS 20 1HB LYS 20 0.438 8.479 6.120
160 2HB LYS 20 2HB LYS 20 -0.690 7.226 6.618
161 1HG LYS 20 1HG LYS 20 0.943 6.082 7.846
162 2HG LYS 20 2HG LYS 20 2.262 6.955 7.066
163 1HD LYS 20 1HD LYS 20 1.193 9.055 8.124
164 2HD LYS 20 2HD LYS 20 0.348 7.910 9.167
165 1HE LYS 20 1HE LYS 20 3.320 7.762 8.824
166 2HE LYS 20 2HE LYS 20 2.604 8.911 9.953
167 1HZ LYS 20 1HZ LYS 20 2.215 5.965 9.993
168 2HZ LYS 20 2HZ LYS 20 1.506 7.061 11.069
169 3HZ LYS 20 3HZ LYS 20 3.184 6.853 11.060
170 H HIS 21 H HIS 21 -1.752 6.085 4.204
171 HA HIS 21 HA HIS 21 -1.918 3.480 5.428
172 1HB HIS 21 1HB HIS 21 -3.994 4.431 5.518
173 2HB HIS 21 2HB HIS 21 -3.776 5.314 4.015
174 HD1 HIS 21 HD1 HIS 21 -5.787 2.704 5.331
175 HD2 HIS 21 HD2 HIS 21 -3.797 3.296 1.740
176 HE1 HIS 21 HE1 HIS 21 -6.925 1.207 3.635
177 H ILE 22 H ILE 22 -1.327 4.722 2.173
178 HA ILE 22 HA ILE 22 -1.814 2.300 0.815
179 HB ILE 22 HB ILE 22 -0.124 3.297 -0.905
180 1HG1 ILE 22 1HG1 ILE 22 -0.820 5.979 -0.202
181 2HG1 ILE 22 2HG1 ILE 22 0.011 5.221 1.152
182 1HG2 ILE 22 1HG2 ILE 22 -2.925 3.985 -0.277
183 2HG2 ILE 22 2HG2 ILE 22 -2.226 3.285 -1.737
184 3HG2 ILE 22 3HG2 ILE 22 -2.109 5.020 -1.448
185 1HD1 ILE 22 1HD1 ILE 22 1.055 5.296 -1.662
186 2HD1 ILE 22 2HD1 ILE 22 1.897 4.686 -0.238
187 3HD1 ILE 22 3HD1 ILE 22 1.529 6.405 -0.377
188 H THR 23 H THR 23 1.194 3.641 2.089
189 HA THR 23 HA THR 23 2.899 1.666 1.149
190 HB THR 23 HB THR 23 3.143 3.146 3.777
191 HG1 THR 23 HG1 THR 23 3.192 4.781 2.450
192 1HG2 THR 23 1HG2 THR 23 5.176 1.754 2.066
193 2HG2 THR 23 2HG2 THR 23 4.824 1.503 3.776
194 3HG2 THR 23 3HG2 THR 23 5.605 2.992 3.245
195 H LEU 24 H LEU 24 0.532 1.408 3.649
196 HA LEU 24 HA LEU 24 1.687 -1.149 4.545
197 1HB LEU 24 1HB LEU 24 0.055 -0.994 6.416
198 2HB LEU 24 2HB LEU 24 1.224 0.316 6.390
199 HG LEU 24 HG LEU 24 -0.767 1.403 4.945
200 1HD1 LEU 24 1HD1 LEU 24 -2.807 0.622 5.347
201 2HD1 LEU 24 2HD1 LEU 24 -2.482 0.414 7.070
202 3HD1 LEU 24 3HD1 LEU 24 -2.000 -0.838 5.924
203 1HD2 LEU 24 1HD2 LEU 24 0.454 2.371 6.876
204 2HD2 LEU 24 2HD2 LEU 24 -0.633 1.492 7.951
205 3HD2 LEU 24 3HD2 LEU 24 -1.271 2.736 6.877
206 H HIS 25 H HIS 25 -1.264 0.366 3.309
207 HA HIS 25 HA HIS 25 -2.764 -2.038 3.240
208 1HB HIS 25 1HB HIS 25 -4.450 -0.589 2.968
209 2HB HIS 25 2HB HIS 25 -3.305 0.725 2.826
210 HD1 HIS 25 HD1 HIS 25 -5.052 -1.807 0.586
211 HD2 HIS 25 HD2 HIS 25 -3.343 1.980 0.444
212 HE1 HIS 25 HE1 HIS 25 -5.570 -0.876 -1.704
213 H GLU 26 H GLU 26 -0.647 -0.407 0.941
214 HA GLU 26 HA GLU 26 -1.433 -2.156 -1.216
215 1HB GLU 26 1HB GLU 26 -0.031 -0.933 -2.577
216 2HB GLU 26 2HB GLU 26 -0.409 0.261 -1.345
217 1HG GLU 26 1HG GLU 26 1.726 -0.386 -0.203
218 2HG GLU 26 2HG GLU 26 2.106 -1.359 -1.623
219 H LEU 27 H LEU 27 0.508 -2.442 1.551
220 HA LEU 27 HA LEU 27 2.231 -4.495 0.340
221 1HB LEU 27 1HB LEU 27 2.275 -3.007 2.944
222 2HB LEU 27 2HB LEU 27 3.169 -4.504 2.766
223 1HD1 LEU 27 1HD1 LEU 27 4.333 -4.256 0.025
224 2HD1 LEU 27 2HD1 LEU 27 5.196 -4.612 1.520
225 3HD1 LEU 27 3HD1 LEU 27 5.720 -3.274 0.497
226 1HD2 LEU 27 1HD2 LEU 27 3.369 -2.146 -0.306
227 2HD2 LEU 27 2HD2 LEU 27 4.107 -0.939 0.745
228 3HD2 LEU 27 3HD2 LEU 27 2.447 -1.467 1.038
229 H LEU 28 H LEU 28 0.418 -4.222 3.410
230 HA LEU 28 HA LEU 28 -0.192 -7.092 3.217
231 1HB LEU 28 1HB LEU 28 -0.152 -5.214 5.578
232 2HB LEU 28 2HB LEU 28 -0.735 -6.865 5.662
233 HG LEU 28 HG LEU 28 1.731 -7.269 4.599
234 1HD1 LEU 28 1HD1 LEU 28 3.329 -5.882 5.783
235 2HD1 LEU 28 2HD1 LEU 28 2.018 -4.949 6.503
236 3HD1 LEU 28 3HD1 LEU 28 2.293 -4.884 4.763
237 1HD2 LEU 28 1HD2 LEU 28 1.065 -7.044 7.532
238 2HD2 LEU 28 2HD2 LEU 28 2.401 -7.961 6.836
239 3HD2 LEU 28 3HD2 LEU 28 0.736 -8.439 6.505
240 H GLY 29 H GLY 29 -2.291 -7.862 3.521
241 1HA GLY 29 1HA GLY 29 -4.372 -6.040 2.682
242 2HA GLY 29 2HA GLY 29 -4.538 -7.770 2.941
243 H GLU 30 H GLU 30 -5.920 -5.120 3.890
244 HA GLU 30 HA GLU 30 -6.020 -5.844 6.746
245 1HB GLU 30 1HB GLU 30 -6.185 -3.227 5.322
246 2HB GLU 30 2HB GLU 30 -7.112 -3.421 6.805
247 1HG GLU 30 1HG GLU 30 -5.080 -2.471 7.462
248 2HG GLU 30 2HG GLU 30 -4.955 -4.175 7.892
249 H GLU 31 H GLU 31 -7.574 -7.482 6.392
250 HA GLU 31 HA GLU 31 -10.221 -6.555 5.509
251 1HB GLU 31 1HB GLU 31 -10.759 -9.016 5.376
252 2HB GLU 31 2HB GLU 31 -9.548 -8.449 4.238
253 1HG GLU 31 1HG GLU 31 -8.434 -9.431 6.755
254 2HG GLU 31 2HG GLU 31 -9.321 -10.645 5.836
255 H ARG 32 H ARG 32 -11.616 -6.040 7.042
256 HA ARG 32 HA ARG 32 -11.332 -7.255 9.705
257 1HB ARG 32 1HB ARG 32 -12.212 -4.599 8.734
258 2HB ARG 32 2HB ARG 32 -13.092 -5.247 10.111
259 1HG ARG 32 1HG ARG 32 -10.095 -5.098 10.058
260 2HG ARG 32 2HG ARG 32 -11.101 -3.754 10.602
261 1HD ARG 32 1HD ARG 32 -12.051 -5.101 12.351
262 2HD ARG 32 2HD ARG 32 -11.239 -6.542 11.742
263 HE ARG 32 HE ARG 32 -9.299 -5.856 12.762
264 1HH1 ARG 32 1HH1 ARG 32 -11.599 -3.215 12.808
265 2HH1 ARG 32 2HH1 ARG 32 -10.653 -2.250 13.889
266 1HH2 ARG 32 1HH2 ARG 32 -8.058 -4.578 14.184
267 2HH2 ARG 32 2HH2 ARG 32 -8.643 -3.022 14.669
268 H ARG 33 H ARG 33 -12.956 -8.386 10.639
269 HA ARG 33 HA ARG 33 -14.919 -9.487 10.933
270 1HB ARG 33 1HB ARG 33 -15.713 -7.088 9.610
271 2HB ARG 33 2HB ARG 33 -16.636 -8.417 8.924
272 1HG ARG 33 1HG ARG 33 -17.981 -7.761 10.661
273 2HG ARG 33 2HG ARG 33 -17.050 -9.060 11.410
274 1HD ARG 33 1HD ARG 33 -15.938 -7.649 12.786
275 2HD ARG 33 2HD ARG 33 -15.872 -6.361 11.586
276 HE ARG 33 HE ARG 33 -17.843 -5.516 12.411
277 1HH1 ARG 33 1HH1 ARG 33 -17.307 -8.696 13.780
278 2HH1 ARG 33 2HH1 ARG 33 -18.578 -8.542 14.944
279 1HH2 ARG 33 1HH2 ARG 33 -19.517 -5.323 13.948
280 2HH2 ARG 33 2HH2 ARG 33 -19.833 -6.630 15.039
Start of MODEL 29
1 H TYR 1 H TYR 1 -13.425 14.509 0.199
2 HA TYR 1 HA TYR 1 -12.986 11.735 1.035
3 1HB TYR 1 1HB TYR 1 -15.480 11.472 0.655
4 2HB TYR 1 2HB TYR 1 -15.020 12.314 2.128
5 HD1 TYR 1 HD1 TYR 1 -15.497 14.675 2.414
6 HD2 TYR 1 HD2 TYR 1 -16.547 12.672 -1.190
7 HE1 TYR 1 HE1 TYR 1 -16.931 16.569 1.785
8 HE2 TYR 1 HE2 TYR 1 -17.983 14.561 -1.828
9 HH TYR 1 HH TYR 1 -19.236 16.596 -0.074
10 H LYS 2 H LYS 2 -11.758 13.129 -1.108
11 HA LYS 2 HA LYS 2 -12.960 11.692 -3.364
12 1HB LYS 2 1HB LYS 2 -13.374 14.307 -3.238
13 2HB LYS 2 2HB LYS 2 -11.746 14.365 -3.902
14 1HG LYS 2 1HG LYS 2 -12.758 12.609 -5.598
15 2HG LYS 2 2HG LYS 2 -14.268 13.392 -5.129
16 1HD LYS 2 1HD LYS 2 -12.078 15.247 -5.732
17 2HD LYS 2 2HD LYS 2 -12.595 14.263 -7.102
18 1HE LYS 2 1HE LYS 2 -14.928 14.971 -6.675
19 2HE LYS 2 2HE LYS 2 -14.344 16.023 -5.388
20 1HZ LYS 2 1HZ LYS 2 -13.031 17.230 -7.025
21 2HZ LYS 2 2HZ LYS 2 -14.673 17.250 -7.435
22 3HZ LYS 2 3HZ LYS 2 -13.609 16.225 -8.259
23 H PHE 3 H PHE 3 -10.868 10.746 -1.850
24 HA PHE 3 HA PHE 3 -8.715 10.736 -3.824
25 1HB PHE 3 1HB PHE 3 -8.348 12.354 -1.747
26 2HB PHE 3 2HB PHE 3 -7.900 10.851 -0.951
27 HD1 PHE 3 HD1 PHE 3 -6.976 13.306 -3.484
28 HD2 PHE 3 HD2 PHE 3 -5.920 9.629 -1.638
29 HE1 PHE 3 HE1 PHE 3 -4.716 13.476 -4.438
30 HE2 PHE 3 HE2 PHE 3 -3.656 9.781 -2.581
31 HZ PHE 3 HZ PHE 3 -3.052 11.713 -3.991
32 H ALA 4 H ALA 4 -8.548 8.664 -4.388
33 HA ALA 4 HA ALA 4 -8.852 6.617 -2.323
34 1HB ALA 4 1HB ALA 4 -9.636 5.095 -4.048
35 2HB ALA 4 2HB ALA 4 -9.417 6.351 -5.267
36 3HB ALA 4 3HB ALA 4 -10.629 6.551 -4.002
37 H CYS 5 H CYS 5 -7.396 4.935 -2.203
38 HA CYS 5 HA CYS 5 -4.743 5.444 -2.993
39 1HB CYS 5 1HB CYS 5 -5.886 2.769 -2.177
40 2HB CYS 5 2HB CYS 5 -4.213 3.294 -2.049
41 HG CYS 5 HG CYS 5 -6.123 3.549 0.120
42 HA PRO 6 HA PRO 6 -4.355 3.784 -7.062
43 1HB PRO 6 1HB PRO 6 -1.905 2.366 -6.226
44 2HB PRO 6 2HB PRO 6 -2.110 3.638 -7.432
45 1HG PRO 6 1HG PRO 6 -0.908 4.112 -5.082
46 2HG PRO 6 2HG PRO 6 -1.922 5.331 -5.875
47 1HD PRO 6 1HD PRO 6 -2.568 3.535 -3.571
48 2HD PRO 6 2HD PRO 6 -2.992 5.240 -3.826
49 H GLU 7 H GLU 7 -4.175 1.632 -4.305
50 HA GLU 7 HA GLU 7 -4.660 -0.707 -5.992
51 1HB GLU 7 1HB GLU 7 -2.935 -0.591 -4.055
52 2HB GLU 7 2HB GLU 7 -4.333 -0.796 -3.013
53 1HG GLU 7 1HG GLU 7 -3.698 -2.687 -5.256
54 2HG GLU 7 2HG GLU 7 -3.051 -2.883 -3.628
55 H CYS 8 H CYS 8 -6.062 0.771 -3.021
56 HA CYS 8 HA CYS 8 -8.547 -0.672 -3.618
57 1HB CYS 8 1HB CYS 8 -9.224 -0.328 -1.355
58 2HB CYS 8 2HB CYS 8 -7.606 -0.962 -1.356
59 HG CYS 8 HG CYS 8 -7.499 0.915 0.337
60 HA PRO 9 HA PRO 9 -10.869 2.908 -4.509
61 1HB PRO 9 1HB PRO 9 -13.321 2.037 -3.916
62 2HB PRO 9 2HB PRO 9 -12.362 1.273 -5.189
63 1HG PRO 9 1HG PRO 9 -12.883 0.351 -2.395
64 2HG PRO 9 2HG PRO 9 -12.779 -0.597 -3.889
65 1HD PRO 9 1HD PRO 9 -10.721 -0.283 -2.019
66 2HD PRO 9 2HD PRO 9 -10.519 -0.839 -3.684
67 H LYS 10 H LYS 10 -10.327 2.095 -1.290
68 HA LYS 10 HA LYS 10 -12.223 3.416 0.203
69 1HB LYS 10 1HB LYS 10 -9.306 2.893 0.606
70 2HB LYS 10 2HB LYS 10 -10.159 3.917 1.752
71 1HG LYS 10 1HG LYS 10 -11.777 2.075 2.118
72 2HG LYS 10 2HG LYS 10 -10.793 1.055 1.066
73 1HD LYS 10 1HD LYS 10 -8.872 1.409 2.589
74 2HD LYS 10 2HD LYS 10 -9.926 2.333 3.661
75 1HE LYS 10 1HE LYS 10 -11.393 0.300 3.806
76 2HE LYS 10 2HE LYS 10 -10.141 -0.585 2.935
77 1HZ LYS 10 1HZ LYS 10 -9.932 -0.904 5.311
78 2HZ LYS 10 2HZ LYS 10 -9.808 0.764 5.562
79 3HZ LYS 10 3HZ LYS 10 -8.590 -0.057 4.723
80 H ARG 11 H ARG 11 -12.872 5.443 0.355
81 HA ARG 11 HA ARG 11 -11.239 7.558 -0.837
82 1HB ARG 11 1HB ARG 11 -13.301 8.942 -0.669
83 2HB ARG 11 2HB ARG 11 -13.507 7.497 -1.647
84 1HG ARG 11 1HG ARG 11 -15.284 6.984 -0.436
85 2HG ARG 11 2HG ARG 11 -14.237 6.780 0.969
86 1HD ARG 11 1HD ARG 11 -14.618 9.554 0.626
87 2HD ARG 11 2HD ARG 11 -16.201 8.799 0.455
88 HE ARG 11 HE ARG 11 -14.635 9.022 2.849
89 1HH1 ARG 11 1HH1 ARG 11 -17.128 7.150 1.247
90 2HH1 ARG 11 2HH1 ARG 11 -17.789 6.542 2.726
91 1HH2 ARG 11 1HH2 ARG 11 -15.515 8.212 4.791
92 2HH2 ARG 11 2HH2 ARG 11 -16.877 7.144 4.735
93 H PHE 12 H PHE 12 -9.940 8.657 0.449
94 HA PHE 12 HA PHE 12 -10.552 8.868 3.307
95 1HB PHE 12 1HB PHE 12 -8.006 9.598 1.850
96 2HB PHE 12 2HB PHE 12 -8.228 9.561 3.589
97 HD1 PHE 12 HD1 PHE 12 -7.058 7.863 4.561
98 HD2 PHE 12 HD2 PHE 12 -8.931 7.135 0.809
99 HE1 PHE 12 HE1 PHE 12 -6.244 5.545 4.605
100 HE2 PHE 12 HE2 PHE 12 -8.126 4.815 0.854
101 HZ PHE 12 HZ PHE 12 -6.772 4.010 2.751
102 H MET 13 H MET 13 -9.693 11.045 4.277
103 HA MET 13 HA MET 13 -11.250 13.137 3.054
104 1HB MET 13 1HB MET 13 -10.946 12.595 5.586
105 2HB MET 13 2HB MET 13 -9.477 13.548 5.438
106 1HG MET 13 1HG MET 13 -11.144 15.012 6.217
107 2HG MET 13 2HG MET 13 -10.901 15.402 4.515
108 1HE MET 13 1HE MET 13 -14.632 16.166 4.733
109 2HE MET 13 2HE MET 13 -12.982 16.787 4.752
110 3HE MET 13 3HE MET 13 -13.735 16.243 6.250
111 H ARG 14 H ARG 14 -7.806 12.487 3.589
112 HA ARG 14 HA ARG 14 -7.178 14.669 1.713
113 1HB ARG 14 1HB ARG 14 -5.772 14.074 4.322
114 2HB ARG 14 2HB ARG 14 -5.139 15.153 3.088
115 1HG ARG 14 1HG ARG 14 -6.477 16.832 3.703
116 2HG ARG 14 2HG ARG 14 -7.874 15.775 3.910
117 1HD ARG 14 1HD ARG 14 -7.372 15.315 6.105
118 2HD ARG 14 2HD ARG 14 -5.652 15.627 5.888
119 HE ARG 14 HE ARG 14 -6.019 17.853 6.323
120 1HH1 ARG 14 1HH1 ARG 14 -9.103 16.255 5.872
121 2HH1 ARG 14 2HH1 ARG 14 -10.023 17.607 6.437
122 1HH2 ARG 14 1HH2 ARG 14 -7.239 19.630 7.062
123 2HH2 ARG 14 2HH2 ARG 14 -8.966 19.523 7.111
124 H SER 15 H SER 15 -5.154 14.446 0.597
125 HA SER 15 HA SER 15 -4.680 11.898 -0.445
126 1HB SER 15 1HB SER 15 -2.560 14.039 -0.431
127 2HB SER 15 2HB SER 15 -2.934 12.865 -1.692
128 HG SER 15 HG SER 15 -3.707 14.934 -2.237
129 H ASP 16 H ASP 16 -2.981 13.677 2.109
130 HA ASP 16 HA ASP 16 -0.874 11.862 2.496
131 1HB ASP 16 1HB ASP 16 -0.897 12.867 4.896
132 2HB ASP 16 2HB ASP 16 -0.501 13.902 3.532
133 H HIS 17 H HIS 17 -4.177 11.882 3.726
134 HA HIS 17 HA HIS 17 -3.952 9.997 5.767
135 1HB HIS 17 1HB HIS 17 -6.226 10.606 3.877
136 2HB HIS 17 2HB HIS 17 -6.375 9.443 5.185
137 HD1 HIS 17 HD1 HIS 17 -8.313 11.250 5.879
138 HD2 HIS 17 HD2 HIS 17 -4.357 12.415 6.385
139 HE1 HIS 17 HE1 HIS 17 -8.383 13.195 7.469
140 HE2 HIS 17 HE2 HIS 17 -5.984 13.922 7.714
141 H LEU 18 H LEU 18 -3.930 9.602 2.301
142 HA LEU 18 HA LEU 18 -4.165 6.702 2.454
143 1HB LEU 18 1HB LEU 18 -3.638 8.485 0.088
144 2HB LEU 18 2HB LEU 18 -3.965 6.768 0.022
145 HG LEU 18 HG LEU 18 -6.211 7.387 1.140
146 1HD1 LEU 18 1HD1 LEU 18 -6.872 9.719 0.175
147 2HD1 LEU 18 2HD1 LEU 18 -5.142 10.036 0.282
148 3HD1 LEU 18 3HD1 LEU 18 -6.049 9.608 1.731
149 1HD2 LEU 18 1HD2 LEU 18 -6.945 8.199 -1.273
150 2HD2 LEU 18 2HD2 LEU 18 -6.460 6.536 -0.947
151 3HD2 LEU 18 3HD2 LEU 18 -5.308 7.669 -1.659
152 H SER 19 H SER 19 -1.853 9.132 1.286
153 HA SER 19 HA SER 19 0.232 7.667 0.457
154 1HB SER 19 1HB SER 19 0.338 10.088 0.493
155 2HB SER 19 2HB SER 19 0.392 10.101 2.256
156 HG SER 19 HG SER 19 2.456 9.661 2.189
157 H LYS 20 H LYS 20 -0.606 8.127 3.866
158 HA LYS 20 HA LYS 20 1.662 6.564 4.769
159 1HB LYS 20 1HB LYS 20 0.576 8.530 6.020
160 2HB LYS 20 2HB LYS 20 -0.698 7.397 6.448
161 1HG LYS 20 1HG LYS 20 1.965 6.358 6.993
162 2HG LYS 20 2HG LYS 20 1.613 7.853 7.862
163 1HD LYS 20 1HD LYS 20 -0.596 5.939 7.892
164 2HD LYS 20 2HD LYS 20 0.875 5.329 8.652
165 1HE LYS 20 1HE LYS 20 0.963 7.260 10.110
166 2HE LYS 20 2HE LYS 20 -0.435 7.968 9.300
167 1HZ LYS 20 1HZ LYS 20 -1.791 6.147 10.089
168 2HZ LYS 20 2HZ LYS 20 -1.025 6.896 11.398
169 3HZ LYS 20 3HZ LYS 20 -0.452 5.414 10.819
170 H HIS 21 H HIS 21 -1.777 6.128 4.191
171 HA HIS 21 HA HIS 21 -1.909 3.537 5.426
172 1HB HIS 21 1HB HIS 21 -3.989 4.480 5.516
173 2HB HIS 21 2HB HIS 21 -3.783 5.347 4.004
174 HD1 HIS 21 HD1 HIS 21 -5.818 2.792 5.349
175 HD2 HIS 21 HD2 HIS 21 -3.793 3.268 1.763
176 HE1 HIS 21 HE1 HIS 21 -6.965 1.273 3.682
177 H ILE 22 H ILE 22 -1.306 4.731 2.163
178 HA ILE 22 HA ILE 22 -1.804 2.288 0.834
179 HB ILE 22 HB ILE 22 -0.138 3.281 -0.915
180 1HG1 ILE 22 1HG1 ILE 22 -0.858 5.966 -0.226
181 2HG1 ILE 22 2HG1 ILE 22 0.006 5.227 1.118
182 1HG2 ILE 22 1HG2 ILE 22 -2.334 3.146 -1.593
183 2HG2 ILE 22 2HG2 ILE 22 -2.071 4.891 -1.611
184 3HG2 ILE 22 3HG2 ILE 22 -2.919 4.141 -0.259
185 1HD1 ILE 22 1HD1 ILE 22 1.495 6.411 -0.424
186 2HD1 ILE 22 2HD1 ILE 22 0.995 5.320 -1.717
187 3HD1 ILE 22 3HD1 ILE 22 1.868 4.691 -0.319
188 H THR 23 H THR 23 1.216 3.666 2.051
189 HA THR 23 HA THR 23 2.917 1.696 1.102
190 HB THR 23 HB THR 23 3.161 3.194 3.723
191 HG1 THR 23 HG1 THR 23 3.877 3.863 1.073
192 1HG2 THR 23 1HG2 THR 23 4.814 1.501 3.744
193 2HG2 THR 23 2HG2 THR 23 5.618 2.999 3.272
194 3HG2 THR 23 3HG2 THR 23 5.224 1.788 2.053
195 H LEU 24 H LEU 24 0.581 1.440 3.634
196 HA LEU 24 HA LEU 24 1.723 -1.131 4.499
197 1HB LEU 24 1HB LEU 24 0.113 -0.976 6.388
198 2HB LEU 24 2HB LEU 24 1.288 0.328 6.356
199 HG LEU 24 HG LEU 24 -0.733 1.403 4.921
200 1HD1 LEU 24 1HD1 LEU 24 -2.366 0.453 7.137
201 2HD1 LEU 24 2HD1 LEU 24 -1.951 -0.801 5.967
202 3HD1 LEU 24 3HD1 LEU 24 -2.770 0.669 5.432
203 1HD2 LEU 24 1HD2 LEU 24 0.557 2.420 6.774
204 2HD2 LEU 24 2HD2 LEU 24 -0.478 1.565 7.917
205 3HD2 LEU 24 3HD2 LEU 24 -1.167 2.783 6.845
206 H HIS 25 H HIS 25 -1.310 0.396 3.427
207 HA HIS 25 HA HIS 25 -2.795 -2.003 3.327
208 1HB HIS 25 1HB HIS 25 -4.476 -0.562 3.035
209 2HB HIS 25 2HB HIS 25 -3.335 0.753 2.884
210 HD1 HIS 25 HD1 HIS 25 -5.115 -1.780 0.679
211 HD2 HIS 25 HD2 HIS 25 -3.341 1.975 0.477
212 HE1 HIS 25 HE1 HIS 25 -5.631 -0.869 -1.619
213 H GLU 26 H GLU 26 -0.591 -0.448 1.095
214 HA GLU 26 HA GLU 26 -1.347 -1.970 -1.199
215 1HB GLU 26 1HB GLU 26 -0.036 0.145 -1.314
216 2HB GLU 26 2HB GLU 26 1.321 -0.682 -0.563
217 1HG GLU 26 1HG GLU 26 1.689 -0.551 -2.921
218 2HG GLU 26 2HG GLU 26 1.390 -2.232 -2.480
219 H LEU 27 H LEU 27 0.450 -2.614 1.682
220 HA LEU 27 HA LEU 27 1.586 -5.061 0.495
221 1HB LEU 27 1HB LEU 27 2.269 -3.530 2.998
222 2HB LEU 27 2HB LEU 27 2.892 -5.137 2.678
223 1HD1 LEU 27 1HD1 LEU 27 4.346 -5.561 0.796
224 2HD1 LEU 27 2HD1 LEU 27 5.130 -4.228 -0.054
225 3HD1 LEU 27 3HD1 LEU 27 3.461 -4.656 -0.434
226 1HD2 LEU 27 1HD2 LEU 27 4.120 -1.587 0.886
227 2HD2 LEU 27 2HD2 LEU 27 2.436 -1.894 1.318
228 3HD2 LEU 27 3HD2 LEU 27 3.060 -2.432 -0.242
229 H LEU 28 H LEU 28 0.718 -4.474 3.892
230 HA LEU 28 HA LEU 28 -0.902 -6.926 3.812
231 1HB LEU 28 1HB LEU 28 0.993 -5.804 5.710
232 2HB LEU 28 2HB LEU 28 -0.521 -6.237 6.478
233 HG LEU 28 HG LEU 28 1.142 -8.046 6.591
234 1HD1 LEU 28 1HD1 LEU 28 -1.250 -8.570 6.603
235 2HD1 LEU 28 2HD1 LEU 28 -0.304 -9.844 5.833
236 3HD1 LEU 28 3HD1 LEU 28 -1.224 -8.709 4.846
237 1HD2 LEU 28 1HD2 LEU 28 0.858 -8.216 3.596
238 2HD2 LEU 28 2HD2 LEU 28 1.867 -9.223 4.635
239 3HD2 LEU 28 3HD2 LEU 28 2.247 -7.513 4.426
240 H GLY 29 H GLY 29 -2.528 -6.817 5.872
241 1HA GLY 29 1HA GLY 29 -4.196 -4.432 5.370
242 2HA GLY 29 2HA GLY 29 -4.821 -6.018 5.793
243 H GLU 30 H GLU 30 -4.068 -2.985 6.963
244 HA GLU 30 HA GLU 30 -3.537 -3.876 9.692
245 1HB GLU 30 1HB GLU 30 -3.729 -1.064 8.596
246 2HB GLU 30 2HB GLU 30 -3.168 -1.515 10.200
247 1HG GLU 30 1HG GLU 30 -1.826 -1.932 7.554
248 2HG GLU 30 2HG GLU 30 -1.226 -1.086 8.979
249 H GLU 31 H GLU 31 -5.955 -1.935 7.931
250 HA GLU 31 HA GLU 31 -7.638 -1.484 10.156
251 1HB GLU 31 1HB GLU 31 -8.070 -1.373 7.182
252 2HB GLU 31 2HB GLU 31 -9.399 -1.105 8.303
253 1HG GLU 31 1HG GLU 31 -8.800 1.022 8.398
254 2HG GLU 31 2HG GLU 31 -7.326 0.519 9.223
255 H ARG 32 H ARG 32 -9.654 -2.433 10.693
256 HA ARG 32 HA ARG 32 -9.669 -5.252 10.679
257 1HB ARG 32 1HB ARG 32 -11.607 -3.141 11.537
258 2HB ARG 32 2HB ARG 32 -12.153 -4.809 11.444
259 1HG ARG 32 1HG ARG 32 -11.497 -4.581 13.651
260 2HG ARG 32 2HG ARG 32 -10.099 -5.347 12.894
261 1HD ARG 32 1HD ARG 32 -8.859 -3.366 12.908
262 2HD ARG 32 2HD ARG 32 -10.290 -2.364 13.148
263 HE ARG 32 HE ARG 32 -8.769 -3.759 15.175
264 1HH1 ARG 32 1HH1 ARG 32 -11.785 -2.154 14.399
265 2HH1 ARG 32 2HH1 ARG 32 -12.179 -1.832 16.053
266 1HH2 ARG 32 1HH2 ARG 32 -9.296 -3.335 17.349
267 2HH2 ARG 32 2HH2 ARG 32 -10.766 -2.502 17.729
268 H ARG 33 H ARG 33 -9.989 -6.459 8.938
269 HA ARG 33 HA ARG 33 -10.884 -7.358 7.065
270 1HB ARG 33 1HB ARG 33 -13.277 -5.887 8.139
271 2HB ARG 33 2HB ARG 33 -13.361 -6.784 6.630
272 1HG ARG 33 1HG ARG 33 -12.456 -8.765 7.986
273 2HG ARG 33 2HG ARG 33 -12.904 -7.815 9.404
274 1HD ARG 33 1HD ARG 33 -14.885 -8.257 7.207
275 2HD ARG 33 2HD ARG 33 -14.592 -9.522 8.396
276 HE ARG 33 HE ARG 33 -15.531 -8.173 10.052
277 1HH1 ARG 33 1HH1 ARG 33 -15.483 -6.511 6.965
278 2HH1 ARG 33 2HH1 ARG 33 -16.596 -5.288 7.472
279 1HH2 ARG 33 1HH2 ARG 33 -16.999 -6.560 10.706
280 2HH2 ARG 33 2HH2 ARG 33 -17.458 -5.315 9.594