Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22091 | 2jm0 RC | 15000 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LEU 1 1HT LEU 1 2.243 -0.813 11.265
2 2H LEU 1 2HT LEU 1 0.709 -0.114 11.476
3 3H LEU 1 3HT LEU 1 1.423 -0.152 9.936
4 HA LEU 1 HA LEU 1 0.176 -2.334 11.465
5 1HB LEU 1 2HB LEU 1 -0.902 -0.919 9.571
6 2HB LEU 1 1HB LEU 1 0.152 -1.831 8.491
7 HG LEU 1 HG LEU 1 -0.813 -3.901 9.842
8 1HD1 LEU 1 1HD1 LEU 1 -3.019 -3.601 10.677
9 2HD1 LEU 1 2HD1 LEU 1 -3.161 -2.002 9.947
10 3HD1 LEU 1 3HD1 LEU 1 -2.099 -2.247 11.335
11 1HD2 LEU 1 1HD2 LEU 1 -2.283 -2.364 7.679
12 2HD2 LEU 1 2HD2 LEU 1 -2.654 -4.029 8.129
13 3HD2 LEU 1 3HD2 LEU 1 -1.078 -3.630 7.443
14 H SER 2 H SER 2 0.602 -3.721 8.698
15 HA SER 2 HA SER 2 2.998 -5.183 9.558
16 1HB SER 2 2HB SER 2 0.805 -6.118 8.438
17 2HB SER 2 1HB SER 2 1.607 -5.660 6.939
18 HG SER 2 HG SER 2 3.398 -6.926 7.633
19 H ASP 3 H ASP 3 4.232 -3.009 9.207
20 HA ASP 3 HA ASP 3 4.766 -1.985 6.622
21 1HB ASP 3 2HB ASP 3 6.629 -2.213 9.007
22 2HB ASP 3 1HB ASP 3 6.928 -1.207 7.589
23 H GLU 4 H GLU 4 5.961 -4.857 8.255
24 HA GLU 4 HA GLU 4 8.084 -5.405 6.358
25 1HB GLU 4 2HB GLU 4 7.820 -6.368 8.730
26 2HB GLU 4 1HB GLU 4 6.633 -7.467 8.027
27 1HG GLU 4 2HG GLU 4 8.745 -8.612 7.986
28 2HG GLU 4 1HG GLU 4 8.398 -8.122 6.328
29 H ASP 5 H ASP 5 4.848 -6.859 6.848
30 HA ASP 5 HA ASP 5 4.949 -8.340 4.366
31 1HB ASP 5 2HB ASP 5 3.471 -8.788 6.438
32 2HB ASP 5 1HB ASP 5 2.416 -7.528 5.797
33 H PHE 6 H PHE 6 3.445 -5.271 5.358
34 HA PHE 6 HA PHE 6 2.049 -4.643 3.004
35 1HB PHE 6 2HB PHE 6 1.929 -3.250 5.019
36 2HB PHE 6 1HB PHE 6 3.616 -2.779 4.814
37 HD1 PHE 6 1HD PHE 6 0.183 -2.257 3.699
38 HD2 PHE 6 2HD PHE 6 4.306 -1.394 2.856
39 HE1 PHE 6 1HE PHE 6 -0.511 -0.419 2.186
40 HE2 PHE 6 2HE PHE 6 3.611 0.444 1.342
41 HZ PHE 6 HZ PHE 6 1.203 0.931 1.007
42 H ARG 7 H ARG 7 5.388 -3.592 3.783
43 HA ARG 7 HA ARG 7 6.021 -2.428 1.322
44 1HB ARG 7 2HB ARG 7 7.479 -2.434 3.362
45 2HB ARG 7 1HB ARG 7 7.913 -4.105 3.000
46 1HG ARG 7 2HG ARG 7 8.772 -3.389 0.787
47 2HG ARG 7 1HG ARG 7 8.380 -1.717 1.190
48 1HD ARG 7 2HD ARG 7 9.841 -2.561 3.386
49 2HD ARG 7 1HD ARG 7 10.658 -3.350 2.040
50 HE ARG 7 HE ARG 7 10.950 -0.626 2.649
51 1HH1 ARG 7 1HH2 ARG 7 9.940 -2.595 0.005
52 2HH1 ARG 7 2HH2 ARG 7 10.476 -1.477 -1.204
53 1HH2 ARG 7 1HH1 ARG 7 11.656 0.842 1.088
54 2HH2 ARG 7 2HH1 ARG 7 11.448 0.470 -0.591
55 H ALA 8 H ALA 8 6.044 -5.861 2.192
56 HA ALA 8 HA ALA 8 7.271 -6.772 -0.251
57 1HB ALA 8 1HB ALA 8 7.084 -8.108 1.872
58 2HB ALA 8 2HB ALA 8 6.548 -8.983 0.437
59 3HB ALA 8 3HB ALA 8 5.362 -8.294 1.546
60 H VAL 9 H VAL 9 3.962 -5.972 0.640
61 HA VAL 9 HA VAL 9 2.723 -7.325 -1.589
62 HB VAL 9 HB VAL 9 1.756 -5.045 0.151
63 1HG1 VAL 9 1HG1 VAL 9 0.385 -6.682 -1.992
64 2HG1 VAL 9 2HG1 VAL 9 0.498 -4.926 -1.879
65 3HG1 VAL 9 3HG1 VAL 9 -0.511 -5.818 -0.742
66 1HG2 VAL 9 1HG2 VAL 9 2.228 -7.369 1.145
67 2HG2 VAL 9 2HG2 VAL 9 0.897 -7.945 0.142
68 3HG2 VAL 9 3HG2 VAL 9 0.602 -6.729 1.384
69 1HN PF5 10 H PF5 10 3.518 -3.852 -1.076
70 HA PF5 10 HA PF5 10 3.026 -3.459 -3.989
71 1HB PF5 10 1HB PF5 10 2.784 -1.114 -3.486
72 2HB PF5 10 2HB PF5 10 3.423 -1.349 -1.852
73 H GLY 11 H GLY 11 5.586 -3.810 -1.775
74 1HA GLY 11 2HA GLY 11 7.896 -3.881 -2.311
75 2HA GLY 11 1HA GLY 11 7.512 -3.234 -3.906
76 H MET 12 H MET 12 6.175 -1.546 -1.212
77 HA MET 12 HA MET 12 8.444 0.329 -1.028
78 1HB MET 12 2HB MET 12 6.774 2.256 -1.500
79 2HB MET 12 1HB MET 12 7.410 1.364 -2.884
80 1HG MET 12 2HG MET 12 5.395 -0.049 -2.918
81 2HG MET 12 1HG MET 12 4.757 0.819 -1.520
82 1HE MET 12 1HE MET 12 5.020 2.117 -5.875
83 2HE MET 12 2HE MET 12 5.140 0.507 -5.172
84 3HE MET 12 3HE MET 12 6.479 1.638 -4.999
85 H THR 13 H THR 13 8.185 1.816 0.778
86 HA THR 13 HA THR 13 6.784 0.625 3.010
87 HB THR 13 HB THR 13 7.480 2.820 4.153
88 HG1 THR 13 1HG THR 13 7.599 4.009 2.192
89 1HG2 THR 13 1HG2 THR 13 9.581 1.133 2.764
90 2HG2 THR 13 2HG2 THR 13 8.809 0.760 4.307
91 3HG2 THR 13 3HG2 THR 13 9.866 2.165 4.167
92 H ARG 14 H ARG 14 5.037 1.626 4.230
93 HA ARG 14 HA ARG 14 2.841 2.503 2.688
94 1HB ARG 14 2HB ARG 14 3.425 3.021 5.619
95 2HB ARG 14 1HB ARG 14 1.854 3.246 4.849
96 1HG ARG 14 2HG ARG 14 2.006 0.805 4.118
97 2HG ARG 14 1HG ARG 14 3.380 0.658 5.216
98 1HD ARG 14 2HD ARG 14 1.439 -0.019 6.471
99 2HD ARG 14 1HD ARG 14 1.881 1.581 7.049
100 HE ARG 14 HE ARG 14 0.054 2.057 5.000
101 1HH1 ARG 14 1HH2 ARG 14 0.141 0.165 7.889
102 2HH1 ARG 14 2HH2 ARG 14 -1.553 0.338 8.207
103 1HH2 ARG 14 1HH1 ARG 14 -2.157 2.282 5.403
104 2HH2 ARG 14 2HH1 ARG 14 -2.850 1.535 6.803
105 H SER 15 H SER 15 5.509 4.329 4.061
106 HA SER 15 HA SER 15 4.314 6.929 3.951
107 1HB SER 15 2HB SER 15 6.576 7.793 4.051
108 2HB SER 15 1HB SER 15 6.495 6.367 5.083
109 HG SER 15 HG SER 15 7.362 5.169 3.330
110 H ALA 16 H ALA 16 6.192 5.078 1.556
111 HA ALA 16 HA ALA 16 5.983 7.153 -0.472
112 1HB ALA 16 1HB ALA 16 6.905 4.292 -0.418
113 2HB ALA 16 2HB ALA 16 7.813 5.745 -0.836
114 3HB ALA 16 3HB ALA 16 6.630 5.090 -1.967
115 H PHE 17 H PHE 17 4.279 4.106 0.227
116 HA PHE 17 HA PHE 17 2.592 4.079 -2.061
117 1HB PHE 17 2HB PHE 17 2.877 2.259 -0.270
118 2HB PHE 17 1HB PHE 17 1.721 3.180 0.691
119 HD1 PHE 17 1HD PHE 17 2.161 1.743 -2.745
120 HD2 PHE 17 2HD PHE 17 -0.573 2.820 0.390
121 HE1 PHE 17 1HE PHE 17 0.292 0.741 -4.030
122 HE2 PHE 17 2HE PHE 17 -2.441 1.818 -0.897
123 HZ PHE 17 HZ PHE 17 -2.009 0.779 -3.106
124 H ALA 18 H ALA 18 2.265 5.732 1.063
125 HA ALA 18 HA ALA 18 -0.387 6.699 0.730
126 1HB ALA 18 1HB ALA 18 1.862 8.243 2.041
127 2HB ALA 18 2HB ALA 18 1.085 6.861 2.811
128 3HB ALA 18 3HB ALA 18 0.144 8.302 2.429
129 H ASN 19 H ASN 19 2.499 7.475 -0.948
130 HA ASN 19 HA ASN 19 1.988 10.187 -1.676
131 1HB ASN 19 2HB ASN 19 4.144 8.935 -2.045
132 2HB ASN 19 1HB ASN 19 3.356 8.082 -3.373
133 1HD2 ASN 19 1HD2 ASN 19 4.115 11.421 -2.259
134 2HD2 ASN 19 2HD2 ASN 19 4.227 12.076 -3.821
135 H LEU 20 H LEU 20 0.773 7.137 -2.978
136 HA LEU 20 HA LEU 20 -0.347 8.230 -5.401
137 1HB LEU 20 2HB LEU 20 -1.275 5.810 -3.824
138 2HB LEU 20 1HB LEU 20 -1.599 6.141 -5.527
139 HG LEU 20 HG LEU 20 1.177 5.802 -4.357
140 1HD1 LEU 20 1HD1 LEU 20 0.182 3.660 -4.203
141 2HD1 LEU 20 2HD1 LEU 20 1.028 3.629 -5.750
142 3HD1 LEU 20 3HD1 LEU 20 -0.718 3.877 -5.703
143 1HD2 LEU 20 1HD2 LEU 20 1.406 7.062 -6.328
144 2HD2 LEU 20 2HD2 LEU 20 0.048 6.257 -7.113
145 3HD2 LEU 20 3HD2 LEU 20 1.579 5.406 -6.913
146 HA PRO 21 HA PRO 21 -3.940 10.492 -4.197
147 1HB PRO 21 2HB PRO 21 -5.395 8.527 -5.956
148 2HB PRO 21 1HB PRO 21 -5.555 10.295 -5.879
149 1HG PRO 21 2HG PRO 21 -4.161 9.207 -7.819
150 2HG PRO 21 1HG PRO 21 -3.548 10.652 -6.993
151 1HD PRO 21 2HD PRO 21 -2.630 7.810 -6.736
152 2HD PRO 21 1HD PRO 21 -1.685 9.312 -6.640
153 H LEU 22 H LEU 22 -5.306 10.345 -2.463
154 HA LEU 22 HA LEU 22 -5.405 8.106 -0.774
155 1HB LEU 22 2HB LEU 22 -7.477 10.302 -1.034
156 2HB LEU 22 1HB LEU 22 -7.259 9.252 0.365
157 HG LEU 22 HG LEU 22 -5.177 11.162 -0.736
158 1HD1 LEU 22 1HD1 LEU 22 -6.857 12.463 0.348
159 2HD1 LEU 22 2HD1 LEU 22 -5.583 12.250 1.549
160 3HD1 LEU 22 3HD1 LEU 22 -7.049 11.274 1.635
161 1HD2 LEU 22 1HD2 LEU 22 -4.229 10.527 1.655
162 2HD2 LEU 22 2HD2 LEU 22 -3.913 9.485 0.267
163 3HD2 LEU 22 3HD2 LEU 22 -5.189 9.068 1.411
164 H TRP 23 H TRP 23 -7.883 9.131 -3.150
165 HA TRP 23 HA TRP 23 -9.672 6.965 -2.602
166 1HB TRP 23 2HB TRP 23 -10.800 7.598 -4.626
167 2HB TRP 23 1HB TRP 23 -10.207 9.084 -3.882
168 HD1 TRP 23 HD TRP 23 -8.490 10.497 -5.193
169 HE1 TRP 23 1HE TRP 23 -7.367 10.277 -7.503
170 HE3 TRP 23 3HE TRP 23 -9.877 5.733 -6.396
171 HZ2 TRP 23 2HZ TRP 23 -7.094 8.335 -9.586
172 HZ3 TRP 23 3HZ TRP 23 -9.173 4.723 -8.547
173 HH2 TRP 23 HH TRP 23 -7.785 6.017 -10.142
174 H ARG 24 H ARG 24 -6.936 7.257 -4.841
175 HA ARG 24 HA ARG 24 -7.429 4.798 -6.243
176 1HB ARG 24 2HB ARG 24 -5.911 6.569 -7.084
177 2HB ARG 24 1HB ARG 24 -4.790 6.211 -5.768
178 1HG ARG 24 2HG ARG 24 -4.500 3.929 -6.583
179 2HG ARG 24 1HG ARG 24 -5.700 4.199 -7.848
180 1HD ARG 24 2HD ARG 24 -4.075 4.979 -9.189
181 2HD ARG 24 1HD ARG 24 -3.794 6.297 -8.049
182 HE ARG 24 HE ARG 24 -2.412 4.191 -6.925
183 1HH1 ARG 24 1HH2 ARG 24 -2.575 5.649 -10.044
184 2HH1 ARG 24 2HH2 ARG 24 -0.914 5.333 -10.426
185 1HH2 ARG 24 1HH1 ARG 24 -0.241 3.771 -7.404
186 2HH2 ARG 24 2HH1 ARG 24 0.407 4.271 -8.930
187 H GLN 25 H GLN 25 -5.280 5.530 -3.465
188 HA GLN 25 HA GLN 25 -4.129 3.004 -3.141
189 1HB GLN 25 2HB GLN 25 -5.058 4.939 -1.004
190 2HB GLN 25 1HB GLN 25 -4.027 3.542 -0.693
191 1HG GLN 25 2HG GLN 25 -2.378 4.430 -2.344
192 2HG GLN 25 1HG GLN 25 -3.385 5.865 -2.538
193 1HE2 GLN 25 1HE2 GLN 25 -1.976 3.959 0.192
194 2HE2 GLN 25 2HE2 GLN 25 -1.519 5.320 1.096
195 H GLN 26 H GLN 26 -7.322 4.083 -1.923
196 HA GLN 26 HA GLN 26 -7.997 1.601 -0.661
197 1HB GLN 26 2HB GLN 26 -9.805 3.656 -1.972
198 2HB GLN 26 1HB GLN 26 -10.358 2.348 -0.928
199 1HG GLN 26 2HG GLN 26 -9.005 3.232 0.926
200 2HG GLN 26 1HG GLN 26 -8.416 4.530 -0.114
201 1HE2 GLN 26 1HE2 GLN 26 -9.843 5.159 2.264
202 2HE2 GLN 26 2HE2 GLN 26 -11.350 5.817 1.842
203 H ASN 27 H ASN 27 -8.238 2.757 -3.981
204 HA ASN 27 HA ASN 27 -9.770 0.569 -5.031
205 1HB ASN 27 2HB ASN 27 -9.229 2.817 -6.151
206 2HB ASN 27 1HB ASN 27 -7.662 2.116 -6.554
207 1HD2 ASN 27 1HD2 ASN 27 -8.547 2.431 -8.870
208 2HD2 ASN 27 2HD2 ASN 27 -9.503 1.184 -9.515
209 H LEU 28 H LEU 28 -6.237 1.167 -5.028
210 HA LEU 28 HA LEU 28 -5.593 -1.442 -6.088
211 1HB LEU 28 2HB LEU 28 -3.819 0.400 -4.459
212 2HB LEU 28 1HB LEU 28 -3.293 -0.878 -5.553
213 HG LEU 28 HG LEU 28 -4.762 1.661 -6.317
214 1HD1 LEU 28 1HD1 LEU 28 -1.960 0.615 -6.820
215 2HD1 LEU 28 2HD1 LEU 28 -2.411 2.057 -5.910
216 3HD1 LEU 28 3HD1 LEU 28 -2.649 2.006 -7.657
217 1HD2 LEU 28 1HD2 LEU 28 -4.100 -0.861 -7.828
218 2HD2 LEU 28 2HD2 LEU 28 -4.184 0.683 -8.677
219 3HD2 LEU 28 3HD2 LEU 28 -5.601 0.065 -7.827
220 H ARG 29 H ARG 29 -6.034 -0.172 -2.825
221 HA ARG 29 HA ARG 29 -4.854 -2.502 -1.544
222 1HB ARG 29 2HB ARG 29 -6.507 -0.184 -0.539
223 2HB ARG 29 1HB ARG 29 -6.006 -1.506 0.517
224 1HG ARG 29 2HG ARG 29 -3.645 -1.090 -0.067
225 2HG ARG 29 1HG ARG 29 -4.139 0.228 -1.129
226 1HD ARG 29 2HD ARG 29 -4.659 0.110 1.857
227 2HD ARG 29 1HD ARG 29 -3.399 1.067 1.083
228 HE ARG 29 HE ARG 29 -5.726 1.872 -0.192
229 1HH1 ARG 29 1HH2 ARG 29 -4.624 1.593 3.065
230 2HH1 ARG 29 2HH2 ARG 29 -5.583 2.916 3.640
231 1HH2 ARG 29 1HH1 ARG 29 -6.979 3.596 0.540
232 2HH2 ARG 29 2HH1 ARG 29 -6.917 4.050 2.210
233 H ARG 30 H ARG 30 -8.237 -1.409 -2.061
234 HA ARG 30 HA ARG 30 -9.404 -3.708 -0.798
235 1HB ARG 30 2HB ARG 30 -10.435 -1.764 -2.871
236 2HB ARG 30 1HB ARG 30 -11.422 -3.098 -2.271
237 1HG ARG 30 2HG ARG 30 -11.120 -2.279 0.041
238 2HG ARG 30 1HG ARG 30 -10.141 -0.943 -0.564
239 1HD ARG 30 2HD ARG 30 -13.042 -1.465 -1.274
240 2HD ARG 30 1HD ARG 30 -12.461 -0.211 -0.180
241 HE ARG 30 HE ARG 30 -11.084 0.276 -2.536
242 1HH1 ARG 30 1HH2 ARG 30 -14.379 -0.155 -1.611
243 2HH1 ARG 30 2HH2 ARG 30 -14.998 0.897 -2.840
244 1HH2 ARG 30 1HH1 ARG 30 -11.873 1.649 -4.142
245 2HH2 ARG 30 2HH1 ARG 30 -13.579 1.919 -4.273
246 H GLU 31 H GLU 31 -8.484 -3.034 -4.170
247 HA GLU 31 HA GLU 31 -9.450 -5.484 -5.289
248 1HB GLU 31 2HB GLU 31 -8.616 -3.456 -6.572
249 2HB GLU 31 1HB GLU 31 -6.976 -3.965 -6.170
250 1HG GLU 31 2HG GLU 31 -7.419 -6.159 -7.256
251 2HG GLU 31 1HG GLU 31 -9.023 -5.584 -7.713
252 H ARG 32 H ARG 32 -6.793 -4.779 -3.210
253 HA ARG 32 HA ARG 32 -5.332 -7.240 -3.921
254 1HB ARG 32 2HB ARG 32 -4.292 -4.961 -3.234
255 2HB ARG 32 1HB ARG 32 -4.689 -5.453 -1.586
256 1HG ARG 32 2HG ARG 32 -2.575 -6.369 -1.754
257 2HG ARG 32 1HG ARG 32 -3.528 -7.719 -2.371
258 1HD ARG 32 2HD ARG 32 -3.199 -6.759 -4.694
259 2HD ARG 32 1HD ARG 32 -2.049 -5.627 -3.986
260 HE ARG 32 HE ARG 32 -1.159 -8.110 -3.127
261 1HH1 ARG 32 1HH2 ARG 32 -1.969 -6.643 -6.139
262 2HH1 ARG 32 2HH2 ARG 32 -0.822 -7.567 -7.050
263 1HH2 ARG 32 1HH1 ARG 32 0.344 -9.324 -4.297
264 2HH2 ARG 32 2HH1 ARG 32 0.488 -9.085 -6.006
265 H GLY 33 H GLY 33 -7.942 -6.482 -1.927
266 1HA GLY 33 2HA GLY 33 -9.072 -8.149 -0.594
267 2HA GLY 33 1HA GLY 33 -7.548 -9.025 -0.451
268 H LEU 34 H LEU 34 -6.863 -5.815 0.064
269 HA LEU 34 HA LEU 34 -7.065 -6.205 3.022
270 1HB LEU 34 2HB LEU 34 -5.230 -4.291 1.561
271 2HB LEU 34 1HB LEU 34 -5.144 -4.783 3.252
272 HG LEU 34 HG LEU 34 -4.760 -6.624 0.872
273 1HD1 LEU 34 1HD1 LEU 34 -2.754 -5.570 2.891
274 2HD1 LEU 34 2HD1 LEU 34 -2.903 -4.997 1.229
275 3HD1 LEU 34 3HD1 LEU 34 -2.409 -6.660 1.549
276 1HD2 LEU 34 1HD2 LEU 34 -4.782 -7.019 3.863
277 2HD2 LEU 34 2HD2 LEU 34 -3.858 -8.100 2.819
278 3HD2 LEU 34 3HD2 LEU 34 -5.606 -7.963 2.622
279 H PHE 35 H PHE 35 -7.501 -4.212 4.289
280 HA PHE 35 HA PHE 35 -8.909 -2.387 4.744
281 1HB PHE 35 2HB PHE 35 -7.796 -1.658 2.024
282 2HB PHE 35 1HB PHE 35 -8.795 -0.561 2.978
283 HD1 PHE 35 1HD PHE 35 -5.560 -2.337 2.809
284 HD2 PHE 35 2HD PHE 35 -7.961 0.458 5.017
285 HE1 PHE 35 1HE PHE 35 -3.569 -1.670 4.130
286 HE2 PHE 35 2HE PHE 35 -5.972 1.124 6.339
287 HZ PHE 35 HZ PHE 35 -3.776 0.060 5.896
Start of MODEL 2
1 1H LEU 1 1HT LEU 1 -0.316 -0.567 9.725
2 2H LEU 1 2HT LEU 1 1.095 -1.446 10.072
3 3H LEU 1 3HT LEU 1 0.133 -0.845 11.337
4 HA LEU 1 HA LEU 1 -1.073 -2.683 11.364
5 1HB LEU 1 2HB LEU 1 -2.337 -1.473 9.520
6 2HB LEU 1 1HB LEU 1 -1.407 -2.428 8.366
7 HG LEU 1 HG LEU 1 -2.214 -4.458 9.834
8 1HD1 LEU 1 1HD1 LEU 1 -3.256 -3.149 11.604
9 2HD1 LEU 1 2HD1 LEU 1 -4.512 -4.026 10.729
10 3HD1 LEU 1 3HD1 LEU 1 -4.266 -2.305 10.429
11 1HD2 LEU 1 1HD2 LEU 1 -4.203 -4.662 8.381
12 2HD2 LEU 1 2HD2 LEU 1 -2.814 -4.070 7.468
13 3HD2 LEU 1 3HD2 LEU 1 -4.080 -2.950 7.972
14 H SER 2 H SER 2 0.608 -2.902 8.203
15 HA SER 2 HA SER 2 2.149 -5.205 9.244
16 1HB SER 2 2HB SER 2 0.694 -5.497 6.622
17 2HB SER 2 1HB SER 2 1.413 -6.752 7.627
18 HG SER 2 HG SER 2 -0.628 -6.915 8.222
19 H ASP 3 H ASP 3 3.657 -3.229 8.930
20 HA ASP 3 HA ASP 3 4.332 -2.279 6.333
21 1HB ASP 3 2HB ASP 3 6.440 -1.558 7.327
22 2HB ASP 3 1HB ASP 3 5.137 -1.269 8.480
23 H GLU 4 H GLU 4 5.301 -5.169 8.110
24 HA GLU 4 HA GLU 4 7.380 -5.990 6.294
25 1HB GLU 4 2HB GLU 4 6.930 -6.900 8.643
26 2HB GLU 4 1HB GLU 4 5.622 -7.838 7.922
27 1HG GLU 4 2HG GLU 4 7.259 -8.829 6.322
28 2HG GLU 4 1HG GLU 4 8.552 -7.962 7.153
29 H ASP 5 H ASP 5 3.932 -6.881 6.568
30 HA ASP 5 HA ASP 5 3.993 -8.459 4.121
31 1HB ASP 5 2HB ASP 5 2.355 -8.689 6.107
32 2HB ASP 5 1HB ASP 5 1.513 -7.306 5.406
33 H PHE 6 H PHE 6 2.550 -5.304 4.997
34 HA PHE 6 HA PHE 6 1.579 -4.560 2.473
35 1HB PHE 6 2HB PHE 6 1.195 -3.228 4.507
36 2HB PHE 6 1HB PHE 6 2.903 -2.787 4.549
37 HD1 PHE 6 1HD PHE 6 -0.339 -2.097 3.075
38 HD2 PHE 6 2HD PHE 6 3.885 -1.444 2.651
39 HE1 PHE 6 1HE PHE 6 -0.785 -0.210 1.527
40 HE2 PHE 6 2HE PHE 6 3.439 0.443 1.104
41 HZ PHE 6 HZ PHE 6 1.103 1.059 0.542
42 H ARG 7 H ARG 7 4.775 -3.633 3.808
43 HA ARG 7 HA ARG 7 5.830 -2.440 1.507
44 1HB ARG 7 2HB ARG 7 6.938 -2.508 3.750
45 2HB ARG 7 1HB ARG 7 7.372 -4.191 3.447
46 1HG ARG 7 2HG ARG 7 8.604 -3.490 1.411
47 2HG ARG 7 1HG ARG 7 8.207 -1.809 1.765
48 1HD ARG 7 2HD ARG 7 9.776 -3.655 3.587
49 2HD ARG 7 1HD ARG 7 10.472 -2.393 2.575
50 HE ARG 7 HE ARG 7 8.574 -1.061 4.101
51 1HH1 ARG 7 1HH2 ARG 7 11.250 -3.151 4.697
52 2HH1 ARG 7 2HH2 ARG 7 11.627 -2.446 6.233
53 1HH2 ARG 7 1HH1 ARG 7 9.052 -0.129 6.099
54 2HH2 ARG 7 2HH1 ARG 7 10.383 -0.735 7.028
55 H ALA 8 H ALA 8 5.632 -5.887 2.299
56 HA ALA 8 HA ALA 8 7.218 -6.790 0.068
57 1HB ALA 8 1HB ALA 8 6.645 -8.150 2.111
58 2HB ALA 8 2HB ALA 8 6.353 -8.990 0.588
59 3HB ALA 8 3HB ALA 8 5.003 -8.295 1.488
60 H VAL 9 H VAL 9 3.839 -5.888 0.417
61 HA VAL 9 HA VAL 9 2.905 -7.190 -1.973
62 HB VAL 9 HB VAL 9 1.820 -4.820 -0.432
63 1HG1 VAL 9 1HG1 VAL 9 0.710 -6.384 -2.773
64 2HG1 VAL 9 2HG1 VAL 9 0.933 -4.639 -2.647
65 3HG1 VAL 9 3HG1 VAL 9 -0.314 -5.440 -1.691
66 1HG2 VAL 9 1HG2 VAL 9 0.370 -6.402 0.599
67 2HG2 VAL 9 2HG2 VAL 9 1.958 -7.171 0.616
68 3HG2 VAL 9 3HG2 VAL 9 0.759 -7.649 -0.587
69 1HN PF5 10 H PF5 10 3.885 -3.779 -1.384
70 HA PF5 10 HA PF5 10 3.862 -3.411 -4.341
71 1HB PF5 10 1HB PF5 10 3.747 -1.040 -3.900
72 2HB PF5 10 2HB PF5 10 4.100 -1.295 -2.186
73 H GLY 11 H GLY 11 6.007 -3.564 -1.606
74 1HA GLY 11 2HA GLY 11 8.368 -3.977 -1.870
75 2HA GLY 11 1HA GLY 11 8.282 -3.275 -3.485
76 H MET 12 H MET 12 6.595 -1.423 -1.195
77 HA MET 12 HA MET 12 8.967 0.228 -0.528
78 1HB MET 12 2HB MET 12 7.610 2.288 -1.227
79 2HB MET 12 1HB MET 12 8.271 1.309 -2.538
80 1HG MET 12 2HG MET 12 5.527 0.686 -1.494
81 2HG MET 12 1HG MET 12 5.740 2.046 -2.597
82 1HE MET 12 1HE MET 12 5.616 1.625 -5.279
83 2HE MET 12 2HE MET 12 7.032 0.714 -5.794
84 3HE MET 12 3HE MET 12 7.196 1.959 -4.559
85 H THR 13 H THR 13 8.365 1.934 1.111
86 HA THR 13 HA THR 13 6.662 0.747 3.156
87 HB THR 13 HB THR 13 7.222 2.945 4.363
88 HG1 THR 13 1HG THR 13 7.758 3.804 2.094
89 1HG2 THR 13 1HG2 THR 13 9.502 2.222 4.830
90 2HG2 THR 13 2HG2 THR 13 9.536 1.278 3.340
91 3HG2 THR 13 3HG2 THR 13 8.466 0.805 4.660
92 H ARG 14 H ARG 14 4.788 1.835 4.105
93 HA ARG 14 HA ARG 14 2.852 2.700 2.243
94 1HB ARG 14 2HB ARG 14 3.046 3.284 5.212
95 2HB ARG 14 1HB ARG 14 1.607 3.565 4.232
96 1HG ARG 14 2HG ARG 14 1.628 1.138 3.601
97 2HG ARG 14 1HG ARG 14 2.961 0.898 4.731
98 1HD ARG 14 2HD ARG 14 0.206 1.944 5.460
99 2HD ARG 14 1HD ARG 14 0.817 0.332 5.806
100 HE ARG 14 HE ARG 14 2.697 2.034 6.945
101 1HH1 ARG 14 1HH2 ARG 14 -0.733 1.652 7.103
102 2HH1 ARG 14 2HH2 ARG 14 -0.843 2.162 8.755
103 1HH2 ARG 14 1HH1 ARG 14 2.563 2.707 9.096
104 2HH2 ARG 14 2HH1 ARG 14 1.020 2.757 9.881
105 H SER 15 H SER 15 5.362 4.515 3.892
106 HA SER 15 HA SER 15 4.312 7.136 3.660
107 1HB SER 15 2HB SER 15 7.208 6.328 3.265
108 2HB SER 15 1HB SER 15 6.615 7.916 3.744
109 HG SER 15 HG SER 15 6.049 5.557 5.204
110 H ALA 16 H ALA 16 6.181 5.214 1.310
111 HA ALA 16 HA ALA 16 6.045 7.282 -0.734
112 1HB ALA 16 1HB ALA 16 7.877 5.811 -0.974
113 2HB ALA 16 2HB ALA 16 6.749 5.272 -2.218
114 3HB ALA 16 3HB ALA 16 6.878 4.384 -0.700
115 H PHE 17 H PHE 17 4.365 4.183 -0.161
116 HA PHE 17 HA PHE 17 2.695 4.226 -2.450
117 1HB PHE 17 2HB PHE 17 2.973 2.364 -0.689
118 2HB PHE 17 1HB PHE 17 1.772 3.246 0.256
119 HD1 PHE 17 1HD PHE 17 2.363 1.774 -3.133
120 HD2 PHE 17 2HD PHE 17 -0.524 2.977 -0.188
121 HE1 PHE 17 1HE PHE 17 0.551 0.773 -4.499
122 HE2 PHE 17 2HE PHE 17 -2.335 1.977 -1.554
123 HZ PHE 17 HZ PHE 17 -1.797 0.874 -3.710
124 H ALA 18 H ALA 18 2.382 5.861 0.670
125 HA ALA 18 HA ALA 18 -0.291 6.768 0.437
126 1HB ALA 18 1HB ALA 18 0.492 8.693 1.876
127 2HB ALA 18 2HB ALA 18 2.136 8.085 1.688
128 3HB ALA 18 3HB ALA 18 0.920 7.103 2.504
129 H ASN 19 H ASN 19 2.501 7.594 -1.388
130 HA ASN 19 HA ASN 19 1.924 10.253 -2.177
131 1HB ASN 19 2HB ASN 19 4.009 8.889 -2.707
132 2HB ASN 19 1HB ASN 19 3.076 8.126 -3.994
133 1HD2 ASN 19 1HD2 ASN 19 3.786 9.089 -5.914
134 2HD2 ASN 19 2HD2 ASN 19 3.928 10.764 -6.157
135 H LEU 20 H LEU 20 0.643 7.174 -3.390
136 HA LEU 20 HA LEU 20 -0.731 8.229 -5.673
137 1HB LEU 20 2HB LEU 20 -1.539 5.867 -3.949
138 2HB LEU 20 1HB LEU 20 -2.015 6.158 -5.622
139 HG LEU 20 HG LEU 20 0.831 5.736 -4.665
140 1HD1 LEU 20 1HD1 LEU 20 -1.209 3.943 -5.982
141 2HD1 LEU 20 2HD1 LEU 20 -0.243 3.626 -4.540
142 3HD1 LEU 20 3HD1 LEU 20 0.521 3.633 -6.130
143 1HD2 LEU 20 1HD2 LEU 20 -0.432 6.388 -7.314
144 2HD2 LEU 20 2HD2 LEU 20 1.040 5.419 -7.271
145 3HD2 LEU 20 3HD2 LEU 20 1.036 7.046 -6.591
146 HA PRO 21 HA PRO 21 -4.167 10.590 -4.222
147 1HB PRO 21 2HB PRO 21 -5.803 8.533 -5.695
148 2HB PRO 21 1HB PRO 21 -5.972 10.302 -5.686
149 1HG PRO 21 2HG PRO 21 -4.790 9.115 -7.715
150 2HG PRO 21 1HG PRO 21 -4.118 10.615 -7.045
151 1HD PRO 21 2HD PRO 21 -3.104 7.815 -6.765
152 2HD PRO 21 1HD PRO 21 -2.198 9.343 -6.803
153 H LEU 22 H LEU 22 -5.509 10.556 -2.432
154 HA LEU 22 HA LEU 22 -5.318 8.463 -0.545
155 1HB LEU 22 2HB LEU 22 -5.948 10.832 -0.050
156 2HB LEU 22 1HB LEU 22 -7.540 10.516 -0.740
157 HG LEU 22 HG LEU 22 -7.776 8.620 0.923
158 1HD1 LEU 22 1HD1 LEU 22 -5.618 8.096 1.646
159 2HD1 LEU 22 2HD1 LEU 22 -6.207 9.082 2.984
160 3HD1 LEU 22 3HD1 LEU 22 -5.141 9.790 1.770
161 1HD2 LEU 22 1HD2 LEU 22 -7.422 11.473 1.881
162 2HD2 LEU 22 2HD2 LEU 22 -8.136 10.205 2.878
163 3HD2 LEU 22 3HD2 LEU 22 -8.918 10.690 1.373
164 H TRP 23 H TRP 23 -7.857 9.084 -2.957
165 HA TRP 23 HA TRP 23 -9.549 6.935 -1.945
166 1HB TRP 23 2HB TRP 23 -10.976 7.428 -3.836
167 2HB TRP 23 1HB TRP 23 -10.418 8.956 -3.156
168 HD1 TRP 23 HD TRP 23 -9.004 10.509 -4.655
169 HE1 TRP 23 1HE TRP 23 -8.157 10.380 -7.087
170 HE3 TRP 23 3HE TRP 23 -10.117 5.641 -5.721
171 HZ2 TRP 23 2HZ TRP 23 -7.976 8.465 -9.204
172 HZ3 TRP 23 3HZ TRP 23 -9.599 4.691 -7.949
173 HH2 TRP 23 HH TRP 23 -8.530 6.095 -9.691
174 H ARG 24 H ARG 24 -7.049 7.227 -4.400
175 HA ARG 24 HA ARG 24 -7.700 4.784 -5.796
176 1HB ARG 24 2HB ARG 24 -6.299 6.600 -6.769
177 2HB ARG 24 1HB ARG 24 -5.027 6.200 -5.613
178 1HG ARG 24 2HG ARG 24 -4.863 3.937 -6.519
179 2HG ARG 24 1HG ARG 24 -6.201 4.256 -7.623
180 1HD ARG 24 2HD ARG 24 -4.696 4.996 -9.123
181 2HD ARG 24 1HD ARG 24 -4.371 6.354 -8.040
182 HE ARG 24 HE ARG 24 -2.804 4.341 -6.998
183 1HH1 ARG 24 1HH2 ARG 24 -3.311 5.690 -10.129
184 2HH1 ARG 24 2HH2 ARG 24 -1.682 5.427 -10.654
185 1HH2 ARG 24 1HH1 ARG 24 -0.671 3.992 -7.664
186 2HH2 ARG 24 2HH1 ARG 24 -0.186 4.466 -9.258
187 H GLN 25 H GLN 25 -5.268 5.525 -3.266
188 HA GLN 25 HA GLN 25 -4.022 3.035 -3.110
189 1HB GLN 25 2HB GLN 25 -3.810 3.536 -0.606
190 2HB GLN 25 1HB GLN 25 -3.186 4.761 -1.711
191 1HG GLN 25 2HG GLN 25 -5.279 6.042 -1.501
192 2HG GLN 25 1HG GLN 25 -5.933 4.811 -0.420
193 1HE2 GLN 25 1HE2 GLN 25 -3.429 7.329 -0.689
194 2HE2 GLN 25 2HE2 GLN 25 -3.133 7.450 0.978
195 H GLN 26 H GLN 26 -7.132 3.972 -1.607
196 HA GLN 26 HA GLN 26 -7.572 1.430 -0.330
197 1HB GLN 26 2HB GLN 26 -9.546 3.508 -1.326
198 2HB GLN 26 1HB GLN 26 -9.984 2.116 -0.335
199 1HG GLN 26 2HG GLN 26 -8.449 2.891 1.437
200 2HG GLN 26 1HG GLN 26 -8.018 4.288 0.449
201 1HE2 GLN 26 1HE2 GLN 26 -9.178 4.722 2.987
202 2HE2 GLN 26 2HE2 GLN 26 -10.752 5.328 2.789
203 H ASN 27 H ASN 27 -8.218 2.691 -3.554
204 HA ASN 27 HA ASN 27 -9.828 0.518 -4.505
205 1HB ASN 27 2HB ASN 27 -9.450 2.795 -5.611
206 2HB ASN 27 1HB ASN 27 -7.909 2.154 -6.181
207 1HD2 ASN 27 1HD2 ASN 27 -8.891 2.424 -8.415
208 2HD2 ASN 27 2HD2 ASN 27 -9.922 1.208 -9.000
209 H LEU 28 H LEU 28 -6.324 1.158 -4.907
210 HA LEU 28 HA LEU 28 -5.779 -1.406 -6.107
211 1HB LEU 28 2HB LEU 28 -3.868 0.419 -4.619
212 2HB LEU 28 1HB LEU 28 -3.431 -0.843 -5.769
213 HG LEU 28 HG LEU 28 -5.041 1.651 -6.393
214 1HD1 LEU 28 1HD1 LEU 28 -2.646 2.091 -6.064
215 2HD1 LEU 28 2HD1 LEU 28 -3.057 2.219 -7.775
216 3HD1 LEU 28 3HD1 LEU 28 -2.240 0.778 -7.170
217 1HD2 LEU 28 1HD2 LEU 28 -5.871 0.042 -7.885
218 2HD2 LEU 28 2HD2 LEU 28 -4.334 -0.819 -7.962
219 3HD2 LEU 28 3HD2 LEU 28 -4.522 0.723 -8.793
220 H ARG 29 H ARG 29 -5.814 -0.245 -2.765
221 HA ARG 29 HA ARG 29 -4.514 -2.623 -1.717
222 1HB ARG 29 2HB ARG 29 -6.038 -0.351 -0.440
223 2HB ARG 29 1HB ARG 29 -5.411 -1.705 0.500
224 1HG ARG 29 2HG ARG 29 -3.140 -1.248 -0.307
225 2HG ARG 29 1HG ARG 29 -3.746 0.069 -1.312
226 1HD ARG 29 2HD ARG 29 -3.896 -0.064 1.715
227 2HD ARG 29 1HD ARG 29 -2.803 0.953 0.778
228 HE ARG 29 HE ARG 29 -5.320 1.644 -0.156
229 1HH1 ARG 29 1HH2 ARG 29 -3.763 1.423 2.915
230 2HH1 ARG 29 2HH2 ARG 29 -4.692 2.700 3.625
231 1HH2 ARG 29 1HH1 ARG 29 -6.540 3.309 0.753
232 2HH2 ARG 29 2HH1 ARG 29 -6.266 3.767 2.399
233 H ARG 30 H ARG 30 -7.923 -1.562 -1.971
234 HA ARG 30 HA ARG 30 -8.954 -3.863 -0.567
235 1HB ARG 30 2HB ARG 30 -10.185 -1.876 -2.482
236 2HB ARG 30 1HB ARG 30 -11.110 -3.237 -1.845
237 1HG ARG 30 2HG ARG 30 -10.645 -2.501 0.453
238 2HG ARG 30 1HG ARG 30 -9.672 -1.165 -0.161
239 1HD ARG 30 2HD ARG 30 -12.621 -1.577 -0.737
240 2HD ARG 30 1HD ARG 30 -11.967 -0.430 0.430
241 HE ARG 30 HE ARG 30 -10.680 0.230 -1.932
242 1HH1 ARG 30 1HH2 ARG 30 -13.943 -0.229 -0.914
243 2HH1 ARG 30 2HH2 ARG 30 -14.591 0.930 -2.026
244 1HH2 ARG 30 1HH1 ARG 30 -11.507 1.742 -3.387
245 2HH2 ARG 30 2HH1 ARG 30 -13.211 2.046 -3.427
246 H GLU 31 H GLU 31 -8.150 -3.208 -3.943
247 HA GLU 31 HA GLU 31 -9.374 -5.511 -5.108
248 1HB GLU 31 2HB GLU 31 -6.970 -3.838 -5.858
249 2HB GLU 31 1HB GLU 31 -7.450 -5.236 -6.821
250 1HG GLU 31 2HG GLU 31 -9.341 -2.978 -6.114
251 2HG GLU 31 1HG GLU 31 -8.408 -3.031 -7.611
252 H ARG 32 H ARG 32 -6.567 -5.123 -3.112
253 HA ARG 32 HA ARG 32 -5.664 -7.889 -3.760
254 1HB ARG 32 2HB ARG 32 -4.267 -5.667 -2.242
255 2HB ARG 32 1HB ARG 32 -3.579 -7.254 -2.592
256 1HG ARG 32 2HG ARG 32 -4.133 -6.697 -5.071
257 2HG ARG 32 1HG ARG 32 -4.253 -5.030 -4.508
258 1HD ARG 32 2HD ARG 32 -1.989 -5.275 -5.185
259 2HD ARG 32 1HD ARG 32 -1.949 -5.408 -3.428
260 HE ARG 32 HE ARG 32 -2.219 -8.026 -4.238
261 1HH1 ARG 32 1HH2 ARG 32 -0.147 -5.401 -5.074
262 2HH1 ARG 32 2HH2 ARG 32 1.208 -6.413 -5.445
263 1HH2 ARG 32 1HH1 ARG 32 -0.462 -9.364 -4.717
264 2HH2 ARG 32 2HH1 ARG 32 1.030 -8.658 -5.243
265 H GLY 33 H GLY 33 -7.662 -6.393 -1.571
266 1HA GLY 33 2HA GLY 33 -8.628 -7.257 0.401
267 2HA GLY 33 1HA GLY 33 -7.636 -8.701 0.186
268 H LEU 34 H LEU 34 -6.994 -5.231 0.866
269 HA LEU 34 HA LEU 34 -5.372 -6.138 3.205
270 1HB LEU 34 2HB LEU 34 -4.580 -3.991 1.213
271 2HB LEU 34 1HB LEU 34 -3.681 -4.424 2.668
272 HG LEU 34 HG LEU 34 -4.334 -6.407 0.475
273 1HD1 LEU 34 1HD1 LEU 34 -1.913 -4.640 0.894
274 2HD1 LEU 34 2HD1 LEU 34 -2.912 -4.778 -0.552
275 3HD1 LEU 34 3HD1 LEU 34 -1.860 -6.111 -0.078
276 1HD2 LEU 34 1HD2 LEU 34 -2.249 -7.475 1.643
277 2HD2 LEU 34 2HD2 LEU 34 -3.822 -7.606 2.431
278 3HD2 LEU 34 3HD2 LEU 34 -2.658 -6.399 2.978
279 H PHE 35 H PHE 35 -7.495 -3.796 1.744
280 HA PHE 35 HA PHE 35 -8.116 -2.706 4.399
281 1HB PHE 35 2HB PHE 35 -6.811 -1.048 2.232
282 2HB PHE 35 1HB PHE 35 -7.755 -0.325 3.534
283 HD1 PHE 35 1HD PHE 35 -4.655 -2.089 2.659
284 HD2 PHE 35 2HD PHE 35 -6.999 -0.462 5.871
285 HE1 PHE 35 1HE PHE 35 -2.693 -2.243 4.169
286 HE2 PHE 35 2HE PHE 35 -5.038 -0.616 7.381
287 HZ PHE 35 HZ PHE 35 -2.885 -1.506 6.530
Start of MODEL 3
1 1H LEU 1 1HT LEU 1 1.345 -1.111 10.733
2 2H LEU 1 2HT LEU 1 -0.060 -0.918 11.669
3 3H LEU 1 3HT LEU 1 -0.013 -0.340 10.072
4 HA LEU 1 HA LEU 1 -0.745 -2.903 11.012
5 1HB LEU 1 2HB LEU 1 -0.700 -1.438 8.372
6 2HB LEU 1 1HB LEU 1 -1.254 -3.109 8.486
7 HG LEU 1 HG LEU 1 -2.872 -2.393 10.262
8 1HD1 LEU 1 1HD1 LEU 1 -3.315 0.158 10.217
9 2HD1 LEU 1 2HD1 LEU 1 -1.690 0.290 9.547
10 3HD1 LEU 1 3HD1 LEU 1 -1.930 -0.413 11.146
11 1HD2 LEU 1 1HD2 LEU 1 -2.985 -1.132 7.513
12 2HD2 LEU 1 2HD2 LEU 1 -4.342 -1.061 8.638
13 3HD2 LEU 1 3HD2 LEU 1 -3.760 -2.621 8.055
14 H SER 2 H SER 2 -0.206 -4.519 8.789
15 HA SER 2 HA SER 2 2.351 -5.595 9.458
16 1HB SER 2 2HB SER 2 1.023 -6.041 6.789
17 2HB SER 2 1HB SER 2 1.978 -7.172 7.743
18 HG SER 2 HG SER 2 0.227 -7.710 8.761
19 H ASP 3 H ASP 3 3.535 -3.439 9.291
20 HA ASP 3 HA ASP 3 4.031 -2.193 6.771
21 1HB ASP 3 2HB ASP 3 5.816 -2.390 9.217
22 2HB ASP 3 1HB ASP 3 6.075 -1.286 7.865
23 H GLU 4 H GLU 4 5.452 -5.001 8.355
24 HA GLU 4 HA GLU 4 7.662 -5.303 6.518
25 1HB GLU 4 2HB GLU 4 7.415 -6.409 8.807
26 2HB GLU 4 1HB GLU 4 6.286 -7.527 8.042
27 1HG GLU 4 2HG GLU 4 8.052 -8.122 6.385
28 2HG GLU 4 1HG GLU 4 9.181 -7.084 7.258
29 H ASP 5 H ASP 5 4.488 -6.937 6.756
30 HA ASP 5 HA ASP 5 4.801 -8.350 4.259
31 1HB ASP 5 2HB ASP 5 3.175 -8.860 6.205
32 2HB ASP 5 1HB ASP 5 2.147 -7.614 5.497
33 H PHE 6 H PHE 6 3.226 -5.303 5.184
34 HA PHE 6 HA PHE 6 1.963 -4.652 2.762
35 1HB PHE 6 2HB PHE 6 1.747 -3.282 4.793
36 2HB PHE 6 1HB PHE 6 3.436 -2.796 4.657
37 HD1 PHE 6 1HD PHE 6 0.046 -2.336 3.363
38 HD2 PHE 6 2HD PHE 6 4.189 -1.356 2.782
39 HE1 PHE 6 1HE PHE 6 -0.603 -0.497 1.833
40 HE2 PHE 6 2HE PHE 6 3.538 0.483 1.251
41 HZ PHE 6 HZ PHE 6 1.142 0.914 0.777
42 H ARG 7 H ARG 7 5.250 -3.601 3.735
43 HA ARG 7 HA ARG 7 6.023 -2.430 1.316
44 1HB ARG 7 2HB ARG 7 7.391 -2.361 3.369
45 2HB ARG 7 1HB ARG 7 7.761 -4.075 3.182
46 1HG ARG 7 2HG ARG 7 8.936 -3.673 1.117
47 2HG ARG 7 1HG ARG 7 8.392 -1.996 1.074
48 1HD ARG 7 2HD ARG 7 10.665 -1.998 1.886
49 2HD ARG 7 1HD ARG 7 9.613 -1.630 3.250
50 HE ARG 7 HE ARG 7 9.901 -4.390 3.344
51 1HH1 ARG 7 1HH2 ARG 7 11.994 -1.654 3.220
52 2HH1 ARG 7 2HH2 ARG 7 13.264 -2.421 4.113
53 1HH2 ARG 7 1HH1 ARG 7 11.545 -5.405 4.509
54 2HH2 ARG 7 2HH1 ARG 7 13.010 -4.544 4.844
55 H ALA 8 H ALA 8 5.994 -5.863 2.179
56 HA ALA 8 HA ALA 8 7.369 -6.769 -0.188
57 1HB ALA 8 1HB ALA 8 6.485 -8.987 0.424
58 2HB ALA 8 2HB ALA 8 5.397 -8.237 1.592
59 3HB ALA 8 3HB ALA 8 7.142 -8.163 1.838
60 H VAL 9 H VAL 9 4.019 -5.954 0.497
61 HA VAL 9 HA VAL 9 2.927 -7.308 -1.816
62 HB VAL 9 HB VAL 9 1.826 -5.076 -0.093
63 1HG1 VAL 9 1HG1 VAL 9 0.618 -6.670 -2.362
64 2HG1 VAL 9 2HG1 VAL 9 0.683 -4.917 -2.181
65 3HG1 VAL 9 3HG1 VAL 9 -0.373 -5.872 -1.141
66 1HG2 VAL 9 1HG2 VAL 9 0.615 -6.803 1.026
67 2HG2 VAL 9 2HG2 VAL 9 2.264 -7.413 0.883
68 3HG2 VAL 9 3HG2 VAL 9 1.012 -7.989 -0.218
69 1HN PF5 10 H PF5 10 3.606 -3.826 -1.195
70 HA PF5 10 HA PF5 10 3.281 -3.385 -4.121
71 1HB PF5 10 1HB PF5 10 2.999 -1.049 -3.584
72 2HB PF5 10 2HB PF5 10 3.546 -1.318 -1.923
73 H GLY 11 H GLY 11 5.731 -3.772 -1.796
74 1HA GLY 11 2HA GLY 11 8.065 -3.814 -2.228
75 2HA GLY 11 1HA GLY 11 7.753 -3.102 -3.811
76 H MET 12 H MET 12 6.221 -1.494 -1.201
77 HA MET 12 HA MET 12 8.476 0.360 -0.764
78 1HB MET 12 2HB MET 12 6.844 2.305 -1.309
79 2HB MET 12 1HB MET 12 7.601 1.460 -2.660
80 1HG MET 12 2HG MET 12 5.607 0.065 -2.942
81 2HG MET 12 1HG MET 12 4.849 0.836 -1.548
82 1HE MET 12 1HE MET 12 5.439 2.413 -5.777
83 2HE MET 12 2HE MET 12 5.539 0.763 -5.169
84 3HE MET 12 3HE MET 12 6.833 1.905 -4.816
85 H THR 13 H THR 13 8.070 1.795 1.060
86 HA THR 13 HA THR 13 6.466 0.546 3.123
87 HB THR 13 HB THR 13 7.092 2.743 4.364
88 HG1 THR 13 1HG THR 13 7.766 4.141 2.934
89 1HG2 THR 13 1HG2 THR 13 9.398 1.933 4.704
90 2HG2 THR 13 2HG2 THR 13 9.251 0.916 3.271
91 3HG2 THR 13 3HG2 THR 13 8.251 0.593 4.688
92 H ARG 14 H ARG 14 4.663 1.585 4.252
93 HA ARG 14 HA ARG 14 2.605 2.530 2.571
94 1HB ARG 14 2HB ARG 14 2.998 3.015 5.539
95 2HB ARG 14 1HB ARG 14 1.490 3.288 4.666
96 1HG ARG 14 2HG ARG 14 1.651 0.842 3.919
97 2HG ARG 14 1HG ARG 14 2.913 0.662 5.139
98 1HD ARG 14 2HD ARG 14 0.839 0.030 6.199
99 2HD ARG 14 1HD ARG 14 1.275 1.611 6.830
100 HE ARG 14 HE ARG 14 -0.341 2.145 4.616
101 1HH1 ARG 14 1HH2 ARG 14 -0.573 0.283 7.518
102 2HH1 ARG 14 2HH2 ARG 14 -2.280 0.522 7.688
103 1HH2 ARG 14 1HH1 ARG 14 -2.569 2.456 4.824
104 2HH2 ARG 14 2HH1 ARG 14 -3.406 1.752 6.166
105 H SER 15 H SER 15 5.215 4.283 4.136
106 HA SER 15 HA SER 15 4.094 6.910 3.976
107 1HB SER 15 2HB SER 15 7.019 6.156 3.696
108 2HB SER 15 1HB SER 15 6.376 7.721 4.185
109 HG SER 15 HG SER 15 6.018 5.251 5.548
110 H ALA 16 H ALA 16 6.121 5.070 1.689
111 HA ALA 16 HA ALA 16 6.034 7.168 -0.325
112 1HB ALA 16 1HB ALA 16 6.801 5.108 -1.787
113 2HB ALA 16 2HB ALA 16 7.002 4.327 -0.219
114 3HB ALA 16 3HB ALA 16 7.901 5.798 -0.594
115 H PHE 17 H PHE 17 4.374 4.045 0.149
116 HA PHE 17 HA PHE 17 2.844 4.047 -2.234
117 1HB PHE 17 2HB PHE 17 3.014 2.174 -0.524
118 2HB PHE 17 1HB PHE 17 1.855 3.072 0.458
119 HD1 PHE 17 1HD PHE 17 2.331 1.725 -3.007
120 HD2 PHE 17 2HD PHE 17 -0.445 2.794 0.093
121 HE1 PHE 17 1HE PHE 17 0.467 0.799 -4.356
122 HE2 PHE 17 2HE PHE 17 -2.307 1.867 -1.256
123 HZ PHE 17 HZ PHE 17 -1.852 0.869 -3.480
124 H ALA 18 H ALA 18 2.377 5.771 0.805
125 HA ALA 18 HA ALA 18 -0.314 6.616 0.398
126 1HB ALA 18 1HB ALA 18 0.843 6.923 2.544
127 2HB ALA 18 2HB ALA 18 0.262 8.476 1.942
128 3HB ALA 18 3HB ALA 18 1.969 8.053 1.790
129 H ASN 19 H ASN 19 2.379 7.223 -1.482
130 HA ASN 19 HA ASN 19 1.976 9.978 -2.201
131 1HB ASN 19 2HB ASN 19 3.458 9.523 -4.053
132 2HB ASN 19 1HB ASN 19 4.050 8.616 -2.661
133 1HD2 ASN 19 1HD2 ASN 19 2.274 6.415 -2.663
134 2HD2 ASN 19 2HD2 ASN 19 2.497 5.521 -4.089
135 H LEU 20 H LEU 20 0.534 6.963 -3.322
136 HA LEU 20 HA LEU 20 -0.661 7.994 -5.724
137 1HB LEU 20 2HB LEU 20 -1.823 5.806 -3.990
138 2HB LEU 20 1HB LEU 20 -1.961 5.992 -5.739
139 HG LEU 20 HG LEU 20 0.549 5.328 -4.173
140 1HD1 LEU 20 1HD1 LEU 20 0.424 3.317 -5.766
141 2HD1 LEU 20 2HD1 LEU 20 -1.229 3.829 -6.106
142 3HD1 LEU 20 3HD1 LEU 20 -0.767 3.368 -4.467
143 1HD2 LEU 20 1HD2 LEU 20 0.100 6.120 -7.053
144 2HD2 LEU 20 2HD2 LEU 20 1.469 5.111 -6.588
145 3HD2 LEU 20 3HD2 LEU 20 1.304 6.735 -5.921
146 HA PRO 21 HA PRO 21 -3.997 10.622 -4.501
147 1HB PRO 21 2HB PRO 21 -5.690 8.618 -5.986
148 2HB PRO 21 1HB PRO 21 -5.749 10.394 -6.040
149 1HG PRO 21 2HG PRO 21 -4.552 9.068 -7.973
150 2HG PRO 21 1HG PRO 21 -3.823 10.549 -7.321
151 1HD PRO 21 2HD PRO 21 -2.989 7.707 -6.906
152 2HD PRO 21 1HD PRO 21 -1.994 9.179 -6.945
153 H LEU 22 H LEU 22 -5.475 10.723 -2.810
154 HA LEU 22 HA LEU 22 -5.466 8.732 -0.814
155 1HB LEU 22 2HB LEU 22 -6.069 11.120 -0.457
156 2HB LEU 22 1HB LEU 22 -7.601 10.833 -1.280
157 HG LEU 22 HG LEU 22 -8.121 9.063 0.415
158 1HD1 LEU 22 1HD1 LEU 22 -5.429 9.950 1.393
159 2HD1 LEU 22 2HD1 LEU 22 -6.109 8.325 1.316
160 3HD1 LEU 22 3HD1 LEU 22 -6.634 9.443 2.575
161 1HD2 LEU 22 1HD2 LEU 22 -8.606 10.652 2.247
162 2HD2 LEU 22 2HD2 LEU 22 -8.970 11.367 0.677
163 3HD2 LEU 22 3HD2 LEU 22 -7.494 11.817 1.530
164 H TRP 23 H TRP 23 -7.843 9.280 -3.406
165 HA TRP 23 HA TRP 23 -9.616 7.189 -2.400
166 1HB TRP 23 2HB TRP 23 -10.947 7.638 -4.374
167 2HB TRP 23 1HB TRP 23 -10.407 9.180 -3.709
168 HD1 TRP 23 HD TRP 23 -8.894 10.673 -5.175
169 HE1 TRP 23 1HE TRP 23 -7.935 10.470 -7.560
170 HE3 TRP 23 3HE TRP 23 -10.032 5.797 -6.171
171 HZ2 TRP 23 2HZ TRP 23 -7.685 8.499 -9.618
172 HZ3 TRP 23 3HZ TRP 23 -9.424 4.782 -8.348
173 HH2 TRP 23 HH TRP 23 -8.254 6.126 -10.072
174 H ARG 24 H ARG 24 -7.014 7.382 -4.761
175 HA ARG 24 HA ARG 24 -7.637 4.900 -6.100
176 1HB ARG 24 2HB ARG 24 -6.188 6.678 -7.077
177 2HB ARG 24 1HB ARG 24 -4.958 6.297 -5.870
178 1HG ARG 24 2HG ARG 24 -4.778 4.015 -6.710
179 2HG ARG 24 1HG ARG 24 -6.091 4.302 -7.852
180 1HD ARG 24 2HD ARG 24 -4.528 4.954 -9.337
181 2HD ARG 24 1HD ARG 24 -4.278 6.380 -8.328
182 HE ARG 24 HE ARG 24 -2.702 4.476 -7.111
183 1HH1 ARG 24 1HH2 ARG 24 -3.125 5.625 -10.332
184 2HH1 ARG 24 2HH2 ARG 24 -1.471 5.375 -10.782
185 1HH2 ARG 24 1HH1 ARG 24 -0.538 4.145 -7.677
186 2HH2 ARG 24 2HH1 ARG 24 -0.005 4.538 -9.277
187 H GLN 25 H GLN 25 -5.275 5.706 -3.520
188 HA GLN 25 HA GLN 25 -4.055 3.219 -3.238
189 1HB GLN 25 2HB GLN 25 -3.880 3.787 -0.769
190 2HB GLN 25 1HB GLN 25 -3.295 5.032 -1.874
191 1HG GLN 25 2HG GLN 25 -5.457 6.215 -1.698
192 2HG GLN 25 1HG GLN 25 -6.047 4.973 -0.590
193 1HE2 GLN 25 1HE2 GLN 25 -3.596 7.551 -0.924
194 2HE2 GLN 25 2HE2 GLN 25 -3.331 7.740 0.742
195 H GLN 26 H GLN 26 -7.246 4.197 -1.972
196 HA GLN 26 HA GLN 26 -7.738 1.707 -0.597
197 1HB GLN 26 2HB GLN 26 -9.657 3.745 -1.765
198 2HB GLN 26 1HB GLN 26 -10.149 2.386 -0.754
199 1HG GLN 26 2HG GLN 26 -8.712 3.219 1.072
200 2HG GLN 26 1HG GLN 26 -8.226 4.583 0.063
201 1HE2 GLN 26 1HE2 GLN 26 -9.596 4.944 2.578
202 2HE2 GLN 26 2HE2 GLN 26 -11.123 5.610 2.251
203 H ASN 27 H ASN 27 -8.273 2.854 -3.888
204 HA ASN 27 HA ASN 27 -9.817 0.649 -4.841
205 1HB ASN 27 2HB ASN 27 -9.424 2.838 -6.044
206 2HB ASN 27 1HB ASN 27 -7.800 2.270 -6.426
207 1HD2 ASN 27 1HD2 ASN 27 -11.247 1.268 -6.780
208 2HD2 ASN 27 2HD2 ASN 27 -11.010 0.448 -8.247
209 H LEU 28 H LEU 28 -6.290 1.245 -5.055
210 HA LEU 28 HA LEU 28 -5.691 -1.360 -6.129
211 1HB LEU 28 2HB LEU 28 -3.856 0.471 -4.559
212 2HB LEU 28 1HB LEU 28 -3.371 -0.808 -5.670
213 HG LEU 28 HG LEU 28 -4.870 1.729 -6.388
214 1HD1 LEU 28 1HD1 LEU 28 -2.345 1.790 -5.932
215 2HD1 LEU 28 2HD1 LEU 28 -2.869 2.378 -7.509
216 3HD1 LEU 28 3HD1 LEU 28 -2.172 0.765 -7.357
217 1HD2 LEU 28 1HD2 LEU 28 -4.347 0.753 -8.763
218 2HD2 LEU 28 2HD2 LEU 28 -5.740 0.132 -7.877
219 3HD2 LEU 28 3HD2 LEU 28 -4.236 -0.790 -7.915
220 H ARG 29 H ARG 29 -5.950 -0.096 -2.835
221 HA ARG 29 HA ARG 29 -4.779 -2.486 -1.645
222 1HB ARG 29 2HB ARG 29 -6.255 -0.107 -0.514
223 2HB ARG 29 1HB ARG 29 -5.724 -1.454 0.496
224 1HG ARG 29 2HG ARG 29 -3.403 -1.119 -0.258
225 2HG ARG 29 1HG ARG 29 -3.923 0.215 -1.288
226 1HD ARG 29 2HD ARG 29 -4.171 0.109 1.733
227 2HD ARG 29 1HD ARG 29 -3.009 1.074 0.825
228 HE ARG 29 HE ARG 29 -5.467 1.860 -0.189
229 1HH1 ARG 29 1HH2 ARG 29 -4.010 1.598 2.928
230 2HH1 ARG 29 2HH2 ARG 29 -4.908 2.917 3.602
231 1HH2 ARG 29 1HH1 ARG 29 -6.643 3.579 0.674
232 2HH2 ARG 29 2HH1 ARG 29 -6.399 4.039 2.325
233 H ARG 30 H ARG 30 -8.126 -1.247 -2.004
234 HA ARG 30 HA ARG 30 -9.360 -3.418 -0.609
235 1HB ARG 30 2HB ARG 30 -10.357 -1.566 -2.781
236 2HB ARG 30 1HB ARG 30 -11.385 -2.807 -2.065
237 1HG ARG 30 2HG ARG 30 -10.961 -1.849 0.181
238 2HG ARG 30 1HG ARG 30 -9.966 -0.592 -0.555
239 1HD ARG 30 2HD ARG 30 -12.913 -1.066 -1.091
240 2HD ARG 30 1HD ARG 30 -12.231 0.261 -0.153
241 HE ARG 30 HE ARG 30 -10.969 0.470 -2.612
242 1HH1 ARG 30 1HH2 ARG 30 -14.220 0.262 -1.478
243 2HH1 ARG 30 2HH2 ARG 30 -14.869 1.220 -2.768
244 1HH2 ARG 30 1HH1 ARG 30 -11.798 1.720 -4.298
245 2HH2 ARG 30 2HH1 ARG 30 -13.497 2.046 -4.364
246 H GLU 31 H GLU 31 -8.570 -2.978 -4.059
247 HA GLU 31 HA GLU 31 -9.617 -5.502 -4.938
248 1HB GLU 31 2HB GLU 31 -7.396 -3.746 -6.028
249 2HB GLU 31 1HB GLU 31 -7.994 -5.182 -6.859
250 1HG GLU 31 2HG GLU 31 -10.266 -4.207 -6.897
251 2HG GLU 31 1HG GLU 31 -9.654 -2.765 -6.085
252 H ARG 32 H ARG 32 -6.854 -4.656 -3.081
253 HA ARG 32 HA ARG 32 -5.303 -7.039 -3.783
254 1HB ARG 32 2HB ARG 32 -4.364 -4.770 -3.028
255 2HB ARG 32 1HB ARG 32 -4.840 -5.250 -1.398
256 1HG ARG 32 2HG ARG 32 -2.689 -6.095 -1.432
257 2HG ARG 32 1HG ARG 32 -3.561 -7.487 -2.071
258 1HD ARG 32 2HD ARG 32 -3.160 -6.418 -4.396
259 2HD ARG 32 1HD ARG 32 -1.947 -5.435 -3.578
260 HE ARG 32 HE ARG 32 -1.333 -8.033 -2.817
261 1HH1 ARG 32 1HH2 ARG 32 -1.842 -6.335 -5.774
262 2HH1 ARG 32 2HH2 ARG 32 -0.736 -7.312 -6.681
263 1HH2 ARG 32 1HH1 ARG 32 0.114 -9.319 -3.983
264 2HH2 ARG 32 2HH1 ARG 32 0.372 -9.000 -5.666
265 H GLY 33 H GLY 33 -7.720 -6.196 -1.407
266 1HA GLY 33 2HA GLY 33 -8.904 -7.858 -0.124
267 2HA GLY 33 1HA GLY 33 -7.557 -8.969 -0.371
268 H LEU 34 H LEU 34 -6.162 -6.094 0.429
269 HA LEU 34 HA LEU 34 -5.802 -6.987 3.234
270 1HB LEU 34 2HB LEU 34 -4.402 -4.670 1.890
271 2HB LEU 34 1HB LEU 34 -3.865 -5.609 3.284
272 HG LEU 34 HG LEU 34 -4.144 -6.647 0.447
273 1HD1 LEU 34 1HD1 LEU 34 -2.207 -5.153 0.770
274 2HD1 LEU 34 2HD1 LEU 34 -1.681 -6.824 0.557
275 3HD1 LEU 34 3HD1 LEU 34 -1.704 -6.104 2.167
276 1HD2 LEU 34 1HD2 LEU 34 -3.413 -7.944 3.078
277 2HD2 LEU 34 2HD2 LEU 34 -2.883 -8.622 1.538
278 3HD2 LEU 34 3HD2 LEU 34 -4.605 -8.474 1.892
279 H PHE 35 H PHE 35 -5.884 -3.681 1.900
280 HA PHE 35 HA PHE 35 -6.816 -1.752 2.913
281 1HB PHE 35 2HB PHE 35 -9.237 -1.827 2.899
282 2HB PHE 35 1HB PHE 35 -8.656 -2.783 1.535
283 HD1 PHE 35 1HD PHE 35 -10.140 -2.925 4.918
284 HD2 PHE 35 2HD PHE 35 -8.886 -5.196 1.493
285 HE1 PHE 35 1HE PHE 35 -11.335 -4.912 5.798
286 HE2 PHE 35 2HE PHE 35 -10.081 -7.182 2.373
287 HZ PHE 35 HZ PHE 35 -11.306 -7.040 4.525
Start of MODEL 4
1 1H LEU 1 1HT LEU 1 0.743 -1.682 10.301
2 2H LEU 1 2HT LEU 1 -0.561 -0.969 11.126
3 3H LEU 1 3HT LEU 1 -0.565 -1.044 9.428
4 HA LEU 1 HA LEU 1 -1.356 -3.022 11.358
5 1HB LEU 1 2HB LEU 1 -1.742 -2.955 8.357
6 2HB LEU 1 1HB LEU 1 -2.770 -3.727 9.565
7 HG LEU 1 HG LEU 1 -2.331 -0.747 9.219
8 1HD1 LEU 1 1HD1 LEU 1 -4.736 -2.549 8.800
9 2HD1 LEU 1 2HD1 LEU 1 -3.842 -1.683 7.550
10 3HD1 LEU 1 3HD1 LEU 1 -4.786 -0.787 8.740
11 1HD2 LEU 1 1HD2 LEU 1 -4.227 -0.730 10.990
12 2HD2 LEU 1 2HD2 LEU 1 -2.589 -1.067 11.550
13 3HD2 LEU 1 3HD2 LEU 1 -3.735 -2.389 11.329
14 H SER 2 H SER 2 0.311 -3.229 8.188
15 HA SER 2 HA SER 2 1.981 -5.419 9.297
16 1HB SER 2 2HB SER 2 1.407 -6.979 7.605
17 2HB SER 2 1HB SER 2 -0.138 -6.323 8.136
18 HG SER 2 HG SER 2 -0.038 -4.884 6.363
19 H ASP 3 H ASP 3 3.422 -3.407 9.059
20 HA ASP 3 HA ASP 3 4.126 -2.360 6.507
21 1HB ASP 3 2HB ASP 3 6.190 -1.604 7.575
22 2HB ASP 3 1HB ASP 3 4.842 -1.372 8.688
23 H GLU 4 H GLU 4 5.101 -5.288 8.197
24 HA GLU 4 HA GLU 4 7.293 -5.963 6.449
25 1HB GLU 4 2HB GLU 4 6.725 -6.973 8.755
26 2HB GLU 4 1HB GLU 4 5.549 -7.965 7.892
27 1HG GLU 4 2HG GLU 4 7.571 -9.253 8.012
28 2HG GLU 4 1HG GLU 4 7.440 -8.672 6.352
29 H ASP 5 H ASP 5 3.879 -7.021 6.554
30 HA ASP 5 HA ASP 5 4.104 -8.497 4.060
31 1HB ASP 5 2HB ASP 5 1.587 -7.502 5.427
32 2HB ASP 5 1HB ASP 5 1.714 -8.823 4.264
33 H PHE 6 H PHE 6 2.637 -5.382 4.998
34 HA PHE 6 HA PHE 6 1.625 -4.593 2.500
35 1HB PHE 6 2HB PHE 6 1.267 -3.300 4.563
36 2HB PHE 6 1HB PHE 6 2.975 -2.860 4.593
37 HD1 PHE 6 1HD PHE 6 -0.285 -2.155 3.157
38 HD2 PHE 6 2HD PHE 6 3.934 -1.469 2.725
39 HE1 PHE 6 1HE PHE 6 -0.750 -0.239 1.652
40 HE2 PHE 6 2HE PHE 6 3.467 0.446 1.219
41 HZ PHE 6 HZ PHE 6 1.125 1.061 0.683
42 H ARG 7 H ARG 7 4.834 -3.675 3.813
43 HA ARG 7 HA ARG 7 5.856 -2.447 1.517
44 1HB ARG 7 2HB ARG 7 6.993 -2.537 3.743
45 2HB ARG 7 1HB ARG 7 7.426 -4.216 3.419
46 1HG ARG 7 2HG ARG 7 8.652 -3.506 1.394
47 2HG ARG 7 1HG ARG 7 8.228 -1.827 1.729
48 1HD ARG 7 2HD ARG 7 9.302 -2.691 4.132
49 2HD ARG 7 1HD ARG 7 10.311 -3.498 2.935
50 HE ARG 7 HE ARG 7 10.550 -0.778 3.583
51 1HH1 ARG 7 1HH2 ARG 7 9.945 -2.737 0.811
52 2HH1 ARG 7 2HH2 ARG 7 10.690 -1.632 -0.295
53 1HH2 ARG 7 1HH1 ARG 7 11.524 0.673 2.157
54 2HH2 ARG 7 2HH1 ARG 7 11.585 0.298 0.466
55 H ALA 8 H ALA 8 5.689 -5.906 2.265
56 HA ALA 8 HA ALA 8 7.254 -6.774 0.010
57 1HB ALA 8 1HB ALA 8 6.698 -8.167 2.032
58 2HB ALA 8 2HB ALA 8 6.387 -8.982 0.500
59 3HB ALA 8 3HB ALA 8 5.049 -8.298 1.424
60 H VAL 9 H VAL 9 3.878 -5.879 0.392
61 HA VAL 9 HA VAL 9 2.943 -7.142 -2.024
62 HB VAL 9 HB VAL 9 1.835 -4.826 -0.421
63 1HG1 VAL 9 1HG1 VAL 9 0.914 -4.597 -2.607
64 2HG1 VAL 9 2HG1 VAL 9 -0.302 -5.481 -1.684
65 3HG1 VAL 9 3HG1 VAL 9 0.755 -6.342 -2.804
66 1HG2 VAL 9 1HG2 VAL 9 0.449 -6.438 0.618
67 2HG2 VAL 9 2HG2 VAL 9 2.025 -7.228 0.543
68 3HG2 VAL 9 3HG2 VAL 9 0.772 -7.645 -0.628
69 1HN PF5 10 H PF5 10 3.890 -3.739 -1.351
70 HA PF5 10 HA PF5 10 3.843 -3.293 -4.298
71 1HB PF5 10 1HB PF5 10 3.705 -0.937 -3.794
72 2HB PF5 10 2HB PF5 10 4.075 -1.232 -2.090
73 H GLY 11 H GLY 11 6.016 -3.641 -1.640
74 1HA GLY 11 2HA GLY 11 8.376 -3.951 -1.888
75 2HA GLY 11 1HA GLY 11 8.273 -3.240 -3.499
76 H MET 12 H MET 12 6.592 -1.439 -1.149
77 HA MET 12 HA MET 12 8.944 0.238 -0.494
78 1HB MET 12 2HB MET 12 7.716 2.296 -1.232
79 2HB MET 12 1HB MET 12 8.150 1.230 -2.569
80 1HG MET 12 2HG MET 12 5.889 0.276 -2.572
81 2HG MET 12 1HG MET 12 5.447 1.284 -1.193
82 1HE MET 12 1HE MET 12 5.943 2.410 -5.576
83 2HE MET 12 2HE MET 12 5.742 0.823 -4.838
84 3HE MET 12 3HE MET 12 7.282 1.667 -4.690
85 H THR 13 H THR 13 8.353 1.905 1.171
86 HA THR 13 HA THR 13 6.620 0.711 3.185
87 HB THR 13 HB THR 13 7.195 2.935 4.394
88 HG1 THR 13 1HG THR 13 7.943 3.598 2.053
89 1HG2 THR 13 1HG2 THR 13 8.306 0.786 4.857
90 2HG2 THR 13 2HG2 THR 13 9.463 2.116 4.913
91 3HG2 THR 13 3HG2 THR 13 9.403 1.058 3.503
92 H ARG 14 H ARG 14 4.780 1.859 4.167
93 HA ARG 14 HA ARG 14 2.841 2.734 2.317
94 1HB ARG 14 2HB ARG 14 3.085 3.363 5.273
95 2HB ARG 14 1HB ARG 14 1.641 3.665 4.307
96 1HG ARG 14 2HG ARG 14 1.603 1.226 3.710
97 2HG ARG 14 1HG ARG 14 2.935 0.976 4.839
98 1HD ARG 14 2HD ARG 14 1.474 2.028 6.635
99 2HD ARG 14 1HD ARG 14 0.146 1.967 5.485
100 HE ARG 14 HE ARG 14 1.152 -0.630 5.521
101 1HH1 ARG 14 1HH2 ARG 14 0.041 1.654 7.865
102 2HH1 ARG 14 2HH2 ARG 14 -0.597 0.446 8.931
103 1HH2 ARG 14 1HH1 ARG 14 0.328 -2.213 6.907
104 2HH2 ARG 14 2HH1 ARG 14 -0.435 -1.739 8.387
105 H SER 15 H SER 15 5.414 4.525 3.885
106 HA SER 15 HA SER 15 4.414 7.163 3.633
107 1HB SER 15 2HB SER 15 6.581 6.493 4.753
108 2HB SER 15 1HB SER 15 7.286 6.320 3.148
109 HG SER 15 HG SER 15 6.132 8.627 3.090
110 H ALA 16 H ALA 16 6.229 5.190 1.279
111 HA ALA 16 HA ALA 16 6.065 7.224 -0.795
112 1HB ALA 16 1HB ALA 16 6.535 4.283 -1.282
113 2HB ALA 16 2HB ALA 16 7.788 5.301 -0.572
114 3HB ALA 16 3HB ALA 16 7.167 5.660 -2.184
115 H PHE 17 H PHE 17 4.366 4.155 -0.134
116 HA PHE 17 HA PHE 17 2.668 4.169 -2.407
117 1HB PHE 17 2HB PHE 17 2.957 2.322 -0.646
118 2HB PHE 17 1HB PHE 17 1.802 3.229 0.333
119 HD1 PHE 17 1HD PHE 17 2.247 1.768 -3.086
120 HD2 PHE 17 2HD PHE 17 -0.505 2.948 -0.006
121 HE1 PHE 17 1HE PHE 17 0.374 0.786 -4.382
122 HE2 PHE 17 2HE PHE 17 -2.377 1.966 -1.303
123 HZ PHE 17 HZ PHE 17 -1.938 0.885 -3.491
124 H ALA 18 H ALA 18 2.366 5.806 0.722
125 HA ALA 18 HA ALA 18 -0.299 6.734 0.476
126 1HB ALA 18 1HB ALA 18 0.521 8.669 1.913
127 2HB ALA 18 2HB ALA 18 2.138 7.982 1.771
128 3HB ALA 18 3HB ALA 18 0.854 7.063 2.558
129 H ASN 19 H ASN 19 2.415 7.441 -1.440
130 HA ASN 19 HA ASN 19 1.904 10.158 -2.164
131 1HB ASN 19 2HB ASN 19 3.159 7.910 -3.769
132 2HB ASN 19 1HB ASN 19 3.228 9.619 -4.204
133 1HD2 ASN 19 1HD2 ASN 19 5.586 8.027 -3.586
134 2HD2 ASN 19 2HD2 ASN 19 6.282 8.677 -2.181
135 H LEU 20 H LEU 20 0.466 7.128 -3.235
136 HA LEU 20 HA LEU 20 -0.826 8.221 -5.590
137 1HB LEU 20 2HB LEU 20 -1.710 5.822 -3.966
138 2HB LEU 20 1HB LEU 20 -2.023 6.135 -5.673
139 HG LEU 20 HG LEU 20 0.716 5.688 -4.447
140 1HD1 LEU 20 1HD1 LEU 20 -0.359 3.581 -4.468
141 2HD1 LEU 20 2HD1 LEU 20 0.539 3.613 -5.985
142 3HD1 LEU 20 3HD1 LEU 20 -1.197 3.927 -5.980
143 1HD2 LEU 20 1HD2 LEU 20 1.060 7.065 -6.327
144 2HD2 LEU 20 2HD2 LEU 20 -0.271 6.334 -7.223
145 3HD2 LEU 20 3HD2 LEU 20 1.232 5.440 -6.992
146 HA PRO 21 HA PRO 21 -4.301 10.482 -4.073
147 1HB PRO 21 2HB PRO 21 -5.910 8.502 -5.673
148 2HB PRO 21 1HB PRO 21 -6.068 10.270 -5.593
149 1HG PRO 21 2HG PRO 21 -4.859 9.174 -7.649
150 2HG PRO 21 1HG PRO 21 -4.176 10.626 -6.892
151 1HD PRO 21 2HD PRO 21 -3.227 7.789 -6.711
152 2HD PRO 21 1HD PRO 21 -2.284 9.295 -6.706
153 H LEU 22 H LEU 22 -5.452 10.345 -2.196
154 HA LEU 22 HA LEU 22 -5.368 8.154 -0.472
155 1HB LEU 22 2HB LEU 22 -5.992 10.465 0.188
156 2HB LEU 22 1HB LEU 22 -7.559 10.247 -0.592
157 HG LEU 22 HG LEU 22 -7.983 8.293 0.912
158 1HD1 LEU 22 1HD1 LEU 22 -5.926 7.474 1.618
159 2HD1 LEU 22 2HD1 LEU 22 -6.392 8.431 3.024
160 3HD1 LEU 22 3HD1 LEU 22 -5.250 9.087 1.853
161 1HD2 LEU 22 1HD2 LEU 22 -7.366 10.982 2.166
162 2HD2 LEU 22 2HD2 LEU 22 -8.229 9.698 3.011
163 3HD2 LEU 22 3HD2 LEU 22 -8.923 10.418 1.559
164 H TRP 23 H TRP 23 -8.054 9.009 -2.680
165 HA TRP 23 HA TRP 23 -9.691 6.775 -1.887
166 1HB TRP 23 2HB TRP 23 -11.081 7.354 -3.771
167 2HB TRP 23 1HB TRP 23 -10.506 8.858 -3.053
168 HD1 TRP 23 HD TRP 23 -8.944 10.378 -4.466
169 HE1 TRP 23 1HE TRP 23 -8.109 10.299 -6.904
170 HE3 TRP 23 3HE TRP 23 -10.373 5.643 -5.733
171 HZ2 TRP 23 2HZ TRP 23 -8.054 8.468 -9.101
172 HZ3 TRP 23 3HZ TRP 23 -9.918 4.757 -8.002
173 HH2 TRP 23 HH TRP 23 -8.762 6.162 -9.687
174 H ARG 24 H ARG 24 -7.383 7.241 -4.562
175 HA ARG 24 HA ARG 24 -7.903 4.790 -5.909
176 1HB ARG 24 2HB ARG 24 -6.525 6.630 -6.848
177 2HB ARG 24 1HB ARG 24 -5.257 6.251 -5.681
178 1HG ARG 24 2HG ARG 24 -5.033 3.997 -6.604
179 2HG ARG 24 1HG ARG 24 -6.359 4.303 -7.728
180 1HD ARG 24 2HD ARG 24 -4.846 5.093 -9.193
181 2HD ARG 24 1HD ARG 24 -4.560 6.439 -8.086
182 HE ARG 24 HE ARG 24 -2.971 4.455 -7.042
183 1HH1 ARG 24 1HH2 ARG 24 -3.471 5.783 -10.183
184 2HH1 ARG 24 2HH2 ARG 24 -1.833 5.540 -10.693
185 1HH2 ARG 24 1HH1 ARG 24 -0.828 4.129 -7.689
186 2HH2 ARG 24 2HH1 ARG 24 -0.337 4.605 -9.281
187 H GLN 25 H GLN 25 -5.633 5.503 -3.241
188 HA GLN 25 HA GLN 25 -4.266 3.062 -3.152
189 1HB GLN 25 2HB GLN 25 -5.227 4.754 -0.831
190 2HB GLN 25 1HB GLN 25 -4.043 3.454 -0.695
191 1HG GLN 25 2HG GLN 25 -2.511 4.598 -2.180
192 2HG GLN 25 1HG GLN 25 -3.719 5.828 -2.554
193 1HE2 GLN 25 1HE2 GLN 25 -2.142 7.453 -1.702
194 2HE2 GLN 25 2HE2 GLN 25 -1.988 7.670 -0.026
195 H GLN 26 H GLN 26 -7.486 3.797 -1.776
196 HA GLN 26 HA GLN 26 -7.880 1.213 -0.592
197 1HB GLN 26 2HB GLN 26 -9.905 3.176 -1.712
198 2HB GLN 26 1HB GLN 26 -10.314 1.762 -0.740
199 1HG GLN 26 2HG GLN 26 -8.395 3.897 0.216
200 2HG GLN 26 1HG GLN 26 -10.128 3.960 0.540
201 1HE2 GLN 26 1HE2 GLN 26 -10.951 2.615 2.208
202 2HE2 GLN 26 2HE2 GLN 26 -9.994 1.534 3.102
203 H ASN 27 H ASN 27 -8.474 2.505 -3.826
204 HA ASN 27 HA ASN 27 -9.847 0.257 -4.919
205 1HB ASN 27 2HB ASN 27 -9.537 2.558 -5.976
206 2HB ASN 27 1HB ASN 27 -7.911 2.040 -6.422
207 1HD2 ASN 27 1HD2 ASN 27 -9.478 2.603 -8.573
208 2HD2 ASN 27 2HD2 ASN 27 -10.047 1.190 -9.322
209 H LEU 28 H LEU 28 -6.363 1.076 -4.992
210 HA LEU 28 HA LEU 28 -5.613 -1.457 -6.187
211 1HB LEU 28 2HB LEU 28 -3.873 0.473 -4.627
212 2HB LEU 28 1HB LEU 28 -3.326 -0.752 -5.769
213 HG LEU 28 HG LEU 28 -4.995 1.698 -6.403
214 1HD1 LEU 28 1HD1 LEU 28 -3.056 2.396 -7.678
215 2HD1 LEU 28 2HD1 LEU 28 -2.249 0.858 -7.373
216 3HD1 LEU 28 3HD1 LEU 28 -2.516 1.991 -6.048
217 1HD2 LEU 28 1HD2 LEU 28 -5.834 0.077 -7.883
218 2HD2 LEU 28 2HD2 LEU 28 -4.286 -0.760 -7.992
219 3HD2 LEU 28 3HD2 LEU 28 -4.510 0.785 -8.809
220 H ARG 29 H ARG 29 -5.892 -0.263 -2.869
221 HA ARG 29 HA ARG 29 -4.533 -2.583 -1.741
222 1HB ARG 29 2HB ARG 29 -6.161 -0.342 -0.534
223 2HB ARG 29 1HB ARG 29 -5.486 -1.654 0.434
224 1HG ARG 29 2HG ARG 29 -3.228 -1.110 -0.371
225 2HG ARG 29 1HG ARG 29 -3.887 0.182 -1.375
226 1HD ARG 29 2HD ARG 29 -4.111 0.045 1.647
227 2HD ARG 29 1HD ARG 29 -2.968 1.051 0.760
228 HE ARG 29 HE ARG 29 -5.441 1.752 -0.288
229 1HH1 ARG 29 1HH2 ARG 29 -4.000 1.552 2.841
230 2HH1 ARG 29 2HH2 ARG 29 -4.946 2.844 3.502
231 1HH2 ARG 29 1HH1 ARG 29 -6.679 3.436 0.557
232 2HH2 ARG 29 2HH1 ARG 29 -6.463 3.911 2.209
233 H ARG 30 H ARG 30 -7.971 -1.556 -1.933
234 HA ARG 30 HA ARG 30 -8.979 -3.898 -0.618
235 1HB ARG 30 2HB ARG 30 -10.309 -1.812 -1.038
236 2HB ARG 30 1HB ARG 30 -10.386 -2.253 -2.745
237 1HG ARG 30 2HG ARG 30 -11.556 -4.316 -2.213
238 2HG ARG 30 1HG ARG 30 -11.354 -4.027 -0.484
239 1HD ARG 30 2HD ARG 30 -12.865 -2.169 -2.342
240 2HD ARG 30 1HD ARG 30 -13.631 -3.404 -1.345
241 HE ARG 30 HE ARG 30 -12.118 -1.947 0.460
242 1HH1 ARG 30 1HH2 ARG 30 -14.478 -1.246 -1.956
243 2HH1 ARG 30 2HH2 ARG 30 -15.111 0.135 -1.125
244 1HH2 ARG 30 1HH1 ARG 30 -12.931 -0.151 1.557
245 2HH2 ARG 30 2HH1 ARG 30 -14.235 0.755 0.865
246 H GLU 31 H GLU 31 -8.146 -3.207 -3.985
247 HA GLU 31 HA GLU 31 -9.273 -5.529 -5.190
248 1HB GLU 31 2HB GLU 31 -8.232 -3.578 -6.411
249 2HB GLU 31 1HB GLU 31 -6.649 -4.201 -5.944
250 1HG GLU 31 2HG GLU 31 -7.207 -6.354 -7.077
251 2HG GLU 31 1HG GLU 31 -8.724 -5.639 -7.621
252 H ARG 32 H ARG 32 -6.495 -5.095 -3.140
253 HA ARG 32 HA ARG 32 -5.606 -7.882 -3.716
254 1HB ARG 32 2HB ARG 32 -4.175 -5.581 -2.361
255 2HB ARG 32 1HB ARG 32 -3.503 -7.200 -2.563
256 1HG ARG 32 2HG ARG 32 -3.895 -6.941 -5.053
257 2HG ARG 32 1HG ARG 32 -4.279 -5.248 -4.742
258 1HD ARG 32 2HD ARG 32 -2.062 -4.902 -3.752
259 2HD ARG 32 1HD ARG 32 -1.675 -6.606 -3.987
260 HE ARG 32 HE ARG 32 -2.350 -5.690 -6.527
261 1HH1 ARG 32 1HH2 ARG 32 -0.154 -4.812 -4.019
262 2HH1 ARG 32 2HH2 ARG 32 1.049 -4.199 -5.104
263 1HH2 ARG 32 1HH1 ARG 32 -0.793 -4.895 -7.958
264 2HH2 ARG 32 2HH1 ARG 32 0.687 -4.246 -7.335
265 H GLY 33 H GLY 33 -7.707 -6.511 -1.674
266 1HA GLY 33 2HA GLY 33 -8.644 -7.438 0.298
267 2HA GLY 33 1HA GLY 33 -7.335 -8.619 0.319
268 H LEU 34 H LEU 34 -6.613 -5.206 0.078
269 HA LEU 34 HA LEU 34 -5.720 -5.265 2.936
270 1HB LEU 34 2HB LEU 34 -4.347 -3.839 0.638
271 2HB LEU 34 1HB LEU 34 -3.784 -3.925 2.307
272 HG LEU 34 HG LEU 34 -4.187 -6.333 0.511
273 1HD1 LEU 34 1HD1 LEU 34 -2.305 -4.697 -0.107
274 2HD1 LEU 34 2HD1 LEU 34 -1.829 -6.371 0.182
275 3HD1 LEU 34 3HD1 LEU 34 -1.560 -5.150 1.426
276 1HD2 LEU 34 1HD2 LEU 34 -2.633 -7.270 2.410
277 2HD2 LEU 34 2HD2 LEU 34 -4.363 -7.115 2.714
278 3HD2 LEU 34 3HD2 LEU 34 -3.246 -5.901 3.337
279 H PHE 35 H PHE 35 -5.759 -3.170 4.012
280 HA PHE 35 HA PHE 35 -6.838 -0.817 2.744
281 1HB PHE 35 2HB PHE 35 -9.066 -0.809 3.689
282 2HB PHE 35 1HB PHE 35 -8.867 -2.314 2.792
283 HD1 PHE 35 1HD PHE 35 -9.288 -0.796 6.091
284 HD2 PHE 35 2HD PHE 35 -8.459 -4.450 3.992
285 HE1 PHE 35 1HE PHE 35 -9.779 -2.089 8.149
286 HE2 PHE 35 2HE PHE 35 -8.951 -5.744 6.050
287 HZ PHE 35 HZ PHE 35 -9.611 -4.564 8.129
Start of MODEL 5
1 1H LEU 1 1HT LEU 1 -0.162 0.370 9.346
2 2H LEU 1 2HT LEU 1 0.118 -0.829 8.175
3 3H LEU 1 3HT LEU 1 1.425 -0.110 8.990
4 HA LEU 1 HA LEU 1 0.632 -1.057 11.091
5 1HB LEU 1 2HB LEU 1 -1.255 -2.657 9.350
6 2HB LEU 1 1HB LEU 1 -1.189 -2.603 11.112
7 HG LEU 1 HG LEU 1 -1.980 -0.320 9.279
8 1HD1 LEU 1 1HD1 LEU 1 -3.566 -1.912 11.320
9 2HD1 LEU 1 2HD1 LEU 1 -3.697 -2.087 9.569
10 3HD1 LEU 1 3HD1 LEU 1 -4.181 -0.578 10.344
11 1HD2 LEU 1 1HD2 LEU 1 -0.886 0.695 11.117
12 2HD2 LEU 1 2HD2 LEU 1 -1.496 -0.507 12.254
13 3HD2 LEU 1 3HD2 LEU 1 -2.588 0.705 11.583
14 H SER 2 H SER 2 0.104 -3.332 8.396
15 HA SER 2 HA SER 2 2.322 -4.984 9.362
16 1HB SER 2 2HB SER 2 0.934 -5.439 6.738
17 2HB SER 2 1HB SER 2 1.546 -6.621 7.891
18 HG SER 2 HG SER 2 -0.749 -4.969 8.094
19 H ASP 3 H ASP 3 3.772 -2.946 8.929
20 HA ASP 3 HA ASP 3 4.468 -2.146 6.303
21 1HB ASP 3 2HB ASP 3 6.252 -2.393 8.746
22 2HB ASP 3 1HB ASP 3 6.655 -1.491 7.285
23 H GLU 4 H GLU 4 5.383 -4.985 8.173
24 HA GLU 4 HA GLU 4 7.497 -5.869 6.427
25 1HB GLU 4 2HB GLU 4 6.962 -6.702 8.800
26 2HB GLU 4 1HB GLU 4 5.700 -7.681 8.050
27 1HG GLU 4 2HG GLU 4 7.657 -9.069 8.195
28 2HG GLU 4 1HG GLU 4 7.483 -8.606 6.502
29 H ASP 5 H ASP 5 4.074 -6.876 6.707
30 HA ASP 5 HA ASP 5 4.193 -8.443 4.261
31 1HB ASP 5 2HB ASP 5 1.779 -7.407 5.781
32 2HB ASP 5 1HB ASP 5 1.768 -8.679 4.559
33 H PHE 6 H PHE 6 2.746 -5.301 5.144
34 HA PHE 6 HA PHE 6 1.647 -4.595 2.661
35 1HB PHE 6 2HB PHE 6 1.373 -3.228 4.690
36 2HB PHE 6 1HB PHE 6 3.081 -2.794 4.639
37 HD1 PHE 6 1HD PHE 6 -0.230 -2.111 3.323
38 HD2 PHE 6 2HD PHE 6 3.970 -1.489 2.669
39 HE1 PHE 6 1HE PHE 6 -0.747 -0.248 1.769
40 HE2 PHE 6 2HE PHE 6 3.451 0.375 1.115
41 HZ PHE 6 HZ PHE 6 1.093 0.995 0.666
42 H ARG 7 H ARG 7 4.907 -3.645 3.815
43 HA ARG 7 HA ARG 7 5.842 -2.499 1.442
44 1HB ARG 7 2HB ARG 7 7.063 -2.522 3.626
45 2HB ARG 7 1HB ARG 7 7.483 -4.210 3.336
46 1HG ARG 7 2HG ARG 7 8.627 -3.563 1.242
47 2HG ARG 7 1HG ARG 7 8.219 -1.874 1.546
48 1HD ARG 7 2HD ARG 7 9.386 -2.666 3.927
49 2HD ARG 7 1HD ARG 7 10.345 -3.517 2.718
50 HE ARG 7 HE ARG 7 10.617 -0.777 3.267
51 1HH1 ARG 7 1HH2 ARG 7 9.897 -2.823 0.587
52 2HH1 ARG 7 2HH2 ARG 7 10.602 -1.757 -0.584
53 1HH2 ARG 7 1HH1 ARG 7 11.540 0.622 1.757
54 2HH2 ARG 7 2HH1 ARG 7 11.532 0.193 0.078
55 H ALA 8 H ALA 8 5.691 -5.930 2.309
56 HA ALA 8 HA ALA 8 7.178 -6.894 0.048
57 1HB ALA 8 1HB ALA 8 6.266 -9.065 0.613
58 2HB ALA 8 2HB ALA 8 4.972 -8.328 1.557
59 3HB ALA 8 3HB ALA 8 6.643 -8.223 2.114
60 H VAL 9 H VAL 9 3.814 -5.951 0.473
61 HA VAL 9 HA VAL 9 2.828 -7.253 -1.902
62 HB VAL 9 HB VAL 9 1.765 -4.899 -0.322
63 1HG1 VAL 9 1HG1 VAL 9 0.809 -4.701 -2.498
64 2HG1 VAL 9 2HG1 VAL 9 -0.398 -5.555 -1.536
65 3HG1 VAL 9 3HG1 VAL 9 0.631 -6.448 -2.658
66 1HG2 VAL 9 1HG2 VAL 9 0.736 -7.741 -0.464
67 2HG2 VAL 9 2HG2 VAL 9 0.337 -6.501 0.724
68 3HG2 VAL 9 3HG2 VAL 9 1.938 -7.240 0.724
69 1HN PF5 10 H PF5 10 3.859 -3.862 -1.308
70 HA PF5 10 HA PF5 10 3.752 -3.466 -4.262
71 1HB PF5 10 1HB PF5 10 3.614 -1.106 -3.812
72 2HB PF5 10 2HB PF5 10 4.033 -1.354 -2.112
73 H GLY 11 H GLY 11 5.954 -3.738 -1.613
74 1HA GLY 11 2HA GLY 11 8.311 -4.056 -1.866
75 2HA GLY 11 1HA GLY 11 8.194 -3.421 -3.507
76 H MET 12 H MET 12 6.564 -1.546 -1.151
77 HA MET 12 HA MET 12 8.923 0.188 -0.685
78 1HB MET 12 2HB MET 12 7.581 2.200 -1.391
79 2HB MET 12 1HB MET 12 8.000 1.121 -2.722
80 1HG MET 12 2HG MET 12 5.788 0.097 -2.647
81 2HG MET 12 1HG MET 12 5.360 1.060 -1.232
82 1HE MET 12 1HE MET 12 6.680 0.949 -4.643
83 2HE MET 12 2HE MET 12 6.119 2.376 -5.510
84 3HE MET 12 3HE MET 12 4.999 1.057 -5.181
85 H THR 13 H THR 13 8.419 1.876 0.975
86 HA THR 13 HA THR 13 6.850 0.717 3.132
87 HB THR 13 HB THR 13 7.441 2.971 4.245
88 HG1 THR 13 1HG THR 13 8.797 3.121 1.773
89 1HG2 THR 13 1HG2 THR 13 8.691 0.848 4.582
90 2HG2 THR 13 2HG2 THR 13 9.747 2.260 4.628
91 3HG2 THR 13 3HG2 THR 13 9.695 1.244 3.187
92 H ARG 14 H ARG 14 4.998 1.749 4.148
93 HA ARG 14 HA ARG 14 2.960 2.584 2.385
94 1HB ARG 14 2HB ARG 14 3.279 3.178 5.342
95 2HB ARG 14 1HB ARG 14 1.789 3.409 4.428
96 1HG ARG 14 2HG ARG 14 1.912 0.965 3.784
97 2HG ARG 14 1HG ARG 14 3.238 0.798 4.936
98 1HD ARG 14 2HD ARG 14 1.225 0.181 6.115
99 2HD ARG 14 1HD ARG 14 1.695 1.771 6.702
100 HE ARG 14 HE ARG 14 -0.038 2.284 4.577
101 1HH1 ARG 14 1HH2 ARG 14 -0.116 0.434 7.494
102 2HH1 ARG 14 2HH2 ARG 14 -1.814 0.669 7.750
103 1HH2 ARG 14 1HH1 ARG 14 -2.253 2.588 4.897
104 2HH2 ARG 14 2HH1 ARG 14 -3.020 1.888 6.282
105 H SER 15 H SER 15 5.506 4.445 3.928
106 HA SER 15 HA SER 15 4.378 7.044 3.723
107 1HB SER 15 2HB SER 15 7.287 6.294 3.299
108 2HB SER 15 1HB SER 15 6.670 7.878 3.758
109 HG SER 15 HG SER 15 6.335 5.478 5.244
110 H ALA 16 H ALA 16 6.215 5.131 1.348
111 HA ALA 16 HA ALA 16 6.052 7.191 -0.700
112 1HB ALA 16 1HB ALA 16 7.131 5.626 -2.121
113 2HB ALA 16 2HB ALA 16 6.528 4.250 -1.196
114 3HB ALA 16 3HB ALA 16 7.783 5.287 -0.518
115 H PHE 17 H PHE 17 4.354 4.113 -0.077
116 HA PHE 17 HA PHE 17 2.644 4.182 -2.346
117 1HB PHE 17 2HB PHE 17 2.969 2.290 -0.624
118 2HB PHE 17 1HB PHE 17 1.782 3.148 0.360
119 HD1 PHE 17 1HD PHE 17 2.313 1.744 -3.069
120 HD2 PHE 17 2HD PHE 17 -0.520 2.874 -0.043
121 HE1 PHE 17 1HE PHE 17 0.479 0.758 -4.417
122 HE2 PHE 17 2HE PHE 17 -2.353 1.889 -1.392
123 HZ PHE 17 HZ PHE 17 -1.854 0.831 -3.579
124 H ALA 18 H ALA 18 2.376 5.730 0.828
125 HA ALA 18 HA ALA 18 -0.305 6.639 0.641
126 1HB ALA 18 1HB ALA 18 0.411 8.440 2.203
127 2HB ALA 18 2HB ALA 18 2.094 7.999 1.908
128 3HB ALA 18 3HB ALA 18 1.010 6.857 2.703
129 H ASN 19 H ASN 19 2.477 7.531 -1.164
130 HA ASN 19 HA ASN 19 1.870 10.228 -1.834
131 1HB ASN 19 2HB ASN 19 3.205 8.088 -3.521
132 2HB ASN 19 1HB ASN 19 3.259 9.821 -3.846
133 1HD2 ASN 19 1HD2 ASN 19 3.216 9.473 -0.514
134 2HD2 ASN 19 2HD2 ASN 19 4.886 9.514 -0.219
135 H LEU 20 H LEU 20 0.624 7.178 -3.124
136 HA LEU 20 HA LEU 20 -0.682 8.277 -5.435
137 1HB LEU 20 2HB LEU 20 -1.478 5.853 -3.794
138 2HB LEU 20 1HB LEU 20 -1.959 6.189 -5.457
139 HG LEU 20 HG LEU 20 0.903 5.814 -4.529
140 1HD1 LEU 20 1HD1 LEU 20 -0.093 3.674 -4.398
141 2HD1 LEU 20 2HD1 LEU 20 0.618 3.709 -6.012
142 3HD1 LEU 20 3HD1 LEU 20 -1.115 3.969 -5.805
143 1HD2 LEU 20 1HD2 LEU 20 -0.419 6.439 -7.157
144 2HD2 LEU 20 2HD2 LEU 20 1.081 5.513 -7.138
145 3HD2 LEU 20 3HD2 LEU 20 1.039 7.138 -6.454
146 HA PRO 21 HA PRO 21 -4.185 10.539 -3.974
147 1HB PRO 21 2HB PRO 21 -5.752 8.585 -5.647
148 2HB PRO 21 1HB PRO 21 -5.907 10.353 -5.547
149 1HG PRO 21 2HG PRO 21 -4.641 9.278 -7.583
150 2HG PRO 21 1HG PRO 21 -3.981 10.721 -6.790
151 1HD PRO 21 2HD PRO 21 -3.035 7.884 -6.615
152 2HD PRO 21 1HD PRO 21 -2.094 9.390 -6.564
153 H LEU 22 H LEU 22 -5.553 10.382 -2.222
154 HA LEU 22 HA LEU 22 -5.481 8.143 -0.506
155 1HB LEU 22 2HB LEU 22 -7.574 10.330 -0.657
156 2HB LEU 22 1HB LEU 22 -7.312 9.261 0.721
157 HG LEU 22 HG LEU 22 -5.256 11.172 -0.432
158 1HD1 LEU 22 1HD1 LEU 22 -7.075 12.335 0.755
159 2HD1 LEU 22 2HD1 LEU 22 -5.585 12.393 1.698
160 3HD1 LEU 22 3HD1 LEU 22 -6.865 11.264 2.140
161 1HD2 LEU 22 1HD2 LEU 22 -4.255 10.502 1.941
162 2HD2 LEU 22 2HD2 LEU 22 -3.959 9.499 0.522
163 3HD2 LEU 22 3HD2 LEU 22 -5.210 9.044 1.677
164 H TRP 23 H TRP 23 -7.941 9.030 -2.923
165 HA TRP 23 HA TRP 23 -9.725 6.868 -2.188
166 1HB TRP 23 2HB TRP 23 -10.991 7.491 -4.141
167 2HB TRP 23 1HB TRP 23 -10.402 8.979 -3.399
168 HD1 TRP 23 HD TRP 23 -8.853 10.490 -4.794
169 HE1 TRP 23 1HE TRP 23 -7.844 10.346 -7.162
170 HE3 TRP 23 3HE TRP 23 -10.052 5.669 -5.973
171 HZ2 TRP 23 2HZ TRP 23 -7.580 8.438 -9.277
172 HZ3 TRP 23 3HZ TRP 23 -9.412 4.715 -8.168
173 HH2 TRP 23 HH TRP 23 -8.179 6.091 -9.821
174 H ARG 24 H ARG 24 -7.010 7.167 -4.397
175 HA ARG 24 HA ARG 24 -7.613 4.766 -5.905
176 1HB ARG 24 2HB ARG 24 -6.152 6.595 -6.761
177 2HB ARG 24 1HB ARG 24 -4.947 6.159 -5.547
178 1HG ARG 24 2HG ARG 24 -4.745 3.919 -6.495
179 2HG ARG 24 1HG ARG 24 -6.027 4.266 -7.656
180 1HD ARG 24 2HD ARG 24 -4.455 5.040 -9.066
181 2HD ARG 24 1HD ARG 24 -4.162 6.362 -7.933
182 HE ARG 24 HE ARG 24 -2.666 4.300 -6.882
183 1HH1 ARG 24 1HH2 ARG 24 -3.021 5.745 -9.991
184 2HH1 ARG 24 2HH2 ARG 24 -1.373 5.477 -10.452
185 1HH2 ARG 24 1HH1 ARG 24 -0.510 3.942 -7.464
186 2HH2 ARG 24 2HH1 ARG 24 0.049 4.456 -9.020
187 H GLN 25 H GLN 25 -5.266 5.448 -3.274
188 HA GLN 25 HA GLN 25 -4.092 2.927 -3.076
189 1HB GLN 25 2HB GLN 25 -3.954 3.419 -0.567
190 2HB GLN 25 1HB GLN 25 -3.266 4.634 -1.646
191 1HG GLN 25 2HG GLN 25 -5.346 5.954 -1.507
192 2HG GLN 25 1HG GLN 25 -6.050 4.739 -0.438
193 1HE2 GLN 25 1HE2 GLN 25 -3.400 7.130 -0.656
194 2HE2 GLN 25 2HE2 GLN 25 -3.187 7.286 1.021
195 H GLN 26 H GLN 26 -7.208 3.946 -1.627
196 HA GLN 26 HA GLN 26 -7.778 1.419 -0.397
197 1HB GLN 26 2HB GLN 26 -9.668 3.519 -1.504
198 2HB GLN 26 1HB GLN 26 -10.165 2.157 -0.501
199 1HG GLN 26 2HG GLN 26 -8.667 2.950 1.304
200 2HG GLN 26 1HG GLN 26 -8.208 4.329 0.305
201 1HE2 GLN 26 1HE2 GLN 26 -9.417 4.854 2.780
202 2HE2 GLN 26 2HE2 GLN 26 -10.992 5.436 2.538
203 H ASN 27 H ASN 27 -8.259 2.680 -3.651
204 HA ASN 27 HA ASN 27 -9.849 0.513 -4.660
205 1HB ASN 27 2HB ASN 27 -9.415 2.801 -5.742
206 2HB ASN 27 1HB ASN 27 -7.871 2.137 -6.277
207 1HD2 ASN 27 1HD2 ASN 27 -9.401 2.775 -8.380
208 2HD2 ASN 27 2HD2 ASN 27 -10.183 1.427 -9.054
209 H LEU 28 H LEU 28 -6.331 1.148 -4.902
210 HA LEU 28 HA LEU 28 -5.750 -1.413 -6.105
211 1HB LEU 28 2HB LEU 28 -3.886 0.416 -4.564
212 2HB LEU 28 1HB LEU 28 -3.412 -0.848 -5.697
213 HG LEU 28 HG LEU 28 -5.004 1.644 -6.373
214 1HD1 LEU 28 1HD1 LEU 28 -2.639 2.120 -5.997
215 2HD1 LEU 28 2HD1 LEU 28 -2.968 2.169 -7.729
216 3HD1 LEU 28 3HD1 LEU 28 -2.174 0.761 -7.023
217 1HD2 LEU 28 1HD2 LEU 28 -4.417 0.709 -8.756
218 2HD2 LEU 28 2HD2 LEU 28 -5.795 0.034 -7.885
219 3HD2 LEU 28 3HD2 LEU 28 -4.260 -0.833 -7.914
220 H ARG 29 H ARG 29 -5.885 -0.251 -2.766
221 HA ARG 29 HA ARG 29 -4.594 -2.598 -1.662
222 1HB ARG 29 2HB ARG 29 -6.241 -0.369 -0.466
223 2HB ARG 29 1HB ARG 29 -5.647 -1.716 0.508
224 1HG ARG 29 2HG ARG 29 -3.339 -1.217 -0.171
225 2HG ARG 29 1HG ARG 29 -3.912 0.102 -1.193
226 1HD ARG 29 2HD ARG 29 -4.298 -0.058 1.811
227 2HD ARG 29 1HD ARG 29 -3.082 0.923 0.999
228 HE ARG 29 HE ARG 29 -5.476 1.705 -0.171
229 1HH1 ARG 29 1HH2 ARG 29 -4.204 1.437 3.025
230 2HH1 ARG 29 2HH2 ARG 29 -5.145 2.751 3.649
231 1HH2 ARG 29 1HH1 ARG 29 -6.707 3.418 0.626
232 2HH2 ARG 29 2HH1 ARG 29 -6.561 3.873 2.290
233 H ARG 30 H ARG 30 -8.032 -1.614 -1.967
234 HA ARG 30 HA ARG 30 -9.012 -4.034 -0.727
235 1HB ARG 30 2HB ARG 30 -10.289 -1.963 -2.520
236 2HB ARG 30 1HB ARG 30 -11.178 -3.382 -1.960
237 1HG ARG 30 2HG ARG 30 -10.689 -2.759 0.382
238 2HG ARG 30 1HG ARG 30 -9.811 -1.337 -0.182
239 1HD ARG 30 2HD ARG 30 -12.747 -1.906 -0.688
240 2HD ARG 30 1HD ARG 30 -12.113 -0.742 0.473
241 HE ARG 30 HE ARG 30 -10.962 0.028 -1.925
242 1HH1 ARG 30 1HH2 ARG 30 -14.150 -0.629 -0.783
243 2HH1 ARG 30 2HH2 ARG 30 -14.907 0.510 -1.846
244 1HH2 ARG 30 1HH1 ARG 30 -11.931 1.516 -3.316
245 2HH2 ARG 30 2HH1 ARG 30 -13.650 1.726 -3.280
246 H GLU 31 H GLU 31 -8.130 -3.140 -4.016
247 HA GLU 31 HA GLU 31 -9.303 -5.343 -5.398
248 1HB GLU 31 2HB GLU 31 -8.200 -3.329 -6.461
249 2HB GLU 31 1HB GLU 31 -6.640 -4.030 -6.033
250 1HG GLU 31 2HG GLU 31 -7.252 -6.077 -7.325
251 2HG GLU 31 1HG GLU 31 -8.744 -5.279 -7.823
252 H ARG 32 H ARG 32 -6.552 -5.116 -3.283
253 HA ARG 32 HA ARG 32 -5.684 -7.859 -4.061
254 1HB ARG 32 2HB ARG 32 -4.294 -5.650 -2.530
255 2HB ARG 32 1HB ARG 32 -3.638 -7.279 -2.694
256 1HG ARG 32 2HG ARG 32 -3.667 -7.060 -5.143
257 2HG ARG 32 1HG ARG 32 -4.354 -5.442 -4.998
258 1HD ARG 32 2HD ARG 32 -2.298 -4.881 -3.557
259 2HD ARG 32 1HD ARG 32 -1.606 -6.384 -4.167
260 HE ARG 32 HE ARG 32 -1.764 -3.927 -5.634
261 1HH1 ARG 32 1HH2 ARG 32 -2.226 -7.334 -5.888
262 2HH1 ARG 32 2HH2 ARG 32 -1.863 -7.390 -7.581
263 1HH2 ARG 32 1HH1 ARG 32 -1.290 -3.981 -7.842
264 2HH2 ARG 32 2HH1 ARG 32 -1.334 -5.491 -8.687
265 H GLY 33 H GLY 33 -7.782 -6.555 -1.916
266 1HA GLY 33 2HA GLY 33 -8.833 -7.732 -0.123
267 2HA GLY 33 1HA GLY 33 -7.482 -8.866 -0.112
268 H LEU 34 H LEU 34 -7.033 -5.374 -0.013
269 HA LEU 34 HA LEU 34 -6.205 -5.647 2.850
270 1HB LEU 34 2HB LEU 34 -4.864 -3.913 0.754
271 2HB LEU 34 1HB LEU 34 -4.351 -4.126 2.428
272 HG LEU 34 HG LEU 34 -4.548 -6.395 0.432
273 1HD1 LEU 34 1HD1 LEU 34 -2.243 -4.609 1.227
274 2HD1 LEU 34 2HD1 LEU 34 -2.804 -5.006 -0.397
275 3HD1 LEU 34 3HD1 LEU 34 -1.984 -6.227 0.576
276 1HD2 LEU 34 1HD2 LEU 34 -3.561 -6.085 3.264
277 2HD2 LEU 34 2HD2 LEU 34 -2.922 -7.362 2.228
278 3HD2 LEU 34 3HD2 LEU 34 -4.646 -7.309 2.602
279 H PHE 35 H PHE 35 -6.868 -3.982 4.202
280 HA PHE 35 HA PHE 35 -8.224 -2.188 4.883
281 1HB PHE 35 2HB PHE 35 -6.977 -1.152 2.332
282 2HB PHE 35 1HB PHE 35 -8.022 -0.151 3.340
283 HD1 PHE 35 1HD PHE 35 -4.801 -1.947 3.166
284 HD2 PHE 35 2HD PHE 35 -7.316 0.600 5.540
285 HE1 PHE 35 1HE PHE 35 -2.893 -1.474 4.679
286 HE2 PHE 35 2HE PHE 35 -5.408 1.074 7.054
287 HZ PHE 35 HZ PHE 35 -3.197 0.036 6.623
Start of MODEL 6
1 1H LEU 1 1HT LEU 1 1.586 0.053 11.326
2 2H LEU 1 2HT LEU 1 2.167 -0.476 9.820
3 3H LEU 1 3HT LEU 1 3.146 -0.600 11.202
4 HA LEU 1 HA LEU 1 1.616 -2.202 12.174
5 1HB LEU 1 2HB LEU 1 0.227 -2.133 9.484
6 2HB LEU 1 1HB LEU 1 -0.271 -3.008 10.932
7 HG LEU 1 HG LEU 1 -0.138 0.009 10.654
8 1HD1 LEU 1 1HD1 LEU 1 -2.614 -0.159 10.864
9 2HD1 LEU 1 2HD1 LEU 1 -2.478 -1.916 10.810
10 3HD1 LEU 1 3HD1 LEU 1 -2.013 -0.952 9.409
11 1HD2 LEU 1 1HD2 LEU 1 0.292 -0.453 12.928
12 2HD2 LEU 1 2HD2 LEU 1 -0.771 -1.860 12.937
13 3HD2 LEU 1 3HD2 LEU 1 -1.458 -0.235 12.883
14 H SER 2 H SER 2 0.938 -3.891 9.520
15 HA SER 2 HA SER 2 3.339 -5.481 9.653
16 1HB SER 2 2HB SER 2 2.280 -6.913 8.143
17 2HB SER 2 1HB SER 2 0.902 -6.121 8.901
18 HG SER 2 HG SER 2 0.816 -4.706 7.147
19 H ASP 3 H ASP 3 4.440 -3.104 9.208
20 HA ASP 3 HA ASP 3 4.682 -2.164 6.549
21 1HB ASP 3 2HB ASP 3 6.762 -2.225 8.758
22 2HB ASP 3 1HB ASP 3 6.903 -1.280 7.274
23 H GLU 4 H GLU 4 6.210 -4.887 8.182
24 HA GLU 4 HA GLU 4 8.147 -5.455 6.125
25 1HB GLU 4 2HB GLU 4 8.085 -6.379 8.523
26 2HB GLU 4 1HB GLU 4 6.864 -7.509 7.936
27 1HG GLU 4 2HG GLU 4 8.985 -8.624 7.753
28 2HG GLU 4 1HG GLU 4 8.501 -8.173 6.117
29 H ASP 5 H ASP 5 4.957 -6.901 6.858
30 HA ASP 5 HA ASP 5 4.887 -8.508 4.470
31 1HB ASP 5 2HB ASP 5 3.460 -8.759 6.599
32 2HB ASP 5 1HB ASP 5 2.455 -7.472 5.933
33 H PHE 6 H PHE 6 3.537 -5.318 5.290
34 HA PHE 6 HA PHE 6 2.126 -4.798 2.911
35 1HB PHE 6 2HB PHE 6 2.064 -3.295 4.857
36 2HB PHE 6 1HB PHE 6 3.752 -2.860 4.586
37 HD1 PHE 6 1HD PHE 6 0.301 -2.510 3.356
38 HD2 PHE 6 2HD PHE 6 4.413 -1.459 2.693
39 HE1 PHE 6 1HE PHE 6 -0.406 -0.757 1.749
40 HE2 PHE 6 2HE PHE 6 3.706 0.293 1.085
41 HZ PHE 6 HZ PHE 6 1.297 0.643 0.613
42 H ARG 7 H ARG 7 5.483 -3.752 3.613
43 HA ARG 7 HA ARG 7 6.129 -2.750 1.090
44 1HB ARG 7 2HB ARG 7 7.598 -2.679 3.124
45 2HB ARG 7 1HB ARG 7 7.999 -4.373 2.842
46 1HG ARG 7 2HG ARG 7 8.864 -3.786 0.598
47 2HG ARG 7 1HG ARG 7 8.489 -2.089 0.906
48 1HD ARG 7 2HD ARG 7 9.952 -2.843 3.143
49 2HD ARG 7 1HD ARG 7 10.762 -3.682 1.824
50 HE ARG 7 HE ARG 7 11.053 -0.936 2.328
51 1HH1 ARG 7 1HH2 ARG 7 10.037 -3.008 -0.235
52 2HH1 ARG 7 2HH2 ARG 7 10.569 -1.937 -1.488
53 1HH2 ARG 7 1HH1 ARG 7 11.752 0.472 0.708
54 2HH2 ARG 7 2HH1 ARG 7 11.539 0.033 -0.954
55 H ALA 8 H ALA 8 6.029 -6.126 2.132
56 HA ALA 8 HA ALA 8 7.263 -7.210 -0.236
57 1HB ALA 8 1HB ALA 8 5.279 -8.536 1.633
58 2HB ALA 8 2HB ALA 8 7.017 -8.449 1.924
59 3HB ALA 8 3HB ALA 8 6.396 -9.353 0.542
60 H VAL 9 H VAL 9 3.992 -6.192 0.525
61 HA VAL 9 HA VAL 9 2.806 -7.613 -1.733
62 HB VAL 9 HB VAL 9 1.729 -5.455 0.097
63 1HG1 VAL 9 1HG1 VAL 9 -0.496 -6.281 -0.888
64 2HG1 VAL 9 2HG1 VAL 9 0.470 -6.991 -2.182
65 3HG1 VAL 9 3HG1 VAL 9 0.488 -5.246 -1.922
66 1HG2 VAL 9 1HG2 VAL 9 1.327 -8.457 -0.084
67 2HG2 VAL 9 2HG2 VAL 9 0.381 -7.393 0.957
68 3HG2 VAL 9 3HG2 VAL 9 2.115 -7.577 1.225
69 1HN PF5 10 H PF5 10 3.467 -4.138 -1.067
70 HA PF5 10 HA PF5 10 2.941 -3.624 -3.950
71 1HB PF5 10 1HB PF5 10 2.695 -1.299 -3.326
72 2HB PF5 10 2HB PF5 10 3.331 -1.623 -1.708
73 H GLY 11 H GLY 11 5.551 -4.131 -1.870
74 1HA GLY 11 2HA GLY 11 7.856 -4.035 -2.355
75 2HA GLY 11 1HA GLY 11 7.443 -3.433 -3.961
76 H MET 12 H MET 12 6.081 -1.763 -1.256
77 HA MET 12 HA MET 12 8.258 0.233 -1.199
78 1HB MET 12 2HB MET 12 6.599 0.764 -3.114
79 2HB MET 12 1HB MET 12 5.458 1.166 -1.830
80 1HG MET 12 2HG MET 12 6.929 2.861 -0.950
81 2HG MET 12 1HG MET 12 8.233 2.361 -2.026
82 1HE MET 12 1HE MET 12 4.327 4.475 -2.987
83 2HE MET 12 2HE MET 12 4.724 3.396 -1.653
84 3HE MET 12 3HE MET 12 4.307 2.722 -3.226
85 H THR 13 H THR 13 7.857 1.868 0.532
86 HA THR 13 HA THR 13 6.679 0.579 2.873
87 HB THR 13 HB THR 13 7.327 2.873 3.917
88 HG1 THR 13 1HG THR 13 8.977 3.063 1.666
89 1HG2 THR 13 1HG2 THR 13 9.425 1.089 2.652
90 2HG2 THR 13 2HG2 THR 13 8.634 0.807 4.203
91 3HG2 THR 13 3HG2 THR 13 9.700 2.196 3.997
92 H ARG 14 H ARG 14 4.903 1.426 4.106
93 HA ARG 14 HA ARG 14 2.688 2.374 2.588
94 1HB ARG 14 2HB ARG 14 3.170 2.544 5.579
95 2HB ARG 14 1HB ARG 14 1.613 2.780 4.786
96 1HG ARG 14 2HG ARG 14 1.879 0.461 3.794
97 2HG ARG 14 1HG ARG 14 3.272 0.247 4.855
98 1HD ARG 14 2HD ARG 14 0.431 0.840 5.746
99 2HD ARG 14 1HD ARG 14 1.280 -0.687 5.930
100 HE ARG 14 HE ARG 14 2.934 1.141 7.198
101 1HH1 ARG 14 1HH2 ARG 14 -0.423 0.332 7.354
102 2HH1 ARG 14 2HH2 ARG 14 -0.564 0.694 9.042
103 1HH2 ARG 14 1HH1 ARG 14 2.757 1.623 9.397
104 2HH2 ARG 14 2HH1 ARG 14 1.234 1.422 10.196
105 H SER 15 H SER 15 5.259 4.084 4.265
106 HA SER 15 HA SER 15 4.011 6.626 4.536
107 1HB SER 15 2HB SER 15 6.243 7.541 4.690
108 2HB SER 15 1HB SER 15 6.263 5.964 5.474
109 HG SER 15 HG SER 15 7.873 6.701 3.647
110 H ALA 16 H ALA 16 6.014 5.356 1.860
111 HA ALA 16 HA ALA 16 5.510 7.666 0.177
112 1HB ALA 16 1HB ALA 16 7.434 5.850 0.090
113 2HB ALA 16 2HB ALA 16 6.859 6.607 -1.395
114 3HB ALA 16 3HB ALA 16 6.291 4.998 -0.948
115 H PHE 17 H PHE 17 3.990 4.534 0.674
116 HA PHE 17 HA PHE 17 2.408 4.383 -1.671
117 1HB PHE 17 2HB PHE 17 2.656 2.680 0.273
118 2HB PHE 17 1HB PHE 17 1.352 3.586 1.041
119 HD1 PHE 17 1HD PHE 17 2.273 1.811 -2.116
120 HD2 PHE 17 2HD PHE 17 -0.896 3.232 0.412
121 HE1 PHE 17 1HE PHE 17 0.614 0.620 -3.525
122 HE2 PHE 17 2HE PHE 17 -2.554 2.042 -0.997
123 HZ PHE 17 HZ PHE 17 -1.798 0.736 -2.965
124 H ALA 18 H ALA 18 1.982 6.269 1.282
125 HA ALA 18 HA ALA 18 -0.716 7.104 0.798
126 1HB ALA 18 1HB ALA 18 1.567 8.419 2.298
127 2HB ALA 18 2HB ALA 18 0.249 7.466 2.980
128 3HB ALA 18 3HB ALA 18 -0.078 9.054 2.287
129 H ASN 19 H ASN 19 2.207 7.838 -0.802
130 HA ASN 19 HA ASN 19 1.694 10.525 -1.646
131 1HB ASN 19 2HB ASN 19 3.233 8.325 -3.058
132 2HB ASN 19 1HB ASN 19 3.329 10.045 -3.434
133 1HD2 ASN 19 1HD2 ASN 19 5.664 8.661 -2.608
134 2HD2 ASN 19 2HD2 ASN 19 6.109 9.205 -1.062
135 H LEU 20 H LEU 20 0.651 7.394 -2.925
136 HA LEU 20 HA LEU 20 -0.379 8.372 -5.427
137 1HB LEU 20 2HB LEU 20 -1.406 6.005 -3.837
138 2HB LEU 20 1HB LEU 20 -1.520 6.250 -5.580
139 HG LEU 20 HG LEU 20 1.082 5.979 -4.047
140 1HD1 LEU 20 1HD1 LEU 20 -0.603 4.017 -5.604
141 2HD1 LEU 20 2HD1 LEU 20 0.086 3.832 -3.990
142 3HD1 LEU 20 3HD1 LEU 20 1.133 3.782 -5.407
143 1HD2 LEU 20 1HD2 LEU 20 1.554 7.215 -5.998
144 2HD2 LEU 20 2HD2 LEU 20 0.345 6.350 -6.948
145 3HD2 LEU 20 3HD2 LEU 20 1.852 5.552 -6.501
146 HA PRO 21 HA PRO 21 -4.077 10.603 -4.524
147 1HB PRO 21 2HB PRO 21 -5.399 8.497 -6.226
148 2HB PRO 21 1HB PRO 21 -5.619 10.260 -6.252
149 1HG PRO 21 2HG PRO 21 -4.106 9.118 -8.070
150 2HG PRO 21 1HG PRO 21 -3.582 10.628 -7.302
151 1HD PRO 21 2HD PRO 21 -2.566 7.847 -6.859
152 2HD PRO 21 1HD PRO 21 -1.690 9.390 -6.783
153 H LEU 22 H LEU 22 -5.479 10.522 -2.820
154 HA LEU 22 HA LEU 22 -5.586 8.412 -0.994
155 1HB LEU 22 2HB LEU 22 -6.328 10.739 -0.538
156 2HB LEU 22 1HB LEU 22 -7.776 10.448 -1.502
157 HG LEU 22 HG LEU 22 -8.352 8.551 0.029
158 1HD1 LEU 22 1HD1 LEU 22 -6.385 7.834 1.043
159 2HD1 LEU 22 2HD1 LEU 22 -7.064 8.837 2.325
160 3HD1 LEU 22 3HD1 LEU 22 -5.790 9.476 1.285
161 1HD2 LEU 22 1HD2 LEU 22 -7.969 11.312 1.222
162 2HD2 LEU 22 2HD2 LEU 22 -8.920 10.045 1.996
163 3HD2 LEU 22 3HD2 LEU 22 -9.414 10.683 0.428
164 H TRP 23 H TRP 23 -7.929 9.095 -3.609
165 HA TRP 23 HA TRP 23 -9.649 6.884 -2.940
166 1HB TRP 23 2HB TRP 23 -10.734 7.320 -5.054
167 2HB TRP 23 1HB TRP 23 -10.305 8.873 -4.336
168 HD1 TRP 23 HD TRP 23 -8.568 10.360 -5.565
169 HE1 TRP 23 1HE TRP 23 -7.353 10.179 -7.833
170 HE3 TRP 23 3HE TRP 23 -9.689 5.529 -6.783
171 HZ2 TRP 23 2HZ TRP 23 -6.915 8.239 -9.891
172 HZ3 TRP 23 3HZ TRP 23 -8.861 4.542 -8.899
173 HH2 TRP 23 HH TRP 23 -7.477 5.889 -10.454
174 H ARG 24 H ARG 24 -6.932 7.225 -5.210
175 HA ARG 24 HA ARG 24 -7.233 4.690 -6.483
176 1HB ARG 24 2HB ARG 24 -5.753 6.501 -7.320
177 2HB ARG 24 1HB ARG 24 -4.666 6.212 -5.961
178 1HG ARG 24 2HG ARG 24 -4.288 3.914 -6.707
179 2HG ARG 24 1HG ARG 24 -5.439 4.131 -8.026
180 1HD ARG 24 2HD ARG 24 -3.758 4.894 -9.307
181 2HD ARG 24 1HD ARG 24 -3.603 6.274 -8.217
182 HE ARG 24 HE ARG 24 -2.192 4.299 -6.917
183 1HH1 ARG 24 1HH2 ARG 24 -2.248 5.579 -10.117
184 2HH1 ARG 24 2HH2 ARG 24 -0.558 5.320 -10.394
185 1HH2 ARG 24 1HH1 ARG 24 0.018 3.954 -7.259
186 2HH2 ARG 24 2HH1 ARG 24 0.726 4.400 -8.774
187 H GLN 25 H GLN 25 -5.325 5.613 -3.598
188 HA GLN 25 HA GLN 25 -4.008 3.186 -3.148
189 1HB GLN 25 2HB GLN 25 -5.245 5.030 -1.085
190 2HB GLN 25 1HB GLN 25 -4.062 3.769 -0.731
191 1HG GLN 25 2HG GLN 25 -2.396 4.850 -2.125
192 2HG GLN 25 1HG GLN 25 -3.575 6.033 -2.691
193 1HE2 GLN 25 1HE2 GLN 25 -3.744 5.073 0.664
194 2HE2 GLN 25 2HE2 GLN 25 -3.089 6.498 1.312
195 H GLN 26 H GLN 26 -7.369 4.027 -2.252
196 HA GLN 26 HA GLN 26 -7.914 1.504 -0.969
197 1HB GLN 26 2HB GLN 26 -9.786 3.455 -2.347
198 2HB GLN 26 1HB GLN 26 -10.311 2.088 -1.365
199 1HG GLN 26 2HG GLN 26 -9.146 3.008 0.587
200 2HG GLN 26 1HG GLN 26 -8.551 4.353 -0.385
201 1HE2 GLN 26 1HE2 GLN 26 -10.219 4.762 1.933
202 2HE2 GLN 26 2HE2 GLN 26 -11.702 5.400 1.406
203 H ASN 27 H ASN 27 -8.132 2.669 -4.292
204 HA ASN 27 HA ASN 27 -9.464 0.426 -5.440
205 1HB ASN 27 2HB ASN 27 -8.930 2.668 -6.544
206 2HB ASN 27 1HB ASN 27 -7.296 2.053 -6.791
207 1HD2 ASN 27 1HD2 ASN 27 -6.993 0.964 -8.738
208 2HD2 ASN 27 2HD2 ASN 27 -8.226 0.232 -9.647
209 H LEU 28 H LEU 28 -5.956 1.114 -5.207
210 HA LEU 28 HA LEU 28 -5.166 -1.479 -6.193
211 1HB LEU 28 2HB LEU 28 -3.562 0.382 -4.420
212 2HB LEU 28 1HB LEU 28 -2.934 -0.858 -5.503
213 HG LEU 28 HG LEU 28 -4.406 1.666 -6.310
214 1HD1 LEU 28 1HD1 LEU 28 -2.205 2.063 -7.511
215 2HD1 LEU 28 2HD1 LEU 28 -1.553 0.693 -6.612
216 3HD1 LEU 28 3HD1 LEU 28 -2.110 2.128 -5.751
217 1HD2 LEU 28 1HD2 LEU 28 -3.664 0.765 -8.646
218 2HD2 LEU 28 2HD2 LEU 28 -5.105 0.075 -7.899
219 3HD2 LEU 28 3HD2 LEU 28 -3.574 -0.797 -7.835
220 H ARG 29 H ARG 29 -5.824 -0.200 -2.959
221 HA ARG 29 HA ARG 29 -4.792 -2.616 -1.663
222 1HB ARG 29 2HB ARG 29 -6.273 -0.194 -0.623
223 2HB ARG 29 1HB ARG 29 -5.774 -1.538 0.408
224 1HG ARG 29 2HG ARG 29 -3.423 -1.207 -0.357
225 2HG ARG 29 1HG ARG 29 -3.950 0.199 -1.283
226 1HD ARG 29 2HD ARG 29 -4.270 -0.120 1.716
227 2HD ARG 29 1HD ARG 29 -3.018 0.840 0.929
228 HE ARG 29 HE ARG 29 -5.381 1.829 -0.130
229 1HH1 ARG 29 1HH2 ARG 29 -4.086 1.274 3.020
230 2HH1 ARG 29 2HH2 ARG 29 -4.943 2.591 3.746
231 1HH2 ARG 29 1HH1 ARG 29 -6.504 3.548 0.802
232 2HH2 ARG 29 2HH1 ARG 29 -6.312 3.879 2.490
233 H ARG 30 H ARG 30 -8.049 -1.213 -2.221
234 HA ARG 30 HA ARG 30 -9.475 -3.303 -0.902
235 1HB ARG 30 2HB ARG 30 -10.468 -1.122 -1.687
236 2HB ARG 30 1HB ARG 30 -10.424 -1.757 -3.332
237 1HG ARG 30 2HG ARG 30 -11.858 -3.638 -2.666
238 2HG ARG 30 1HG ARG 30 -11.870 -3.053 -1.002
239 1HD ARG 30 2HD ARG 30 -12.940 -1.545 -3.405
240 2HD ARG 30 1HD ARG 30 -13.917 -2.356 -2.182
241 HE ARG 30 HE ARG 30 -12.342 -0.617 -0.714
242 1HH1 ARG 30 1HH2 ARG 30 -14.437 -0.382 -3.444
243 2HH1 ARG 30 2HH2 ARG 30 -14.934 1.239 -3.087
244 1HH2 ARG 30 1HH1 ARG 30 -12.979 1.494 -0.235
245 2HH2 ARG 30 2HH1 ARG 30 -14.108 2.301 -1.271
246 H GLU 31 H GLU 31 -8.429 -2.969 -4.294
247 HA GLU 31 HA GLU 31 -9.556 -5.446 -5.207
248 1HB GLU 31 2HB GLU 31 -7.188 -3.813 -6.170
249 2HB GLU 31 1HB GLU 31 -7.775 -5.246 -7.012
250 1HG GLU 31 2HG GLU 31 -9.996 -4.199 -7.254
251 2HG GLU 31 1HG GLU 31 -9.410 -2.765 -6.409
252 H ARG 32 H ARG 32 -6.937 -4.748 -3.126
253 HA ARG 32 HA ARG 32 -5.521 -7.274 -3.696
254 1HB ARG 32 2HB ARG 32 -4.434 -5.000 -3.074
255 2HB ARG 32 1HB ARG 32 -4.897 -5.406 -1.420
256 1HG ARG 32 2HG ARG 32 -2.740 -6.311 -1.581
257 2HG ARG 32 1HG ARG 32 -3.767 -7.703 -1.927
258 1HD ARG 32 2HD ARG 32 -3.463 -6.525 -4.416
259 2HD ARG 32 1HD ARG 32 -1.877 -6.304 -3.677
260 HE ARG 32 HE ARG 32 -2.764 -8.746 -4.729
261 1HH1 ARG 32 1HH2 ARG 32 -1.634 -7.467 -1.734
262 2HH1 ARG 32 2HH2 ARG 32 -0.927 -8.959 -1.210
263 1HH2 ARG 32 1HH1 ARG 32 -1.847 -10.702 -4.063
264 2HH2 ARG 32 2HH1 ARG 32 -1.049 -10.790 -2.529
265 H GLY 33 H GLY 33 -8.088 -6.244 -1.692
266 1HA GLY 33 2HA GLY 33 -9.348 -7.758 -0.308
267 2HA GLY 33 1HA GLY 33 -7.940 -8.817 -0.231
268 H LEU 34 H LEU 34 -6.763 -5.781 0.281
269 HA LEU 34 HA LEU 34 -6.914 -6.162 3.239
270 1HB LEU 34 2HB LEU 34 -4.948 -4.429 1.726
271 2HB LEU 34 1HB LEU 34 -4.834 -4.984 3.396
272 HG LEU 34 HG LEU 34 -4.757 -6.760 0.938
273 1HD1 LEU 34 1HD1 LEU 34 -2.612 -5.905 2.905
274 2HD1 LEU 34 2HD1 LEU 34 -2.694 -5.480 1.196
275 3HD1 LEU 34 3HD1 LEU 34 -2.402 -7.152 1.676
276 1HD2 LEU 34 1HD2 LEU 34 -5.717 -8.059 2.664
277 2HD2 LEU 34 2HD2 LEU 34 -4.732 -7.292 3.909
278 3HD2 LEU 34 3HD2 LEU 34 -3.997 -8.428 2.779
279 H PHE 35 H PHE 35 -7.010 -4.124 4.538
280 HA PHE 35 HA PHE 35 -8.171 -2.154 5.082
281 1HB PHE 35 2HB PHE 35 -7.171 -1.565 2.288
282 2HB PHE 35 1HB PHE 35 -8.011 -0.362 3.266
283 HD1 PHE 35 1HD PHE 35 -4.982 -2.475 3.012
284 HD2 PHE 35 2HD PHE 35 -6.965 0.647 5.196
285 HE1 PHE 35 1HE PHE 35 -2.871 -1.975 4.214
286 HE2 PHE 35 2HE PHE 35 -4.854 1.146 6.399
287 HZ PHE 35 HZ PHE 35 -2.807 -0.165 5.907
Start of MODEL 7
1 1H LEU 1 1HT LEU 1 0.070 -0.435 9.239
2 2H LEU 1 2HT LEU 1 1.700 -0.702 9.636
3 3H LEU 1 3HT LEU 1 0.641 -0.030 10.783
4 HA LEU 1 HA LEU 1 0.341 -2.074 11.562
5 1HB LEU 1 2HB LEU 1 -1.033 -2.220 8.876
6 2HB LEU 1 1HB LEU 1 -1.100 -3.558 10.023
7 HG LEU 1 HG LEU 1 -1.994 -1.996 11.745
8 1HD1 LEU 1 1HD1 LEU 1 -1.727 -0.069 9.441
9 2HD1 LEU 1 2HD1 LEU 1 -1.198 0.131 11.112
10 3HD1 LEU 1 3HD1 LEU 1 -2.915 0.205 10.715
11 1HD2 LEU 1 1HD2 LEU 1 -4.227 -1.903 10.848
12 2HD2 LEU 1 2HD2 LEU 1 -3.463 -3.340 10.167
13 3HD2 LEU 1 3HD2 LEU 1 -3.622 -1.880 9.191
14 H SER 2 H SER 2 0.170 -3.994 8.816
15 HA SER 2 HA SER 2 2.613 -5.391 9.485
16 1HB SER 2 2HB SER 2 1.984 -6.941 7.842
17 2HB SER 2 1HB SER 2 0.431 -6.280 8.345
18 HG SER 2 HG SER 2 0.975 -4.666 6.559
19 H ASP 3 H ASP 3 3.759 -3.101 9.210
20 HA ASP 3 HA ASP 3 4.341 -2.052 6.649
21 1HB ASP 3 2HB ASP 3 6.164 -2.226 9.071
22 2HB ASP 3 1HB ASP 3 6.419 -1.173 7.680
23 H GLU 4 H GLU 4 5.638 -4.858 8.334
24 HA GLU 4 HA GLU 4 7.820 -5.336 6.500
25 1HB GLU 4 2HB GLU 4 7.500 -6.334 8.848
26 2HB GLU 4 1HB GLU 4 6.365 -7.455 8.093
27 1HG GLU 4 2HG GLU 4 8.506 -8.548 8.115
28 2HG GLU 4 1HG GLU 4 8.205 -8.047 6.450
29 H ASP 5 H ASP 5 4.620 -6.904 6.852
30 HA ASP 5 HA ASP 5 4.849 -8.358 4.369
31 1HB ASP 5 2HB ASP 5 3.277 -8.822 6.372
32 2HB ASP 5 1HB ASP 5 2.236 -7.584 5.669
33 H PHE 6 H PHE 6 3.249 -5.316 5.292
34 HA PHE 6 HA PHE 6 1.956 -4.691 2.885
35 1HB PHE 6 2HB PHE 6 1.757 -3.294 4.890
36 2HB PHE 6 1HB PHE 6 3.450 -2.818 4.746
37 HD1 PHE 6 1HD PHE 6 0.062 -2.372 3.429
38 HD2 PHE 6 2HD PHE 6 4.205 -1.374 2.886
39 HE1 PHE 6 1HE PHE 6 -0.581 -0.541 1.885
40 HE2 PHE 6 2HE PHE 6 3.562 0.457 1.341
41 HZ PHE 6 HZ PHE 6 1.168 0.874 0.841
42 H ARG 7 H ARG 7 5.258 -3.618 3.786
43 HA ARG 7 HA ARG 7 5.984 -2.461 1.349
44 1HB ARG 7 2HB ARG 7 7.382 -2.426 3.405
45 2HB ARG 7 1HB ARG 7 7.782 -4.124 3.143
46 1HG ARG 7 2HG ARG 7 8.848 -3.597 1.022
47 2HG ARG 7 1HG ARG 7 8.335 -1.913 1.143
48 1HD ARG 7 2HD ARG 7 10.630 -2.000 1.858
49 2HD ARG 7 1HD ARG 7 9.648 -1.773 3.303
50 HE ARG 7 HE ARG 7 9.920 -4.529 3.094
51 1HH1 ARG 7 1HH2 ARG 7 12.023 -1.797 3.159
52 2HH1 ARG 7 2HH2 ARG 7 13.328 -2.655 3.906
53 1HH2 ARG 7 1HH1 ARG 7 11.610 -5.662 4.067
54 2HH2 ARG 7 2HH1 ARG 7 13.095 -4.844 4.421
55 H ALA 8 H ALA 8 5.975 -5.894 2.219
56 HA ALA 8 HA ALA 8 7.290 -6.805 -0.177
57 1HB ALA 8 1HB ALA 8 5.299 -8.362 1.486
58 2HB ALA 8 2HB ALA 8 6.974 -8.118 1.981
59 3HB ALA 8 3HB ALA 8 6.612 -9.005 0.500
60 H VAL 9 H VAL 9 3.950 -6.014 0.594
61 HA VAL 9 HA VAL 9 2.810 -7.359 -1.697
62 HB VAL 9 HB VAL 9 1.739 -5.122 0.041
63 1HG1 VAL 9 1HG1 VAL 9 0.546 -5.003 -2.025
64 2HG1 VAL 9 2HG1 VAL 9 -0.480 -5.942 -0.940
65 3HG1 VAL 9 3HG1 VAL 9 0.483 -6.759 -2.171
66 1HG2 VAL 9 1HG2 VAL 9 1.009 -8.063 -0.034
67 2HG2 VAL 9 2HG2 VAL 9 0.530 -6.868 1.174
68 3HG2 VAL 9 3HG2 VAL 9 2.209 -7.400 1.075
69 1HN PF5 10 H PF5 10 3.535 -3.885 -1.092
70 HA PF5 10 HA PF5 10 3.125 -3.438 -4.009
71 1HB PF5 10 1HB PF5 10 2.868 -1.099 -3.459
72 2HB PF5 10 2HB PF5 10 3.442 -1.378 -1.809
73 H GLY 11 H GLY 11 5.633 -3.889 -1.781
74 1HA GLY 11 2HA GLY 11 7.956 -3.892 -2.227
75 2HA GLY 11 1HA GLY 11 7.610 -3.237 -3.827
76 H MET 12 H MET 12 6.163 -1.570 -1.188
77 HA MET 12 HA MET 12 8.411 0.322 -0.910
78 1HB MET 12 2HB MET 12 6.765 2.241 -1.448
79 2HB MET 12 1HB MET 12 7.426 1.336 -2.812
80 1HG MET 12 2HG MET 12 5.401 -0.067 -2.874
81 2HG MET 12 1HG MET 12 4.738 0.822 -1.503
82 1HE MET 12 1HE MET 12 6.533 1.571 -4.961
83 2HE MET 12 2HE MET 12 5.101 2.052 -5.867
84 3HE MET 12 3HE MET 12 5.176 0.450 -5.137
85 H THR 13 H THR 13 8.064 1.814 0.883
86 HA THR 13 HA THR 13 6.558 0.600 3.047
87 HB THR 13 HB THR 13 7.254 2.772 4.244
88 HG1 THR 13 1HG THR 13 7.509 3.924 2.243
89 1HG2 THR 13 1HG2 THR 13 9.359 1.012 2.958
90 2HG2 THR 13 2HG2 THR 13 8.507 0.676 4.465
91 3HG2 THR 13 3HG2 THR 13 9.620 2.041 4.367
92 H ARG 14 H ARG 14 4.822 1.695 4.244
93 HA ARG 14 HA ARG 14 2.683 2.593 2.639
94 1HB ARG 14 2HB ARG 14 3.249 3.123 5.570
95 2HB ARG 14 1HB ARG 14 1.710 3.470 4.782
96 1HG ARG 14 2HG ARG 14 1.541 1.071 4.123
97 2HG ARG 14 1HG ARG 14 3.030 0.748 5.011
98 1HD ARG 14 2HD ARG 14 1.953 1.574 7.094
99 2HD ARG 14 1HD ARG 14 0.467 1.857 6.200
100 HE ARG 14 HE ARG 14 1.375 -0.693 7.202
101 1HH1 ARG 14 1HH2 ARG 14 -0.167 0.871 4.532
102 2HH1 ARG 14 2HH2 ARG 14 -1.018 -0.551 4.026
103 1HH2 ARG 14 1HH1 ARG 14 0.262 -2.548 6.553
104 2HH2 ARG 14 2HH1 ARG 14 -0.774 -2.482 5.167
105 H SER 15 H SER 15 5.378 4.382 4.005
106 HA SER 15 HA SER 15 4.258 7.009 3.819
107 1HB SER 15 2HB SER 15 7.162 6.229 3.416
108 2HB SER 15 1HB SER 15 6.552 7.814 3.883
109 HG SER 15 HG SER 15 5.515 6.402 5.659
110 H ALA 16 H ALA 16 6.176 5.098 1.494
111 HA ALA 16 HA ALA 16 5.995 7.122 -0.581
112 1HB ALA 16 1HB ALA 16 6.944 4.283 -0.420
113 2HB ALA 16 2HB ALA 16 7.823 5.726 -0.927
114 3HB ALA 16 3HB ALA 16 6.640 4.988 -2.008
115 H PHE 17 H PHE 17 4.311 4.053 0.094
116 HA PHE 17 HA PHE 17 2.645 4.038 -2.211
117 1HB PHE 17 2HB PHE 17 2.931 2.178 -0.486
118 2HB PHE 17 1HB PHE 17 1.804 3.073 0.533
119 HD1 PHE 17 1HD PHE 17 2.149 1.711 -2.942
120 HD2 PHE 17 2HD PHE 17 -0.503 2.754 0.273
121 HE1 PHE 17 1HE PHE 17 0.242 0.753 -4.204
122 HE2 PHE 17 2HE PHE 17 -2.410 1.796 -0.990
123 HZ PHE 17 HZ PHE 17 -2.038 0.795 -3.228
124 H ALA 18 H ALA 18 2.269 5.636 0.935
125 HA ALA 18 HA ALA 18 -0.398 6.561 0.604
126 1HB ALA 18 1HB ALA 18 1.907 7.974 1.986
127 2HB ALA 18 2HB ALA 18 0.885 6.742 2.726
128 3HB ALA 18 3HB ALA 18 0.191 8.290 2.248
129 H ASN 19 H ASN 19 2.461 7.388 -1.081
130 HA ASN 19 HA ASN 19 1.945 10.108 -1.761
131 1HB ASN 19 2HB ASN 19 4.083 8.849 -2.200
132 2HB ASN 19 1HB ASN 19 3.259 8.021 -3.523
133 1HD2 ASN 19 1HD2 ASN 19 3.999 11.358 -2.371
134 2HD2 ASN 19 2HD2 ASN 19 4.107 12.028 -3.926
135 H LEU 20 H LEU 20 0.709 7.084 -3.119
136 HA LEU 20 HA LEU 20 -0.459 8.204 -5.491
137 1HB LEU 20 2HB LEU 20 -1.434 5.815 -3.897
138 2HB LEU 20 1HB LEU 20 -1.750 6.145 -5.601
139 HG LEU 20 HG LEU 20 1.004 5.702 -4.410
140 1HD1 LEU 20 1HD1 LEU 20 -0.050 3.591 -4.340
141 2HD1 LEU 20 2HD1 LEU 20 0.787 3.584 -5.894
142 3HD1 LEU 20 3HD1 LEU 20 -0.948 3.892 -5.827
143 1HD2 LEU 20 1HD2 LEU 20 -0.056 6.290 -7.167
144 2HD2 LEU 20 2HD2 LEU 20 1.432 5.366 -6.973
145 3HD2 LEU 20 3HD2 LEU 20 1.325 7.006 -6.336
146 HA PRO 21 HA PRO 21 -3.981 10.555 -4.249
147 1HB PRO 21 2HB PRO 21 -5.519 8.562 -5.906
148 2HB PRO 21 1HB PRO 21 -5.663 10.333 -5.864
149 1HG PRO 21 2HG PRO 21 -4.342 9.187 -7.824
150 2HG PRO 21 1HG PRO 21 -3.694 10.650 -7.055
151 1HD PRO 21 2HD PRO 21 -2.772 7.815 -6.772
152 2HD PRO 21 1HD PRO 21 -1.826 9.318 -6.716
153 H LEU 22 H LEU 22 -5.233 10.478 -2.436
154 HA LEU 22 HA LEU 22 -5.302 8.318 -0.670
155 1HB LEU 22 2HB LEU 22 -5.908 10.657 -0.091
156 2HB LEU 22 1HB LEU 22 -7.432 10.457 -0.955
157 HG LEU 22 HG LEU 22 -7.986 8.544 0.558
158 1HD1 LEU 22 1HD1 LEU 22 -5.290 9.291 1.636
159 2HD1 LEU 22 2HD1 LEU 22 -5.993 7.692 1.395
160 3HD1 LEU 22 3HD1 LEU 22 -6.512 8.687 2.755
161 1HD2 LEU 22 1HD2 LEU 22 -8.391 9.969 2.579
162 2HD2 LEU 22 2HD2 LEU 22 -8.861 10.762 1.075
163 3HD2 LEU 22 3HD2 LEU 22 -7.351 11.206 1.871
164 H TRP 23 H TRP 23 -7.817 9.182 -3.065
165 HA TRP 23 HA TRP 23 -9.564 7.014 -2.326
166 1HB TRP 23 2HB TRP 23 -10.807 7.572 -4.317
167 2HB TRP 23 1HB TRP 23 -10.245 9.081 -3.597
168 HD1 TRP 23 HD TRP 23 -8.552 10.527 -4.935
169 HE1 TRP 23 1HE TRP 23 -7.554 10.366 -7.307
170 HE3 TRP 23 3HE TRP 23 -10.009 5.796 -6.184
171 HZ2 TRP 23 2HZ TRP 23 -7.395 8.477 -9.450
172 HZ3 TRP 23 3HZ TRP 23 -9.423 4.841 -8.394
173 HH2 TRP 23 HH TRP 23 -8.118 6.174 -10.027
174 H ARG 24 H ARG 24 -7.053 7.342 -4.830
175 HA ARG 24 HA ARG 24 -7.556 4.873 -6.156
176 1HB ARG 24 2HB ARG 24 -6.065 6.651 -7.040
177 2HB ARG 24 1HB ARG 24 -4.890 6.264 -5.782
178 1HG ARG 24 2HG ARG 24 -4.673 3.984 -6.638
179 2HG ARG 24 1HG ARG 24 -5.912 4.299 -7.853
180 1HD ARG 24 2HD ARG 24 -4.299 5.033 -9.236
181 2HD ARG 24 1HD ARG 24 -4.012 6.373 -8.121
182 HE ARG 24 HE ARG 24 -2.579 4.319 -6.984
183 1HH1 ARG 24 1HH2 ARG 24 -2.835 5.668 -10.145
184 2HH1 ARG 24 2HH2 ARG 24 -1.184 5.353 -10.560
185 1HH2 ARG 24 1HH1 ARG 24 -0.418 3.899 -7.506
186 2HH2 ARG 24 2HH1 ARG 24 0.186 4.351 -9.064
187 H GLN 25 H GLN 25 -5.403 5.593 -3.389
188 HA GLN 25 HA GLN 25 -4.162 3.098 -3.138
189 1HB GLN 25 2HB GLN 25 -5.158 4.906 -0.921
190 2HB GLN 25 1HB GLN 25 -4.016 3.578 -0.701
191 1HG GLN 25 2HG GLN 25 -2.412 4.636 -2.195
192 2HG GLN 25 1HG GLN 25 -3.565 5.912 -2.587
193 1HE2 GLN 25 1HE2 GLN 25 -2.122 7.570 -1.705
194 2HE2 GLN 25 2HE2 GLN 25 -1.906 7.742 -0.030
195 H GLN 26 H GLN 26 -7.405 4.037 -1.955
196 HA GLN 26 HA GLN 26 -7.973 1.507 -0.711
197 1HB GLN 26 2HB GLN 26 -9.855 3.541 -1.948
198 2HB GLN 26 1HB GLN 26 -10.364 2.181 -0.946
199 1HG GLN 26 2HG GLN 26 -9.041 3.043 0.934
200 2HG GLN 26 1HG GLN 26 -8.476 4.384 -0.064
201 1HE2 GLN 26 1HE2 GLN 26 -9.973 4.812 2.364
202 2HE2 GLN 26 2HE2 GLN 26 -11.470 5.493 1.944
203 H ASN 27 H ASN 27 -8.327 2.739 -3.997
204 HA ASN 27 HA ASN 27 -9.802 0.544 -5.086
205 1HB ASN 27 2HB ASN 27 -9.335 2.801 -6.182
206 2HB ASN 27 1HB ASN 27 -7.724 2.187 -6.558
207 1HD2 ASN 27 1HD2 ASN 27 -7.585 1.209 -8.577
208 2HD2 ASN 27 2HD2 ASN 27 -8.875 0.472 -9.398
209 H LEU 28 H LEU 28 -6.278 1.188 -5.078
210 HA LEU 28 HA LEU 28 -5.608 -1.392 -6.198
211 1HB LEU 28 2HB LEU 28 -3.852 0.457 -4.559
212 2HB LEU 28 1HB LEU 28 -3.309 -0.810 -5.657
213 HG LEU 28 HG LEU 28 -4.825 1.703 -6.417
214 1HD1 LEU 28 1HD1 LEU 28 -2.743 2.197 -7.675
215 2HD1 LEU 28 2HD1 LEU 28 -2.015 0.730 -7.023
216 3HD1 LEU 28 3HD1 LEU 28 -2.438 2.058 -5.943
217 1HD2 LEU 28 1HD2 LEU 28 -4.106 -0.802 -7.925
218 2HD2 LEU 28 2HD2 LEU 28 -4.199 0.741 -8.775
219 3HD2 LEU 28 3HD2 LEU 28 -5.618 0.106 -7.942
220 H ARG 29 H ARG 29 -6.053 -0.190 -2.912
221 HA ARG 29 HA ARG 29 -4.824 -2.536 -1.691
222 1HB ARG 29 2HB ARG 29 -6.443 -0.225 -0.620
223 2HB ARG 29 1HB ARG 29 -5.943 -1.569 0.409
224 1HG ARG 29 2HG ARG 29 -3.583 -1.172 -0.229
225 2HG ARG 29 1HG ARG 29 -4.091 0.193 -1.223
226 1HD ARG 29 2HD ARG 29 -4.511 -0.050 1.771
227 2HD ARG 29 1HD ARG 29 -3.296 0.957 0.986
228 HE ARG 29 HE ARG 29 -5.684 1.779 -0.157
229 1HH1 ARG 29 1HH2 ARG 29 -4.441 1.384 3.037
230 2HH1 ARG 29 2HH2 ARG 29 -5.390 2.669 3.706
231 1HH2 ARG 29 1HH1 ARG 29 -6.927 3.455 0.698
232 2HH2 ARG 29 2HH1 ARG 29 -6.798 3.842 2.381
233 H ARG 30 H ARG 30 -8.218 -1.429 -2.105
234 HA ARG 30 HA ARG 30 -9.365 -3.740 -0.855
235 1HB ARG 30 2HB ARG 30 -10.435 -1.800 -2.915
236 2HB ARG 30 1HB ARG 30 -11.410 -3.120 -2.267
237 1HG ARG 30 2HG ARG 30 -11.020 -2.269 0.027
238 2HG ARG 30 1HG ARG 30 -10.078 -0.934 -0.639
239 1HD ARG 30 2HD ARG 30 -13.004 -1.497 -1.205
240 2HD ARG 30 1HD ARG 30 -12.377 -0.200 -0.189
241 HE ARG 30 HE ARG 30 -11.124 0.205 -2.627
242 1HH1 ARG 30 1HH2 ARG 30 -14.365 -0.203 -1.518
243 2HH1 ARG 30 2HH2 ARG 30 -15.052 0.802 -2.750
244 1HH2 ARG 30 1HH1 ARG 30 -12.002 1.516 -4.239
245 2HH2 ARG 30 2HH1 ARG 30 -13.714 1.775 -4.291
246 H GLU 31 H GLU 31 -8.472 -3.047 -4.228
247 HA GLU 31 HA GLU 31 -9.468 -5.483 -5.355
248 1HB GLU 31 2HB GLU 31 -8.624 -3.435 -6.619
249 2HB GLU 31 1HB GLU 31 -6.989 -3.990 -6.264
250 1HG GLU 31 2HG GLU 31 -7.520 -6.159 -7.368
251 2HG GLU 31 1HG GLU 31 -9.111 -5.525 -7.791
252 H ARG 32 H ARG 32 -6.796 -4.812 -3.291
253 HA ARG 32 HA ARG 32 -5.401 -7.319 -4.032
254 1HB ARG 32 2HB ARG 32 -4.334 -4.963 -3.447
255 2HB ARG 32 1HB ARG 32 -4.491 -5.557 -1.794
256 1HG ARG 32 2HG ARG 32 -2.426 -6.446 -2.287
257 2HG ARG 32 1HG ARG 32 -3.436 -7.756 -2.902
258 1HD ARG 32 2HD ARG 32 -2.570 -5.438 -4.639
259 2HD ARG 32 1HD ARG 32 -1.609 -6.907 -4.482
260 HE ARG 32 HE ARG 32 -4.124 -7.852 -5.131
261 1HH1 ARG 32 1HH2 ARG 32 -1.955 -5.497 -6.409
262 2HH1 ARG 32 2HH2 ARG 32 -2.466 -5.722 -8.049
263 1HH2 ARG 32 1HH1 ARG 32 -4.803 -8.160 -7.264
264 2HH2 ARG 32 2HH1 ARG 32 -4.079 -7.231 -8.532
265 H GLY 33 H GLY 33 -7.838 -6.381 -1.895
266 1HA GLY 33 2HA GLY 33 -8.921 -7.885 -0.369
267 2HA GLY 33 1HA GLY 33 -7.470 -8.888 -0.370
268 H LEU 34 H LEU 34 -6.327 -5.836 -0.015
269 HA LEU 34 HA LEU 34 -6.297 -6.120 2.958
270 1HB LEU 34 2HB LEU 34 -4.455 -4.413 1.268
271 2HB LEU 34 1HB LEU 34 -4.231 -4.903 2.948
272 HG LEU 34 HG LEU 34 -4.240 -6.742 0.537
273 1HD1 LEU 34 1HD1 LEU 34 -2.061 -5.805 2.425
274 2HD1 LEU 34 2HD1 LEU 34 -2.168 -5.495 0.693
275 3HD1 LEU 34 3HD1 LEU 34 -1.864 -7.130 1.279
276 1HD2 LEU 34 1HD2 LEU 34 -4.159 -7.226 3.514
277 2HD2 LEU 34 2HD2 LEU 34 -3.427 -8.376 2.394
278 3HD2 LEU 34 3HD2 LEU 34 -5.153 -8.026 2.296
279 H PHE 35 H PHE 35 -7.140 -4.492 4.218
280 HA PHE 35 HA PHE 35 -7.462 -1.772 3.331
281 1HB PHE 35 2HB PHE 35 -9.862 -1.696 3.029
282 2HB PHE 35 1HB PHE 35 -9.220 -2.931 1.945
283 HD1 PHE 35 1HD PHE 35 -11.276 -2.273 4.894
284 HD2 PHE 35 2HD PHE 35 -9.444 -5.341 2.511
285 HE1 PHE 35 1HE PHE 35 -12.727 -3.973 5.970
286 HE2 PHE 35 2HE PHE 35 -10.895 -7.042 3.586
287 HZ PHE 35 HZ PHE 35 -12.535 -6.358 5.315
Start of MODEL 8
1 1H LEU 1 1HT LEU 1 -0.593 -2.871 11.856
2 2H LEU 1 2HT LEU 1 0.925 -2.109 11.889
3 3H LEU 1 3HT LEU 1 0.809 -3.760 11.507
4 HA LEU 1 HA LEU 1 -0.825 -2.605 9.673
5 1HB LEU 1 2HB LEU 1 1.534 -0.840 10.328
6 2HB LEU 1 1HB LEU 1 0.856 -0.886 8.700
7 HG LEU 1 HG LEU 1 -1.377 -0.330 9.637
8 1HD1 LEU 1 1HD1 LEU 1 0.214 -0.338 12.203
9 2HD1 LEU 1 2HD1 LEU 1 -1.304 -1.162 11.852
10 3HD1 LEU 1 3HD1 LEU 1 -1.278 0.590 12.052
11 1HD2 LEU 1 1HD2 LEU 1 -0.811 2.022 10.288
12 2HD2 LEU 1 2HD2 LEU 1 0.029 1.492 8.830
13 3HD2 LEU 1 3HD2 LEU 1 0.888 1.553 10.370
14 H SER 2 H SER 2 1.712 -4.396 10.751
15 HA SER 2 HA SER 2 3.316 -5.770 9.702
16 1HB SER 2 2HB SER 2 2.369 -7.185 8.093
17 2HB SER 2 1HB SER 2 0.946 -6.573 8.929
18 HG SER 2 HG SER 2 0.825 -4.956 7.275
19 H ASP 3 H ASP 3 4.278 -3.335 9.392
20 HA ASP 3 HA ASP 3 4.421 -2.196 6.806
21 1HB ASP 3 2HB ASP 3 6.547 -2.313 8.970
22 2HB ASP 3 1HB ASP 3 6.611 -1.257 7.558
23 H GLU 4 H GLU 4 6.176 -4.913 8.229
24 HA GLU 4 HA GLU 4 8.048 -5.252 6.065
25 1HB GLU 4 2HB GLU 4 8.177 -6.308 8.388
26 2HB GLU 4 1HB GLU 4 6.953 -7.452 7.834
27 1HG GLU 4 2HG GLU 4 8.443 -8.072 5.932
28 2HG GLU 4 1HG GLU 4 9.683 -7.003 6.592
29 H ASP 5 H ASP 5 4.931 -6.831 6.815
30 HA ASP 5 HA ASP 5 4.843 -8.366 4.384
31 1HB ASP 5 2HB ASP 5 3.440 -8.634 6.560
32 2HB ASP 5 1HB ASP 5 2.388 -7.411 5.848
33 H PHE 6 H PHE 6 3.508 -5.201 5.306
34 HA PHE 6 HA PHE 6 2.051 -4.651 2.947
35 1HB PHE 6 2HB PHE 6 1.946 -3.219 4.943
36 2HB PHE 6 1HB PHE 6 3.622 -2.731 4.693
37 HD1 PHE 6 1HD PHE 6 0.162 -2.372 3.532
38 HD2 PHE 6 2HD PHE 6 4.253 -1.302 2.786
39 HE1 PHE 6 1HE PHE 6 -0.588 -0.584 1.985
40 HE2 PHE 6 2HE PHE 6 3.504 0.486 1.239
41 HZ PHE 6 HZ PHE 6 1.084 0.844 0.838
42 H ARG 7 H ARG 7 5.380 -3.545 3.694
43 HA ARG 7 HA ARG 7 6.005 -2.450 1.201
44 1HB ARG 7 2HB ARG 7 7.485 -2.334 3.187
45 2HB ARG 7 1HB ARG 7 7.872 -4.043 2.987
46 1HG ARG 7 2HG ARG 7 8.851 -3.608 0.797
47 2HG ARG 7 1HG ARG 7 8.367 -1.914 0.885
48 1HD ARG 7 2HD ARG 7 10.683 -2.002 1.515
49 2HD ARG 7 1HD ARG 7 9.764 -1.736 2.994
50 HE ARG 7 HE ARG 7 10.006 -4.498 2.832
51 1HH1 ARG 7 1HH2 ARG 7 12.128 -1.782 2.757
52 2HH1 ARG 7 2HH2 ARG 7 13.457 -2.635 3.470
53 1HH2 ARG 7 1HH1 ARG 7 11.725 -5.625 3.762
54 2HH2 ARG 7 2HH1 ARG 7 13.229 -4.811 4.038
55 H ALA 8 H ALA 8 6.020 -5.856 2.157
56 HA ALA 8 HA ALA 8 7.277 -6.833 -0.245
57 1HB ALA 8 1HB ALA 8 6.349 -9.030 0.466
58 2HB ALA 8 2HB ALA 8 5.417 -8.209 1.719
59 3HB ALA 8 3HB ALA 8 7.180 -8.199 1.780
60 H VAL 9 H VAL 9 3.965 -5.986 0.576
61 HA VAL 9 HA VAL 9 2.785 -7.388 -1.675
62 HB VAL 9 HB VAL 9 1.722 -5.186 0.111
63 1HG1 VAL 9 1HG1 VAL 9 0.441 -6.783 -2.115
64 2HG1 VAL 9 2HG1 VAL 9 0.479 -5.031 -1.918
65 3HG1 VAL 9 3HG1 VAL 9 -0.509 -6.019 -0.842
66 1HG2 VAL 9 1HG2 VAL 9 0.603 -6.940 1.276
67 2HG2 VAL 9 2HG2 VAL 9 2.249 -7.527 1.038
68 3HG2 VAL 9 3HG2 VAL 9 0.947 -8.108 0.000
69 1HN PF5 10 H PF5 10 3.480 -3.907 -1.082
70 HA PF5 10 HA PF5 10 2.952 -3.448 -3.976
71 1HB PF5 10 1HB PF5 10 2.734 -1.105 -3.399
72 2HB PF5 10 2HB PF5 10 3.353 -1.410 -1.770
73 H GLY 11 H GLY 11 5.549 -3.693 -1.738
74 1HA GLY 11 2HA GLY 11 7.849 -3.806 -2.374
75 2HA GLY 11 1HA GLY 11 7.430 -3.074 -3.923
76 H MET 12 H MET 12 6.070 -1.477 -1.223
77 HA MET 12 HA MET 12 8.366 0.343 -0.874
78 1HB MET 12 2HB MET 12 6.795 2.325 -1.358
79 2HB MET 12 1HB MET 12 7.404 1.434 -2.752
80 1HG MET 12 2HG MET 12 5.324 0.113 -2.826
81 2HG MET 12 1HG MET 12 4.711 0.994 -1.427
82 1HE MET 12 1HE MET 12 5.116 0.701 -5.076
83 2HE MET 12 2HE MET 12 6.511 1.759 -4.878
84 3HE MET 12 3HE MET 12 5.099 2.331 -5.763
85 H THR 13 H THR 13 8.027 1.808 0.956
86 HA THR 13 HA THR 13 6.546 0.554 3.101
87 HB THR 13 HB THR 13 7.173 2.759 4.301
88 HG1 THR 13 1HG THR 13 7.596 3.507 1.883
89 1HG2 THR 13 1HG2 THR 13 9.515 2.051 4.512
90 2HG2 THR 13 2HG2 THR 13 9.359 1.068 3.056
91 3HG2 THR 13 3HG2 THR 13 8.446 0.647 4.506
92 H ARG 14 H ARG 14 4.742 1.504 4.269
93 HA ARG 14 HA ARG 14 2.607 2.415 2.665
94 1HB ARG 14 2HB ARG 14 3.060 2.863 5.630
95 2HB ARG 14 1HB ARG 14 1.520 3.079 4.798
96 1HG ARG 14 2HG ARG 14 1.789 0.650 4.006
97 2HG ARG 14 1HG ARG 14 3.067 0.516 5.215
98 1HD ARG 14 2HD ARG 14 1.048 -0.220 6.297
99 2HD ARG 14 1HD ARG 14 1.390 1.386 6.921
100 HE ARG 14 HE ARG 14 -0.265 1.839 4.732
101 1HH1 ARG 14 1HH2 ARG 14 -0.375 -0.117 7.578
102 2HH1 ARG 14 2HH2 ARG 14 -2.097 -0.009 7.742
103 1HH2 ARG 14 1HH1 ARG 14 -2.510 1.978 4.932
104 2HH2 ARG 14 2HH1 ARG 14 -3.302 1.176 6.247
105 H SER 15 H SER 15 5.208 4.214 4.191
106 HA SER 15 HA SER 15 3.997 6.808 4.116
107 1HB SER 15 2HB SER 15 6.247 7.683 4.333
108 2HB SER 15 1HB SER 15 6.131 6.230 5.321
109 HG SER 15 HG SER 15 7.323 5.140 3.881
110 H ALA 16 H ALA 16 6.047 5.088 1.758
111 HA ALA 16 HA ALA 16 5.867 7.217 -0.211
112 1HB ALA 16 1HB ALA 16 6.832 4.362 -0.251
113 2HB ALA 16 2HB ALA 16 7.763 5.845 -0.469
114 3HB ALA 16 3HB ALA 16 6.685 5.283 -1.747
115 H PHE 17 H PHE 17 4.241 4.086 0.277
116 HA PHE 17 HA PHE 17 2.661 4.112 -2.087
117 1HB PHE 17 2HB PHE 17 2.916 2.194 -0.439
118 2HB PHE 17 1HB PHE 17 1.768 3.037 0.599
119 HD1 PHE 17 1HD PHE 17 2.191 1.716 -2.875
120 HD2 PHE 17 2HD PHE 17 -0.551 2.810 0.247
121 HE1 PHE 17 1HE PHE 17 0.311 0.790 -4.201
122 HE2 PHE 17 2HE PHE 17 -2.430 1.884 -1.080
123 HZ PHE 17 HZ PHE 17 -1.999 0.875 -3.304
124 H ALA 18 H ALA 18 2.125 5.587 1.096
125 HA ALA 18 HA ALA 18 -0.542 6.469 0.703
126 1HB ALA 18 1HB ALA 18 0.674 6.622 2.868
127 2HB ALA 18 2HB ALA 18 -0.049 8.164 2.409
128 3HB ALA 18 3HB ALA 18 1.682 7.901 2.191
129 H ASN 19 H ASN 19 2.359 7.426 -0.849
130 HA ASN 19 HA ASN 19 1.767 10.145 -1.480
131 1HB ASN 19 2HB ASN 19 3.967 8.901 -1.841
132 2HB ASN 19 1HB ASN 19 3.231 8.211 -3.289
133 1HD2 ASN 19 1HD2 ASN 19 5.148 9.545 -4.280
134 2HD2 ASN 19 2HD2 ASN 19 4.809 11.157 -4.690
135 H LEU 20 H LEU 20 0.721 7.110 -2.964
136 HA LEU 20 HA LEU 20 -0.349 8.217 -5.381
137 1HB LEU 20 2HB LEU 20 -1.307 5.791 -3.832
138 2HB LEU 20 1HB LEU 20 -1.634 6.134 -5.532
139 HG LEU 20 HG LEU 20 1.148 5.801 -4.373
140 1HD1 LEU 20 1HD1 LEU 20 0.996 3.628 -5.770
141 2HD1 LEU 20 2HD1 LEU 20 -0.750 3.862 -5.695
142 3HD1 LEU 20 3HD1 LEU 20 0.175 3.653 -4.208
143 1HD2 LEU 20 1HD2 LEU 20 -0.003 6.261 -7.117
144 2HD2 LEU 20 2HD2 LEU 20 1.522 5.395 -6.938
145 3HD2 LEU 20 3HD2 LEU 20 1.373 7.050 -6.347
146 HA PRO 21 HA PRO 21 -3.988 10.474 -4.314
147 1HB PRO 21 2HB PRO 21 -5.383 8.503 -6.113
148 2HB PRO 21 1HB PRO 21 -5.542 10.272 -6.049
149 1HG PRO 21 2HG PRO 21 -4.085 9.176 -7.937
150 2HG PRO 21 1HG PRO 21 -3.497 10.622 -7.094
151 1HD PRO 21 2HD PRO 21 -2.597 7.778 -6.796
152 2HD PRO 21 1HD PRO 21 -1.651 9.277 -6.677
153 H LEU 22 H LEU 22 -5.378 10.332 -2.605
154 HA LEU 22 HA LEU 22 -5.541 8.103 -0.916
155 1HB LEU 22 2HB LEU 22 -7.614 10.286 -1.261
156 2HB LEU 22 1HB LEU 22 -7.437 9.247 0.153
157 HG LEU 22 HG LEU 22 -5.332 11.165 -0.895
158 1HD1 LEU 22 1HD1 LEU 22 -5.815 12.275 1.356
159 2HD1 LEU 22 2HD1 LEU 22 -7.264 11.273 1.432
160 3HD1 LEU 22 3HD1 LEU 22 -7.072 12.447 0.131
161 1HD2 LEU 22 1HD2 LEU 22 -5.397 9.084 1.266
162 2HD2 LEU 22 2HD2 LEU 22 -4.453 10.549 1.527
163 3HD2 LEU 22 3HD2 LEU 22 -4.090 9.500 0.157
164 H TRP 23 H TRP 23 -7.956 9.109 -3.367
165 HA TRP 23 HA TRP 23 -9.750 6.939 -2.870
166 1HB TRP 23 2HB TRP 23 -10.807 7.550 -4.939
167 2HB TRP 23 1HB TRP 23 -10.248 9.043 -4.186
168 HD1 TRP 23 HD TRP 23 -8.480 10.451 -5.438
169 HE1 TRP 23 1HE TRP 23 -7.279 10.222 -7.706
170 HE3 TRP 23 3HE TRP 23 -9.827 5.683 -6.670
171 HZ2 TRP 23 2HZ TRP 23 -6.935 8.272 -9.772
172 HZ3 TRP 23 3HZ TRP 23 -9.051 4.665 -8.790
173 HH2 TRP 23 HH TRP 23 -7.607 5.952 -10.342
174 H ARG 24 H ARG 24 -6.940 7.219 -5.018
175 HA ARG 24 HA ARG 24 -7.382 4.741 -6.408
176 1HB ARG 24 2HB ARG 24 -5.854 6.518 -7.226
177 2HB ARG 24 1HB ARG 24 -4.763 6.173 -5.883
178 1HG ARG 24 2HG ARG 24 -4.455 3.881 -6.674
179 2HG ARG 24 1HG ARG 24 -5.617 4.150 -7.974
180 1HD ARG 24 2HD ARG 24 -3.950 4.918 -9.271
181 2HD ARG 24 1HD ARG 24 -3.708 6.245 -8.133
182 HE ARG 24 HE ARG 24 -2.355 4.156 -6.947
183 1HH1 ARG 24 1HH2 ARG 24 -2.426 5.580 -10.086
184 2HH1 ARG 24 2HH2 ARG 24 -0.755 5.264 -10.414
185 1HH2 ARG 24 1HH1 ARG 24 -0.170 3.738 -7.355
186 2HH2 ARG 24 2HH1 ARG 24 0.523 4.222 -8.867
187 H GLN 25 H GLN 25 -5.332 5.527 -3.571
188 HA GLN 25 HA GLN 25 -4.149 3.025 -3.187
189 1HB GLN 25 2HB GLN 25 -5.206 4.923 -1.076
190 2HB GLN 25 1HB GLN 25 -4.109 3.578 -0.757
191 1HG GLN 25 2HG GLN 25 -2.429 4.548 -2.255
192 2HG GLN 25 1HG GLN 25 -3.528 5.867 -2.665
193 1HE2 GLN 25 1HE2 GLN 25 -2.168 7.530 -1.740
194 2HE2 GLN 25 2HE2 GLN 25 -1.925 7.665 -0.066
195 H GLN 26 H GLN 26 -7.392 4.054 -2.049
196 HA GLN 26 HA GLN 26 -8.060 1.552 -0.823
197 1HB GLN 26 2HB GLN 26 -9.864 3.597 -2.156
198 2HB GLN 26 1HB GLN 26 -10.426 2.270 -1.140
199 1HG GLN 26 2HG GLN 26 -9.137 3.150 0.757
200 2HG GLN 26 1HG GLN 26 -8.529 4.461 -0.252
201 1HE2 GLN 26 1HE2 GLN 26 -10.129 4.881 2.151
202 2HE2 GLN 26 2HE2 GLN 26 -11.585 5.607 1.667
203 H ASN 27 H ASN 27 -8.322 2.750 -4.135
204 HA ASN 27 HA ASN 27 -9.777 0.556 -5.240
205 1HB ASN 27 2HB ASN 27 -9.222 2.802 -6.341
206 2HB ASN 27 1HB ASN 27 -7.630 2.127 -6.685
207 1HD2 ASN 27 1HD2 ASN 27 -9.514 -0.547 -6.778
208 2HD2 ASN 27 2HD2 ASN 27 -9.965 -0.547 -8.414
209 H LEU 28 H LEU 28 -6.248 1.151 -5.108
210 HA LEU 28 HA LEU 28 -5.588 -1.473 -6.150
211 1HB LEU 28 2HB LEU 28 -3.841 0.419 -4.550
212 2HB LEU 28 1HB LEU 28 -3.292 -0.898 -5.585
213 HG LEU 28 HG LEU 28 -4.771 1.594 -6.479
214 1HD1 LEU 28 1HD1 LEU 28 -2.437 2.046 -6.008
215 2HD1 LEU 28 2HD1 LEU 28 -2.627 1.944 -7.759
216 3HD1 LEU 28 3HD1 LEU 28 -1.936 0.588 -6.866
217 1HD2 LEU 28 1HD2 LEU 28 -4.023 -0.972 -7.867
218 2HD2 LEU 28 2HD2 LEU 28 -4.087 0.536 -8.780
219 3HD2 LEU 28 3HD2 LEU 28 -5.530 -0.061 -7.962
220 H ARG 29 H ARG 29 -6.012 -0.127 -2.907
221 HA ARG 29 HA ARG 29 -4.902 -2.492 -1.607
222 1HB ARG 29 2HB ARG 29 -6.417 -0.085 -0.586
223 2HB ARG 29 1HB ARG 29 -5.898 -1.402 0.469
224 1HG ARG 29 2HG ARG 29 -3.558 -1.065 -0.300
225 2HG ARG 29 1HG ARG 29 -4.096 0.299 -1.280
226 1HD ARG 29 2HD ARG 29 -4.440 0.104 1.726
227 2HD ARG 29 1HD ARG 29 -3.163 1.013 0.921
228 HE ARG 29 HE ARG 29 -5.494 1.990 -0.218
229 1HH1 ARG 29 1HH2 ARG 29 -4.263 1.543 2.974
230 2HH1 ARG 29 2HH2 ARG 29 -5.116 2.899 3.633
231 1HH2 ARG 29 1HH1 ARG 29 -6.611 3.758 0.624
232 2HH2 ARG 29 2HH1 ARG 29 -6.445 4.153 2.302
233 H ARG 30 H ARG 30 -8.231 -1.196 -2.014
234 HA ARG 30 HA ARG 30 -9.530 -3.340 -0.663
235 1HB ARG 30 2HB ARG 30 -10.638 -1.205 -1.396
236 2HB ARG 30 1HB ARG 30 -10.616 -1.817 -3.051
237 1HG ARG 30 2HG ARG 30 -11.991 -3.720 -2.420
238 2HG ARG 30 1HG ARG 30 -11.905 -3.263 -0.718
239 1HD ARG 30 2HD ARG 30 -13.110 -1.520 -2.886
240 2HD ARG 30 1HD ARG 30 -14.046 -2.564 -1.820
241 HE ARG 30 HE ARG 30 -12.550 -1.021 -0.076
242 1HH1 ARG 30 1HH2 ARG 30 -14.657 -0.434 -2.743
243 2HH1 ARG 30 2HH2 ARG 30 -15.226 1.082 -2.129
244 1HH2 ARG 30 1HH1 ARG 30 -13.280 0.952 0.740
245 2HH2 ARG 30 2HH1 ARG 30 -14.447 1.867 -0.157
246 H GLU 31 H GLU 31 -8.631 -2.967 -4.093
247 HA GLU 31 HA GLU 31 -9.674 -5.482 -4.981
248 1HB GLU 31 2HB GLU 31 -8.830 -3.575 -6.443
249 2HB GLU 31 1HB GLU 31 -7.195 -4.104 -6.053
250 1HG GLU 31 2HG GLU 31 -7.742 -6.361 -6.945
251 2HG GLU 31 1HG GLU 31 -9.339 -5.768 -7.402
252 H ARG 32 H ARG 32 -6.952 -4.654 -3.036
253 HA ARG 32 HA ARG 32 -5.531 -7.175 -3.581
254 1HB ARG 32 2HB ARG 32 -4.435 -4.898 -3.077
255 2HB ARG 32 1HB ARG 32 -4.876 -5.203 -1.396
256 1HG ARG 32 2HG ARG 32 -2.787 -6.184 -1.416
257 2HG ARG 32 1HG ARG 32 -3.758 -7.568 -1.915
258 1HD ARG 32 2HD ARG 32 -3.365 -6.785 -4.324
259 2HD ARG 32 1HD ARG 32 -2.132 -5.712 -3.661
260 HE ARG 32 HE ARG 32 -1.484 -8.200 -2.619
261 1HH1 ARG 32 1HH2 ARG 32 -2.096 -6.871 -5.741
262 2HH1 ARG 32 2HH2 ARG 32 -1.015 -7.948 -6.558
263 1HH2 ARG 32 1HH1 ARG 32 -0.069 -9.616 -3.668
264 2HH2 ARG 32 2HH1 ARG 32 0.133 -9.502 -5.385
265 H GLY 33 H GLY 33 -7.874 -5.979 -1.308
266 1HA GLY 33 2HA GLY 33 -9.099 -7.418 0.182
267 2HA GLY 33 1HA GLY 33 -7.805 -8.609 0.052
268 H LEU 34 H LEU 34 -6.226 -5.771 0.492
269 HA LEU 34 HA LEU 34 -5.984 -6.284 3.412
270 1HB LEU 34 2HB LEU 34 -4.258 -4.439 1.752
271 2HB LEU 34 1HB LEU 34 -3.876 -5.178 3.307
272 HG LEU 34 HG LEU 34 -4.187 -6.602 0.649
273 1HD1 LEU 34 1HD1 LEU 34 -1.852 -6.125 2.523
274 2HD1 LEU 34 2HD1 LEU 34 -2.028 -5.534 0.870
275 3HD1 LEU 34 3HD1 LEU 34 -1.806 -7.257 1.172
276 1HD2 LEU 34 1HD2 LEU 34 -5.103 -8.096 2.247
277 2HD2 LEU 34 2HD2 LEU 34 -3.943 -7.615 3.485
278 3HD2 LEU 34 3HD2 LEU 34 -3.415 -8.591 2.114
279 H PHE 35 H PHE 35 -7.317 -4.032 1.181
280 HA PHE 35 HA PHE 35 -8.172 -1.847 1.477
281 1HB PHE 35 2HB PHE 35 -9.941 -1.893 2.955
282 2HB PHE 35 1HB PHE 35 -9.584 -3.620 2.905
283 HD1 PHE 35 1HD PHE 35 -9.054 -0.488 4.831
284 HD2 PHE 35 2HD PHE 35 -8.682 -4.768 4.805
285 HE1 PHE 35 1HE PHE 35 -8.558 -0.461 7.260
286 HE2 PHE 35 2HE PHE 35 -8.185 -4.740 7.234
287 HZ PHE 35 HZ PHE 35 -8.123 -2.587 8.462
Start of MODEL 9
1 1H LEU 1 1HT LEU 1 0.260 -1.372 12.067
2 2H LEU 1 2HT LEU 1 1.202 -0.248 11.210
3 3H LEU 1 3HT LEU 1 1.903 -1.686 11.780
4 HA LEU 1 HA LEU 1 -0.235 -2.486 10.234
5 1HB LEU 1 2HB LEU 1 1.283 -0.139 9.097
6 2HB LEU 1 1HB LEU 1 0.579 -1.366 8.042
7 HG LEU 1 HG LEU 1 -1.630 -0.986 9.129
8 1HD1 LEU 1 1HD1 LEU 1 -0.003 1.062 10.635
9 2HD1 LEU 1 2HD1 LEU 1 -1.084 -0.170 11.283
10 3HD1 LEU 1 3HD1 LEU 1 -1.748 1.233 10.448
11 1HD2 LEU 1 1HD2 LEU 1 -2.088 1.128 8.022
12 2HD2 LEU 1 2HD2 LEU 1 -0.907 0.244 7.055
13 3HD2 LEU 1 3HD2 LEU 1 -0.382 1.575 8.087
14 H SER 2 H SER 2 0.539 -4.120 8.797
15 HA SER 2 HA SER 2 3.043 -5.300 9.500
16 1HB SER 2 2HB SER 2 0.933 -6.359 8.376
17 2HB SER 2 1HB SER 2 1.685 -5.844 6.869
18 HG SER 2 HG SER 2 2.391 -7.842 8.629
19 H ASP 3 H ASP 3 4.356 -3.248 9.183
20 HA ASP 3 HA ASP 3 4.864 -2.145 6.607
21 1HB ASP 3 2HB ASP 3 6.928 -1.271 7.572
22 2HB ASP 3 1HB ASP 3 5.638 -1.143 8.769
23 H GLU 4 H GLU 4 6.051 -5.045 8.196
24 HA GLU 4 HA GLU 4 8.177 -5.560 6.288
25 1HB GLU 4 2HB GLU 4 7.904 -6.550 8.657
26 2HB GLU 4 1HB GLU 4 6.747 -7.659 7.923
27 1HG GLU 4 2HG GLU 4 8.873 -8.770 7.882
28 2HG GLU 4 1HG GLU 4 8.549 -8.243 6.229
29 H ASP 5 H ASP 5 4.936 -7.002 6.768
30 HA ASP 5 HA ASP 5 5.035 -8.470 4.275
31 1HB ASP 5 2HB ASP 5 3.561 -8.928 6.356
32 2HB ASP 5 1HB ASP 5 2.499 -7.677 5.708
33 H PHE 6 H PHE 6 3.563 -5.401 5.297
34 HA PHE 6 HA PHE 6 2.135 -4.752 2.967
35 1HB PHE 6 2HB PHE 6 2.056 -3.369 4.991
36 2HB PHE 6 1HB PHE 6 3.743 -2.907 4.760
37 HD1 PHE 6 1HD PHE 6 0.294 -2.460 3.582
38 HD2 PHE 6 2HD PHE 6 4.409 -1.420 2.917
39 HE1 PHE 6 1HE PHE 6 -0.414 -0.611 2.087
40 HE2 PHE 6 2HE PHE 6 3.700 0.427 1.422
41 HZ PHE 6 HZ PHE 6 1.288 0.832 1.007
42 H ARG 7 H ARG 7 5.489 -3.720 3.704
43 HA ARG 7 HA ARG 7 6.097 -2.554 1.237
44 1HB ARG 7 2HB ARG 7 7.588 -2.556 3.243
45 2HB ARG 7 1HB ARG 7 7.991 -4.239 2.905
46 1HG ARG 7 2HG ARG 7 8.851 -3.581 0.682
47 2HG ARG 7 1HG ARG 7 8.464 -1.898 1.036
48 1HD ARG 7 2HD ARG 7 10.372 -3.621 2.643
49 2HD ARG 7 1HD ARG 7 10.854 -2.399 1.469
50 HE ARG 7 HE ARG 7 9.201 -1.029 3.230
51 1HH1 ARG 7 1HH2 ARG 7 12.000 -3.030 3.459
52 2HH1 ARG 7 2HH2 ARG 7 12.610 -2.240 4.874
53 1HH2 ARG 7 1HH1 ARG 7 9.982 0.012 5.073
54 2HH2 ARG 7 2HH1 ARG 7 11.467 -0.517 5.788
55 H ALA 8 H ALA 8 6.109 -5.989 2.098
56 HA ALA 8 HA ALA 8 7.301 -6.898 -0.366
57 1HB ALA 8 1HB ALA 8 5.476 -8.348 1.573
58 2HB ALA 8 2HB ALA 8 7.237 -8.302 1.658
59 3HB ALA 8 3HB ALA 8 6.439 -9.116 0.312
60 H VAL 9 H VAL 9 4.020 -6.059 0.567
61 HA VAL 9 HA VAL 9 2.758 -7.417 -1.663
62 HB VAL 9 HB VAL 9 1.775 -5.207 0.158
63 1HG1 VAL 9 1HG1 VAL 9 0.409 -6.806 -2.017
64 2HG1 VAL 9 2HG1 VAL 9 0.469 -5.053 -1.832
65 3HG1 VAL 9 3HG1 VAL 9 -0.492 -6.025 -0.718
66 1HG2 VAL 9 1HG2 VAL 9 0.681 -6.949 1.366
67 2HG2 VAL 9 2HG2 VAL 9 2.315 -7.549 1.077
68 3HG2 VAL 9 3HG2 VAL 9 0.975 -8.124 0.085
69 1HN PF5 10 H PF5 10 3.473 -3.940 -1.063
70 HA PF5 10 HA PF5 10 2.890 -3.463 -3.942
71 1HB PF5 10 1HB PF5 10 2.678 -1.127 -3.347
72 2HB PF5 10 2HB PF5 10 3.344 -1.434 -1.737
73 H GLY 11 H GLY 11 5.523 -3.518 -1.666
74 1HA GLY 11 2HA GLY 11 7.816 -3.705 -2.393
75 2HA GLY 11 1HA GLY 11 7.364 -2.945 -3.919
76 H MET 12 H MET 12 5.955 -1.309 -1.331
77 HA MET 12 HA MET 12 8.287 0.495 -0.965
78 1HB MET 12 2HB MET 12 6.682 2.460 -1.319
79 2HB MET 12 1HB MET 12 7.174 1.588 -2.772
80 1HG MET 12 2HG MET 12 4.699 0.735 -1.297
81 2HG MET 12 1HG MET 12 4.630 2.118 -2.388
82 1HE MET 12 1HE MET 12 6.087 1.848 -4.828
83 2HE MET 12 2HE MET 12 4.342 2.062 -4.713
84 3HE MET 12 3HE MET 12 5.004 0.876 -5.834
85 H THR 13 H THR 13 7.794 2.124 0.815
86 HA THR 13 HA THR 13 6.503 0.711 3.038
87 HB THR 13 HB THR 13 7.260 2.733 4.346
88 HG1 THR 13 1HG THR 13 7.222 3.943 2.188
89 1HG2 THR 13 1HG2 THR 13 9.418 1.480 2.630
90 2HG2 THR 13 2HG2 THR 13 8.666 0.679 4.008
91 3HG2 THR 13 3HG2 THR 13 9.609 2.150 4.249
92 H ARG 14 H ARG 14 4.774 1.667 4.321
93 HA ARG 14 HA ARG 14 2.568 2.625 2.859
94 1HB ARG 14 2HB ARG 14 3.278 2.878 5.787
95 2HB ARG 14 1HB ARG 14 1.744 3.460 5.138
96 1HG ARG 14 2HG ARG 14 2.588 0.679 4.435
97 2HG ARG 14 1HG ARG 14 1.997 0.971 6.071
98 1HD ARG 14 2HD ARG 14 0.508 1.718 3.533
99 2HD ARG 14 1HD ARG 14 0.151 0.324 4.543
100 HE ARG 14 HE ARG 14 0.059 2.480 6.297
101 1HH1 ARG 14 1HH2 ARG 14 -1.389 1.670 3.265
102 2HH1 ARG 14 2HH2 ARG 14 -2.864 2.516 3.598
103 1HH2 ARG 14 1HH1 ARG 14 -1.858 3.592 6.735
104 2HH2 ARG 14 2HH1 ARG 14 -3.128 3.600 5.559
105 H SER 15 H SER 15 5.279 4.389 4.233
106 HA SER 15 HA SER 15 4.088 7.005 4.147
107 1HB SER 15 2HB SER 15 7.017 6.295 3.797
108 2HB SER 15 1HB SER 15 6.364 7.855 4.290
109 HG SER 15 HG SER 15 5.494 5.712 5.783
110 H ALA 16 H ALA 16 6.107 5.215 1.811
111 HA ALA 16 HA ALA 16 5.894 7.304 -0.205
112 1HB ALA 16 1HB ALA 16 6.747 5.344 -1.696
113 2HB ALA 16 2HB ALA 16 6.922 4.472 -0.174
114 3HB ALA 16 3HB ALA 16 7.817 5.968 -0.441
115 H PHE 17 H PHE 17 4.367 4.126 0.326
116 HA PHE 17 HA PHE 17 2.771 4.064 -2.016
117 1HB PHE 17 2HB PHE 17 3.058 2.192 -0.334
118 2HB PHE 17 1HB PHE 17 1.922 3.048 0.709
119 HD1 PHE 17 1HD PHE 17 2.265 1.773 -2.800
120 HD2 PHE 17 2HD PHE 17 -0.376 2.665 0.469
121 HE1 PHE 17 1HE PHE 17 0.367 0.797 -4.066
122 HE2 PHE 17 2HE PHE 17 -2.273 1.690 -0.797
123 HZ PHE 17 HZ PHE 17 -1.901 0.756 -3.064
124 H ALA 18 H ALA 18 2.226 5.644 1.112
125 HA ALA 18 HA ALA 18 -0.466 6.464 0.671
126 1HB ALA 18 1HB ALA 18 1.778 7.770 2.240
127 2HB ALA 18 2HB ALA 18 0.524 6.699 2.869
128 3HB ALA 18 3HB ALA 18 0.100 8.313 2.294
129 H ASN 19 H ASN 19 2.438 7.413 -0.864
130 HA ASN 19 HA ASN 19 1.864 10.123 -1.532
131 1HB ASN 19 2HB ASN 19 4.049 8.851 -1.891
132 2HB ASN 19 1HB ASN 19 3.298 8.157 -3.329
133 1HD2 ASN 19 1HD2 ASN 19 5.447 9.627 -3.982
134 2HD2 ASN 19 2HD2 ASN 19 5.028 11.169 -4.556
135 H LEU 20 H LEU 20 0.715 7.091 -2.910
136 HA LEU 20 HA LEU 20 -0.336 8.170 -5.359
137 1HB LEU 20 2HB LEU 20 -1.345 5.791 -3.770
138 2HB LEU 20 1HB LEU 20 -1.632 6.103 -5.481
139 HG LEU 20 HG LEU 20 1.102 5.695 -4.232
140 1HD1 LEU 20 1HD1 LEU 20 -0.804 3.859 -5.680
141 2HD1 LEU 20 2HD1 LEU 20 0.066 3.573 -4.173
142 3HD1 LEU 20 3HD1 LEU 20 0.935 3.568 -5.708
143 1HD2 LEU 20 1HD2 LEU 20 1.567 5.336 -6.796
144 2HD2 LEU 20 2HD2 LEU 20 1.473 6.977 -6.157
145 3HD2 LEU 20 3HD2 LEU 20 0.093 6.281 -7.006
146 HA PRO 21 HA PRO 21 -3.921 10.523 -4.316
147 1HB PRO 21 2HB PRO 21 -5.365 8.506 -6.026
148 2HB PRO 21 1HB PRO 21 -5.519 10.277 -6.010
149 1HG PRO 21 2HG PRO 21 -4.096 9.116 -7.889
150 2HG PRO 21 1HG PRO 21 -3.496 10.591 -7.106
151 1HD PRO 21 2HD PRO 21 -2.571 7.768 -6.747
152 2HD PRO 21 1HD PRO 21 -1.641 9.278 -6.656
153 H LEU 22 H LEU 22 -5.328 10.463 -2.609
154 HA LEU 22 HA LEU 22 -5.455 8.322 -0.808
155 1HB LEU 22 2HB LEU 22 -6.103 10.664 -0.292
156 2HB LEU 22 1HB LEU 22 -7.578 10.445 -1.232
157 HG LEU 22 HG LEU 22 -8.198 8.544 0.274
158 1HD1 LEU 22 1HD1 LEU 22 -6.848 8.730 2.544
159 2HD1 LEU 22 2HD1 LEU 22 -5.573 9.333 1.487
160 3HD1 LEU 22 3HD1 LEU 22 -6.244 7.724 1.229
161 1HD2 LEU 22 1HD2 LEU 22 -8.819 9.967 2.186
162 2HD2 LEU 22 2HD2 LEU 22 -9.044 10.842 0.672
163 3HD2 LEU 22 3HD2 LEU 22 -7.638 11.176 1.682
164 H TRP 23 H TRP 23 -7.792 9.117 -3.392
165 HA TRP 23 HA TRP 23 -9.583 6.956 -2.704
166 1HB TRP 23 2HB TRP 23 -10.723 7.488 -4.766
167 2HB TRP 23 1HB TRP 23 -10.215 9.006 -4.024
168 HD1 TRP 23 HD TRP 23 -8.476 10.466 -5.281
169 HE1 TRP 23 1HE TRP 23 -7.344 10.301 -7.592
170 HE3 TRP 23 3HE TRP 23 -9.793 5.704 -6.569
171 HZ2 TRP 23 2HZ TRP 23 -7.039 8.400 -9.707
172 HZ3 TRP 23 3HZ TRP 23 -9.069 4.742 -8.735
173 HH2 TRP 23 HH TRP 23 -7.695 6.082 -10.304
174 H ARG 24 H ARG 24 -6.928 7.275 -5.049
175 HA ARG 24 HA ARG 24 -7.349 4.804 -6.400
176 1HB ARG 24 2HB ARG 24 -5.807 6.581 -7.195
177 2HB ARG 24 1HB ARG 24 -4.711 6.196 -5.867
178 1HG ARG 24 2HG ARG 24 -4.441 3.916 -6.704
179 2HG ARG 24 1HG ARG 24 -5.605 4.226 -7.992
180 1HD ARG 24 2HD ARG 24 -3.911 4.956 -9.277
181 2HD ARG 24 1HD ARG 24 -3.698 6.302 -8.155
182 HE ARG 24 HE ARG 24 -2.330 4.261 -6.920
183 1HH1 ARG 24 1HH2 ARG 24 -2.397 5.588 -10.099
184 2HH1 ARG 24 2HH2 ARG 24 -0.723 5.274 -10.411
185 1HH2 ARG 24 1HH1 ARG 24 -0.140 3.845 -7.306
186 2HH2 ARG 24 2HH1 ARG 24 0.556 4.288 -8.829
187 H GLN 25 H GLN 25 -5.357 5.533 -3.516
188 HA GLN 25 HA GLN 25 -4.131 3.045 -3.179
189 1HB GLN 25 2HB GLN 25 -5.270 4.875 -1.052
190 2HB GLN 25 1HB GLN 25 -4.185 3.523 -0.722
191 1HG GLN 25 2HG GLN 25 -2.480 4.536 -2.209
192 2HG GLN 25 1HG GLN 25 -3.557 5.902 -2.501
193 1HE2 GLN 25 1HE2 GLN 25 -2.454 4.103 0.435
194 2HE2 GLN 25 2HE2 GLN 25 -2.076 5.499 1.324
195 H GLN 26 H GLN 26 -7.450 3.963 -2.205
196 HA GLN 26 HA GLN 26 -8.097 1.444 -0.995
197 1HB GLN 26 2HB GLN 26 -9.898 3.423 -2.427
198 2HB GLN 26 1HB GLN 26 -10.464 2.084 -1.426
199 1HG GLN 26 2HG GLN 26 -8.638 4.295 -0.441
200 2HG GLN 26 1HG GLN 26 -10.384 4.262 -0.194
201 1HE2 GLN 26 1HE2 GLN 26 -7.875 3.877 1.677
202 2HE2 GLN 26 2HE2 GLN 26 -8.292 2.500 2.579
203 H ASN 27 H ASN 27 -8.271 2.638 -4.319
204 HA ASN 27 HA ASN 27 -9.579 0.394 -5.492
205 1HB ASN 27 2HB ASN 27 -9.056 2.645 -6.578
206 2HB ASN 27 1HB ASN 27 -7.414 2.048 -6.815
207 1HD2 ASN 27 1HD2 ASN 27 -7.851 2.160 -9.198
208 2HD2 ASN 27 2HD2 ASN 27 -8.746 0.924 -9.941
209 H LEU 28 H LEU 28 -6.084 1.095 -5.154
210 HA LEU 28 HA LEU 28 -5.282 -1.502 -6.163
211 1HB LEU 28 2HB LEU 28 -3.686 0.415 -4.440
212 2HB LEU 28 1HB LEU 28 -3.046 -0.860 -5.476
213 HG LEU 28 HG LEU 28 -4.523 1.630 -6.372
214 1HD1 LEU 28 1HD1 LEU 28 -1.694 0.643 -6.861
215 2HD1 LEU 28 2HD1 LEU 28 -2.143 1.935 -5.749
216 3HD1 LEU 28 3HD1 LEU 28 -2.388 2.140 -7.484
217 1HD2 LEU 28 1HD2 LEU 28 -3.718 -0.896 -7.805
218 2HD2 LEU 28 2HD2 LEU 28 -3.783 0.635 -8.677
219 3HD2 LEU 28 3HD2 LEU 28 -5.235 -0.003 -7.907
220 H ARG 29 H ARG 29 -5.951 -0.188 -2.949
221 HA ARG 29 HA ARG 29 -4.870 -2.554 -1.608
222 1HB ARG 29 2HB ARG 29 -6.416 -0.146 -0.638
223 2HB ARG 29 1HB ARG 29 -5.947 -1.469 0.430
224 1HG ARG 29 2HG ARG 29 -3.570 -1.141 -0.281
225 2HG ARG 29 1HG ARG 29 -4.081 0.264 -1.216
226 1HD ARG 29 2HD ARG 29 -4.611 -0.019 1.750
227 2HD ARG 29 1HD ARG 29 -3.185 0.786 1.101
228 HE ARG 29 HE ARG 29 -5.304 2.014 -0.204
229 1HH1 ARG 29 1HH2 ARG 29 -4.404 1.367 3.064
230 2HH1 ARG 29 2HH2 ARG 29 -5.178 2.782 3.694
231 1HH2 ARG 29 1HH1 ARG 29 -6.317 3.861 0.601
232 2HH2 ARG 29 2HH1 ARG 29 -6.261 4.194 2.299
233 H ARG 30 H ARG 30 -8.169 -1.255 -2.189
234 HA ARG 30 HA ARG 30 -9.533 -3.384 -0.869
235 1HB ARG 30 2HB ARG 30 -10.601 -1.248 -1.657
236 2HB ARG 30 1HB ARG 30 -10.513 -1.866 -3.307
237 1HG ARG 30 2HG ARG 30 -11.899 -3.789 -2.694
238 2HG ARG 30 1HG ARG 30 -11.928 -3.257 -1.012
239 1HD ARG 30 2HD ARG 30 -13.019 -1.667 -3.353
240 2HD ARG 30 1HD ARG 30 -13.996 -2.605 -2.225
241 HE ARG 30 HE ARG 30 -12.543 -0.912 -0.584
242 1HH1 ARG 30 1HH2 ARG 30 -14.563 -0.567 -3.359
243 2HH1 ARG 30 2HH2 ARG 30 -15.141 1.001 -2.905
244 1HH2 ARG 30 1HH1 ARG 30 -13.285 1.130 0.022
245 2HH2 ARG 30 2HH1 ARG 30 -14.418 1.963 -0.991
246 H GLU 31 H GLU 31 -8.476 -3.034 -4.256
247 HA GLU 31 HA GLU 31 -9.525 -5.549 -5.162
248 1HB GLU 31 2HB GLU 31 -7.186 -3.877 -6.131
249 2HB GLU 31 1HB GLU 31 -7.784 -5.302 -6.980
250 1HG GLU 31 2HG GLU 31 -9.495 -2.898 -6.289
251 2HG GLU 31 1HG GLU 31 -8.724 -3.146 -7.856
252 H ARG 32 H ARG 32 -6.947 -4.764 -3.068
253 HA ARG 32 HA ARG 32 -5.449 -7.248 -3.626
254 1HB ARG 32 2HB ARG 32 -4.417 -4.949 -3.034
255 2HB ARG 32 1HB ARG 32 -4.886 -5.327 -1.376
256 1HG ARG 32 2HG ARG 32 -2.770 -6.257 -1.399
257 2HG ARG 32 1HG ARG 32 -3.710 -7.644 -1.947
258 1HD ARG 32 2HD ARG 32 -3.302 -6.792 -4.328
259 2HD ARG 32 1HD ARG 32 -2.100 -5.712 -3.625
260 HE ARG 32 HE ARG 32 -1.414 -8.213 -2.638
261 1HH1 ARG 32 1HH2 ARG 32 -2.013 -6.813 -5.732
262 2HH1 ARG 32 2HH2 ARG 32 -0.900 -7.847 -6.563
263 1HH2 ARG 32 1HH1 ARG 32 0.043 -9.572 -3.706
264 2HH2 ARG 32 2HH1 ARG 32 0.265 -9.409 -5.416
265 H GLY 33 H GLY 33 -8.053 -6.291 -1.643
266 1HA GLY 33 2HA GLY 33 -9.262 -7.818 -0.234
267 2HA GLY 33 1HA GLY 33 -7.829 -8.841 -0.157
268 H LEU 34 H LEU 34 -6.809 -5.714 0.328
269 HA LEU 34 HA LEU 34 -6.896 -6.108 3.290
270 1HB LEU 34 2HB LEU 34 -4.997 -4.327 1.745
271 2HB LEU 34 1HB LEU 34 -4.856 -4.850 3.423
272 HG LEU 34 HG LEU 34 -4.749 -6.675 1.004
273 1HD1 LEU 34 1HD1 LEU 34 -2.400 -6.834 1.391
274 2HD1 LEU 34 2HD1 LEU 34 -2.525 -6.005 2.942
275 3HD1 LEU 34 3HD1 LEU 34 -2.767 -5.110 1.442
276 1HD2 LEU 34 1HD2 LEU 34 -3.875 -8.256 2.878
277 2HD2 LEU 34 2HD2 LEU 34 -5.613 -7.972 2.777
278 3HD2 LEU 34 3HD2 LEU 34 -4.650 -7.122 3.986
279 H PHE 35 H PHE 35 -7.073 -4.082 4.585
280 HA PHE 35 HA PHE 35 -8.300 -2.153 5.128
281 1HB PHE 35 2HB PHE 35 -7.310 -1.514 2.341
282 2HB PHE 35 1HB PHE 35 -8.170 -0.342 3.340
283 HD1 PHE 35 1HD PHE 35 -5.091 -2.366 3.019
284 HD2 PHE 35 2HD PHE 35 -7.143 0.639 5.303
285 HE1 PHE 35 1HE PHE 35 -2.986 -1.839 4.218
286 HE2 PHE 35 2HE PHE 35 -5.037 1.165 6.502
287 HZ PHE 35 HZ PHE 35 -2.958 -0.074 5.960
Start of MODEL 10
1 1H LEU 1 1HT LEU 1 1.679 -0.119 8.966
2 2H LEU 1 2HT LEU 1 2.533 -0.979 10.157
3 3H LEU 1 3HT LEU 1 1.146 -0.092 10.576
4 HA LEU 1 HA LEU 1 0.381 -2.271 10.517
5 1HB LEU 1 2HB LEU 1 -0.095 -1.307 7.687
6 2HB LEU 1 1HB LEU 1 -1.167 -2.282 8.692
7 HG LEU 1 HG LEU 1 -0.371 0.595 9.221
8 1HD1 LEU 1 1HD1 LEU 1 -3.102 -0.541 8.578
9 2HD1 LEU 1 2HD1 LEU 1 -2.028 0.115 7.343
10 3HD1 LEU 1 3HD1 LEU 1 -2.625 1.156 8.635
11 1HD2 LEU 1 1HD2 LEU 1 -2.269 0.293 10.966
12 2HD2 LEU 1 2HD2 LEU 1 -0.688 -0.389 11.347
13 3HD2 LEU 1 3HD2 LEU 1 -1.984 -1.436 10.766
14 H SER 2 H SER 2 2.122 -3.774 10.587
15 HA SER 2 HA SER 2 3.652 -5.344 9.724
16 1HB SER 2 2HB SER 2 2.659 -6.849 8.212
17 2HB SER 2 1HB SER 2 1.268 -6.102 8.992
18 HG SER 2 HG SER 2 0.906 -4.901 7.218
19 H ASP 3 H ASP 3 4.912 -3.164 9.223
20 HA ASP 3 HA ASP 3 5.132 -2.164 6.587
21 1HB ASP 3 2HB ASP 3 6.249 -1.147 8.566
22 2HB ASP 3 1HB ASP 3 7.373 -2.507 8.607
23 H GLU 4 H GLU 4 6.499 -5.056 8.073
24 HA GLU 4 HA GLU 4 8.240 -5.720 5.860
25 1HB GLU 4 2HB GLU 4 8.371 -6.654 8.233
26 2HB GLU 4 1HB GLU 4 6.991 -7.669 7.811
27 1HG GLU 4 2HG GLU 4 8.286 -8.577 5.886
28 2HG GLU 4 1HG GLU 4 9.678 -7.626 6.406
29 H ASP 5 H ASP 5 5.033 -6.938 6.872
30 HA ASP 5 HA ASP 5 4.650 -8.507 4.477
31 1HB ASP 5 2HB ASP 5 3.425 -8.584 6.822
32 2HB ASP 5 1HB ASP 5 2.340 -7.423 6.055
33 H PHE 6 H PHE 6 3.513 -5.291 5.509
34 HA PHE 6 HA PHE 6 1.946 -4.666 3.240
35 1HB PHE 6 2HB PHE 6 1.981 -3.252 5.244
36 2HB PHE 6 1HB PHE 6 3.665 -2.827 4.932
37 HD1 PHE 6 1HD PHE 6 0.177 -2.340 3.884
38 HD2 PHE 6 2HD PHE 6 4.279 -1.370 3.055
39 HE1 PHE 6 1HE PHE 6 -0.560 -0.501 2.393
40 HE2 PHE 6 2HE PHE 6 3.542 0.470 1.563
41 HZ PHE 6 HZ PHE 6 1.123 0.904 1.232
42 H ARG 7 H ARG 7 5.346 -3.686 3.816
43 HA ARG 7 HA ARG 7 5.871 -2.570 1.309
44 1HB ARG 7 2HB ARG 7 7.447 -2.579 3.250
45 2HB ARG 7 1HB ARG 7 7.801 -4.274 2.916
46 1HG ARG 7 2HG ARG 7 8.576 -3.661 0.649
47 2HG ARG 7 1HG ARG 7 8.240 -1.965 0.998
48 1HD ARG 7 2HD ARG 7 10.180 -3.708 2.542
49 2HD ARG 7 1HD ARG 7 10.636 -2.511 1.333
50 HE ARG 7 HE ARG 7 9.089 -1.086 3.146
51 1HH1 ARG 7 1HH2 ARG 7 11.852 -3.144 3.282
52 2HH1 ARG 7 2HH2 ARG 7 12.540 -2.351 4.659
53 1HH2 ARG 7 1HH1 ARG 7 9.970 -0.040 4.940
54 2HH2 ARG 7 2HH1 ARG 7 11.474 -0.592 5.599
55 H ALA 8 H ALA 8 5.843 -5.992 2.214
56 HA ALA 8 HA ALA 8 6.926 -6.974 -0.264
57 1HB ALA 8 1HB ALA 8 5.011 -8.409 1.592
58 2HB ALA 8 2HB ALA 8 6.743 -8.276 1.896
59 3HB ALA 8 3HB ALA 8 6.160 -9.142 0.475
60 H VAL 9 H VAL 9 3.692 -6.016 0.729
61 HA VAL 9 HA VAL 9 2.371 -7.324 -1.509
62 HB VAL 9 HB VAL 9 1.429 -5.167 0.397
63 1HG1 VAL 9 1HG1 VAL 9 -0.853 -5.944 -0.452
64 2HG1 VAL 9 2HG1 VAL 9 0.011 -6.718 -1.780
65 3HG1 VAL 9 3HG1 VAL 9 0.093 -4.968 -1.575
66 1HG2 VAL 9 1HG2 VAL 9 1.987 -7.527 1.249
67 2HG2 VAL 9 2HG2 VAL 9 0.635 -8.084 0.262
68 3HG2 VAL 9 3HG2 VAL 9 0.356 -6.942 1.577
69 1HN PF5 10 H PF5 10 3.146 -3.880 -0.807
70 HA PF5 10 HA PF5 10 2.553 -3.322 -3.677
71 1HB PF5 10 1HB PF5 10 2.199 -1.038 -3.033
72 2HB PF5 10 2HB PF5 10 2.923 -1.314 -1.442
73 H GLY 11 H GLY 11 5.169 -4.208 -2.019
74 1HA GLY 11 2HA GLY 11 7.474 -3.867 -2.306
75 2HA GLY 11 1HA GLY 11 7.047 -3.328 -3.930
76 H MET 12 H MET 12 5.654 -1.611 -1.266
77 HA MET 12 HA MET 12 7.763 0.474 -1.393
78 1HB MET 12 2HB MET 12 5.619 0.751 -3.018
79 2HB MET 12 1HB MET 12 4.970 1.475 -1.546
80 1HG MET 12 2HG MET 12 7.089 2.869 -1.425
81 2HG MET 12 1HG MET 12 7.472 2.284 -3.045
82 1HE MET 12 1HE MET 12 4.769 3.497 -5.304
83 2HE MET 12 2HE MET 12 4.236 2.178 -4.264
84 3HE MET 12 3HE MET 12 5.894 2.204 -4.862
85 H THR 13 H THR 13 7.551 2.039 0.393
86 HA THR 13 HA THR 13 6.650 0.731 2.840
87 HB THR 13 HB THR 13 7.346 3.037 3.818
88 HG1 THR 13 1HG THR 13 7.295 3.694 1.363
89 1HG2 THR 13 1HG2 THR 13 9.711 2.421 3.687
90 2HG2 THR 13 2HG2 THR 13 9.379 1.372 2.307
91 3HG2 THR 13 3HG2 THR 13 8.725 0.973 3.896
92 H ARG 14 H ARG 14 4.986 1.516 4.249
93 HA ARG 14 HA ARG 14 2.588 2.371 3.005
94 1HB ARG 14 2HB ARG 14 3.447 2.644 5.902
95 2HB ARG 14 1HB ARG 14 1.796 2.860 5.319
96 1HG ARG 14 2HG ARG 14 1.881 0.528 4.391
97 2HG ARG 14 1HG ARG 14 3.455 0.327 5.160
98 1HD ARG 14 2HD ARG 14 0.777 0.748 6.498
99 2HD ARG 14 1HD ARG 14 1.909 -0.579 6.723
100 HE ARG 14 HE ARG 14 1.959 1.915 8.146
101 1HH1 ARG 14 1HH2 ARG 14 3.986 -0.387 6.553
102 2HH1 ARG 14 2HH2 ARG 14 5.389 0.007 7.490
103 1HH2 ARG 14 1HH1 ARG 14 3.781 2.429 9.379
104 2HH2 ARG 14 2HH1 ARG 14 5.271 1.599 9.085
105 H SER 15 H SER 15 5.267 4.228 4.333
106 HA SER 15 HA SER 15 3.868 6.750 4.466
107 1HB SER 15 2HB SER 15 6.057 7.751 4.704
108 2HB SER 15 1HB SER 15 6.062 6.238 5.606
109 HG SER 15 HG SER 15 6.917 5.314 3.572
110 H ALA 16 H ALA 16 5.982 5.269 2.004
111 HA ALA 16 HA ALA 16 5.617 7.466 0.133
112 1HB ALA 16 1HB ALA 16 7.613 6.236 -0.182
113 2HB ALA 16 2HB ALA 16 6.572 5.695 -1.499
114 3HB ALA 16 3HB ALA 16 6.777 4.688 -0.066
115 H PHE 17 H PHE 17 4.174 4.256 0.599
116 HA PHE 17 HA PHE 17 2.614 4.163 -1.772
117 1HB PHE 17 2HB PHE 17 2.939 2.302 -0.062
118 2HB PHE 17 1HB PHE 17 1.724 3.115 0.926
119 HD1 PHE 17 1HD PHE 17 2.284 1.793 -2.536
120 HD2 PHE 17 2HD PHE 17 -0.555 2.690 0.562
121 HE1 PHE 17 1HE PHE 17 0.484 0.737 -3.878
122 HE2 PHE 17 2HE PHE 17 -2.354 1.636 -0.781
123 HZ PHE 17 HZ PHE 17 -1.834 0.660 -3.001
124 H ALA 18 H ALA 18 1.968 5.671 1.378
125 HA ALA 18 HA ALA 18 -0.727 6.443 0.898
126 1HB ALA 18 1HB ALA 18 0.185 6.684 3.116
127 2HB ALA 18 2HB ALA 18 -0.207 8.305 2.542
128 3HB ALA 18 3HB ALA 18 1.467 7.746 2.534
129 H ASN 19 H ASN 19 2.204 7.524 -0.525
130 HA ASN 19 HA ASN 19 1.519 10.212 -1.194
131 1HB ASN 19 2HB ASN 19 3.786 9.070 -1.450
132 2HB ASN 19 1HB ASN 19 3.150 8.344 -2.926
133 1HD2 ASN 19 1HD2 ASN 19 3.659 9.542 -4.755
134 2HD2 ASN 19 2HD2 ASN 19 3.848 11.228 -4.800
135 H LEU 20 H LEU 20 0.750 7.132 -2.777
136 HA LEU 20 HA LEU 20 -0.251 8.098 -5.236
137 1HB LEU 20 2HB LEU 20 -1.368 5.815 -3.578
138 2HB LEU 20 1HB LEU 20 -1.587 6.044 -5.314
139 HG LEU 20 HG LEU 20 1.083 5.650 -3.928
140 1HD1 LEU 20 1HD1 LEU 20 -0.740 3.807 -5.483
141 2HD1 LEU 20 2HD1 LEU 20 -0.048 3.558 -3.879
142 3HD1 LEU 20 3HD1 LEU 20 0.984 3.483 -5.307
143 1HD2 LEU 20 1HD2 LEU 20 1.591 6.870 -5.855
144 2HD2 LEU 20 2HD2 LEU 20 0.228 6.207 -6.756
145 3HD2 LEU 20 3HD2 LEU 20 1.658 5.217 -6.467
146 HA PRO 21 HA PRO 21 -3.863 10.542 -4.554
147 1HB PRO 21 2HB PRO 21 -5.225 8.437 -6.229
148 2HB PRO 21 1HB PRO 21 -5.363 10.207 -6.323
149 1HG PRO 21 2HG PRO 21 -3.840 8.927 -8.043
150 2HG PRO 21 1HG PRO 21 -3.279 10.445 -7.316
151 1HD PRO 21 2HD PRO 21 -2.390 7.647 -6.738
152 2HD PRO 21 1HD PRO 21 -1.462 9.161 -6.669
153 H LEU 22 H LEU 22 -5.524 10.592 -3.055
154 HA LEU 22 HA LEU 22 -5.735 8.577 -1.087
155 1HB LEU 22 2HB LEU 22 -6.406 10.951 -0.780
156 2HB LEU 22 1HB LEU 22 -7.815 10.664 -1.801
157 HG LEU 22 HG LEU 22 -8.545 8.875 -0.215
158 1HD1 LEU 22 1HD1 LEU 22 -5.997 9.733 1.111
159 2HD1 LEU 22 2HD1 LEU 22 -6.668 8.113 0.922
160 3HD1 LEU 22 3HD1 LEU 22 -7.343 9.212 2.124
161 1HD2 LEU 22 1HD2 LEU 22 -8.062 11.494 1.228
162 2HD2 LEU 22 2HD2 LEU 22 -9.425 10.391 1.419
163 3HD2 LEU 22 3HD2 LEU 22 -9.250 11.329 -0.065
164 H TRP 23 H TRP 23 -7.733 9.109 -3.978
165 HA TRP 23 HA TRP 23 -9.627 7.018 -3.237
166 1HB TRP 23 2HB TRP 23 -10.643 7.439 -5.389
167 2HB TRP 23 1HB TRP 23 -10.199 8.994 -4.683
168 HD1 TRP 23 HD TRP 23 -8.466 10.448 -5.931
169 HE1 TRP 23 1HE TRP 23 -7.168 10.193 -8.145
170 HE3 TRP 23 3HE TRP 23 -9.497 5.563 -7.001
171 HZ2 TRP 23 2HZ TRP 23 -6.640 8.182 -10.111
172 HZ3 TRP 23 3HZ TRP 23 -8.586 4.504 -9.047
173 HH2 TRP 23 HH TRP 23 -7.159 5.806 -10.602
174 H ARG 24 H ARG 24 -6.729 7.211 -5.246
175 HA ARG 24 HA ARG 24 -7.106 4.692 -6.583
176 1HB ARG 24 2HB ARG 24 -5.536 6.462 -7.362
177 2HB ARG 24 1HB ARG 24 -4.504 6.118 -5.974
178 1HG ARG 24 2HG ARG 24 -4.208 3.807 -6.726
179 2HG ARG 24 1HG ARG 24 -5.298 4.090 -8.083
180 1HD ARG 24 2HD ARG 24 -3.518 4.756 -9.288
181 2HD ARG 24 1HD ARG 24 -3.383 6.152 -8.213
182 HE ARG 24 HE ARG 24 -2.090 4.159 -6.815
183 1HH1 ARG 24 1HH2 ARG 24 -1.948 5.407 -10.024
184 2HH1 ARG 24 2HH2 ARG 24 -0.252 5.109 -10.210
185 1HH2 ARG 24 1HH1 ARG 24 0.127 3.763 -7.036
186 2HH2 ARG 24 2HH1 ARG 24 0.923 4.179 -8.516
187 H GLN 25 H GLN 25 -5.108 5.561 -3.727
188 HA GLN 25 HA GLN 25 -3.994 3.064 -3.200
189 1HB GLN 25 2HB GLN 25 -4.095 3.717 -0.762
190 2HB GLN 25 1HB GLN 25 -3.393 4.940 -1.824
191 1HG GLN 25 2HG GLN 25 -5.612 6.072 -1.945
192 2HG GLN 25 1HG GLN 25 -6.250 4.892 -0.799
193 1HE2 GLN 25 1HE2 GLN 25 -5.780 5.193 1.423
194 2HE2 GLN 25 2HE2 GLN 25 -4.833 6.470 2.017
195 H GLN 26 H GLN 26 -7.292 4.155 -2.367
196 HA GLN 26 HA GLN 26 -8.021 1.728 -0.992
197 1HB GLN 26 2HB GLN 26 -9.723 3.756 -2.475
198 2HB GLN 26 1HB GLN 26 -10.374 2.447 -1.489
199 1HG GLN 26 2HG GLN 26 -9.158 3.324 0.476
200 2HG GLN 26 1HG GLN 26 -8.526 4.643 -0.510
201 1HE2 GLN 26 1HE2 GLN 26 -10.041 5.392 1.685
202 2HE2 GLN 26 2HE2 GLN 26 -11.569 5.946 1.193
203 H ASN 27 H ASN 27 -8.054 2.747 -4.364
204 HA ASN 27 HA ASN 27 -9.527 0.529 -5.424
205 1HB ASN 27 2HB ASN 27 -8.954 2.679 -6.637
206 2HB ASN 27 1HB ASN 27 -7.311 2.065 -6.812
207 1HD2 ASN 27 1HD2 ASN 27 -10.720 1.127 -7.529
208 2HD2 ASN 27 2HD2 ASN 27 -10.335 0.249 -8.931
209 H LEU 28 H LEU 28 -5.993 1.090 -5.235
210 HA LEU 28 HA LEU 28 -5.306 -1.559 -6.138
211 1HB LEU 28 2HB LEU 28 -3.631 0.297 -4.425
212 2HB LEU 28 1HB LEU 28 -3.048 -1.005 -5.460
213 HG LEU 28 HG LEU 28 -4.418 1.545 -6.360
214 1HD1 LEU 28 1HD1 LEU 28 -2.047 1.803 -5.750
215 2HD1 LEU 28 2HD1 LEU 28 -2.248 1.929 -7.497
216 3HD1 LEU 28 3HD1 LEU 28 -1.624 0.439 -6.787
217 1HD2 LEU 28 1HD2 LEU 28 -3.701 -1.008 -7.793
218 2HD2 LEU 28 2HD2 LEU 28 -3.718 0.527 -8.662
219 3HD2 LEU 28 3HD2 LEU 28 -5.189 -0.067 -7.892
220 H ARG 29 H ARG 29 -5.926 -0.170 -2.945
221 HA ARG 29 HA ARG 29 -4.881 -2.466 -1.511
222 1HB ARG 29 2HB ARG 29 -6.585 -0.106 -0.719
223 2HB ARG 29 1HB ARG 29 -6.207 -1.401 0.418
224 1HG ARG 29 2HG ARG 29 -3.798 -1.042 0.043
225 2HG ARG 29 1HG ARG 29 -4.164 0.245 -1.105
226 1HD ARG 29 2HD ARG 29 -4.931 0.237 1.829
227 2HD ARG 29 1HD ARG 29 -3.620 1.173 1.115
228 HE ARG 29 HE ARG 29 -5.851 1.916 -0.356
229 1HH1 ARG 29 1HH2 ARG 29 -4.982 1.770 2.981
230 2HH1 ARG 29 2HH2 ARG 29 -5.981 3.110 3.434
231 1HH2 ARG 29 1HH1 ARG 29 -7.157 3.662 0.219
232 2HH2 ARG 29 2HH1 ARG 29 -7.213 4.181 1.871
233 H ARG 30 H ARG 30 -8.207 -1.401 -2.346
234 HA ARG 30 HA ARG 30 -9.437 -3.703 -1.108
235 1HB ARG 30 2HB ARG 30 -10.374 -1.696 -3.160
236 2HB ARG 30 1HB ARG 30 -11.384 -3.063 -2.684
237 1HG ARG 30 2HG ARG 30 -11.368 -2.354 -0.372
238 2HG ARG 30 1HG ARG 30 -10.174 -1.102 -0.716
239 1HD ARG 30 2HD ARG 30 -12.946 -1.199 -1.938
240 2HD ARG 30 1HD ARG 30 -12.502 -0.204 -0.553
241 HE ARG 30 HE ARG 30 -10.646 0.493 -2.487
242 1HH1 ARG 30 1HH2 ARG 30 -14.082 0.279 -2.291
243 2HH1 ARG 30 2HH2 ARG 30 -14.359 1.570 -3.413
244 1HH2 ARG 30 1HH1 ARG 30 -10.987 2.176 -3.949
245 2HH2 ARG 30 2HH1 ARG 30 -12.605 2.644 -4.352
246 H GLU 31 H GLU 31 -8.138 -3.038 -4.321
247 HA GLU 31 HA GLU 31 -9.183 -5.211 -5.775
248 1HB GLU 31 2HB GLU 31 -7.661 -3.400 -6.669
249 2HB GLU 31 1HB GLU 31 -6.310 -4.239 -5.909
250 1HG GLU 31 2HG GLU 31 -6.895 -6.283 -7.219
251 2HG GLU 31 1HG GLU 31 -8.153 -5.358 -8.040
252 H ARG 32 H ARG 32 -6.816 -5.151 -3.209
253 HA ARG 32 HA ARG 32 -6.249 -8.045 -3.655
254 1HB ARG 32 2HB ARG 32 -4.763 -5.962 -2.029
255 2HB ARG 32 1HB ARG 32 -4.306 -7.663 -2.143
256 1HG ARG 32 2HG ARG 32 -4.052 -7.439 -4.584
257 2HG ARG 32 1HG ARG 32 -4.521 -5.742 -4.480
258 1HD ARG 32 2HD ARG 32 -2.533 -5.768 -2.649
259 2HD ARG 32 1HD ARG 32 -1.964 -7.051 -3.716
260 HE ARG 32 HE ARG 32 -1.738 -4.309 -4.309
261 1HH1 ARG 32 1HH2 ARG 32 -3.055 -7.188 -5.674
262 2HH1 ARG 32 2HH2 ARG 32 -2.835 -6.671 -7.312
263 1HH2 ARG 32 1HH1 ARG 32 -1.444 -3.617 -6.439
264 2HH2 ARG 32 2HH1 ARG 32 -1.924 -4.647 -7.746
265 H GLY 33 H GLY 33 -8.260 -6.118 -1.822
266 1HA GLY 33 2HA GLY 33 -9.671 -6.776 -0.037
267 2HA GLY 33 1HA GLY 33 -8.820 -8.320 0.012
268 H LEU 34 H LEU 34 -6.385 -6.157 0.061
269 HA LEU 34 HA LEU 34 -6.250 -6.251 3.031
270 1HB LEU 34 2HB LEU 34 -4.057 -5.470 1.094
271 2HB LEU 34 1HB LEU 34 -3.880 -5.911 2.793
272 HG LEU 34 HG LEU 34 -4.862 -7.751 0.592
273 1HD1 LEU 34 1HD1 LEU 34 -2.236 -7.524 2.083
274 2HD1 LEU 34 2HD1 LEU 34 -2.496 -7.417 0.342
275 3HD1 LEU 34 3HD1 LEU 34 -2.701 -8.960 1.171
276 1HD2 LEU 34 1HD2 LEU 34 -4.557 -8.023 3.578
277 2HD2 LEU 34 2HD2 LEU 34 -4.422 -9.439 2.535
278 3HD2 LEU 34 3HD2 LEU 34 -5.915 -8.500 2.559
279 H PHE 35 H PHE 35 -6.492 -4.406 4.210
280 HA PHE 35 HA PHE 35 -5.699 -1.797 3.269
281 1HB PHE 35 2HB PHE 35 -7.853 -0.785 2.914
282 2HB PHE 35 1HB PHE 35 -7.798 -2.235 1.910
283 HD1 PHE 35 1HD PHE 35 -9.375 -0.601 4.764
284 HD2 PHE 35 2HD PHE 35 -8.961 -4.317 2.650
285 HE1 PHE 35 1HE PHE 35 -11.379 -1.486 5.926
286 HE2 PHE 35 2HE PHE 35 -10.965 -5.201 3.811
287 HZ PHE 35 HZ PHE 35 -12.175 -3.786 5.450
Start of MODEL 11
1 1H LEU 1 1HT LEU 1 2.620 -1.623 10.588
2 2H LEU 1 2HT LEU 1 1.619 -1.243 11.907
3 3H LEU 1 3HT LEU 1 1.666 -0.222 10.549
4 HA LEU 1 HA LEU 1 0.140 -2.617 10.995
5 1HB LEU 1 2HB LEU 1 0.050 -0.192 9.201
6 2HB LEU 1 1HB LEU 1 -1.075 -1.532 8.982
7 HG LEU 1 HG LEU 1 -1.753 -1.310 11.370
8 1HD1 LEU 1 1HD1 LEU 1 0.236 0.955 11.226
9 2HD1 LEU 1 2HD1 LEU 1 0.126 -0.334 12.425
10 3HD1 LEU 1 3HD1 LEU 1 -1.072 0.959 12.410
11 1HD2 LEU 1 1HD2 LEU 1 -2.899 0.943 11.073
12 2HD2 LEU 1 2HD2 LEU 1 -3.143 -0.200 9.753
13 3HD2 LEU 1 3HD2 LEU 1 -1.986 1.119 9.575
14 H SER 2 H SER 2 1.353 -4.419 10.308
15 HA SER 2 HA SER 2 2.436 -5.852 8.784
16 1HB SER 2 2HB SER 2 1.298 -5.684 6.439
17 2HB SER 2 1HB SER 2 0.327 -6.194 7.816
18 HG SER 2 HG SER 2 -0.654 -4.523 6.545
19 H ASP 3 H ASP 3 3.701 -3.238 9.163
20 HA ASP 3 HA ASP 3 4.469 -1.975 6.757
21 1HB ASP 3 2HB ASP 3 5.066 -1.113 9.000
22 2HB ASP 3 1HB ASP 3 6.178 -2.465 9.219
23 H GLU 4 H GLU 4 5.558 -4.990 8.212
24 HA GLU 4 HA GLU 4 7.763 -5.345 6.331
25 1HB GLU 4 2HB GLU 4 7.606 -6.388 8.658
26 2HB GLU 4 1HB GLU 4 6.408 -7.491 7.980
27 1HG GLU 4 2HG GLU 4 8.070 -8.176 6.249
28 2HG GLU 4 1HG GLU 4 9.270 -7.151 7.039
29 H ASP 5 H ASP 5 4.645 -7.043 6.809
30 HA ASP 5 HA ASP 5 4.746 -8.449 4.317
31 1HB ASP 5 2HB ASP 5 2.452 -7.658 6.128
32 2HB ASP 5 1HB ASP 5 2.221 -8.624 4.670
33 H PHE 6 H PHE 6 3.376 -5.312 5.245
34 HA PHE 6 HA PHE 6 2.012 -4.699 2.844
35 1HB PHE 6 2HB PHE 6 1.842 -3.307 4.864
36 2HB PHE 6 1HB PHE 6 3.532 -2.835 4.693
37 HD1 PHE 6 1HD PHE 6 0.128 -2.419 3.384
38 HD2 PHE 6 2HD PHE 6 4.258 -1.360 2.861
39 HE1 PHE 6 1HE PHE 6 -0.536 -0.590 1.846
40 HE2 PHE 6 2HE PHE 6 3.594 0.469 1.323
41 HZ PHE 6 HZ PHE 6 1.197 0.854 0.817
42 H ARG 7 H ARG 7 5.322 -3.653 3.743
43 HA ARG 7 HA ARG 7 6.055 -2.501 1.307
44 1HB ARG 7 2HB ARG 7 7.440 -2.514 3.394
45 2HB ARG 7 1HB ARG 7 7.870 -4.191 3.054
46 1HG ARG 7 2HG ARG 7 8.802 -3.482 0.861
47 2HG ARG 7 1HG ARG 7 8.434 -1.806 1.268
48 1HD ARG 7 2HD ARG 7 10.258 -3.631 2.860
49 2HD ARG 7 1HD ARG 7 10.794 -2.357 1.768
50 HE ARG 7 HE ARG 7 9.098 -1.055 3.539
51 1HH1 ARG 7 1HH2 ARG 7 11.858 -3.110 3.765
52 2HH1 ARG 7 2HH2 ARG 7 12.426 -2.404 5.241
53 1HH2 ARG 7 1HH1 ARG 7 9.823 -0.124 5.461
54 2HH2 ARG 7 2HH1 ARG 7 11.274 -0.713 6.201
55 H ALA 8 H ALA 8 5.969 -5.931 2.161
56 HA ALA 8 HA ALA 8 7.302 -6.854 -0.228
57 1HB ALA 8 1HB ALA 8 7.097 -8.240 1.806
58 2HB ALA 8 2HB ALA 8 6.410 -9.065 0.407
59 3HB ALA 8 3HB ALA 8 5.349 -8.298 1.589
60 H VAL 9 H VAL 9 3.973 -6.010 0.525
61 HA VAL 9 HA VAL 9 2.855 -7.338 -1.802
62 HB VAL 9 HB VAL 9 1.738 -5.205 0.032
63 1HG1 VAL 9 1HG1 VAL 9 0.545 -4.978 -2.017
64 2HG1 VAL 9 2HG1 VAL 9 -0.464 -6.017 -1.011
65 3HG1 VAL 9 3HG1 VAL 9 0.528 -6.721 -2.287
66 1HG2 VAL 9 1HG2 VAL 9 0.588 -7.004 1.099
67 2HG2 VAL 9 2HG2 VAL 9 2.246 -7.570 0.897
68 3HG2 VAL 9 3HG2 VAL 9 0.985 -8.126 -0.202
69 1HN PF5 10 H PF5 10 3.511 -3.878 -1.065
70 HA PF5 10 HA PF5 10 3.060 -3.317 -3.954
71 1HB PF5 10 1HB PF5 10 2.812 -0.997 -3.296
72 2HB PF5 10 2HB PF5 10 3.385 -1.360 -1.662
73 H GLY 11 H GLY 11 5.615 -3.914 -1.854
74 1HA GLY 11 2HA GLY 11 7.930 -3.811 -2.273
75 2HA GLY 11 1HA GLY 11 7.555 -3.179 -3.876
76 H MET 12 H MET 12 6.339 -1.666 -0.950
77 HA MET 12 HA MET 12 8.465 0.320 -0.818
78 1HB MET 12 2HB MET 12 6.946 2.241 -1.434
79 2HB MET 12 1HB MET 12 7.381 1.201 -2.791
80 1HG MET 12 2HG MET 12 5.209 -0.095 -2.236
81 2HG MET 12 1HG MET 12 4.769 1.327 -1.291
82 1HE MET 12 1HE MET 12 6.199 3.770 -3.382
83 2HE MET 12 2HE MET 12 5.106 3.558 -2.016
84 3HE MET 12 3HE MET 12 4.486 4.183 -3.541
85 H THR 13 H THR 13 8.105 1.819 0.965
86 HA THR 13 HA THR 13 6.645 0.611 3.151
87 HB THR 13 HB THR 13 7.245 2.845 4.292
88 HG1 THR 13 1HG THR 13 7.451 3.979 2.295
89 1HG2 THR 13 1HG2 THR 13 8.575 0.755 4.490
90 2HG2 THR 13 2HG2 THR 13 9.593 2.195 4.508
91 3HG2 THR 13 3HG2 THR 13 9.476 1.215 3.045
92 H ARG 14 H ARG 14 4.808 1.533 4.269
93 HA ARG 14 HA ARG 14 2.678 2.400 2.630
94 1HB ARG 14 2HB ARG 14 3.092 2.854 5.600
95 2HB ARG 14 1HB ARG 14 1.560 3.065 4.753
96 1HG ARG 14 2HG ARG 14 1.757 0.659 3.990
97 2HG ARG 14 1HG ARG 14 3.131 0.497 5.084
98 1HD ARG 14 2HD ARG 14 0.253 1.087 5.804
99 2HD ARG 14 1HD ARG 14 1.252 -0.256 6.342
100 HE ARG 14 HE ARG 14 1.133 2.338 7.576
101 1HH1 ARG 14 1HH2 ARG 14 3.317 -0.158 6.603
102 2HH1 ARG 14 2HH2 ARG 14 4.516 0.253 7.785
103 1HH2 ARG 14 1HH1 ARG 14 2.686 2.875 9.125
104 2HH2 ARG 14 2HH1 ARG 14 4.158 1.968 9.208
105 H SER 15 H SER 15 5.222 4.248 4.201
106 HA SER 15 HA SER 15 3.970 6.822 4.075
107 1HB SER 15 2HB SER 15 6.200 7.735 4.342
108 2HB SER 15 1HB SER 15 6.083 6.288 5.340
109 HG SER 15 HG SER 15 6.846 5.683 2.819
110 H ALA 16 H ALA 16 6.037 5.067 1.768
111 HA ALA 16 HA ALA 16 5.923 7.187 -0.221
112 1HB ALA 16 1HB ALA 16 6.807 5.325 -1.736
113 2HB ALA 16 2HB ALA 16 6.779 4.286 -0.312
114 3HB ALA 16 3HB ALA 16 7.807 5.719 -0.338
115 H PHE 17 H PHE 17 4.187 4.144 0.356
116 HA PHE 17 HA PHE 17 2.677 4.109 -2.061
117 1HB PHE 17 2HB PHE 17 2.839 2.251 -0.328
118 2HB PHE 17 1HB PHE 17 1.682 3.166 0.640
119 HD1 PHE 17 1HD PHE 17 2.149 1.852 -2.844
120 HD2 PHE 17 2HD PHE 17 -0.606 2.822 0.307
121 HE1 PHE 17 1HE PHE 17 0.285 0.921 -4.187
122 HE2 PHE 17 2HE PHE 17 -2.470 1.890 -1.037
123 HZ PHE 17 HZ PHE 17 -2.024 0.940 -3.285
124 H ALA 18 H ALA 18 2.190 5.809 0.999
125 HA ALA 18 HA ALA 18 -0.475 6.709 0.547
126 1HB ALA 18 1HB ALA 18 1.807 8.068 2.015
127 2HB ALA 18 2HB ALA 18 0.621 6.971 2.721
128 3HB ALA 18 3HB ALA 18 0.114 8.551 2.120
129 H ASN 19 H ASN 19 2.451 7.492 -1.043
130 HA ASN 19 HA ASN 19 1.978 10.192 -1.811
131 1HB ASN 19 2HB ASN 19 3.387 7.980 -3.338
132 2HB ASN 19 1HB ASN 19 3.515 9.704 -3.694
133 1HD2 ASN 19 1HD2 ASN 19 5.830 8.200 -2.970
134 2HD2 ASN 19 2HD2 ASN 19 6.362 8.725 -1.446
135 H LEU 20 H LEU 20 0.736 7.152 -3.113
136 HA LEU 20 HA LEU 20 -0.341 8.240 -5.553
137 1HB LEU 20 2HB LEU 20 -1.301 5.851 -3.944
138 2HB LEU 20 1HB LEU 20 -1.668 6.178 -5.639
139 HG LEU 20 HG LEU 20 1.127 5.778 -4.530
140 1HD1 LEU 20 1HD1 LEU 20 0.893 3.641 -5.983
141 2HD1 LEU 20 2HD1 LEU 20 -0.844 3.921 -5.861
142 3HD1 LEU 20 3HD1 LEU 20 0.111 3.652 -4.402
143 1HD2 LEU 20 1HD2 LEU 20 1.394 7.046 -6.477
144 2HD2 LEU 20 2HD2 LEU 20 -0.035 6.352 -7.244
145 3HD2 LEU 20 3HD2 LEU 20 1.447 5.403 -7.118
146 HA PRO 21 HA PRO 21 -3.904 10.591 -4.441
147 1HB PRO 21 2HB PRO 21 -5.387 8.589 -6.135
148 2HB PRO 21 1HB PRO 21 -5.528 10.360 -6.112
149 1HG PRO 21 2HG PRO 21 -4.144 9.195 -8.017
150 2HG PRO 21 1HG PRO 21 -3.519 10.662 -7.238
151 1HD PRO 21 2HD PRO 21 -2.617 7.826 -6.898
152 2HD PRO 21 1HD PRO 21 -1.668 9.326 -6.830
153 H LEU 22 H LEU 22 -5.182 10.518 -2.649
154 HA LEU 22 HA LEU 22 -5.329 8.384 -0.877
155 1HB LEU 22 2HB LEU 22 -6.128 10.899 -0.708
156 2HB LEU 22 1HB LEU 22 -7.701 10.201 -1.089
157 HG LEU 22 HG LEU 22 -5.897 9.298 1.176
158 1HD1 LEU 22 1HD1 LEU 22 -8.384 11.022 1.093
159 2HD1 LEU 22 2HD1 LEU 22 -6.799 11.450 1.738
160 3HD1 LEU 22 3HD1 LEU 22 -7.798 10.256 2.569
161 1HD2 LEU 22 1HD2 LEU 22 -7.169 7.416 0.590
162 2HD2 LEU 22 2HD2 LEU 22 -8.553 8.389 0.089
163 3HD2 LEU 22 3HD2 LEU 22 -8.189 8.189 1.804
164 H TRP 23 H TRP 23 -7.922 9.274 -3.199
165 HA TRP 23 HA TRP 23 -9.606 7.067 -2.568
166 1HB TRP 23 2HB TRP 23 -10.783 7.584 -4.611
167 2HB TRP 23 1HB TRP 23 -10.259 9.108 -3.894
168 HD1 TRP 23 HD TRP 23 -8.506 10.538 -5.181
169 HE1 TRP 23 1HE TRP 23 -7.434 10.354 -7.518
170 HE3 TRP 23 3HE TRP 23 -9.941 5.801 -6.438
171 HZ2 TRP 23 2HZ TRP 23 -7.214 8.447 -9.641
172 HZ3 TRP 23 3HZ TRP 23 -9.287 4.826 -8.620
173 HH2 TRP 23 HH TRP 23 -7.927 6.142 -10.222
174 H ARG 24 H ARG 24 -7.040 7.382 -5.023
175 HA ARG 24 HA ARG 24 -7.477 4.884 -6.309
176 1HB ARG 24 2HB ARG 24 -5.986 6.661 -7.191
177 2HB ARG 24 1HB ARG 24 -4.838 6.313 -5.898
178 1HG ARG 24 2HG ARG 24 -4.567 4.023 -6.703
179 2HG ARG 24 1HG ARG 24 -5.783 4.293 -7.951
180 1HD ARG 24 2HD ARG 24 -4.167 5.051 -9.316
181 2HD ARG 24 1HD ARG 24 -3.887 6.388 -8.197
182 HE ARG 24 HE ARG 24 -2.478 4.317 -7.051
183 1HH1 ARG 24 1HH2 ARG 24 -2.683 5.704 -10.199
184 2HH1 ARG 24 2HH2 ARG 24 -1.026 5.390 -10.592
185 1HH2 ARG 24 1HH1 ARG 24 -0.310 3.900 -7.543
186 2HH2 ARG 24 2HH1 ARG 24 0.318 4.370 -9.087
187 H GLN 25 H GLN 25 -5.373 5.676 -3.522
188 HA GLN 25 HA GLN 25 -4.127 3.193 -3.196
189 1HB GLN 25 2HB GLN 25 -5.158 5.061 -1.047
190 2HB GLN 25 1HB GLN 25 -4.041 3.726 -0.760
191 1HG GLN 25 2HG GLN 25 -2.399 4.722 -2.277
192 2HG GLN 25 1HG GLN 25 -3.523 6.021 -2.677
193 1HE2 GLN 25 1HE2 GLN 25 -2.308 7.761 -1.762
194 2HE2 GLN 25 2HE2 GLN 25 -1.987 7.887 -0.100
195 H GLN 26 H GLN 26 -7.390 4.143 -2.078
196 HA GLN 26 HA GLN 26 -7.960 1.619 -0.809
197 1HB GLN 26 2HB GLN 26 -9.830 3.662 -2.050
198 2HB GLN 26 1HB GLN 26 -10.352 2.297 -1.061
199 1HG GLN 26 2HG GLN 26 -8.401 4.416 -0.117
200 2HG GLN 26 1HG GLN 26 -10.131 4.447 0.226
201 1HE2 GLN 26 1HE2 GLN 26 -7.682 4.003 2.052
202 2HE2 GLN 26 2HE2 GLN 26 -8.050 2.569 2.884
203 H ASN 27 H ASN 27 -8.296 2.840 -4.100
204 HA ASN 27 HA ASN 27 -9.785 0.662 -5.194
205 1HB ASN 27 2HB ASN 27 -9.257 2.907 -6.293
206 2HB ASN 27 1HB ASN 27 -7.661 2.251 -6.657
207 1HD2 ASN 27 1HD2 ASN 27 -8.236 2.378 -8.998
208 2HD2 ASN 27 2HD2 ASN 27 -9.246 1.198 -9.683
209 H LEU 28 H LEU 28 -6.249 1.248 -5.184
210 HA LEU 28 HA LEU 28 -5.612 -1.355 -6.259
211 1HB LEU 28 2HB LEU 28 -3.837 0.466 -4.609
212 2HB LEU 28 1HB LEU 28 -3.312 -0.806 -5.710
213 HG LEU 28 HG LEU 28 -4.779 1.737 -6.468
214 1HD1 LEU 28 1HD1 LEU 28 -1.977 0.719 -7.040
215 2HD1 LEU 28 2HD1 LEU 28 -2.399 2.066 -5.983
216 3HD1 LEU 28 3HD1 LEU 28 -2.678 2.188 -7.721
217 1HD2 LEU 28 1HD2 LEU 28 -4.164 0.781 -8.826
218 2HD2 LEU 28 2HD2 LEU 28 -5.587 0.147 -8.000
219 3HD2 LEU 28 3HD2 LEU 28 -4.079 -0.769 -7.988
220 H ARG 29 H ARG 29 -6.021 -0.102 -2.979
221 HA ARG 29 HA ARG 29 -4.890 -2.488 -1.743
222 1HB ARG 29 2HB ARG 29 -6.419 -0.114 -0.672
223 2HB ARG 29 1HB ARG 29 -5.930 -1.461 0.357
224 1HG ARG 29 2HG ARG 29 -3.578 -1.122 -0.301
225 2HG ARG 29 1HG ARG 29 -4.059 0.217 -1.342
226 1HD ARG 29 2HD ARG 29 -4.629 0.150 1.630
227 2HD ARG 29 1HD ARG 29 -3.193 0.902 0.941
228 HE ARG 29 HE ARG 29 -5.297 2.039 -0.470
229 1HH1 ARG 29 1HH2 ARG 29 -4.417 1.633 2.842
230 2HH1 ARG 29 2HH2 ARG 29 -5.187 3.095 3.360
231 1HH2 ARG 29 1HH1 ARG 29 -6.304 3.945 0.190
232 2HH2 ARG 29 2HH1 ARG 29 -6.256 4.404 1.859
233 H ARG 30 H ARG 30 -8.209 -1.291 -2.343
234 HA ARG 30 HA ARG 30 -9.518 -3.416 -0.938
235 1HB ARG 30 2HB ARG 30 -10.561 -1.251 -1.855
236 2HB ARG 30 1HB ARG 30 -10.634 -2.081 -3.412
237 1HG ARG 30 2HG ARG 30 -12.629 -2.882 -2.683
238 2HG ARG 30 1HG ARG 30 -11.662 -3.973 -1.689
239 1HD ARG 30 2HD ARG 30 -12.892 -1.332 -0.885
240 2HD ARG 30 1HD ARG 30 -13.179 -2.921 -0.181
241 HE ARG 30 HE ARG 30 -10.471 -2.515 0.209
242 1HH1 ARG 30 1HH2 ARG 30 -13.367 -0.760 0.854
243 2HH1 ARG 30 2HH2 ARG 30 -12.742 0.010 2.275
244 1HH2 ARG 30 1HH1 ARG 30 -9.638 -1.523 2.056
245 2HH2 ARG 30 2HH1 ARG 30 -10.629 -0.424 2.955
246 H GLU 31 H GLU 31 -8.548 -3.087 -4.357
247 HA GLU 31 HA GLU 31 -9.539 -5.637 -5.210
248 1HB GLU 31 2HB GLU 31 -7.204 -3.986 -6.232
249 2HB GLU 31 1HB GLU 31 -7.879 -5.383 -7.069
250 1HG GLU 31 2HG GLU 31 -9.469 -2.915 -6.316
251 2HG GLU 31 1HG GLU 31 -8.775 -3.205 -7.912
252 H ARG 32 H ARG 32 -6.887 -4.741 -3.221
253 HA ARG 32 HA ARG 32 -5.338 -7.180 -3.751
254 1HB ARG 32 2HB ARG 32 -4.374 -4.887 -3.116
255 2HB ARG 32 1HB ARG 32 -4.910 -5.248 -1.474
256 1HG ARG 32 2HG ARG 32 -2.774 -6.129 -1.387
257 2HG ARG 32 1HG ARG 32 -3.660 -7.547 -1.950
258 1HD ARG 32 2HD ARG 32 -3.170 -6.671 -4.331
259 2HD ARG 32 1HD ARG 32 -1.972 -5.633 -3.560
260 HE ARG 32 HE ARG 32 -1.405 -8.169 -2.578
261 1HH1 ARG 32 1HH2 ARG 32 -1.806 -6.700 -5.672
262 2HH1 ARG 32 2HH2 ARG 32 -0.680 -7.750 -6.464
263 1HH2 ARG 32 1HH1 ARG 32 0.068 -9.548 -3.595
264 2HH2 ARG 32 2HH1 ARG 32 0.381 -9.363 -5.288
265 H GLY 33 H GLY 33 -7.815 -6.152 -1.517
266 1HA GLY 33 2HA GLY 33 -9.060 -7.682 -0.144
267 2HA GLY 33 1HA GLY 33 -7.752 -8.853 -0.311
268 H LEU 34 H LEU 34 -6.404 -5.871 0.374
269 HA LEU 34 HA LEU 34 -6.132 -6.637 3.245
270 1HB LEU 34 2HB LEU 34 -4.452 -4.641 1.709
271 2HB LEU 34 1HB LEU 34 -4.080 -5.390 3.262
272 HG LEU 34 HG LEU 34 -4.340 -6.867 0.626
273 1HD1 LEU 34 1HD1 LEU 34 -1.920 -7.142 0.774
274 2HD1 LEU 34 2HD1 LEU 34 -1.886 -6.273 2.308
275 3HD1 LEU 34 3HD1 LEU 34 -2.309 -5.422 0.822
276 1HD2 LEU 34 1HD2 LEU 34 -3.810 -7.710 3.474
277 2HD2 LEU 34 2HD2 LEU 34 -3.212 -8.674 2.123
278 3HD2 LEU 34 3HD2 LEU 34 -4.945 -8.402 2.313
279 H PHE 35 H PHE 35 -6.069 -4.794 4.814
280 HA PHE 35 HA PHE 35 -7.180 -2.969 5.793
281 1HB PHE 35 2HB PHE 35 -6.622 -1.964 2.995
282 2HB PHE 35 1HB PHE 35 -7.326 -0.941 4.247
283 HD1 PHE 35 1HD PHE 35 -4.334 -2.883 3.257
284 HD2 PHE 35 2HD PHE 35 -6.018 -0.161 6.121
285 HE1 PHE 35 1HE PHE 35 -2.074 -2.470 4.193
286 HE2 PHE 35 2HE PHE 35 -3.759 0.251 7.059
287 HZ PHE 35 HZ PHE 35 -1.787 -0.904 6.094
Start of MODEL 12
1 1H LEU 1 1HT LEU 1 0.700 -0.714 8.390
2 2H LEU 1 2HT LEU 1 0.666 -1.153 10.030
3 3H LEU 1 3HT LEU 1 -0.656 -0.341 9.338
4 HA LEU 1 HA LEU 1 -0.989 -2.781 9.679
5 1HB LEU 1 2HB LEU 1 -2.237 -1.338 8.009
6 2HB LEU 1 1HB LEU 1 -1.081 -1.875 6.790
7 HG LEU 1 HG LEU 1 -1.715 -4.276 7.634
8 1HD1 LEU 1 1HD1 LEU 1 -4.141 -4.326 8.334
9 2HD1 LEU 1 2HD1 LEU 1 -4.053 -2.577 8.548
10 3HD1 LEU 1 3HD1 LEU 1 -3.054 -3.638 9.543
11 1HD2 LEU 1 1HD2 LEU 1 -2.199 -3.534 5.382
12 2HD2 LEU 1 2HD2 LEU 1 -3.517 -2.509 5.952
13 3HD2 LEU 1 3HD2 LEU 1 -3.668 -4.265 6.029
14 H SER 2 H SER 2 0.836 -4.088 10.092
15 HA SER 2 HA SER 2 2.703 -5.433 9.576
16 1HB SER 2 2HB SER 2 0.609 -6.474 8.401
17 2HB SER 2 1HB SER 2 1.370 -5.904 6.919
18 HG SER 2 HG SER 2 2.427 -7.671 8.871
19 H ASP 3 H ASP 3 3.862 -3.215 9.308
20 HA ASP 3 HA ASP 3 4.413 -2.096 6.767
21 1HB ASP 3 2HB ASP 3 6.234 -2.329 9.184
22 2HB ASP 3 1HB ASP 3 6.523 -1.269 7.804
23 H GLU 4 H GLU 4 5.695 -4.962 8.351
24 HA GLU 4 HA GLU 4 7.860 -5.384 6.470
25 1HB GLU 4 2HB GLU 4 7.640 -6.416 8.800
26 2HB GLU 4 1HB GLU 4 6.452 -7.513 8.096
27 1HG GLU 4 2HG GLU 4 8.152 -8.210 6.407
28 2HG GLU 4 1HG GLU 4 9.339 -7.192 7.225
29 H ASP 5 H ASP 5 4.650 -6.915 6.865
30 HA ASP 5 HA ASP 5 4.826 -8.376 4.379
31 1HB ASP 5 2HB ASP 5 3.276 -8.821 6.404
32 2HB ASP 5 1HB ASP 5 2.244 -7.567 5.717
33 H PHE 6 H PHE 6 3.295 -5.307 5.328
34 HA PHE 6 HA PHE 6 1.984 -4.672 2.925
35 1HB PHE 6 2HB PHE 6 1.777 -3.290 4.936
36 2HB PHE 6 1HB PHE 6 3.472 -2.819 4.810
37 HD1 PHE 6 1HD PHE 6 0.093 -2.293 3.537
38 HD2 PHE 6 2HD PHE 6 4.250 -1.414 2.904
39 HE1 PHE 6 1HE PHE 6 -0.531 -0.445 2.006
40 HE2 PHE 6 2HE PHE 6 3.625 0.434 1.372
41 HZ PHE 6 HZ PHE 6 1.235 0.919 0.923
42 H ARG 7 H ARG 7 5.287 -3.618 3.841
43 HA ARG 7 HA ARG 7 6.016 -2.435 1.416
44 1HB ARG 7 2HB ARG 7 7.390 -2.472 3.520
45 2HB ARG 7 1HB ARG 7 7.850 -4.132 3.138
46 1HG ARG 7 2HG ARG 7 8.797 -3.367 0.985
47 2HG ARG 7 1HG ARG 7 8.354 -1.707 1.385
48 1HD ARG 7 2HD ARG 7 9.739 -2.559 3.634
49 2HD ARG 7 1HD ARG 7 10.632 -3.295 2.306
50 HE ARG 7 HE ARG 7 10.824 -0.578 2.985
51 1HH1 ARG 7 1HH2 ARG 7 9.977 -2.513 0.260
52 2HH1 ARG 7 2HH2 ARG 7 10.532 -1.355 -0.901
53 1HH2 ARG 7 1HH1 ARG 7 11.552 0.943 1.487
54 2HH2 ARG 7 2HH1 ARG 7 11.424 0.602 -0.206
55 H ALA 8 H ALA 8 6.017 -5.877 2.258
56 HA ALA 8 HA ALA 8 7.334 -6.769 -0.142
57 1HB ALA 8 1HB ALA 8 5.341 -8.315 1.533
58 2HB ALA 8 2HB ALA 8 7.035 -8.116 1.978
59 3HB ALA 8 3HB ALA 8 6.606 -8.978 0.500
60 H VAL 9 H VAL 9 3.993 -5.972 0.619
61 HA VAL 9 HA VAL 9 2.849 -7.299 -1.677
62 HB VAL 9 HB VAL 9 1.806 -5.044 0.053
63 1HG1 VAL 9 1HG1 VAL 9 -0.420 -5.801 -0.946
64 2HG1 VAL 9 2HG1 VAL 9 0.526 -6.652 -2.168
65 3HG1 VAL 9 3HG1 VAL 9 0.639 -4.897 -2.029
66 1HG2 VAL 9 1HG2 VAL 9 2.234 -7.370 1.045
67 2HG2 VAL 9 2HG2 VAL 9 0.968 -7.951 -0.036
68 3HG2 VAL 9 3HG2 VAL 9 0.591 -6.752 1.201
69 1HN PF5 10 H PF5 10 3.614 -3.832 -1.085
70 HA PF5 10 HA PF5 10 3.248 -3.401 -4.009
71 1HB PF5 10 1HB PF5 10 2.988 -1.060 -3.486
72 2HB PF5 10 2HB PF5 10 3.553 -1.320 -1.830
73 H GLY 11 H GLY 11 5.716 -3.850 -1.736
74 1HA GLY 11 2HA GLY 11 8.046 -3.870 -2.139
75 2HA GLY 11 1HA GLY 11 7.732 -3.237 -3.755
76 H MET 12 H MET 12 6.378 -1.621 -0.978
77 HA MET 12 HA MET 12 8.583 0.296 -0.761
78 1HB MET 12 2HB MET 12 7.385 2.227 -1.567
79 2HB MET 12 1HB MET 12 7.306 0.999 -2.831
80 1HG MET 12 2HG MET 12 5.091 0.345 -1.417
81 2HG MET 12 1HG MET 12 5.145 2.082 -1.110
82 1HE MET 12 1HE MET 12 4.978 3.750 -4.495
83 2HE MET 12 2HE MET 12 6.438 3.355 -3.592
84 3HE MET 12 3HE MET 12 4.997 3.891 -2.731
85 H THR 13 H THR 13 8.256 1.760 1.037
86 HA THR 13 HA THR 13 6.705 0.609 3.184
87 HB THR 13 HB THR 13 7.345 2.844 4.323
88 HG1 THR 13 1HG THR 13 7.680 3.871 2.245
89 1HG2 THR 13 1HG2 THR 13 8.575 0.759 4.690
90 2HG2 THR 13 2HG2 THR 13 9.704 2.107 4.556
91 3HG2 THR 13 3HG2 THR 13 9.477 1.008 3.195
92 H ARG 14 H ARG 14 4.903 1.638 4.296
93 HA ARG 14 HA ARG 14 2.805 2.517 2.631
94 1HB ARG 14 2HB ARG 14 3.240 3.090 5.578
95 2HB ARG 14 1HB ARG 14 1.714 3.308 4.722
96 1HG ARG 14 2HG ARG 14 1.910 0.845 4.045
97 2HG ARG 14 1HG ARG 14 3.196 0.724 5.246
98 1HD ARG 14 2HD ARG 14 1.161 0.085 6.367
99 2HD ARG 14 1HD ARG 14 1.567 1.698 6.936
100 HE ARG 14 HE ARG 14 -0.099 2.118 4.738
101 1HH1 ARG 14 1HH2 ARG 14 -0.236 0.333 7.694
102 2HH1 ARG 14 2HH2 ARG 14 -1.947 0.528 7.882
103 1HH2 ARG 14 1HH1 ARG 14 -2.332 2.370 4.971
104 2HH2 ARG 14 2HH1 ARG 14 -3.130 1.681 6.345
105 H SER 15 H SER 15 5.415 4.343 4.114
106 HA SER 15 HA SER 15 4.269 6.953 3.909
107 1HB SER 15 2HB SER 15 7.191 6.205 3.573
108 2HB SER 15 1HB SER 15 6.555 7.788 4.015
109 HG SER 15 HG SER 15 5.795 5.573 5.540
110 H ALA 16 H ALA 16 6.212 5.052 1.603
111 HA ALA 16 HA ALA 16 6.086 7.095 -0.460
112 1HB ALA 16 1HB ALA 16 7.921 5.602 -0.637
113 2HB ALA 16 2HB ALA 16 6.826 5.104 -1.927
114 3HB ALA 16 3HB ALA 16 6.893 4.185 -0.422
115 H PHE 17 H PHE 17 4.360 4.040 0.176
116 HA PHE 17 HA PHE 17 2.738 4.014 -2.148
117 1HB PHE 17 2HB PHE 17 2.932 2.197 -0.368
118 2HB PHE 17 1HB PHE 17 1.809 3.151 0.601
119 HD1 PHE 17 1HD PHE 17 2.185 1.720 -2.846
120 HD2 PHE 17 2HD PHE 17 -0.494 2.848 0.317
121 HE1 PHE 17 1HE PHE 17 0.280 0.777 -4.123
122 HE2 PHE 17 2HE PHE 17 -2.399 1.904 -0.960
123 HZ PHE 17 HZ PHE 17 -2.012 0.870 -3.181
124 H ALA 18 H ALA 18 2.438 5.834 0.857
125 HA ALA 18 HA ALA 18 -0.243 6.758 0.480
126 1HB ALA 18 1HB ALA 18 1.986 8.335 1.785
127 2HB ALA 18 2HB ALA 18 1.196 6.974 2.581
128 3HB ALA 18 3HB ALA 18 0.262 8.406 2.144
129 H ASN 19 H ASN 19 2.382 7.199 -1.485
130 HA ASN 19 HA ASN 19 2.084 9.998 -2.176
131 1HB ASN 19 2HB ASN 19 3.568 9.490 -4.030
132 2HB ASN 19 1HB ASN 19 4.150 8.638 -2.600
133 1HD2 ASN 19 1HD2 ASN 19 4.336 7.962 -5.603
134 2HD2 ASN 19 2HD2 ASN 19 3.749 6.371 -5.700
135 H LEU 20 H LEU 20 0.476 7.054 -3.152
136 HA LEU 20 HA LEU 20 -0.646 8.140 -5.613
137 1HB LEU 20 2HB LEU 20 -1.834 5.858 -4.041
138 2HB LEU 20 1HB LEU 20 -1.808 6.095 -5.788
139 HG LEU 20 HG LEU 20 0.592 5.491 -4.033
140 1HD1 LEU 20 1HD1 LEU 20 -1.095 3.881 -5.945
141 2HD1 LEU 20 2HD1 LEU 20 -0.587 3.466 -4.307
142 3HD1 LEU 20 3HD1 LEU 20 0.583 3.438 -5.626
143 1HD2 LEU 20 1HD2 LEU 20 1.679 5.230 -6.351
144 2HD2 LEU 20 2HD2 LEU 20 1.366 6.879 -5.809
145 3HD2 LEU 20 3HD2 LEU 20 0.289 6.115 -6.978
146 HA PRO 21 HA PRO 21 -4.087 10.564 -4.267
147 1HB PRO 21 2HB PRO 21 -5.723 8.589 -5.846
148 2HB PRO 21 1HB PRO 21 -5.821 10.363 -5.824
149 1HG PRO 21 2HG PRO 21 -4.600 9.160 -7.814
150 2HG PRO 21 1HG PRO 21 -3.887 10.613 -7.086
151 1HD PRO 21 2HD PRO 21 -3.038 7.754 -6.791
152 2HD PRO 21 1HD PRO 21 -2.045 9.228 -6.806
153 H LEU 22 H LEU 22 -5.362 10.532 -2.456
154 HA LEU 22 HA LEU 22 -5.367 8.408 -0.637
155 1HB LEU 22 2HB LEU 22 -5.965 10.764 -0.103
156 2HB LEU 22 1HB LEU 22 -7.516 10.529 -0.908
157 HG LEU 22 HG LEU 22 -7.987 8.639 0.671
158 1HD1 LEU 22 1HD1 LEU 22 -5.948 7.865 1.480
159 2HD1 LEU 22 2HD1 LEU 22 -6.463 8.886 2.823
160 3HD1 LEU 22 3HD1 LEU 22 -5.285 9.490 1.657
161 1HD2 LEU 22 1HD2 LEU 22 -8.867 10.893 1.113
162 2HD2 LEU 22 2HD2 LEU 22 -7.366 11.333 1.928
163 3HD2 LEU 22 3HD2 LEU 22 -8.423 10.108 2.629
164 H TRP 23 H TRP 23 -7.926 9.212 -3.003
165 HA TRP 23 HA TRP 23 -9.644 7.044 -2.168
166 1HB TRP 23 2HB TRP 23 -10.968 7.586 -4.114
167 2HB TRP 23 1HB TRP 23 -10.397 9.100 -3.411
168 HD1 TRP 23 HD TRP 23 -8.789 10.576 -4.815
169 HE1 TRP 23 1HE TRP 23 -7.871 10.428 -7.219
170 HE3 TRP 23 3HE TRP 23 -10.193 5.812 -6.002
171 HZ2 TRP 23 2HZ TRP 23 -7.748 8.538 -9.363
172 HZ3 TRP 23 3HZ TRP 23 -9.664 4.863 -8.229
173 HH2 TRP 23 HH TRP 23 -8.444 6.218 -9.910
174 H ARG 24 H ARG 24 -7.200 7.375 -4.729
175 HA ARG 24 HA ARG 24 -7.751 4.912 -6.055
176 1HB ARG 24 2HB ARG 24 -6.291 6.702 -6.976
177 2HB ARG 24 1HB ARG 24 -5.073 6.299 -5.765
178 1HG ARG 24 2HG ARG 24 -4.873 4.038 -6.652
179 2HG ARG 24 1HG ARG 24 -6.179 4.341 -7.798
180 1HD ARG 24 2HD ARG 24 -4.599 5.019 -9.255
181 2HD ARG 24 1HD ARG 24 -4.383 6.439 -8.228
182 HE ARG 24 HE ARG 24 -2.795 4.547 -7.009
183 1HH1 ARG 24 1HH2 ARG 24 -3.193 5.715 -10.226
184 2HH1 ARG 24 2HH2 ARG 24 -1.531 5.493 -10.657
185 1HH2 ARG 24 1HH1 ARG 24 -0.619 4.251 -7.550
186 2HH2 ARG 24 2HH1 ARG 24 -0.072 4.665 -9.141
187 H GLN 25 H GLN 25 -5.531 5.630 -3.345
188 HA GLN 25 HA GLN 25 -4.255 3.153 -3.134
189 1HB GLN 25 2HB GLN 25 -5.232 4.967 -0.916
190 2HB GLN 25 1HB GLN 25 -4.139 3.604 -0.667
191 1HG GLN 25 2HG GLN 25 -2.524 4.604 -2.251
192 2HG GLN 25 1HG GLN 25 -3.611 5.973 -2.494
193 1HE2 GLN 25 1HE2 GLN 25 -1.960 4.228 0.197
194 2HE2 GLN 25 2HE2 GLN 25 -1.685 5.622 1.128
195 H GLN 26 H GLN 26 -7.504 4.022 -1.924
196 HA GLN 26 HA GLN 26 -8.020 1.489 -0.671
197 1HB GLN 26 2HB GLN 26 -9.946 3.465 -1.932
198 2HB GLN 26 1HB GLN 26 -10.424 2.104 -0.917
199 1HG GLN 26 2HG GLN 26 -9.125 3.019 0.956
200 2HG GLN 26 1HG GLN 26 -8.593 4.363 -0.055
201 1HE2 GLN 26 1HE2 GLN 26 -10.164 4.663 2.400
202 2HE2 GLN 26 2HE2 GLN 26 -11.652 5.350 1.957
203 H ASN 27 H ASN 27 -8.415 2.692 -3.966
204 HA ASN 27 HA ASN 27 -9.820 0.450 -5.044
205 1HB ASN 27 2HB ASN 27 -9.447 2.687 -6.173
206 2HB ASN 27 1HB ASN 27 -7.790 2.175 -6.494
207 1HD2 ASN 27 1HD2 ASN 27 -11.187 1.081 -7.025
208 2HD2 ASN 27 2HD2 ASN 27 -10.858 0.301 -8.498
209 H LEU 28 H LEU 28 -6.313 1.188 -5.052
210 HA LEU 28 HA LEU 28 -5.568 -1.378 -6.142
211 1HB LEU 28 2HB LEU 28 -3.869 0.505 -4.484
212 2HB LEU 28 1HB LEU 28 -3.292 -0.736 -5.595
213 HG LEU 28 HG LEU 28 -4.852 1.759 -6.322
214 1HD1 LEU 28 1HD1 LEU 28 -2.835 2.453 -7.420
215 2HD1 LEU 28 2HD1 LEU 28 -2.095 0.867 -7.199
216 3HD1 LEU 28 3HD1 LEU 28 -2.360 1.917 -5.808
217 1HD2 LEU 28 1HD2 LEU 28 -5.643 0.159 -7.853
218 2HD2 LEU 28 2HD2 LEU 28 -4.114 -0.719 -7.869
219 3HD2 LEU 28 3HD2 LEU 28 -4.247 0.832 -8.697
220 H ARG 29 H ARG 29 -6.053 -0.175 -2.859
221 HA ARG 29 HA ARG 29 -4.806 -2.513 -1.637
222 1HB ARG 29 2HB ARG 29 -6.438 -0.215 -0.554
223 2HB ARG 29 1HB ARG 29 -5.898 -1.547 0.468
224 1HG ARG 29 2HG ARG 29 -3.556 -1.110 -0.212
225 2HG ARG 29 1HG ARG 29 -4.104 0.246 -1.197
226 1HD ARG 29 2HD ARG 29 -4.469 -0.004 1.804
227 2HD ARG 29 1HD ARG 29 -3.285 1.024 0.998
228 HE ARG 29 HE ARG 29 -5.703 1.807 -0.104
229 1HH1 ARG 29 1HH2 ARG 29 -4.409 1.427 3.071
230 2HH1 ARG 29 2HH2 ARG 29 -5.372 2.694 3.756
231 1HH2 ARG 29 1HH1 ARG 29 -6.962 3.459 0.771
232 2HH2 ARG 29 2HH1 ARG 29 -6.818 3.844 2.454
233 H ARG 30 H ARG 30 -8.184 -1.448 -2.178
234 HA ARG 30 HA ARG 30 -9.351 -3.705 -0.836
235 1HB ARG 30 2HB ARG 30 -10.392 -1.839 -2.977
236 2HB ARG 30 1HB ARG 30 -11.375 -3.139 -2.302
237 1HG ARG 30 2HG ARG 30 -11.018 -2.213 -0.029
238 2HG ARG 30 1HG ARG 30 -10.076 -0.895 -0.728
239 1HD ARG 30 2HD ARG 30 -12.991 -1.499 -1.309
240 2HD ARG 30 1HD ARG 30 -12.385 -0.163 -0.332
241 HE ARG 30 HE ARG 30 -11.108 0.166 -2.769
242 1HH1 ARG 30 1HH2 ARG 30 -14.357 -0.229 -1.684
243 2HH1 ARG 30 2HH2 ARG 30 -15.038 0.726 -2.959
244 1HH2 ARG 30 1HH1 ARG 30 -11.977 1.413 -4.436
245 2HH2 ARG 30 2HH1 ARG 30 -13.689 1.656 -4.517
246 H GLU 31 H GLU 31 -8.448 -3.125 -4.230
247 HA GLU 31 HA GLU 31 -9.413 -5.624 -5.254
248 1HB GLU 31 2HB GLU 31 -7.189 -3.774 -6.162
249 2HB GLU 31 1HB GLU 31 -7.670 -5.208 -7.067
250 1HG GLU 31 2HG GLU 31 -9.970 -4.332 -7.238
251 2HG GLU 31 1HG GLU 31 -9.490 -2.897 -6.330
252 H ARG 32 H ARG 32 -6.786 -4.843 -3.201
253 HA ARG 32 HA ARG 32 -5.303 -7.316 -3.893
254 1HB ARG 32 2HB ARG 32 -4.306 -4.920 -3.363
255 2HB ARG 32 1HB ARG 32 -4.459 -5.471 -1.694
256 1HG ARG 32 2HG ARG 32 -2.366 -6.316 -2.148
257 2HG ARG 32 1HG ARG 32 -3.334 -7.669 -2.732
258 1HD ARG 32 2HD ARG 32 -2.527 -5.379 -4.532
259 2HD ARG 32 1HD ARG 32 -1.516 -6.810 -4.322
260 HE ARG 32 HE ARG 32 -3.994 -7.858 -4.958
261 1HH1 ARG 32 1HH2 ARG 32 -1.891 -5.475 -6.294
262 2HH1 ARG 32 2HH2 ARG 32 -2.379 -5.770 -7.930
263 1HH2 ARG 32 1HH1 ARG 32 -4.643 -8.257 -7.086
264 2HH2 ARG 32 2HH1 ARG 32 -3.937 -7.346 -8.378
265 H GLY 33 H GLY 33 -7.779 -6.408 -1.791
266 1HA GLY 33 2HA GLY 33 -8.820 -7.929 -0.247
267 2HA GLY 33 1HA GLY 33 -7.324 -8.859 -0.195
268 H LEU 34 H LEU 34 -6.325 -5.754 0.085
269 HA LEU 34 HA LEU 34 -6.344 -5.941 3.066
270 1HB LEU 34 2HB LEU 34 -4.526 -4.229 1.354
271 2HB LEU 34 1HB LEU 34 -4.325 -4.645 3.056
272 HG LEU 34 HG LEU 34 -4.223 -6.587 0.731
273 1HD1 LEU 34 1HD1 LEU 34 -2.248 -5.021 1.086
274 2HD1 LEU 34 2HD1 LEU 34 -1.872 -6.741 1.182
275 3HD1 LEU 34 3HD1 LEU 34 -2.029 -5.789 2.658
276 1HD2 LEU 34 1HD2 LEU 34 -3.356 -8.089 2.674
277 2HD2 LEU 34 2HD2 LEU 34 -5.094 -7.823 2.541
278 3HD2 LEU 34 3HD2 LEU 34 -4.152 -6.920 3.727
279 H PHE 35 H PHE 35 -7.255 -4.294 4.257
280 HA PHE 35 HA PHE 35 -7.666 -1.624 3.259
281 1HB PHE 35 2HB PHE 35 -10.064 -1.651 2.932
282 2HB PHE 35 1HB PHE 35 -9.365 -2.903 1.905
283 HD1 PHE 35 1HD PHE 35 -11.476 -2.207 4.806
284 HD2 PHE 35 2HD PHE 35 -9.505 -5.296 2.565
285 HE1 PHE 35 1HE PHE 35 -12.873 -3.917 5.935
286 HE2 PHE 35 2HE PHE 35 -10.901 -7.006 3.694
287 HZ PHE 35 HZ PHE 35 -12.585 -6.317 5.379
Start of MODEL 13
1 1H LEU 1 1HT LEU 1 1.843 0.045 10.934
2 2H LEU 1 2HT LEU 1 2.791 -1.235 11.523
3 3H LEU 1 3HT LEU 1 1.359 -0.798 12.324
4 HA LEU 1 HA LEU 1 0.279 -2.307 11.139
5 1HB LEU 1 2HB LEU 1 1.137 -0.384 8.975
6 2HB LEU 1 1HB LEU 1 0.150 -1.797 8.602
7 HG LEU 1 HG LEU 1 -1.509 -1.055 10.301
8 1HD1 LEU 1 1HD1 LEU 1 -0.244 0.224 11.837
9 2HD1 LEU 1 2HD1 LEU 1 -1.223 1.423 10.991
10 3HD1 LEU 1 3HD1 LEU 1 0.473 1.206 10.560
11 1HD2 LEU 1 1HD2 LEU 1 -2.484 0.663 8.946
12 2HD2 LEU 1 2HD2 LEU 1 -1.574 -0.366 7.840
13 3HD2 LEU 1 3HD2 LEU 1 -0.906 1.184 8.353
14 H SER 2 H SER 2 0.536 -3.838 9.045
15 HA SER 2 HA SER 2 2.892 -5.405 9.513
16 1HB SER 2 2HB SER 2 1.314 -5.609 6.965
17 2HB SER 2 1HB SER 2 2.032 -6.895 7.930
18 HG SER 2 HG SER 2 -0.345 -5.458 8.307
19 H ASP 3 H ASP 3 4.319 -3.345 9.190
20 HA ASP 3 HA ASP 3 4.813 -2.302 6.586
21 1HB ASP 3 2HB ASP 3 6.964 -1.556 7.481
22 2HB ASP 3 1HB ASP 3 5.709 -1.310 8.696
23 H GLU 4 H GLU 4 5.918 -5.229 8.200
24 HA GLU 4 HA GLU 4 7.935 -5.911 6.243
25 1HB GLU 4 2HB GLU 4 7.693 -6.882 8.597
26 2HB GLU 4 1HB GLU 4 6.373 -7.859 7.955
27 1HG GLU 4 2HG GLU 4 7.925 -8.758 6.222
28 2HG GLU 4 1HG GLU 4 9.242 -7.853 6.973
29 H ASP 5 H ASP 5 4.591 -7.070 6.768
30 HA ASP 5 HA ASP 5 4.544 -8.566 4.285
31 1HB ASP 5 2HB ASP 5 3.068 -8.900 6.384
32 2HB ASP 5 1HB ASP 5 2.102 -7.566 5.751
33 H PHE 6 H PHE 6 3.262 -5.407 5.315
34 HA PHE 6 HA PHE 6 1.937 -4.692 2.925
35 1HB PHE 6 2HB PHE 6 1.771 -3.358 4.979
36 2HB PHE 6 1HB PHE 6 3.474 -2.918 4.847
37 HD1 PHE 6 1HD PHE 6 0.098 -2.387 3.505
38 HD2 PHE 6 2HD PHE 6 4.257 -1.401 3.076
39 HE1 PHE 6 1HE PHE 6 -0.504 -0.494 2.019
40 HE2 PHE 6 2HE PHE 6 3.655 0.491 1.590
41 HZ PHE 6 HZ PHE 6 1.274 0.945 1.062
42 H ARG 7 H ARG 7 5.262 -3.746 3.877
43 HA ARG 7 HA ARG 7 6.035 -2.530 1.485
44 1HB ARG 7 2HB ARG 7 7.424 -2.597 3.543
45 2HB ARG 7 1HB ARG 7 7.771 -4.298 3.237
46 1HG ARG 7 2HG ARG 7 8.841 -3.732 1.112
47 2HG ARG 7 1HG ARG 7 8.424 -2.032 1.331
48 1HD ARG 7 2HD ARG 7 10.704 -2.263 2.035
49 2HD ARG 7 1HD ARG 7 9.743 -2.108 3.502
50 HE ARG 7 HE ARG 7 9.895 -4.850 3.074
51 1HH1 ARG 7 1HH2 ARG 7 12.109 -2.220 3.344
52 2HH1 ARG 7 2HH2 ARG 7 13.380 -3.187 4.014
53 1HH2 ARG 7 1HH1 ARG 7 11.540 -6.125 3.946
54 2HH2 ARG 7 2HH1 ARG 7 13.058 -5.398 4.355
55 H ALA 8 H ALA 8 5.871 -5.982 2.226
56 HA ALA 8 HA ALA 8 7.205 -6.857 -0.180
57 1HB ALA 8 1HB ALA 8 6.048 -9.052 0.361
58 2HB ALA 8 2HB ALA 8 5.300 -8.234 1.732
59 3HB ALA 8 3HB ALA 8 7.054 -8.400 1.653
60 H VAL 9 H VAL 9 3.874 -6.001 0.583
61 HA VAL 9 HA VAL 9 2.763 -7.207 -1.811
62 HB VAL 9 HB VAL 9 1.658 -5.131 0.095
63 1HG1 VAL 9 1HG1 VAL 9 0.492 -4.813 -1.961
64 2HG1 VAL 9 2HG1 VAL 9 -0.544 -5.865 -0.995
65 3HG1 VAL 9 3HG1 VAL 9 0.447 -6.546 -2.287
66 1HG2 VAL 9 1HG2 VAL 9 0.457 -6.959 1.067
67 2HG2 VAL 9 2HG2 VAL 9 2.121 -7.520 0.892
68 3HG2 VAL 9 3HG2 VAL 9 0.889 -8.038 -0.260
69 1HN PF5 10 H PF5 10 3.407 -3.776 -0.922
70 HA PF5 10 HA PF5 10 3.070 -3.119 -3.807
71 1HB PF5 10 1HB PF5 10 2.698 -0.849 -3.105
72 2HB PF5 10 2HB PF5 10 3.279 -1.204 -1.471
73 H GLY 11 H GLY 11 5.548 -4.169 -2.122
74 1HA GLY 11 2HA GLY 11 7.870 -3.800 -2.159
75 2HA GLY 11 1HA GLY 11 7.572 -3.206 -3.793
76 H MET 12 H MET 12 5.927 -1.520 -1.289
77 HA MET 12 HA MET 12 8.075 0.530 -1.127
78 1HB MET 12 2HB MET 12 5.815 0.787 -2.803
79 2HB MET 12 1HB MET 12 5.505 1.820 -1.407
80 1HG MET 12 2HG MET 12 6.708 3.180 -2.956
81 2HG MET 12 1HG MET 12 7.877 2.719 -1.718
82 1HE MET 12 1HE MET 12 6.275 1.246 -5.030
83 2HE MET 12 2HE MET 12 7.650 1.513 -6.098
84 3HE MET 12 3HE MET 12 6.913 2.879 -5.264
85 H THR 13 H THR 13 7.659 2.087 0.651
86 HA THR 13 HA THR 13 6.433 0.723 2.945
87 HB THR 13 HB THR 13 7.233 2.837 4.152
88 HG1 THR 13 1HG THR 13 7.265 3.987 2.054
89 1HG2 THR 13 1HG2 THR 13 9.295 1.269 2.579
90 2HG2 THR 13 2HG2 THR 13 8.517 0.706 4.059
91 3HG2 THR 13 3HG2 THR 13 9.568 2.123 4.098
92 H ARG 14 H ARG 14 4.750 1.707 4.255
93 HA ARG 14 HA ARG 14 2.522 2.690 2.843
94 1HB ARG 14 2HB ARG 14 3.297 2.989 5.753
95 2HB ARG 14 1HB ARG 14 1.739 3.520 5.120
96 1HG ARG 14 2HG ARG 14 2.645 0.740 4.479
97 2HG ARG 14 1HG ARG 14 2.052 1.066 6.108
98 1HD ARG 14 2HD ARG 14 0.541 1.694 3.550
99 2HD ARG 14 1HD ARG 14 0.215 0.331 4.612
100 HE ARG 14 HE ARG 14 0.083 2.552 6.283
101 1HH1 ARG 14 1HH2 ARG 14 -1.360 1.587 3.294
102 2HH1 ARG 14 2HH2 ARG 14 -2.854 2.410 3.602
103 1HH2 ARG 14 1HH1 ARG 14 -1.858 3.634 6.688
104 2HH2 ARG 14 2HH1 ARG 14 -3.135 3.564 5.520
105 H SER 15 H SER 15 5.288 4.422 4.146
106 HA SER 15 HA SER 15 4.126 7.055 4.054
107 1HB SER 15 2HB SER 15 6.275 6.447 5.239
108 2HB SER 15 1HB SER 15 7.044 6.336 3.658
109 HG SER 15 HG SER 15 5.559 8.626 4.219
110 H ALA 16 H ALA 16 6.094 5.208 1.723
111 HA ALA 16 HA ALA 16 5.907 7.283 -0.312
112 1HB ALA 16 1HB ALA 16 7.793 5.673 -0.242
113 2HB ALA 16 2HB ALA 16 6.942 5.606 -1.786
114 3HB ALA 16 3HB ALA 16 6.667 4.357 -0.571
115 H PHE 17 H PHE 17 4.317 4.145 0.272
116 HA PHE 17 HA PHE 17 2.717 4.073 -2.066
117 1HB PHE 17 2HB PHE 17 2.961 2.226 -0.354
118 2HB PHE 17 1HB PHE 17 1.857 3.130 0.684
119 HD1 PHE 17 1HD PHE 17 2.093 1.965 -2.881
120 HD2 PHE 17 2HD PHE 17 -0.412 2.625 0.546
121 HE1 PHE 17 1HE PHE 17 0.159 1.018 -4.111
122 HE2 PHE 17 2HE PHE 17 -2.346 1.678 -0.685
123 HZ PHE 17 HZ PHE 17 -2.060 0.874 -3.014
124 H ALA 18 H ALA 18 2.279 5.807 0.982
125 HA ALA 18 HA ALA 18 -0.427 6.633 0.565
126 1HB ALA 18 1HB ALA 18 0.247 8.566 2.091
127 2HB ALA 18 2HB ALA 18 1.872 7.880 2.090
128 3HB ALA 18 3HB ALA 18 0.522 6.950 2.742
129 H ASN 19 H ASN 19 2.452 7.462 -1.065
130 HA ASN 19 HA ASN 19 1.944 10.171 -1.788
131 1HB ASN 19 2HB ASN 19 3.354 7.991 -3.357
132 2HB ASN 19 1HB ASN 19 3.454 9.718 -3.702
133 1HD2 ASN 19 1HD2 ASN 19 5.833 8.376 -3.081
134 2HD2 ASN 19 2HD2 ASN 19 6.368 8.840 -1.539
135 H LEU 20 H LEU 20 0.724 7.131 -3.118
136 HA LEU 20 HA LEU 20 -0.387 8.210 -5.535
137 1HB LEU 20 2HB LEU 20 -1.336 5.841 -3.894
138 2HB LEU 20 1HB LEU 20 -1.743 6.159 -5.580
139 HG LEU 20 HG LEU 20 1.076 5.749 -4.540
140 1HD1 LEU 20 1HD1 LEU 20 0.053 3.630 -4.377
141 2HD1 LEU 20 2HD1 LEU 20 0.792 3.607 -5.979
142 3HD1 LEU 20 3HD1 LEU 20 -0.939 3.900 -5.808
143 1HD2 LEU 20 1HD2 LEU 20 1.325 5.358 -7.136
144 2HD2 LEU 20 2HD2 LEU 20 1.309 7.002 -6.499
145 3HD2 LEU 20 3HD2 LEU 20 -0.149 6.324 -7.224
146 HA PRO 21 HA PRO 21 -3.923 10.601 -4.424
147 1HB PRO 21 2HB PRO 21 -5.436 8.574 -6.062
148 2HB PRO 21 1HB PRO 21 -5.574 10.347 -6.065
149 1HG PRO 21 2HG PRO 21 -4.219 9.149 -7.971
150 2HG PRO 21 1HG PRO 21 -3.582 10.627 -7.225
151 1HD PRO 21 2HD PRO 21 -2.676 7.797 -6.857
152 2HD PRO 21 1HD PRO 21 -1.727 9.299 -6.816
153 H LEU 22 H LEU 22 -5.232 10.574 -2.646
154 HA LEU 22 HA LEU 22 -5.337 8.467 -0.820
155 1HB LEU 22 2HB LEU 22 -5.964 10.821 -0.329
156 2HB LEU 22 1HB LEU 22 -7.469 10.586 -1.216
157 HG LEU 22 HG LEU 22 -8.040 8.715 0.344
158 1HD1 LEU 22 1HD1 LEU 22 -6.061 7.908 1.255
159 2HD1 LEU 22 2HD1 LEU 22 -6.615 8.947 2.567
160 3HD1 LEU 22 3HD1 LEU 22 -5.375 9.521 1.454
161 1HD2 LEU 22 1HD2 LEU 22 -7.496 11.473 1.470
162 2HD2 LEU 22 2HD2 LEU 22 -8.391 10.242 2.361
163 3HD2 LEU 22 3HD2 LEU 22 -9.017 10.850 0.829
164 H TRP 23 H TRP 23 -7.785 9.248 -3.309
165 HA TRP 23 HA TRP 23 -9.550 7.100 -2.547
166 1HB TRP 23 2HB TRP 23 -10.739 7.593 -4.592
167 2HB TRP 23 1HB TRP 23 -10.212 9.123 -3.889
168 HD1 TRP 23 HD TRP 23 -8.479 10.549 -5.201
169 HE1 TRP 23 1HE TRP 23 -7.414 10.347 -7.540
170 HE3 TRP 23 3HE TRP 23 -9.888 5.791 -6.403
171 HZ2 TRP 23 2HZ TRP 23 -7.190 8.421 -9.644
172 HZ3 TRP 23 3HZ TRP 23 -9.237 4.798 -8.577
173 HH2 TRP 23 HH TRP 23 -7.891 6.106 -10.198
174 H ARG 24 H ARG 24 -6.985 7.365 -5.005
175 HA ARG 24 HA ARG 24 -7.447 4.852 -6.263
176 1HB ARG 24 2HB ARG 24 -5.947 6.618 -7.166
177 2HB ARG 24 1HB ARG 24 -4.793 6.262 -5.880
178 1HG ARG 24 2HG ARG 24 -4.567 3.959 -6.677
179 2HG ARG 24 1HG ARG 24 -5.779 4.252 -7.925
180 1HD ARG 24 2HD ARG 24 -4.132 4.948 -9.287
181 2HD ARG 24 1HD ARG 24 -3.868 6.313 -8.198
182 HE ARG 24 HE ARG 24 -2.465 4.285 -6.981
183 1HH1 ARG 24 1HH2 ARG 24 -2.648 5.556 -10.179
184 2HH1 ARG 24 2HH2 ARG 24 -0.988 5.228 -10.550
185 1HH2 ARG 24 1HH1 ARG 24 -0.294 3.848 -7.444
186 2HH2 ARG 24 2HH1 ARG 24 0.345 4.261 -9.001
187 H GLN 25 H GLN 25 -5.368 5.674 -3.470
188 HA GLN 25 HA GLN 25 -4.103 3.205 -3.116
189 1HB GLN 25 2HB GLN 25 -5.181 5.068 -0.984
190 2HB GLN 25 1HB GLN 25 -4.044 3.751 -0.683
191 1HG GLN 25 2HG GLN 25 -2.393 4.767 -2.156
192 2HG GLN 25 1HG GLN 25 -3.536 6.027 -2.627
193 1HE2 GLN 25 1HE2 GLN 25 -2.072 7.690 -1.750
194 2HE2 GLN 25 2HE2 GLN 25 -1.937 7.926 -0.074
195 H GLN 26 H GLN 26 -7.394 4.125 -2.065
196 HA GLN 26 HA GLN 26 -7.946 1.607 -0.771
197 1HB GLN 26 2HB GLN 26 -9.832 3.614 -2.045
198 2HB GLN 26 1HB GLN 26 -10.340 2.259 -1.036
199 1HG GLN 26 2HG GLN 26 -9.051 3.148 0.850
200 2HG GLN 26 1HG GLN 26 -8.472 4.478 -0.152
201 1HE2 GLN 26 1HE2 GLN 26 -9.983 4.969 2.236
202 2HE2 GLN 26 2HE2 GLN 26 -11.484 5.629 1.792
203 H ASN 27 H ASN 27 -8.262 2.799 -4.074
204 HA ASN 27 HA ASN 27 -9.745 0.615 -5.163
205 1HB ASN 27 2HB ASN 27 -9.256 2.816 -6.307
206 2HB ASN 27 1HB ASN 27 -7.610 2.243 -6.577
207 1HD2 ASN 27 1HD2 ASN 27 -11.028 1.275 -7.201
208 2HD2 ASN 27 2HD2 ASN 27 -10.688 0.468 -8.655
209 H LEU 28 H LEU 28 -6.208 1.184 -5.110
210 HA LEU 28 HA LEU 28 -5.559 -1.404 -6.201
211 1HB LEU 28 2HB LEU 28 -3.808 0.363 -4.471
212 2HB LEU 28 1HB LEU 28 -3.272 -0.878 -5.601
213 HG LEU 28 HG LEU 28 -4.701 1.703 -6.301
214 1HD1 LEU 28 1HD1 LEU 28 -1.903 0.660 -6.847
215 2HD1 LEU 28 2HD1 LEU 28 -2.331 2.004 -5.790
216 3HD1 LEU 28 3HD1 LEU 28 -2.572 2.142 -7.531
217 1HD2 LEU 28 1HD2 LEU 28 -4.078 0.815 -8.681
218 2HD2 LEU 28 2HD2 LEU 28 -5.513 0.166 -7.887
219 3HD2 LEU 28 3HD2 LEU 28 -4.013 -0.762 -7.894
220 H ARG 29 H ARG 29 -6.052 -0.213 -2.911
221 HA ARG 29 HA ARG 29 -4.917 -2.574 -1.659
222 1HB ARG 29 2HB ARG 29 -6.614 -0.290 -0.652
223 2HB ARG 29 1HB ARG 29 -6.154 -1.641 0.387
224 1HG ARG 29 2HG ARG 29 -3.777 -1.208 -0.077
225 2HG ARG 29 1HG ARG 29 -4.219 0.122 -1.147
226 1HD ARG 29 2HD ARG 29 -4.926 -0.014 1.798
227 2HD ARG 29 1HD ARG 29 -3.569 0.896 1.137
228 HE ARG 29 HE ARG 29 -5.752 1.812 -0.306
229 1HH1 ARG 29 1HH2 ARG 29 -4.919 1.459 3.023
230 2HH1 ARG 29 2HH2 ARG 29 -5.863 2.819 3.538
231 1HH2 ARG 29 1HH1 ARG 29 -6.984 3.584 0.347
232 2HH2 ARG 29 2HH1 ARG 29 -7.031 4.022 2.021
233 H ARG 30 H ARG 30 -8.232 -1.572 -2.523
234 HA ARG 30 HA ARG 30 -9.466 -3.838 -1.212
235 1HB ARG 30 2HB ARG 30 -10.329 -1.675 -3.038
236 2HB ARG 30 1HB ARG 30 -11.254 -3.172 -3.165
237 1HG ARG 30 2HG ARG 30 -12.200 -1.602 -1.468
238 2HG ARG 30 1HG ARG 30 -11.704 -3.142 -0.766
239 1HD ARG 30 2HD ARG 30 -10.069 -2.181 0.481
240 2HD ARG 30 1HD ARG 30 -9.563 -1.124 -0.835
241 HE ARG 30 HE ARG 30 -11.983 -0.051 -0.028
242 1HH1 ARG 30 1HH2 ARG 30 -9.032 -0.970 1.502
243 2HH1 ARG 30 2HH2 ARG 30 -9.143 0.242 2.736
244 1HH2 ARG 30 1HH1 ARG 30 -12.142 1.533 1.570
245 2HH2 ARG 30 2HH1 ARG 30 -10.904 1.659 2.774
246 H GLU 31 H GLU 31 -8.217 -3.235 -4.469
247 HA GLU 31 HA GLU 31 -9.205 -5.546 -5.776
248 1HB GLU 31 2HB GLU 31 -6.636 -3.980 -6.084
249 2HB GLU 31 1HB GLU 31 -7.012 -5.358 -7.118
250 1HG GLU 31 2HG GLU 31 -8.867 -2.991 -6.752
251 2HG GLU 31 1HG GLU 31 -7.698 -3.119 -8.068
252 H ARG 32 H ARG 32 -6.780 -5.185 -3.316
253 HA ARG 32 HA ARG 32 -5.972 -8.036 -3.683
254 1HB ARG 32 2HB ARG 32 -4.573 -5.722 -2.320
255 2HB ARG 32 1HB ARG 32 -4.005 -7.390 -2.248
256 1HG ARG 32 2HG ARG 32 -3.875 -7.446 -4.718
257 2HG ARG 32 1HG ARG 32 -4.412 -5.766 -4.776
258 1HD ARG 32 2HD ARG 32 -2.426 -5.165 -3.341
259 2HD ARG 32 1HD ARG 32 -1.858 -6.823 -3.534
260 HE ARG 32 HE ARG 32 -2.265 -5.970 -6.134
261 1HH1 ARG 32 1HH2 ARG 32 -0.580 -4.794 -3.365
262 2HH1 ARG 32 2HH2 ARG 32 0.665 -4.018 -4.287
263 1HH2 ARG 32 1HH1 ARG 32 -0.650 -4.964 -7.354
264 2HH2 ARG 32 2HH1 ARG 32 0.624 -4.114 -6.546
265 H GLY 33 H GLY 33 -7.989 -6.138 -1.800
266 1HA GLY 33 2HA GLY 33 -9.084 -6.561 0.237
267 2HA GLY 33 1HA GLY 33 -8.621 -8.246 -0.001
268 H LEU 34 H LEU 34 -7.082 -5.144 0.946
269 HA LEU 34 HA LEU 34 -5.717 -6.663 3.128
270 1HB LEU 34 2HB LEU 34 -4.508 -4.713 1.163
271 2HB LEU 34 1HB LEU 34 -3.754 -5.048 2.722
272 HG LEU 34 HG LEU 34 -4.551 -7.295 0.877
273 1HD1 LEU 34 1HD1 LEU 34 -3.122 -6.033 -0.538
274 2HD1 LEU 34 2HD1 LEU 34 -2.061 -7.226 0.208
275 3HD1 LEU 34 3HD1 LEU 34 -2.075 -5.565 0.800
276 1HD2 LEU 34 1HD2 LEU 34 -2.490 -8.267 2.122
277 2HD2 LEU 34 2HD2 LEU 34 -3.986 -8.077 3.037
278 3HD2 LEU 34 3HD2 LEU 34 -2.686 -6.900 3.218
279 H PHE 35 H PHE 35 -7.769 -4.179 2.312
280 HA PHE 35 HA PHE 35 -7.575 -3.029 5.005
281 1HB PHE 35 2HB PHE 35 -6.995 -1.385 2.526
282 2HB PHE 35 1HB PHE 35 -7.362 -0.686 4.103
283 HD1 PHE 35 1HD PHE 35 -4.900 -2.591 2.132
284 HD2 PHE 35 2HD PHE 35 -5.796 -0.874 5.967
285 HE1 PHE 35 1HE PHE 35 -2.532 -2.875 2.812
286 HE2 PHE 35 2HE PHE 35 -3.428 -1.159 6.647
287 HZ PHE 35 HZ PHE 35 -1.796 -2.159 5.069
Start of MODEL 14
1 1H LEU 1 1HT LEU 1 3.283 -0.768 11.532
2 2H LEU 1 2HT LEU 1 1.790 0.014 11.747
3 3H LEU 1 3HT LEU 1 2.368 -0.305 10.181
4 HA LEU 1 HA LEU 1 1.448 -2.282 12.191
5 1HB LEU 1 2HB LEU 1 0.482 -1.785 9.366
6 2HB LEU 1 1HB LEU 1 -0.300 -2.746 10.622
7 HG LEU 1 HG LEU 1 0.128 0.255 10.693
8 1HD1 LEU 1 1HD1 LEU 1 -1.653 -0.594 9.132
9 2HD1 LEU 1 2HD1 LEU 1 -2.279 0.403 10.446
10 3HD1 LEU 1 3HD1 LEU 1 -2.436 -1.352 10.519
11 1HD2 LEU 1 1HD2 LEU 1 -1.473 -0.054 12.714
12 2HD2 LEU 1 2HD2 LEU 1 0.227 -0.465 12.942
13 3HD2 LEU 1 3HD2 LEU 1 -0.961 -1.742 12.677
14 H SER 2 H SER 2 0.952 -3.841 9.561
15 HA SER 2 HA SER 2 3.361 -5.424 9.704
16 1HB SER 2 2HB SER 2 2.302 -6.871 8.208
17 2HB SER 2 1HB SER 2 0.922 -6.079 8.960
18 HG SER 2 HG SER 2 1.009 -4.572 7.181
19 H ASP 3 H ASP 3 4.424 -3.021 9.238
20 HA ASP 3 HA ASP 3 4.655 -2.096 6.579
21 1HB ASP 3 2HB ASP 3 6.748 -2.142 8.776
22 2HB ASP 3 1HB ASP 3 6.877 -1.200 7.290
23 H GLU 4 H GLU 4 6.201 -4.812 8.206
24 HA GLU 4 HA GLU 4 8.132 -5.371 6.139
25 1HB GLU 4 2HB GLU 4 8.125 -6.290 8.524
26 2HB GLU 4 1HB GLU 4 6.864 -7.403 7.991
27 1HG GLU 4 2HG GLU 4 8.385 -8.211 6.188
28 2HG GLU 4 1HG GLU 4 9.655 -7.166 6.828
29 H ASP 5 H ASP 5 4.955 -6.835 6.897
30 HA ASP 5 HA ASP 5 4.878 -8.452 4.519
31 1HB ASP 5 2HB ASP 5 3.458 -8.700 6.650
32 2HB ASP 5 1HB ASP 5 2.452 -7.410 5.990
33 H PHE 6 H PHE 6 3.575 -5.242 5.316
34 HA PHE 6 HA PHE 6 2.132 -4.746 2.942
35 1HB PHE 6 2HB PHE 6 2.083 -3.229 4.878
36 2HB PHE 6 1HB PHE 6 3.769 -2.797 4.594
37 HD1 PHE 6 1HD PHE 6 0.310 -2.454 3.381
38 HD2 PHE 6 2HD PHE 6 4.420 -1.409 2.688
39 HE1 PHE 6 1HE PHE 6 -0.405 -0.715 1.764
40 HE2 PHE 6 2HE PHE 6 3.703 0.331 1.072
41 HZ PHE 6 HZ PHE 6 1.292 0.677 0.610
42 H ARG 7 H ARG 7 5.493 -3.694 3.619
43 HA ARG 7 HA ARG 7 6.128 -2.711 1.086
44 1HB ARG 7 2HB ARG 7 7.630 -2.580 3.056
45 2HB ARG 7 1HB ARG 7 7.968 -4.304 2.901
46 1HG ARG 7 2HG ARG 7 8.934 -3.959 0.690
47 2HG ARG 7 1HG ARG 7 8.496 -2.251 0.734
48 1HD ARG 7 2HD ARG 7 10.815 -2.379 1.342
49 2HD ARG 7 1HD ARG 7 9.921 -2.050 2.824
50 HE ARG 7 HE ARG 7 10.091 -4.823 2.730
51 1HH1 ARG 7 1HH2 ARG 7 12.277 -2.162 2.570
52 2HH1 ARG 7 2HH2 ARG 7 13.591 -3.028 3.294
53 1HH2 ARG 7 1HH1 ARG 7 11.791 -5.967 3.675
54 2HH2 ARG 7 2HH1 ARG 7 13.316 -5.183 3.920
55 H ALA 8 H ALA 8 6.016 -6.080 2.147
56 HA ALA 8 HA ALA 8 7.240 -7.182 -0.219
57 1HB ALA 8 1HB ALA 8 6.472 -9.309 0.594
58 2HB ALA 8 2HB ALA 8 5.230 -8.549 1.591
59 3HB ALA 8 3HB ALA 8 6.934 -8.360 2.007
60 H VAL 9 H VAL 9 3.973 -6.154 0.553
61 HA VAL 9 HA VAL 9 2.771 -7.584 -1.689
62 HB VAL 9 HB VAL 9 1.714 -5.407 0.128
63 1HG1 VAL 9 1HG1 VAL 9 0.468 -5.210 -1.893
64 2HG1 VAL 9 2HG1 VAL 9 -0.521 -6.221 -0.840
65 3HG1 VAL 9 3HG1 VAL 9 0.433 -6.957 -2.129
66 1HG2 VAL 9 1HG2 VAL 9 1.100 -8.375 -0.044
67 2HG2 VAL 9 2HG2 VAL 9 0.465 -7.242 1.149
68 3HG2 VAL 9 3HG2 VAL 9 2.181 -7.648 1.145
69 1HN PF5 10 H PF5 10 3.480 -4.114 -1.058
70 HA PF5 10 HA PF5 10 2.934 -3.618 -3.942
71 1HB PF5 10 1HB PF5 10 2.713 -1.284 -3.337
72 2HB PF5 10 2HB PF5 10 3.354 -1.603 -1.719
73 H GLY 11 H GLY 11 5.551 -4.117 -1.863
74 1HA GLY 11 2HA GLY 11 7.855 -4.049 -2.363
75 2HA GLY 11 1HA GLY 11 7.439 -3.452 -3.970
76 H MET 12 H MET 12 6.158 -1.795 -1.196
77 HA MET 12 HA MET 12 8.326 0.193 -1.168
78 1HB MET 12 2HB MET 12 7.018 0.956 -3.088
79 2HB MET 12 1HB MET 12 5.537 0.891 -2.132
80 1HG MET 12 2HG MET 12 6.275 2.666 -0.701
81 2HG MET 12 1HG MET 12 7.910 2.599 -1.357
82 1HE MET 12 1HE MET 12 4.584 2.353 -3.699
83 2HE MET 12 2HE MET 12 4.085 4.016 -3.401
84 3HE MET 12 3HE MET 12 4.284 2.907 -2.047
85 H THR 13 H THR 13 7.985 1.795 0.571
86 HA THR 13 HA THR 13 6.722 0.570 2.891
87 HB THR 13 HB THR 13 7.387 2.856 3.931
88 HG1 THR 13 1HG THR 13 9.175 3.122 1.856
89 1HG2 THR 13 1HG2 THR 13 9.729 2.152 4.079
90 2HG2 THR 13 2HG2 THR 13 9.515 1.095 2.683
91 3HG2 THR 13 3HG2 THR 13 8.668 0.749 4.191
92 H ARG 14 H ARG 14 4.947 1.475 4.096
93 HA ARG 14 HA ARG 14 2.764 2.423 2.532
94 1HB ARG 14 2HB ARG 14 3.210 2.646 5.524
95 2HB ARG 14 1HB ARG 14 1.665 2.884 4.707
96 1HG ARG 14 2HG ARG 14 1.888 0.547 3.778
97 2HG ARG 14 1HG ARG 14 3.298 0.332 4.816
98 1HD ARG 14 2HD ARG 14 0.489 0.991 5.761
99 2HD ARG 14 1HD ARG 14 1.299 -0.560 5.929
100 HE ARG 14 HE ARG 14 3.030 1.230 7.151
101 1HH1 ARG 14 1HH2 ARG 14 -0.337 0.491 7.393
102 2HH1 ARG 14 2HH2 ARG 14 -0.426 0.853 9.085
103 1HH2 ARG 14 1HH1 ARG 14 2.922 1.712 9.355
104 2HH2 ARG 14 2HH1 ARG 14 1.416 1.542 10.192
105 H SER 15 H SER 15 5.345 4.126 4.194
106 HA SER 15 HA SER 15 4.134 6.689 4.423
107 1HB SER 15 2HB SER 15 6.383 7.576 4.551
108 2HB SER 15 1HB SER 15 6.370 6.022 5.380
109 HG SER 15 HG SER 15 6.877 5.402 2.941
110 H ALA 16 H ALA 16 6.094 5.327 1.761
111 HA ALA 16 HA ALA 16 5.630 7.629 0.047
112 1HB ALA 16 1HB ALA 16 7.626 6.341 -0.338
113 2HB ALA 16 2HB ALA 16 6.576 6.081 -1.731
114 3HB ALA 16 3HB ALA 16 6.702 4.846 -0.479
115 H PHE 17 H PHE 17 4.061 4.540 0.613
116 HA PHE 17 HA PHE 17 2.483 4.363 -1.739
117 1HB PHE 17 2HB PHE 17 2.706 2.673 0.201
118 2HB PHE 17 1HB PHE 17 1.451 3.619 1.000
119 HD1 PHE 17 1HD PHE 17 2.232 1.791 -2.163
120 HD2 PHE 17 2HD PHE 17 -0.825 3.337 0.429
121 HE1 PHE 17 1HE PHE 17 0.501 0.642 -3.518
122 HE2 PHE 17 2HE PHE 17 -2.554 2.188 -0.926
123 HZ PHE 17 HZ PHE 17 -1.892 0.840 -2.899
124 H ALA 18 H ALA 18 2.024 6.240 1.229
125 HA ALA 18 HA ALA 18 -0.641 7.122 0.717
126 1HB ALA 18 1HB ALA 18 1.663 8.400 2.212
127 2HB ALA 18 2HB ALA 18 0.298 7.516 2.893
128 3HB ALA 18 3HB ALA 18 0.047 9.103 2.164
129 H ASN 19 H ASN 19 2.294 7.808 -0.889
130 HA ASN 19 HA ASN 19 1.816 10.485 -1.771
131 1HB ASN 19 2HB ASN 19 3.288 8.254 -3.207
132 2HB ASN 19 1HB ASN 19 3.445 9.980 -3.538
133 1HD2 ASN 19 1HD2 ASN 19 2.985 9.717 -0.240
134 2HD2 ASN 19 2HD2 ASN 19 4.607 9.687 0.260
135 H LEU 20 H LEU 20 0.678 7.364 -2.977
136 HA LEU 20 HA LEU 20 -0.350 8.331 -5.489
137 1HB LEU 20 2HB LEU 20 -1.393 5.994 -3.866
138 2HB LEU 20 1HB LEU 20 -1.526 6.225 -5.610
139 HG LEU 20 HG LEU 20 1.083 5.909 -4.095
140 1HD1 LEU 20 1HD1 LEU 20 1.091 3.730 -5.489
141 2HD1 LEU 20 2HD1 LEU 20 -0.642 3.996 -5.671
142 3HD1 LEU 20 3HD1 LEU 20 0.054 3.780 -4.064
143 1HD2 LEU 20 1HD2 LEU 20 0.347 6.340 -6.987
144 2HD2 LEU 20 2HD2 LEU 20 1.836 5.497 -6.561
145 3HD2 LEU 20 3HD2 LEU 20 1.580 7.159 -6.029
146 HA PRO 21 HA PRO 21 -4.009 10.617 -4.559
147 1HB PRO 21 2HB PRO 21 -5.379 8.527 -6.242
148 2HB PRO 21 1HB PRO 21 -5.567 10.294 -6.276
149 1HG PRO 21 2HG PRO 21 -4.090 9.112 -8.099
150 2HG PRO 21 1HG PRO 21 -3.531 10.618 -7.345
151 1HD PRO 21 2HD PRO 21 -2.564 7.821 -6.890
152 2HD PRO 21 1HD PRO 21 -1.659 9.348 -6.835
153 H LEU 22 H LEU 22 -5.355 10.559 -2.817
154 HA LEU 22 HA LEU 22 -5.497 8.480 -0.980
155 1HB LEU 22 2HB LEU 22 -6.384 10.965 -0.915
156 2HB LEU 22 1HB LEU 22 -7.916 10.210 -1.352
157 HG LEU 22 HG LEU 22 -6.201 9.412 1.019
158 1HD1 LEU 22 1HD1 LEU 22 -8.862 10.863 0.959
159 2HD1 LEU 22 2HD1 LEU 22 -7.310 11.659 1.212
160 3HD1 LEU 22 3HD1 LEU 22 -7.899 10.482 2.386
161 1HD2 LEU 22 1HD2 LEU 22 -7.406 7.489 0.426
162 2HD2 LEU 22 2HD2 LEU 22 -8.783 8.418 -0.164
163 3HD2 LEU 22 3HD2 LEU 22 -8.497 8.272 1.570
164 H TRP 23 H TRP 23 -8.053 9.206 -3.398
165 HA TRP 23 HA TRP 23 -9.666 6.953 -2.763
166 1HB TRP 23 2HB TRP 23 -10.788 7.359 -4.865
167 2HB TRP 23 1HB TRP 23 -10.356 8.922 -4.170
168 HD1 TRP 23 HD TRP 23 -8.608 10.390 -5.423
169 HE1 TRP 23 1HE TRP 23 -7.444 10.196 -7.717
170 HE3 TRP 23 3HE TRP 23 -9.816 5.575 -6.620
171 HZ2 TRP 23 2HZ TRP 23 -7.076 8.254 -9.784
172 HZ3 TRP 23 3HZ TRP 23 -9.047 4.580 -8.755
173 HH2 TRP 23 HH TRP 23 -7.680 5.911 -10.337
174 H ARG 24 H ARG 24 -7.039 7.295 -5.151
175 HA ARG 24 HA ARG 24 -7.337 4.740 -6.364
176 1HB ARG 24 2HB ARG 24 -5.892 6.550 -7.261
177 2HB ARG 24 1HB ARG 24 -4.769 6.288 -5.927
178 1HG ARG 24 2HG ARG 24 -4.387 3.986 -6.652
179 2HG ARG 24 1HG ARG 24 -5.576 4.172 -7.942
180 1HD ARG 24 2HD ARG 24 -3.946 4.945 -9.282
181 2HD ARG 24 1HD ARG 24 -3.759 6.330 -8.203
182 HE ARG 24 HE ARG 24 -2.301 4.365 -6.941
183 1HH1 ARG 24 1HH2 ARG 24 -2.465 5.625 -10.144
184 2HH1 ARG 24 2HH2 ARG 24 -0.785 5.368 -10.475
185 1HH2 ARG 24 1HH1 ARG 24 -0.104 4.022 -7.353
186 2HH2 ARG 24 2HH1 ARG 24 0.552 4.461 -8.895
187 H GLN 25 H GLN 25 -5.375 5.708 -3.532
188 HA GLN 25 HA GLN 25 -4.019 3.302 -3.090
189 1HB GLN 25 2HB GLN 25 -5.223 5.186 -1.048
190 2HB GLN 25 1HB GLN 25 -4.080 3.899 -0.658
191 1HG GLN 25 2HG GLN 25 -2.390 4.898 -2.113
192 2HG GLN 25 1HG GLN 25 -3.533 6.138 -2.633
193 1HE2 GLN 25 1HE2 GLN 25 -2.353 7.931 -1.734
194 2HE2 GLN 25 2HE2 GLN 25 -2.168 8.149 -0.062
195 H GLN 26 H GLN 26 -7.371 4.108 -2.133
196 HA GLN 26 HA GLN 26 -7.852 1.579 -0.827
197 1HB GLN 26 2HB GLN 26 -9.784 3.510 -2.146
198 2HB GLN 26 1HB GLN 26 -10.264 2.141 -1.145
199 1HG GLN 26 2HG GLN 26 -9.034 3.080 0.764
200 2HG GLN 26 1HG GLN 26 -8.506 4.437 -0.233
201 1HE2 GLN 26 1HE2 GLN 26 -10.002 4.996 2.079
202 2HE2 GLN 26 2HE2 GLN 26 -11.554 5.525 1.639
203 H ASN 27 H ASN 27 -8.187 2.747 -4.140
204 HA ASN 27 HA ASN 27 -9.535 0.503 -5.255
205 1HB ASN 27 2HB ASN 27 -9.041 2.737 -6.378
206 2HB ASN 27 1HB ASN 27 -7.403 2.144 -6.650
207 1HD2 ASN 27 1HD2 ASN 27 -7.156 1.200 -8.674
208 2HD2 ASN 27 2HD2 ASN 27 -8.377 0.391 -9.532
209 H LEU 28 H LEU 28 -6.022 1.191 -5.104
210 HA LEU 28 HA LEU 28 -5.264 -1.410 -6.102
211 1HB LEU 28 2HB LEU 28 -3.602 0.464 -4.398
212 2HB LEU 28 1HB LEU 28 -3.011 -0.783 -5.494
213 HG LEU 28 HG LEU 28 -4.508 1.738 -6.265
214 1HD1 LEU 28 1HD1 LEU 28 -2.185 2.189 -5.789
215 2HD1 LEU 28 2HD1 LEU 28 -2.356 2.129 -7.544
216 3HD1 LEU 28 3HD1 LEU 28 -1.670 0.754 -6.677
217 1HD2 LEU 28 1HD2 LEU 28 -3.733 -0.737 -7.805
218 2HD2 LEU 28 2HD2 LEU 28 -3.855 0.821 -8.621
219 3HD2 LEU 28 3HD2 LEU 28 -5.266 0.134 -7.816
220 H ARG 29 H ARG 29 -5.838 -0.106 -2.865
221 HA ARG 29 HA ARG 29 -4.745 -2.496 -1.572
222 1HB ARG 29 2HB ARG 29 -6.208 -0.064 -0.534
223 2HB ARG 29 1HB ARG 29 -5.720 -1.401 0.508
224 1HG ARG 29 2HG ARG 29 -3.368 -1.109 -0.283
225 2HG ARG 29 1HG ARG 29 -3.888 0.300 -1.207
226 1HD ARG 29 2HD ARG 29 -4.171 -0.010 1.796
227 2HD ARG 29 1HD ARG 29 -2.931 0.945 0.988
228 HE ARG 29 HE ARG 29 -5.309 1.939 -0.034
229 1HH1 ARG 29 1HH2 ARG 29 -3.965 1.382 3.096
230 2HH1 ARG 29 2HH2 ARG 29 -4.808 2.702 3.835
231 1HH2 ARG 29 1HH1 ARG 29 -6.413 3.660 0.913
232 2HH2 ARG 29 2HH1 ARG 29 -6.195 3.992 2.599
233 H ARG 30 H ARG 30 -8.042 -1.117 -1.978
234 HA ARG 30 HA ARG 30 -9.393 -3.245 -0.653
235 1HB ARG 30 2HB ARG 30 -10.435 -1.065 -1.379
236 2HB ARG 30 1HB ARG 30 -10.450 -1.688 -3.031
237 1HG ARG 30 2HG ARG 30 -11.838 -3.585 -2.326
238 2HG ARG 30 1HG ARG 30 -11.786 -3.020 -0.656
239 1HD ARG 30 2HD ARG 30 -12.996 -1.532 -3.003
240 2HD ARG 30 1HD ARG 30 -13.885 -2.315 -1.699
241 HE ARG 30 HE ARG 30 -12.700 0.301 -1.566
242 1HH1 ARG 30 1HH2 ARG 30 -13.215 -2.618 0.196
243 2HH1 ARG 30 2HH2 ARG 30 -13.184 -1.844 1.745
244 1HH2 ARG 30 1HH1 ARG 30 -12.658 1.327 0.442
245 2HH2 ARG 30 2HH1 ARG 30 -12.869 0.391 1.884
246 H GLU 31 H GLU 31 -8.480 -2.854 -4.078
247 HA GLU 31 HA GLU 31 -9.604 -5.296 -5.030
248 1HB GLU 31 2HB GLU 31 -8.524 -3.357 -6.368
249 2HB GLU 31 1HB GLU 31 -6.989 -4.157 -6.034
250 1HG GLU 31 2HG GLU 31 -9.326 -5.650 -7.228
251 2HG GLU 31 1HG GLU 31 -8.171 -4.776 -8.235
252 H ARG 32 H ARG 32 -6.832 -4.638 -3.057
253 HA ARG 32 HA ARG 32 -5.498 -7.177 -3.605
254 1HB ARG 32 2HB ARG 32 -4.409 -4.975 -2.827
255 2HB ARG 32 1HB ARG 32 -4.995 -5.404 -1.220
256 1HG ARG 32 2HG ARG 32 -2.915 -6.419 -1.164
257 2HG ARG 32 1HG ARG 32 -3.880 -7.743 -1.818
258 1HD ARG 32 2HD ARG 32 -3.301 -6.838 -4.136
259 2HD ARG 32 1HD ARG 32 -2.111 -5.815 -3.333
260 HE ARG 32 HE ARG 32 -1.556 -8.366 -2.389
261 1HH1 ARG 32 1HH2 ARG 32 -1.929 -6.851 -5.463
262 2HH1 ARG 32 2HH2 ARG 32 -0.798 -7.891 -6.262
263 1HH2 ARG 32 1HH1 ARG 32 -0.077 -9.732 -3.414
264 2HH2 ARG 32 2HH1 ARG 32 0.251 -9.522 -5.101
265 H GLY 33 H GLY 33 -7.986 -6.092 -1.423
266 1HA GLY 33 2HA GLY 33 -9.376 -7.658 -0.212
267 2HA GLY 33 1HA GLY 33 -8.059 -8.830 -0.274
268 H LEU 34 H LEU 34 -6.518 -6.076 0.521
269 HA LEU 34 HA LEU 34 -6.498 -6.798 3.384
270 1HB LEU 34 2HB LEU 34 -4.903 -4.666 1.933
271 2HB LEU 34 1HB LEU 34 -4.588 -5.299 3.548
272 HG LEU 34 HG LEU 34 -4.518 -6.930 0.992
273 1HD1 LEU 34 1HD1 LEU 34 -2.142 -6.876 1.165
274 2HD1 LEU 34 2HD1 LEU 34 -2.201 -6.182 2.785
275 3HD1 LEU 34 3HD1 LEU 34 -2.659 -5.204 1.391
276 1HD2 LEU 34 1HD2 LEU 34 -5.065 -8.457 2.680
277 2HD2 LEU 34 2HD2 LEU 34 -4.183 -7.559 3.915
278 3HD2 LEU 34 3HD2 LEU 34 -3.303 -8.503 2.712
279 H PHE 35 H PHE 35 -8.265 -4.736 1.429
280 HA PHE 35 HA PHE 35 -9.305 -3.302 3.764
281 1HB PHE 35 2HB PHE 35 -7.736 -1.914 1.589
282 2HB PHE 35 1HB PHE 35 -8.939 -1.057 2.552
283 HD1 PHE 35 1HD PHE 35 -5.623 -2.596 2.530
284 HD2 PHE 35 2HD PHE 35 -8.657 -0.841 5.012
285 HE1 PHE 35 1HE PHE 35 -3.974 -2.340 4.364
286 HE2 PHE 35 2HE PHE 35 -7.008 -0.584 6.847
287 HZ PHE 35 HZ PHE 35 -4.666 -1.334 6.523
Start of MODEL 15
1 1H LEU 1 1HT LEU 1 2.775 -1.429 10.715
2 2H LEU 1 2HT LEU 1 1.664 -0.583 11.684
3 3H LEU 1 3HT LEU 1 1.792 -0.231 10.026
4 HA LEU 1 HA LEU 1 0.652 -2.642 11.305
5 1HB LEU 1 2HB LEU 1 -0.805 -0.653 10.908
6 2HB LEU 1 1HB LEU 1 -0.403 -0.738 9.193
7 HG LEU 1 HG LEU 1 -1.285 -3.089 9.164
8 1HD1 LEU 1 1HD1 LEU 1 -1.783 -2.364 12.031
9 2HD1 LEU 1 2HD1 LEU 1 -1.228 -3.891 11.345
10 3HD1 LEU 1 3HD1 LEU 1 -2.925 -3.431 11.214
11 1HD2 LEU 1 1HD2 LEU 1 -3.193 -0.916 10.090
12 2HD2 LEU 1 2HD2 LEU 1 -3.677 -2.409 9.285
13 3HD2 LEU 1 3HD2 LEU 1 -2.697 -1.221 8.426
14 H SER 2 H SER 2 1.457 -4.473 10.394
15 HA SER 2 HA SER 2 2.387 -5.906 8.772
16 1HB SER 2 2HB SER 2 0.178 -4.443 7.329
17 2HB SER 2 1HB SER 2 1.131 -5.683 6.519
18 HG SER 2 HG SER 2 -0.936 -6.133 7.927
19 H ASP 3 H ASP 3 3.728 -3.296 9.130
20 HA ASP 3 HA ASP 3 4.433 -2.069 6.679
21 1HB ASP 3 2HB ASP 3 6.158 -2.532 9.134
22 2HB ASP 3 1HB ASP 3 6.530 -1.399 7.834
23 H GLU 4 H GLU 4 5.509 -5.079 8.145
24 HA GLU 4 HA GLU 4 7.680 -5.495 6.241
25 1HB GLU 4 2HB GLU 4 7.507 -6.535 8.570
26 2HB GLU 4 1HB GLU 4 6.283 -7.610 7.894
27 1HG GLU 4 2HG GLU 4 7.922 -8.333 6.160
28 2HG GLU 4 1HG GLU 4 9.147 -7.330 6.938
29 H ASP 5 H ASP 5 4.518 -7.102 6.735
30 HA ASP 5 HA ASP 5 4.572 -8.504 4.235
31 1HB ASP 5 2HB ASP 5 3.069 -9.122 6.109
32 2HB ASP 5 1HB ASP 5 2.175 -7.619 5.874
33 H PHE 6 H PHE 6 3.269 -5.349 5.200
34 HA PHE 6 HA PHE 6 1.908 -4.694 2.802
35 1HB PHE 6 2HB PHE 6 1.745 -3.325 4.836
36 2HB PHE 6 1HB PHE 6 3.443 -2.872 4.682
37 HD1 PHE 6 1HD PHE 6 0.048 -2.275 3.508
38 HD2 PHE 6 2HD PHE 6 4.202 -1.506 2.724
39 HE1 PHE 6 1HE PHE 6 -0.581 -0.418 1.991
40 HE2 PHE 6 2HE PHE 6 3.571 0.352 1.206
41 HZ PHE 6 HZ PHE 6 1.178 0.896 0.840
42 H ARG 7 H ARG 7 5.221 -3.678 3.725
43 HA ARG 7 HA ARG 7 5.969 -2.522 1.293
44 1HB ARG 7 2HB ARG 7 7.328 -2.558 3.415
45 2HB ARG 7 1HB ARG 7 7.794 -4.214 3.026
46 1HG ARG 7 2HG ARG 7 8.741 -3.435 0.877
47 2HG ARG 7 1HG ARG 7 8.298 -1.779 1.289
48 1HD ARG 7 2HD ARG 7 9.683 -2.667 3.532
49 2HD ARG 7 1HD ARG 7 10.581 -3.364 2.187
50 HE ARG 7 HE ARG 7 10.747 -0.662 2.929
51 1HH1 ARG 7 1HH2 ARG 7 9.921 -2.543 0.161
52 2HH1 ARG 7 2HH2 ARG 7 10.466 -1.352 -0.973
53 1HH2 ARG 7 1HH1 ARG 7 11.461 0.901 1.467
54 2HH2 ARG 7 2HH1 ARG 7 11.339 0.598 -0.234
55 H ALA 8 H ALA 8 5.930 -5.954 2.165
56 HA ALA 8 HA ALA 8 7.285 -6.903 -0.180
57 1HB ALA 8 1HB ALA 8 5.183 -8.334 1.471
58 2HB ALA 8 2HB ALA 8 6.894 -8.255 1.891
59 3HB ALA 8 3HB ALA 8 6.382 -9.086 0.421
60 H VAL 9 H VAL 9 3.935 -6.006 0.436
61 HA VAL 9 HA VAL 9 2.858 -7.293 -1.913
62 HB VAL 9 HB VAL 9 1.807 -5.026 -0.203
63 1HG1 VAL 9 1HG1 VAL 9 -0.394 -5.693 -1.325
64 2HG1 VAL 9 2HG1 VAL 9 0.587 -6.540 -2.522
65 3HG1 VAL 9 3HG1 VAL 9 0.742 -4.793 -2.329
66 1HG2 VAL 9 1HG2 VAL 9 0.492 -6.705 0.862
67 2HG2 VAL 9 2HG2 VAL 9 2.108 -7.398 0.745
68 3HG2 VAL 9 3HG2 VAL 9 0.853 -7.891 -0.391
69 1HN PF5 10 H PF5 10 3.773 -3.875 -1.274
70 HA PF5 10 HA PF5 10 3.515 -3.414 -4.209
71 1HB PF5 10 1HB PF5 10 3.271 -1.081 -3.695
72 2HB PF5 10 2HB PF5 10 3.807 -1.334 -2.029
73 H GLY 11 H GLY 11 5.854 -3.744 -1.714
74 1HA GLY 11 2HA GLY 11 8.205 -3.892 -2.048
75 2HA GLY 11 1HA GLY 11 7.986 -3.242 -3.673
76 H MET 12 H MET 12 6.418 -1.525 -1.130
77 HA MET 12 HA MET 12 8.688 0.337 -0.780
78 1HB MET 12 2HB MET 12 7.499 2.271 -1.569
79 2HB MET 12 1HB MET 12 7.382 1.053 -2.840
80 1HG MET 12 2HG MET 12 5.186 0.411 -1.397
81 2HG MET 12 1HG MET 12 5.267 2.141 -1.061
82 1HE MET 12 1HE MET 12 5.128 3.981 -2.655
83 2HE MET 12 2HE MET 12 5.069 3.870 -4.412
84 3HE MET 12 3HE MET 12 6.545 3.427 -3.559
85 H THR 13 H THR 13 8.262 1.890 0.976
86 HA THR 13 HA THR 13 6.774 0.665 3.146
87 HB THR 13 HB THR 13 7.357 2.933 4.273
88 HG1 THR 13 1HG THR 13 7.721 3.831 2.070
89 1HG2 THR 13 1HG2 THR 13 9.674 2.212 4.614
90 2HG2 THR 13 2HG2 THR 13 9.577 1.177 3.190
91 3HG2 THR 13 3HG2 THR 13 8.600 0.814 4.613
92 H ARG 14 H ARG 14 4.939 1.626 4.249
93 HA ARG 14 HA ARG 14 2.827 2.475 2.584
94 1HB ARG 14 2HB ARG 14 3.229 3.013 5.542
95 2HB ARG 14 1HB ARG 14 1.702 3.203 4.679
96 1HG ARG 14 2HG ARG 14 1.981 0.754 3.963
97 2HG ARG 14 1HG ARG 14 3.248 0.654 5.186
98 1HD ARG 14 2HD ARG 14 1.215 -0.057 6.263
99 2HD ARG 14 1HD ARG 14 1.560 1.561 6.857
100 HE ARG 14 HE ARG 14 -0.076 1.961 4.635
101 1HH1 ARG 14 1HH2 ARG 14 -0.215 0.121 7.557
102 2HH1 ARG 14 2HH2 ARG 14 -1.935 0.256 7.712
103 1HH2 ARG 14 1HH1 ARG 14 -2.321 2.137 4.827
104 2HH2 ARG 14 2HH1 ARG 14 -3.124 1.397 6.171
105 H SER 15 H SER 15 5.383 4.344 4.107
106 HA SER 15 HA SER 15 4.177 6.926 3.947
107 1HB SER 15 2HB SER 15 7.113 6.258 3.583
108 2HB SER 15 1HB SER 15 6.441 7.815 4.060
109 HG SER 15 HG SER 15 5.717 5.574 5.552
110 H ALA 16 H ALA 16 6.140 5.104 1.598
111 HA ALA 16 HA ALA 16 5.970 7.182 -0.428
112 1HB ALA 16 1HB ALA 16 6.893 5.433 -1.931
113 2HB ALA 16 2HB ALA 16 6.679 4.240 -0.651
114 3HB ALA 16 3HB ALA 16 7.820 5.568 -0.437
115 H PHE 17 H PHE 17 4.287 4.100 0.178
116 HA PHE 17 HA PHE 17 2.657 4.099 -2.150
117 1HB PHE 17 2HB PHE 17 2.915 2.236 -0.415
118 2HB PHE 17 1HB PHE 17 1.756 3.127 0.571
119 HD1 PHE 17 1HD PHE 17 2.212 1.734 -2.876
120 HD2 PHE 17 2HD PHE 17 -0.546 2.829 0.229
121 HE1 PHE 17 1HE PHE 17 0.346 0.765 -4.192
122 HE2 PHE 17 2HE PHE 17 -2.412 1.862 -1.088
123 HZ PHE 17 HZ PHE 17 -1.966 0.830 -3.297
124 H ALA 18 H ALA 18 2.259 5.719 0.975
125 HA ALA 18 HA ALA 18 -0.408 6.626 0.656
126 1HB ALA 18 1HB ALA 18 1.903 8.102 1.958
127 2HB ALA 18 2HB ALA 18 0.915 6.874 2.750
128 3HB ALA 18 3HB ALA 18 0.188 8.399 2.244
129 H ASN 19 H ASN 19 2.431 7.449 -1.076
130 HA ASN 19 HA ASN 19 1.887 10.136 -1.831
131 1HB ASN 19 2HB ASN 19 3.999 8.774 -2.285
132 2HB ASN 19 1HB ASN 19 3.128 8.054 -3.640
133 1HD2 ASN 19 1HD2 ASN 19 4.882 9.192 -4.970
134 2HD2 ASN 19 2HD2 ASN 19 4.639 10.821 -5.375
135 H LEU 20 H LEU 20 0.567 7.088 -3.020
136 HA LEU 20 HA LEU 20 -0.651 8.173 -5.405
137 1HB LEU 20 2HB LEU 20 -1.471 5.751 -3.771
138 2HB LEU 20 1HB LEU 20 -1.936 6.085 -5.440
139 HG LEU 20 HG LEU 20 0.918 5.716 -4.480
140 1HD1 LEU 20 1HD1 LEU 20 0.658 3.608 -5.956
141 2HD1 LEU 20 2HD1 LEU 20 -1.079 3.862 -5.778
142 3HD1 LEU 20 3HD1 LEU 20 -0.078 3.575 -4.354
143 1HD2 LEU 20 1HD2 LEU 20 1.084 7.029 -6.406
144 2HD2 LEU 20 2HD2 LEU 20 -0.377 6.346 -7.118
145 3HD2 LEU 20 3HD2 LEU 20 1.114 5.404 -7.091
146 HA PRO 21 HA PRO 21 -4.185 10.446 -4.059
147 1HB PRO 21 2HB PRO 21 -5.722 8.432 -5.690
148 2HB PRO 21 1HB PRO 21 -5.900 10.200 -5.635
149 1HG PRO 21 2HG PRO 21 -4.606 9.089 -7.633
150 2HG PRO 21 1HG PRO 21 -3.967 10.559 -6.871
151 1HD PRO 21 2HD PRO 21 -2.986 7.741 -6.626
152 2HD PRO 21 1HD PRO 21 -2.067 9.262 -6.587
153 H LEU 22 H LEU 22 -5.445 10.335 -2.246
154 HA LEU 22 HA LEU 22 -5.411 8.159 -0.484
155 1HB LEU 22 2HB LEU 22 -6.039 10.490 0.121
156 2HB LEU 22 1HB LEU 22 -7.587 10.260 -0.693
157 HG LEU 22 HG LEU 22 -8.037 8.322 0.831
158 1HD1 LEU 22 1HD1 LEU 22 -5.991 7.540 1.612
159 2HD1 LEU 22 2HD1 LEU 22 -6.510 8.516 2.986
160 3HD1 LEU 22 3HD1 LEU 22 -5.340 9.164 1.836
161 1HD2 LEU 22 1HD2 LEU 22 -7.416 10.928 2.258
162 2HD2 LEU 22 2HD2 LEU 22 -8.570 9.701 2.781
163 3HD2 LEU 22 3HD2 LEU 22 -8.873 10.626 1.310
164 H TRP 23 H TRP 23 -7.967 8.990 -2.842
165 HA TRP 23 HA TRP 23 -9.670 6.790 -2.066
166 1HB TRP 23 2HB TRP 23 -10.985 7.358 -4.007
167 2HB TRP 23 1HB TRP 23 -10.425 8.865 -3.281
168 HD1 TRP 23 HD TRP 23 -8.814 10.366 -4.653
169 HE1 TRP 23 1HE TRP 23 -7.883 10.257 -7.054
170 HE3 TRP 23 3HE TRP 23 -10.195 5.616 -5.918
171 HZ2 TRP 23 2HZ TRP 23 -7.743 8.399 -9.225
172 HZ3 TRP 23 3HZ TRP 23 -9.652 4.702 -8.156
173 HH2 TRP 23 HH TRP 23 -8.428 6.086 -9.809
174 H ARG 24 H ARG 24 -7.233 7.199 -4.625
175 HA ARG 24 HA ARG 24 -7.734 4.753 -5.990
176 1HB ARG 24 2HB ARG 24 -6.284 6.560 -6.875
177 2HB ARG 24 1HB ARG 24 -5.080 6.175 -5.643
178 1HG ARG 24 2HG ARG 24 -4.842 3.910 -6.536
179 2HG ARG 24 1HG ARG 24 -6.106 4.224 -7.726
180 1HD ARG 24 2HD ARG 24 -4.525 5.004 -9.122
181 2HD ARG 24 1HD ARG 24 -4.243 6.331 -7.992
182 HE ARG 24 HE ARG 24 -2.762 4.274 -6.912
183 1HH1 ARG 24 1HH2 ARG 24 -3.080 5.697 -10.035
184 2HH1 ARG 24 2HH2 ARG 24 -1.427 5.420 -10.476
185 1HH2 ARG 24 1HH1 ARG 24 -0.601 3.906 -7.469
186 2HH2 ARG 24 2HH1 ARG 24 -0.024 4.408 -9.023
187 H GLN 25 H GLN 25 -5.542 5.441 -3.247
188 HA GLN 25 HA GLN 25 -4.256 2.960 -3.079
189 1HB GLN 25 2HB GLN 25 -5.227 4.742 -0.831
190 2HB GLN 25 1HB GLN 25 -4.123 3.382 -0.610
191 1HG GLN 25 2HG GLN 25 -2.541 4.420 -2.221
192 2HG GLN 25 1HG GLN 25 -3.629 5.801 -2.377
193 1HE2 GLN 25 1HE2 GLN 25 -1.981 3.928 0.234
194 2HE2 GLN 25 2HE2 GLN 25 -1.647 5.286 1.196
195 H GLN 26 H GLN 26 -7.496 3.816 -1.829
196 HA GLN 26 HA GLN 26 -8.010 1.272 -0.606
197 1HB GLN 26 2HB GLN 26 -9.930 3.269 -1.843
198 2HB GLN 26 1HB GLN 26 -10.421 1.888 -0.863
199 1HG GLN 26 2HG GLN 26 -9.135 2.753 1.040
200 2HG GLN 26 1HG GLN 26 -8.587 4.117 0.065
201 1HE2 GLN 26 1HE2 GLN 26 -10.070 4.576 2.452
202 2HE2 GLN 26 2HE2 GLN 26 -11.596 5.194 2.038
203 H ASN 27 H ASN 27 -8.454 2.508 -3.888
204 HA ASN 27 HA ASN 27 -9.843 0.268 -4.979
205 1HB ASN 27 2HB ASN 27 -9.491 2.514 -6.092
206 2HB ASN 27 1HB ASN 27 -7.830 2.019 -6.423
207 1HD2 ASN 27 1HD2 ASN 27 -11.223 0.925 -6.966
208 2HD2 ASN 27 2HD2 ASN 27 -10.892 0.152 -8.440
209 H LEU 28 H LEU 28 -6.339 1.021 -5.005
210 HA LEU 28 HA LEU 28 -5.600 -1.545 -6.112
211 1HB LEU 28 2HB LEU 28 -3.869 0.345 -4.495
212 2HB LEU 28 1HB LEU 28 -3.321 -0.883 -5.634
213 HG LEU 28 HG LEU 28 -4.917 1.609 -6.294
214 1HD1 LEU 28 1HD1 LEU 28 -2.868 2.098 -7.669
215 2HD1 LEU 28 2HD1 LEU 28 -2.097 0.692 -6.932
216 3HD1 LEU 28 3HD1 LEU 28 -2.560 2.070 -5.932
217 1HD2 LEU 28 1HD2 LEU 28 -4.383 0.717 -8.692
218 2HD2 LEU 28 2HD2 LEU 28 -5.734 0.005 -7.812
219 3HD2 LEU 28 3HD2 LEU 28 -4.190 -0.842 -7.891
220 H ARG 29 H ARG 29 -5.970 -0.305 -2.819
221 HA ARG 29 HA ARG 29 -4.712 -2.639 -1.611
222 1HB ARG 29 2HB ARG 29 -6.351 -0.358 -0.497
223 2HB ARG 29 1HB ARG 29 -5.743 -1.672 0.512
224 1HG ARG 29 2HG ARG 29 -3.442 -1.176 -0.195
225 2HG ARG 29 1HG ARG 29 -4.031 0.113 -1.246
226 1HD ARG 29 2HD ARG 29 -4.383 0.023 1.765
227 2HD ARG 29 1HD ARG 29 -3.198 1.007 0.910
228 HE ARG 29 HE ARG 29 -5.615 1.721 -0.244
229 1HH1 ARG 29 1HH2 ARG 29 -4.327 1.525 2.950
230 2HH1 ARG 29 2HH2 ARG 29 -5.293 2.826 3.561
231 1HH2 ARG 29 1HH1 ARG 29 -6.880 3.418 0.535
232 2HH2 ARG 29 2HH1 ARG 29 -6.739 3.898 2.193
233 H ARG 30 H ARG 30 -8.101 -1.598 -2.116
234 HA ARG 30 HA ARG 30 -9.236 -3.835 -0.710
235 1HB ARG 30 2HB ARG 30 -10.485 -1.740 -1.350
236 2HB ARG 30 1HB ARG 30 -10.492 -2.319 -3.017
237 1HG ARG 30 2HG ARG 30 -11.773 -4.267 -2.420
238 2HG ARG 30 1HG ARG 30 -11.571 -3.941 -0.699
239 1HD ARG 30 2HD ARG 30 -12.970 -2.028 -2.582
240 2HD ARG 30 1HD ARG 30 -13.822 -3.264 -1.659
241 HE ARG 30 HE ARG 30 -12.344 -1.919 0.256
242 1HH1 ARG 30 1HH2 ARG 30 -14.561 -1.056 -2.241
243 2HH1 ARG 30 2HH2 ARG 30 -15.180 0.323 -1.395
244 1HH2 ARG 30 1HH1 ARG 30 -13.138 -0.127 1.372
245 2HH2 ARG 30 2HH1 ARG 30 -14.374 0.849 0.652
246 H GLU 31 H GLU 31 -8.297 -3.328 -4.095
247 HA GLU 31 HA GLU 31 -9.356 -5.745 -5.168
248 1HB GLU 31 2HB GLU 31 -6.986 -4.022 -5.907
249 2HB GLU 31 1HB GLU 31 -7.362 -5.491 -6.805
250 1HG GLU 31 2HG GLU 31 -9.608 -4.636 -7.301
251 2HG GLU 31 1HG GLU 31 -9.276 -3.182 -6.359
252 H ARG 32 H ARG 32 -6.704 -5.151 -3.035
253 HA ARG 32 HA ARG 32 -5.710 -7.936 -3.455
254 1HB ARG 32 2HB ARG 32 -4.354 -5.483 -2.310
255 2HB ARG 32 1HB ARG 32 -3.649 -7.100 -2.269
256 1HG ARG 32 2HG ARG 32 -3.765 -7.225 -4.724
257 2HG ARG 32 1HG ARG 32 -4.490 -5.618 -4.777
258 1HD ARG 32 2HD ARG 32 -2.357 -4.934 -3.388
259 2HD ARG 32 1HD ARG 32 -1.678 -6.403 -4.086
260 HE ARG 32 HE ARG 32 -2.006 -3.945 -5.485
261 1HH1 ARG 32 1HH2 ARG 32 -2.590 -7.331 -5.770
262 2HH1 ARG 32 2HH2 ARG 32 -2.456 -7.344 -7.497
263 1HH2 ARG 32 1HH1 ARG 32 -1.829 -3.941 -7.737
264 2HH2 ARG 32 2HH1 ARG 32 -2.026 -5.425 -8.611
265 H GLY 33 H GLY 33 -7.867 -6.487 -1.535
266 1HA GLY 33 2HA GLY 33 -8.793 -7.230 0.508
267 2HA GLY 33 1HA GLY 33 -7.536 -8.465 0.572
268 H LEU 34 H LEU 34 -7.286 -4.897 0.465
269 HA LEU 34 HA LEU 34 -6.142 -4.949 3.204
270 1HB LEU 34 2HB LEU 34 -4.710 -3.945 0.734
271 2HB LEU 34 1HB LEU 34 -4.246 -3.469 2.367
272 HG LEU 34 HG LEU 34 -4.436 -6.343 1.424
273 1HD1 LEU 34 1HD1 LEU 34 -1.928 -6.244 1.529
274 2HD1 LEU 34 2HD1 LEU 34 -2.050 -4.498 1.744
275 3HD1 LEU 34 3HD1 LEU 34 -2.615 -5.243 0.250
276 1HD2 LEU 34 1HD2 LEU 34 -3.824 -4.966 3.997
277 2HD2 LEU 34 2HD2 LEU 34 -2.833 -6.367 3.591
278 3HD2 LEU 34 3HD2 LEU 34 -4.584 -6.532 3.715
279 H PHE 35 H PHE 35 -8.396 -3.714 1.294
280 HA PHE 35 HA PHE 35 -9.486 -1.623 1.110
281 1HB PHE 35 2HB PHE 35 -10.112 -0.751 3.246
282 2HB PHE 35 1HB PHE 35 -9.918 -2.488 3.475
283 HD1 PHE 35 1HD PHE 35 -8.277 0.812 3.950
284 HD2 PHE 35 2HD PHE 35 -8.208 -3.377 4.893
285 HE1 PHE 35 1HE PHE 35 -6.553 1.231 5.684
286 HE2 PHE 35 2HE PHE 35 -6.485 -2.959 6.626
287 HZ PHE 35 HZ PHE 35 -5.658 -0.654 7.021
Start of MODEL 16
1 1H LEU 1 1HT LEU 1 1.798 -1.066 11.810
2 2H LEU 1 2HT LEU 1 1.276 -0.117 10.501
3 3H LEU 1 3HT LEU 1 2.539 -1.235 10.294
4 HA LEU 1 HA LEU 1 0.473 -2.743 11.264
5 1HB LEU 1 2HB LEU 1 -0.452 -0.572 9.384
6 2HB LEU 1 1HB LEU 1 -1.259 -2.140 9.433
7 HG LEU 1 HG LEU 1 -1.585 -1.857 11.888
8 1HD1 LEU 1 1HD1 LEU 1 -0.241 0.778 11.279
9 2HD1 LEU 1 2HD1 LEU 1 0.167 -0.396 12.532
10 3HD1 LEU 1 3HD1 LEU 1 -1.294 0.582 12.681
11 1HD2 LEU 1 1HD2 LEU 1 -3.354 -0.156 11.707
12 2HD2 LEU 1 2HD2 LEU 1 -3.345 -1.180 10.272
13 3HD2 LEU 1 3HD2 LEU 1 -2.645 0.437 10.204
14 H SER 2 H SER 2 1.477 -4.513 10.414
15 HA SER 2 HA SER 2 2.554 -5.895 8.839
16 1HB SER 2 2HB SER 2 1.356 -5.730 6.531
17 2HB SER 2 1HB SER 2 0.421 -6.264 7.923
18 HG SER 2 HG SER 2 0.571 -3.620 6.887
19 H ASP 3 H ASP 3 3.790 -3.288 9.241
20 HA ASP 3 HA ASP 3 4.458 -1.953 6.835
21 1HB ASP 3 2HB ASP 3 6.308 -2.440 9.190
22 2HB ASP 3 1HB ASP 3 6.425 -1.134 8.011
23 H GLU 4 H GLU 4 5.661 -4.957 8.219
24 HA GLU 4 HA GLU 4 7.826 -5.227 6.277
25 1HB GLU 4 2HB GLU 4 7.766 -6.303 8.591
26 2HB GLU 4 1HB GLU 4 6.575 -7.428 7.937
27 1HG GLU 4 2HG GLU 4 8.201 -8.051 6.148
28 2HG GLU 4 1HG GLU 4 9.398 -7.007 6.916
29 H ASP 5 H ASP 5 4.766 -7.011 6.814
30 HA ASP 5 HA ASP 5 4.833 -8.400 4.316
31 1HB ASP 5 2HB ASP 5 2.577 -7.645 6.185
32 2HB ASP 5 1HB ASP 5 2.305 -8.579 4.713
33 H PHE 6 H PHE 6 3.413 -5.291 5.273
34 HA PHE 6 HA PHE 6 2.026 -4.689 2.883
35 1HB PHE 6 2HB PHE 6 1.841 -3.310 4.907
36 2HB PHE 6 1HB PHE 6 3.523 -2.809 4.734
37 HD1 PHE 6 1HD PHE 6 0.104 -2.396 3.496
38 HD2 PHE 6 2HD PHE 6 4.222 -1.359 2.851
39 HE1 PHE 6 1HE PHE 6 -0.594 -0.568 1.971
40 HE2 PHE 6 2HE PHE 6 3.523 0.468 1.326
41 HZ PHE 6 HZ PHE 6 1.115 0.863 0.887
42 H ARG 7 H ARG 7 5.325 -3.596 3.767
43 HA ARG 7 HA ARG 7 6.021 -2.420 1.330
44 1HB ARG 7 2HB ARG 7 7.445 -2.345 3.347
45 2HB ARG 7 1HB ARG 7 7.827 -4.055 3.142
46 1HG ARG 7 2HG ARG 7 8.936 -3.630 1.042
47 2HG ARG 7 1HG ARG 7 8.379 -1.956 1.028
48 1HD ARG 7 2HD ARG 7 10.674 -1.949 1.774
49 2HD ARG 7 1HD ARG 7 9.661 -1.603 3.174
50 HE ARG 7 HE ARG 7 9.976 -4.365 3.220
51 1HH1 ARG 7 1HH2 ARG 7 12.029 -1.599 3.095
52 2HH1 ARG 7 2HH2 ARG 7 13.328 -2.361 3.952
53 1HH2 ARG 7 1HH1 ARG 7 11.657 -5.375 4.336
54 2HH2 ARG 7 2HH1 ARG 7 13.118 -4.499 4.654
55 H ALA 8 H ALA 8 5.953 -5.849 2.162
56 HA ALA 8 HA ALA 8 7.308 -6.742 -0.233
57 1HB ALA 8 1HB ALA 8 7.181 -8.165 1.754
58 2HB ALA 8 2HB ALA 8 6.398 -8.973 0.396
59 3HB ALA 8 3HB ALA 8 5.421 -8.197 1.644
60 H VAL 9 H VAL 9 3.962 -5.987 0.558
61 HA VAL 9 HA VAL 9 2.834 -7.327 -1.746
62 HB VAL 9 HB VAL 9 1.740 -5.153 0.054
63 1HG1 VAL 9 1HG1 VAL 9 -0.475 -5.965 -0.962
64 2HG1 VAL 9 2HG1 VAL 9 0.505 -6.695 -2.234
65 3HG1 VAL 9 3HG1 VAL 9 0.536 -4.949 -1.990
66 1HG2 VAL 9 1HG2 VAL 9 0.574 -6.930 1.149
67 2HG2 VAL 9 2HG2 VAL 9 2.233 -7.500 0.962
68 3HG2 VAL 9 3HG2 VAL 9 0.975 -8.075 -0.131
69 1HN PF5 10 H PF5 10 3.479 -3.846 -1.089
70 HA PF5 10 HA PF5 10 3.026 -3.352 -3.987
71 1HB PF5 10 1HB PF5 10 2.783 -1.020 -3.383
72 2HB PF5 10 2HB PF5 10 3.380 -1.339 -1.749
73 H GLY 11 H GLY 11 5.588 -3.849 -1.840
74 1HA GLY 11 2HA GLY 11 7.900 -3.824 -2.331
75 2HA GLY 11 1HA GLY 11 7.513 -3.156 -3.917
76 H MET 12 H MET 12 6.174 -1.560 -1.153
77 HA MET 12 HA MET 12 8.401 0.346 -0.923
78 1HB MET 12 2HB MET 12 6.782 2.279 -1.441
79 2HB MET 12 1HB MET 12 7.384 1.358 -2.821
80 1HG MET 12 2HG MET 12 5.329 -0.007 -2.812
81 2HG MET 12 1HG MET 12 4.724 0.912 -1.433
82 1HE MET 12 1HE MET 12 6.683 2.485 -4.737
83 2HE MET 12 2HE MET 12 5.296 2.117 -5.760
84 3HE MET 12 3HE MET 12 6.064 0.831 -4.833
85 H THR 13 H THR 13 8.103 1.788 0.903
86 HA THR 13 HA THR 13 6.643 0.581 3.080
87 HB THR 13 HB THR 13 7.262 2.818 4.227
88 HG1 THR 13 1HG THR 13 7.526 4.018 2.338
89 1HG2 THR 13 1HG2 THR 13 9.626 2.134 4.406
90 2HG2 THR 13 2HG2 THR 13 9.426 1.082 3.005
91 3HG2 THR 13 3HG2 THR 13 8.552 0.739 4.498
92 H ARG 14 H ARG 14 4.837 1.527 4.242
93 HA ARG 14 HA ARG 14 2.682 2.398 2.643
94 1HB ARG 14 2HB ARG 14 3.158 2.888 5.598
95 2HB ARG 14 1HB ARG 14 1.611 3.090 4.778
96 1HG ARG 14 2HG ARG 14 1.771 0.677 4.054
97 2HG ARG 14 1HG ARG 14 3.185 0.520 5.096
98 1HD ARG 14 2HD ARG 14 0.339 1.126 5.918
99 2HD ARG 14 1HD ARG 14 1.355 -0.211 6.434
100 HE ARG 14 HE ARG 14 1.285 2.394 7.642
101 1HH1 ARG 14 1HH2 ARG 14 3.432 -0.109 6.609
102 2HH1 ARG 14 2HH2 ARG 14 4.677 0.315 7.738
103 1HH2 ARG 14 1HH1 ARG 14 2.899 2.949 9.122
104 2HH2 ARG 14 2HH1 ARG 14 4.375 2.044 9.156
105 H SER 15 H SER 15 5.275 4.243 4.130
106 HA SER 15 HA SER 15 4.048 6.826 4.020
107 1HB SER 15 2HB SER 15 6.987 6.169 3.657
108 2HB SER 15 1HB SER 15 6.312 7.722 4.142
109 HG SER 15 HG SER 15 5.961 5.282 5.554
110 H ALA 16 H ALA 16 6.090 5.090 1.665
111 HA ALA 16 HA ALA 16 5.881 7.173 -0.340
112 1HB ALA 16 1HB ALA 16 6.815 4.311 -0.335
113 2HB ALA 16 2HB ALA 16 7.748 5.777 -0.632
114 3HB ALA 16 3HB ALA 16 6.626 5.183 -1.856
115 H PHE 17 H PHE 17 4.218 4.075 0.232
116 HA PHE 17 HA PHE 17 2.589 4.094 -2.100
117 1HB PHE 17 2HB PHE 17 2.861 2.196 -0.419
118 2HB PHE 17 1HB PHE 17 1.724 3.065 0.613
119 HD1 PHE 17 1HD PHE 17 2.091 1.819 -2.905
120 HD2 PHE 17 2HD PHE 17 -0.574 2.710 0.344
121 HE1 PHE 17 1HE PHE 17 0.197 0.884 -4.203
122 HE2 PHE 17 2HE PHE 17 -2.468 1.775 -0.954
123 HZ PHE 17 HZ PHE 17 -2.083 0.861 -3.227
124 H ALA 18 H ALA 18 2.146 5.616 1.077
125 HA ALA 18 HA ALA 18 -0.518 6.537 0.707
126 1HB ALA 18 1HB ALA 18 -0.048 8.122 2.465
127 2HB ALA 18 2HB ALA 18 1.686 8.025 2.160
128 3HB ALA 18 3HB ALA 18 0.834 6.643 2.847
129 H ASN 19 H ASN 19 2.398 7.446 -0.850
130 HA ASN 19 HA ASN 19 1.835 10.176 -1.476
131 1HB ASN 19 2HB ASN 19 4.039 8.987 -1.810
132 2HB ASN 19 1HB ASN 19 3.328 8.198 -3.217
133 1HD2 ASN 19 1HD2 ASN 19 3.987 11.472 -1.879
134 2HD2 ASN 19 2HD2 ASN 19 4.135 12.224 -3.393
135 H LEU 20 H LEU 20 0.840 7.146 -3.022
136 HA LEU 20 HA LEU 20 -0.221 8.264 -5.428
137 1HB LEU 20 2HB LEU 20 -1.249 5.847 -3.909
138 2HB LEU 20 1HB LEU 20 -1.478 6.186 -5.625
139 HG LEU 20 HG LEU 20 1.242 5.852 -4.332
140 1HD1 LEU 20 1HD1 LEU 20 0.252 3.714 -4.140
141 2HD1 LEU 20 2HD1 LEU 20 1.132 3.635 -5.666
142 3HD1 LEU 20 3HD1 LEU 20 -0.613 3.882 -5.667
143 1HD2 LEU 20 1HD2 LEU 20 0.211 6.180 -7.149
144 2HD2 LEU 20 2HD2 LEU 20 1.756 5.388 -6.843
145 3HD2 LEU 20 3HD2 LEU 20 1.509 7.060 -6.342
146 HA PRO 21 HA PRO 21 -3.862 10.538 -4.414
147 1HB PRO 21 2HB PRO 21 -5.256 8.536 -6.180
148 2HB PRO 21 1HB PRO 21 -5.421 10.305 -6.143
149 1HG PRO 21 2HG PRO 21 -3.960 9.183 -8.014
150 2HG PRO 21 1HG PRO 21 -3.378 10.644 -7.194
151 1HD PRO 21 2HD PRO 21 -2.463 7.811 -6.857
152 2HD PRO 21 1HD PRO 21 -1.526 9.317 -6.748
153 H LEU 22 H LEU 22 -5.266 10.432 -2.712
154 HA LEU 22 HA LEU 22 -5.425 8.239 -0.975
155 1HB LEU 22 2HB LEU 22 -7.526 10.389 -1.360
156 2HB LEU 22 1HB LEU 22 -7.296 9.406 0.086
157 HG LEU 22 HG LEU 22 -5.257 11.328 -1.075
158 1HD1 LEU 22 1HD1 LEU 22 -5.707 12.533 1.111
159 2HD1 LEU 22 2HD1 LEU 22 -7.094 11.468 1.330
160 3HD1 LEU 22 3HD1 LEU 22 -7.040 12.576 -0.042
161 1HD2 LEU 22 1HD2 LEU 22 -3.961 9.713 -0.005
162 2HD2 LEU 22 2HD2 LEU 22 -5.227 9.325 1.161
163 3HD2 LEU 22 3HD2 LEU 22 -4.296 10.813 1.333
164 H TRP 23 H TRP 23 -7.848 9.193 -3.440
165 HA TRP 23 HA TRP 23 -9.637 7.031 -2.904
166 1HB TRP 23 2HB TRP 23 -10.684 7.590 -4.997
167 2HB TRP 23 1HB TRP 23 -10.143 9.100 -4.264
168 HD1 TRP 23 HD TRP 23 -8.358 10.493 -5.514
169 HE1 TRP 23 1HE TRP 23 -7.143 10.239 -7.774
170 HE3 TRP 23 3HE TRP 23 -9.701 5.713 -6.703
171 HZ2 TRP 23 2HZ TRP 23 -6.789 8.266 -9.816
172 HZ3 TRP 23 3HZ TRP 23 -8.913 4.672 -8.808
173 HH2 TRP 23 HH TRP 23 -7.460 5.941 -10.365
174 H ARG 24 H ARG 24 -6.832 7.269 -5.066
175 HA ARG 24 HA ARG 24 -7.267 4.758 -6.394
176 1HB ARG 24 2HB ARG 24 -5.742 6.525 -7.247
177 2HB ARG 24 1HB ARG 24 -4.647 6.199 -5.904
178 1HG ARG 24 2HG ARG 24 -4.359 3.887 -6.658
179 2HG ARG 24 1HG ARG 24 -5.511 4.153 -7.969
180 1HD ARG 24 2HD ARG 24 -3.834 4.901 -9.263
181 2HD ARG 24 1HD ARG 24 -3.572 6.226 -8.126
182 HE ARG 24 HE ARG 24 -2.257 4.119 -6.935
183 1HH1 ARG 24 1HH2 ARG 24 -2.301 5.526 -10.081
184 2HH1 ARG 24 2HH2 ARG 24 -0.636 5.177 -10.406
185 1HH2 ARG 24 1HH1 ARG 24 -0.080 3.656 -7.340
186 2HH2 ARG 24 2HH1 ARG 24 0.622 4.119 -8.855
187 H GLN 25 H GLN 25 -5.229 5.614 -3.571
188 HA GLN 25 HA GLN 25 -4.051 3.109 -3.137
189 1HB GLN 25 2HB GLN 25 -5.060 5.070 -1.059
190 2HB GLN 25 1HB GLN 25 -3.953 3.735 -0.733
191 1HG GLN 25 2HG GLN 25 -2.286 4.671 -2.235
192 2HG GLN 25 1HG GLN 25 -3.406 5.934 -2.751
193 1HE2 GLN 25 1HE2 GLN 25 -3.496 5.035 0.616
194 2HE2 GLN 25 2HE2 GLN 25 -2.691 6.405 1.213
195 H GLN 26 H GLN 26 -7.265 4.212 -1.988
196 HA GLN 26 HA GLN 26 -7.924 1.714 -0.714
197 1HB GLN 26 2HB GLN 26 -9.742 3.820 -1.929
198 2HB GLN 26 1HB GLN 26 -10.279 2.500 -0.889
199 1HG GLN 26 2HG GLN 26 -8.865 3.336 0.937
200 2HG GLN 26 1HG GLN 26 -8.278 4.637 -0.099
201 1HE2 GLN 26 1HE2 GLN 26 -9.641 5.235 2.335
202 2HE2 GLN 26 2HE2 GLN 26 -11.140 5.937 1.961
203 H ASN 27 H ASN 27 -8.172 2.922 -4.004
204 HA ASN 27 HA ASN 27 -9.819 0.830 -5.069
205 1HB ASN 27 2HB ASN 27 -9.185 3.054 -6.172
206 2HB ASN 27 1HB ASN 27 -7.644 2.299 -6.580
207 1HD2 ASN 27 1HD2 ASN 27 -9.801 -0.216 -6.583
208 2HD2 ASN 27 2HD2 ASN 27 -10.257 -0.200 -8.217
209 H LEU 28 H LEU 28 -6.259 1.245 -5.100
210 HA LEU 28 HA LEU 28 -5.764 -1.381 -6.199
211 1HB LEU 28 2HB LEU 28 -3.885 0.361 -4.577
212 2HB LEU 28 1HB LEU 28 -3.429 -0.945 -5.668
213 HG LEU 28 HG LEU 28 -4.806 1.640 -6.453
214 1HD1 LEU 28 1HD1 LEU 28 -2.674 2.004 -7.705
215 2HD1 LEU 28 2HD1 LEU 28 -2.023 0.544 -6.963
216 3HD1 LEU 28 3HD1 LEU 28 -2.431 1.935 -5.960
217 1HD2 LEU 28 1HD2 LEU 28 -5.641 0.068 -7.983
218 2HD2 LEU 28 2HD2 LEU 28 -4.170 -0.903 -7.933
219 3HD2 LEU 28 3HD2 LEU 28 -4.180 0.635 -8.795
220 H ARG 29 H ARG 29 -6.067 -0.124 -2.909
221 HA ARG 29 HA ARG 29 -4.993 -2.520 -1.669
222 1HB ARG 29 2HB ARG 29 -6.546 -0.151 -0.628
223 2HB ARG 29 1HB ARG 29 -6.101 -1.506 0.411
224 1HG ARG 29 2HG ARG 29 -3.726 -1.184 -0.179
225 2HG ARG 29 1HG ARG 29 -4.167 0.171 -1.218
226 1HD ARG 29 2HD ARG 29 -4.694 0.031 1.766
227 2HD ARG 29 1HD ARG 29 -3.381 0.932 1.012
228 HE ARG 29 HE ARG 29 -5.663 1.873 -0.259
229 1HH1 ARG 29 1HH2 ARG 29 -4.566 1.506 2.992
230 2HH1 ARG 29 2HH2 ARG 29 -5.449 2.875 3.583
231 1HH2 ARG 29 1HH1 ARG 29 -6.818 3.657 0.494
232 2HH2 ARG 29 2HH1 ARG 29 -6.724 4.093 2.167
233 H ARG 30 H ARG 30 -8.315 -1.332 -2.290
234 HA ARG 30 HA ARG 30 -9.618 -3.501 -0.943
235 1HB ARG 30 2HB ARG 30 -10.658 -1.309 -1.826
236 2HB ARG 30 1HB ARG 30 -10.746 -2.128 -3.387
237 1HG ARG 30 2HG ARG 30 -12.737 -2.924 -2.640
238 2HG ARG 30 1HG ARG 30 -11.761 -4.035 -1.679
239 1HD ARG 30 2HD ARG 30 -12.891 -1.367 -0.800
240 2HD ARG 30 1HD ARG 30 -13.310 -2.960 -0.176
241 HE ARG 30 HE ARG 30 -10.592 -2.783 0.288
242 1HH1 ARG 30 1HH2 ARG 30 -13.353 -0.823 0.944
243 2HH1 ARG 30 2HH2 ARG 30 -12.701 -0.163 2.406
244 1HH2 ARG 30 1HH1 ARG 30 -9.727 -1.934 2.191
245 2HH2 ARG 30 2HH1 ARG 30 -10.647 -0.791 3.112
246 H GLU 31 H GLU 31 -8.627 -3.076 -4.344
247 HA GLU 31 HA GLU 31 -9.599 -5.616 -5.262
248 1HB GLU 31 2HB GLU 31 -7.287 -3.915 -6.256
249 2HB GLU 31 1HB GLU 31 -7.964 -5.291 -7.127
250 1HG GLU 31 2HG GLU 31 -9.550 -2.845 -6.291
251 2HG GLU 31 1HG GLU 31 -8.884 -3.101 -7.904
252 H ARG 32 H ARG 32 -6.988 -4.750 -3.225
253 HA ARG 32 HA ARG 32 -5.415 -7.170 -3.829
254 1HB ARG 32 2HB ARG 32 -4.439 -4.873 -3.218
255 2HB ARG 32 1HB ARG 32 -4.933 -5.235 -1.564
256 1HG ARG 32 2HG ARG 32 -2.732 -6.046 -1.623
257 2HG ARG 32 1HG ARG 32 -3.685 -7.496 -1.944
258 1HD ARG 32 2HD ARG 32 -3.350 -6.387 -4.466
259 2HD ARG 32 1HD ARG 32 -1.797 -6.090 -3.685
260 HE ARG 32 HE ARG 32 -2.567 -8.592 -4.687
261 1HH1 ARG 32 1HH2 ARG 32 -1.593 -7.186 -1.693
262 2HH1 ARG 32 2HH2 ARG 32 -0.860 -8.637 -1.096
263 1HH2 ARG 32 1HH1 ARG 32 -1.617 -10.496 -3.925
264 2HH2 ARG 32 2HH1 ARG 32 -0.875 -10.511 -2.360
265 H GLY 33 H GLY 33 -7.845 -6.149 -1.545
266 1HA GLY 33 2HA GLY 33 -9.055 -7.702 -0.157
267 2HA GLY 33 1HA GLY 33 -7.720 -8.842 -0.318
268 H LEU 34 H LEU 34 -6.392 -5.855 0.311
269 HA LEU 34 HA LEU 34 -6.134 -6.549 3.201
270 1HB LEU 34 2HB LEU 34 -4.435 -4.587 1.646
271 2HB LEU 34 1HB LEU 34 -4.069 -5.344 3.196
272 HG LEU 34 HG LEU 34 -4.329 -6.792 0.544
273 1HD1 LEU 34 1HD1 LEU 34 -2.267 -5.356 0.896
274 2HD1 LEU 34 2HD1 LEU 34 -1.940 -7.072 0.654
275 3HD1 LEU 34 3HD1 LEU 34 -1.878 -6.383 2.276
276 1HD2 LEU 34 1HD2 LEU 34 -3.855 -7.697 3.385
277 2HD2 LEU 34 2HD2 LEU 34 -3.290 -8.658 2.018
278 3HD2 LEU 34 3HD2 LEU 34 -5.011 -8.326 2.211
279 H PHE 35 H PHE 35 -6.143 -4.716 4.744
280 HA PHE 35 HA PHE 35 -7.260 -2.867 5.667
281 1HB PHE 35 2HB PHE 35 -6.557 -1.886 2.894
282 2HB PHE 35 1HB PHE 35 -7.302 -0.844 4.106
283 HD1 PHE 35 1HD PHE 35 -4.305 -2.869 3.295
284 HD2 PHE 35 2HD PHE 35 -6.065 -0.046 6.011
285 HE1 PHE 35 1HE PHE 35 -2.087 -2.488 4.336
286 HE2 PHE 35 2HE PHE 35 -3.847 0.334 7.053
287 HZ PHE 35 HZ PHE 35 -1.858 -0.887 6.215
Start of MODEL 17
1 1H LEU 1 1HT LEU 1 2.512 -1.658 11.052
2 2H LEU 1 2HT LEU 1 1.357 -0.641 11.773
3 3H LEU 1 3HT LEU 1 1.782 -0.427 10.143
4 HA LEU 1 HA LEU 1 0.311 -2.721 11.317
5 1HB LEU 1 2HB LEU 1 -0.939 -0.570 10.875
6 2HB LEU 1 1HB LEU 1 -0.503 -0.737 9.175
7 HG LEU 1 HG LEU 1 -1.527 -3.104 9.344
8 1HD1 LEU 1 1HD1 LEU 1 -3.418 -3.066 11.109
9 2HD1 LEU 1 2HD1 LEU 1 -2.477 -1.800 11.895
10 3HD1 LEU 1 3HD1 LEU 1 -1.784 -3.407 11.677
11 1HD2 LEU 1 1HD2 LEU 1 -3.859 -2.130 9.086
12 2HD2 LEU 1 2HD2 LEU 1 -2.630 -1.390 8.060
13 3HD2 LEU 1 3HD2 LEU 1 -3.173 -0.565 9.522
14 H SER 2 H SER 2 1.174 -4.541 10.415
15 HA SER 2 HA SER 2 2.137 -5.955 8.796
16 1HB SER 2 2HB SER 2 -0.018 -4.445 7.322
17 2HB SER 2 1HB SER 2 0.944 -5.678 6.513
18 HG SER 2 HG SER 2 -1.146 -6.007 8.099
19 H ASP 3 H ASP 3 3.556 -3.443 9.250
20 HA ASP 3 HA ASP 3 4.311 -2.119 6.861
21 1HB ASP 3 2HB ASP 3 6.338 -1.463 8.047
22 2HB ASP 3 1HB ASP 3 4.980 -1.411 9.171
23 H GLU 4 H GLU 4 5.286 -5.226 8.190
24 HA GLU 4 HA GLU 4 7.435 -5.607 6.241
25 1HB GLU 4 2HB GLU 4 7.282 -6.694 8.564
26 2HB GLU 4 1HB GLU 4 6.070 -7.765 7.860
27 1HG GLU 4 2HG GLU 4 8.185 -8.893 7.670
28 2HG GLU 4 1HG GLU 4 7.759 -8.326 6.055
29 H ASP 5 H ASP 5 4.258 -7.170 6.780
30 HA ASP 5 HA ASP 5 4.235 -8.562 4.278
31 1HB ASP 5 2HB ASP 5 2.016 -7.669 6.136
32 2HB ASP 5 1HB ASP 5 1.717 -8.625 4.684
33 H PHE 6 H PHE 6 3.041 -5.369 5.254
34 HA PHE 6 HA PHE 6 1.677 -4.692 2.856
35 1HB PHE 6 2HB PHE 6 1.520 -3.333 4.897
36 2HB PHE 6 1HB PHE 6 3.223 -2.895 4.750
37 HD1 PHE 6 1HD PHE 6 -0.163 -2.300 3.521
38 HD2 PHE 6 2HD PHE 6 4.001 -1.487 2.851
39 HE1 PHE 6 1HE PHE 6 -0.772 -0.429 2.011
40 HE2 PHE 6 2HE PHE 6 3.392 0.384 1.340
41 HZ PHE 6 HZ PHE 6 1.006 0.913 0.921
42 H ARG 7 H ARG 7 5.001 -3.736 3.800
43 HA ARG 7 HA ARG 7 5.771 -2.564 1.379
44 1HB ARG 7 2HB ARG 7 7.113 -2.658 3.523
45 2HB ARG 7 1HB ARG 7 7.583 -4.300 3.080
46 1HG ARG 7 2HG ARG 7 8.541 -3.455 0.967
47 2HG ARG 7 1HG ARG 7 8.075 -1.813 1.413
48 1HD ARG 7 2HD ARG 7 9.461 -2.755 3.643
49 2HD ARG 7 1HD ARG 7 10.380 -3.376 2.275
50 HE ARG 7 HE ARG 7 10.478 -0.702 3.125
51 1HH1 ARG 7 1HH2 ARG 7 9.715 -2.492 0.280
52 2HH1 ARG 7 2HH2 ARG 7 10.239 -1.246 -0.803
53 1HH2 ARG 7 1HH1 ARG 7 11.165 0.932 1.730
54 2HH2 ARG 7 2HH1 ARG 7 11.060 0.693 0.017
55 H ALA 8 H ALA 8 5.700 -6.003 2.225
56 HA ALA 8 HA ALA 8 7.039 -6.942 -0.136
57 1HB ALA 8 1HB ALA 8 6.766 -8.382 1.811
58 2HB ALA 8 2HB ALA 8 5.960 -9.126 0.431
59 3HB ALA 8 3HB ALA 8 5.011 -8.299 1.666
60 H VAL 9 H VAL 9 3.710 -6.001 0.502
61 HA VAL 9 HA VAL 9 2.603 -7.280 -1.843
62 HB VAL 9 HB VAL 9 1.584 -5.022 -0.104
63 1HG1 VAL 9 1HG1 VAL 9 0.556 -4.786 -2.279
64 2HG1 VAL 9 2HG1 VAL 9 -0.621 -5.564 -1.218
65 3HG1 VAL 9 3HG1 VAL 9 0.280 -6.525 -2.391
66 1HG2 VAL 9 1HG2 VAL 9 0.285 -6.689 0.970
67 2HG2 VAL 9 2HG2 VAL 9 1.868 -7.442 0.773
68 3HG2 VAL 9 3HG2 VAL 9 0.552 -7.854 -0.327
69 1HN PF5 10 H PF5 10 3.474 -3.850 -1.189
70 HA PF5 10 HA PF5 10 3.240 -3.392 -4.126
71 1HB PF5 10 1HB PF5 10 2.910 -1.075 -3.621
72 2HB PF5 10 2HB PF5 10 3.459 -1.297 -1.955
73 H GLY 11 H GLY 11 5.574 -3.864 -1.723
74 1HA GLY 11 2HA GLY 11 7.922 -3.892 -1.995
75 2HA GLY 11 1HA GLY 11 7.702 -3.249 -3.623
76 H MET 12 H MET 12 6.138 -1.587 -1.018
77 HA MET 12 HA MET 12 8.366 0.315 -0.676
78 1HB MET 12 2HB MET 12 6.758 2.235 -1.262
79 2HB MET 12 1HB MET 12 7.411 1.311 -2.615
80 1HG MET 12 2HG MET 12 5.362 -0.066 -2.667
81 2HG MET 12 1HG MET 12 4.705 0.863 -1.319
82 1HE MET 12 1HE MET 12 5.151 0.416 -4.945
83 2HE MET 12 2HE MET 12 6.537 1.490 -4.773
84 3HE MET 12 3HE MET 12 5.134 2.015 -5.701
85 H THR 13 H THR 13 7.924 1.841 1.089
86 HA THR 13 HA THR 13 6.390 0.605 3.223
87 HB THR 13 HB THR 13 7.013 2.777 4.437
88 HG1 THR 13 1HG THR 13 8.913 3.269 2.524
89 1HG2 THR 13 1HG2 THR 13 8.328 0.689 4.601
90 2HG2 THR 13 2HG2 THR 13 9.367 2.114 4.640
91 3HG2 THR 13 3HG2 THR 13 9.236 1.158 3.164
92 H ARG 14 H ARG 14 4.575 1.627 4.337
93 HA ARG 14 HA ARG 14 2.485 2.502 2.657
94 1HB ARG 14 2HB ARG 14 2.892 3.042 5.613
95 2HB ARG 14 1HB ARG 14 1.373 3.274 4.749
96 1HG ARG 14 2HG ARG 14 1.577 0.819 4.037
97 2HG ARG 14 1HG ARG 14 2.846 0.682 5.255
98 1HD ARG 14 2HD ARG 14 0.802 0.032 6.346
99 2HD ARG 14 1HD ARG 14 1.189 1.643 6.930
100 HE ARG 14 HE ARG 14 -0.445 2.078 4.717
101 1HH1 ARG 14 1HH2 ARG 14 -0.619 0.237 7.635
102 2HH1 ARG 14 2HH2 ARG 14 -2.336 0.411 7.795
103 1HH2 ARG 14 1HH1 ARG 14 -2.684 2.303 4.911
104 2HH2 ARG 14 2HH1 ARG 14 -3.501 1.580 6.256
105 H SER 15 H SER 15 5.074 4.329 4.174
106 HA SER 15 HA SER 15 3.910 6.933 3.986
107 1HB SER 15 2HB SER 15 6.049 6.361 5.204
108 2HB SER 15 1HB SER 15 6.842 6.243 3.636
109 HG SER 15 HG SER 15 6.760 8.354 3.432
110 H ALA 16 H ALA 16 5.991 5.140 1.703
111 HA ALA 16 HA ALA 16 5.821 7.184 -0.344
112 1HB ALA 16 1HB ALA 16 6.761 4.325 -0.264
113 2HB ALA 16 2HB ALA 16 7.695 5.788 -0.575
114 3HB ALA 16 3HB ALA 16 6.598 5.163 -1.807
115 H PHE 17 H PHE 17 4.146 4.097 0.253
116 HA PHE 17 HA PHE 17 2.578 4.049 -2.115
117 1HB PHE 17 2HB PHE 17 2.798 2.216 -0.348
118 2HB PHE 17 1HB PHE 17 1.613 3.119 0.598
119 HD1 PHE 17 1HD PHE 17 2.144 1.719 -2.840
120 HD2 PHE 17 2HD PHE 17 -0.672 2.762 0.233
121 HE1 PHE 17 1HE PHE 17 0.311 0.726 -4.183
122 HE2 PHE 17 2HE PHE 17 -2.504 1.768 -1.110
123 HZ PHE 17 HZ PHE 17 -2.013 0.750 -3.317
124 H ALA 18 H ALA 18 2.077 5.706 0.979
125 HA ALA 18 HA ALA 18 -0.583 6.599 0.554
126 1HB ALA 18 1HB ALA 18 1.669 8.095 1.936
127 2HB ALA 18 2HB ALA 18 0.666 6.859 2.696
128 3HB ALA 18 3HB ALA 18 -0.058 8.376 2.159
129 H ASN 19 H ASN 19 2.326 7.431 -1.062
130 HA ASN 19 HA ASN 19 1.813 10.108 -1.853
131 1HB ASN 19 2HB ASN 19 3.944 8.821 -2.242
132 2HB ASN 19 1HB ASN 19 3.123 7.963 -3.546
133 1HD2 ASN 19 1HD2 ASN 19 3.927 11.310 -2.484
134 2HD2 ASN 19 2HD2 ASN 19 4.028 11.942 -4.056
135 H LEU 20 H LEU 20 0.623 7.043 -3.188
136 HA LEU 20 HA LEU 20 -0.548 8.078 -5.576
137 1HB LEU 20 2HB LEU 20 -1.588 5.798 -3.868
138 2HB LEU 20 1HB LEU 20 -1.892 6.050 -5.587
139 HG LEU 20 HG LEU 20 0.819 5.532 -4.328
140 1HD1 LEU 20 1HD1 LEU 20 -0.369 3.479 -4.338
141 2HD1 LEU 20 2HD1 LEU 20 0.588 3.441 -5.819
142 3HD1 LEU 20 3HD1 LEU 20 -1.130 3.833 -5.889
143 1HD2 LEU 20 1HD2 LEU 20 1.318 5.208 -6.890
144 2HD2 LEU 20 2HD2 LEU 20 1.297 6.836 -6.214
145 3HD2 LEU 20 3HD2 LEU 20 -0.100 6.234 -7.105
146 HA PRO 21 HA PRO 21 -4.007 10.592 -4.488
147 1HB PRO 21 2HB PRO 21 -5.586 8.539 -6.027
148 2HB PRO 21 1HB PRO 21 -5.698 10.312 -6.084
149 1HG PRO 21 2HG PRO 21 -4.395 9.026 -7.974
150 2HG PRO 21 1HG PRO 21 -3.731 10.525 -7.296
151 1HD PRO 21 2HD PRO 21 -2.833 7.707 -6.854
152 2HD PRO 21 1HD PRO 21 -1.880 9.207 -6.858
153 H LEU 22 H LEU 22 -5.553 10.656 -2.856
154 HA LEU 22 HA LEU 22 -5.571 8.638 -0.873
155 1HB LEU 22 2HB LEU 22 -6.181 11.031 -0.512
156 2HB LEU 22 1HB LEU 22 -7.703 10.739 -1.353
157 HG LEU 22 HG LEU 22 -8.202 8.932 0.327
158 1HD1 LEU 22 1HD1 LEU 22 -6.179 8.276 1.271
159 2HD1 LEU 22 2HD1 LEU 22 -6.783 9.368 2.516
160 3HD1 LEU 22 3HD1 LEU 22 -5.570 9.928 1.365
161 1HD2 LEU 22 1HD2 LEU 22 -7.749 11.778 1.264
162 2HD2 LEU 22 2HD2 LEU 22 -8.624 10.580 2.219
163 3HD2 LEU 22 3HD2 LEU 22 -9.245 11.077 0.645
164 H TRP 23 H TRP 23 -7.863 9.218 -3.530
165 HA TRP 23 HA TRP 23 -9.678 7.127 -2.606
166 1HB TRP 23 2HB TRP 23 -10.932 7.592 -4.623
167 2HB TRP 23 1HB TRP 23 -10.405 9.130 -3.938
168 HD1 TRP 23 HD TRP 23 -8.830 10.613 -5.348
169 HE1 TRP 23 1HE TRP 23 -7.789 10.406 -7.697
170 HE3 TRP 23 3HE TRP 23 -9.965 5.745 -6.387
171 HZ2 TRP 23 2HZ TRP 23 -7.478 8.434 -9.747
172 HZ3 TRP 23 3HZ TRP 23 -9.286 4.728 -8.542
173 HH2 TRP 23 HH TRP 23 -8.045 6.064 -10.221
174 H ARG 24 H ARG 24 -7.004 7.333 -4.893
175 HA ARG 24 HA ARG 24 -7.566 4.843 -6.239
176 1HB ARG 24 2HB ARG 24 -6.090 6.621 -7.171
177 2HB ARG 24 1HB ARG 24 -4.902 6.253 -5.919
178 1HG ARG 24 2HG ARG 24 -4.707 3.954 -6.736
179 2HG ARG 24 1HG ARG 24 -5.946 4.261 -7.953
180 1HD ARG 24 2HD ARG 24 -4.312 4.934 -9.343
181 2HD ARG 24 1HD ARG 24 -4.056 6.319 -8.278
182 HE ARG 24 HE ARG 24 -2.611 4.317 -7.054
183 1HH1 ARG 24 1HH2 ARG 24 -2.838 5.589 -10.249
184 2HH1 ARG 24 2HH2 ARG 24 -1.174 5.294 -10.629
185 1HH2 ARG 24 1HH1 ARG 24 -0.434 3.925 -7.530
186 2HH2 ARG 24 2HH1 ARG 24 0.187 4.352 -9.089
187 H GLN 25 H GLN 25 -5.271 5.662 -3.601
188 HA GLN 25 HA GLN 25 -4.080 3.167 -3.261
189 1HB GLN 25 2HB GLN 25 -3.932 3.756 -0.809
190 2HB GLN 25 1HB GLN 25 -3.357 5.013 -1.905
191 1HG GLN 25 2HG GLN 25 -5.579 6.128 -1.761
192 2HG GLN 25 1HG GLN 25 -6.095 4.905 -0.598
193 1HE2 GLN 25 1HE2 GLN 25 -5.405 5.130 1.576
194 2HE2 GLN 25 2HE2 GLN 25 -4.416 6.398 2.118
195 H GLN 26 H GLN 26 -7.290 4.187 -2.077
196 HA GLN 26 HA GLN 26 -7.837 1.713 -0.694
197 1HB GLN 26 2HB GLN 26 -9.694 3.780 -1.907
198 2HB GLN 26 1HB GLN 26 -10.245 2.416 -0.935
199 1HG GLN 26 2HG GLN 26 -8.873 3.197 0.956
200 2HG GLN 26 1HG GLN 26 -8.304 4.556 -0.014
201 1HE2 GLN 26 1HE2 GLN 26 -9.720 5.019 2.416
202 2HE2 GLN 26 2HE2 GLN 26 -11.233 5.696 2.045
203 H ASN 27 H ASN 27 -8.333 2.853 -4.001
204 HA ASN 27 HA ASN 27 -9.874 0.656 -4.965
205 1HB ASN 27 2HB ASN 27 -9.448 2.831 -6.175
206 2HB ASN 27 1HB ASN 27 -7.819 2.251 -6.525
207 1HD2 ASN 27 1HD2 ASN 27 -9.602 -0.519 -6.512
208 2HD2 ASN 27 2HD2 ASN 27 -10.040 -0.597 -8.150
209 H LEU 28 H LEU 28 -6.337 1.207 -5.092
210 HA LEU 28 HA LEU 28 -5.753 -1.394 -6.191
211 1HB LEU 28 2HB LEU 28 -3.920 0.395 -4.570
212 2HB LEU 28 1HB LEU 28 -3.434 -0.874 -5.693
213 HG LEU 28 HG LEU 28 -4.892 1.691 -6.395
214 1HD1 LEU 28 1HD1 LEU 28 -2.448 1.891 -5.932
215 2HD1 LEU 28 2HD1 LEU 28 -2.839 2.211 -7.622
216 3HD1 LEU 28 3HD1 LEU 28 -2.142 0.660 -7.158
217 1HD2 LEU 28 1HD2 LEU 28 -5.756 0.125 -7.919
218 2HD2 LEU 28 2HD2 LEU 28 -4.262 -0.811 -7.951
219 3HD2 LEU 28 3HD2 LEU 28 -4.345 0.746 -8.776
220 H ARG 29 H ARG 29 -6.081 -0.168 -2.893
221 HA ARG 29 HA ARG 29 -4.885 -2.511 -1.669
222 1HB ARG 29 2HB ARG 29 -6.517 -0.200 -0.633
223 2HB ARG 29 1HB ARG 29 -6.082 -1.553 0.413
224 1HG ARG 29 2HG ARG 29 -3.697 -1.201 -0.109
225 2HG ARG 29 1HG ARG 29 -4.124 0.146 -1.164
226 1HD ARG 29 2HD ARG 29 -4.732 0.008 1.804
227 2HD ARG 29 1HD ARG 29 -3.409 0.921 1.085
228 HE ARG 29 HE ARG 29 -5.665 1.833 -0.251
229 1HH1 ARG 29 1HH2 ARG 29 -4.650 1.492 3.029
230 2HH1 ARG 29 2HH2 ARG 29 -5.562 2.853 3.589
231 1HH2 ARG 29 1HH1 ARG 29 -6.857 3.609 0.463
232 2HH2 ARG 29 2HH1 ARG 29 -6.812 4.052 2.136
233 H ARG 30 H ARG 30 -8.289 -1.458 -2.134
234 HA ARG 30 HA ARG 30 -9.393 -3.807 -0.892
235 1HB ARG 30 2HB ARG 30 -10.397 -1.465 -2.211
236 2HB ARG 30 1HB ARG 30 -11.184 -2.884 -2.905
237 1HG ARG 30 2HG ARG 30 -11.907 -3.637 -0.730
238 2HG ARG 30 1HG ARG 30 -10.934 -2.406 0.075
239 1HD ARG 30 2HD ARG 30 -13.055 -1.609 -1.907
240 2HD ARG 30 1HD ARG 30 -13.483 -1.962 -0.235
241 HE ARG 30 HE ARG 30 -11.366 -0.185 -0.019
242 1HH1 ARG 30 1HH2 ARG 30 -14.400 -0.279 -1.656
243 2HH1 ARG 30 2HH2 ARG 30 -14.644 1.434 -1.579
244 1HH2 ARG 30 1HH1 ARG 30 -11.667 2.049 0.089
245 2HH2 ARG 30 2HH1 ARG 30 -13.096 2.752 -0.590
246 H GLU 31 H GLU 31 -8.324 -3.072 -4.172
247 HA GLU 31 HA GLU 31 -9.432 -5.316 -5.524
248 1HB GLU 31 2HB GLU 31 -8.200 -3.381 -6.593
249 2HB GLU 31 1HB GLU 31 -6.695 -4.101 -6.023
250 1HG GLU 31 2HG GLU 31 -7.032 -4.830 -8.298
251 2HG GLU 31 1HG GLU 31 -7.343 -6.212 -7.247
252 H ARG 32 H ARG 32 -6.808 -5.049 -3.249
253 HA ARG 32 HA ARG 32 -6.040 -7.882 -3.789
254 1HB ARG 32 2HB ARG 32 -4.538 -5.754 -2.241
255 2HB ARG 32 1HB ARG 32 -3.948 -7.369 -2.634
256 1HG ARG 32 2HG ARG 32 -4.354 -6.748 -5.089
257 2HG ARG 32 1HG ARG 32 -4.523 -5.084 -4.525
258 1HD ARG 32 2HD ARG 32 -2.227 -5.311 -5.120
259 2HD ARG 32 1HD ARG 32 -2.263 -5.409 -3.360
260 HE ARG 32 HE ARG 32 -2.462 -8.048 -4.147
261 1HH1 ARG 32 1HH2 ARG 32 -0.377 -5.402 -4.878
262 2HH1 ARG 32 2HH2 ARG 32 1.013 -6.399 -5.149
263 1HH2 ARG 32 1HH1 ARG 32 -0.659 -9.366 -4.497
264 2HH2 ARG 32 2HH1 ARG 32 0.853 -8.643 -4.932
265 H GLY 33 H GLY 33 -7.790 -5.963 -1.593
266 1HA GLY 33 2HA GLY 33 -8.912 -6.656 0.371
267 2HA GLY 33 1HA GLY 33 -8.171 -8.245 0.177
268 H LEU 34 H LEU 34 -5.827 -5.818 0.017
269 HA LEU 34 HA LEU 34 -5.129 -6.303 2.885
270 1HB LEU 34 2HB LEU 34 -3.231 -5.498 0.668
271 2HB LEU 34 1HB LEU 34 -2.814 -6.078 2.281
272 HG LEU 34 HG LEU 34 -4.200 -7.671 0.104
273 1HD1 LEU 34 1HD1 LEU 34 -1.512 -8.110 1.432
274 2HD1 LEU 34 2HD1 LEU 34 -1.710 -7.272 -0.107
275 3HD1 LEU 34 3HD1 LEU 34 -2.168 -8.969 0.039
276 1HD2 LEU 34 1HD2 LEU 34 -3.635 -8.211 3.016
277 2HD2 LEU 34 2HD2 LEU 34 -3.733 -9.541 1.863
278 3HD2 LEU 34 3HD2 LEU 34 -5.124 -8.485 2.113
279 H PHE 35 H PHE 35 -4.707 -4.524 4.186
280 HA PHE 35 HA PHE 35 -4.175 -1.883 3.146
281 1HB PHE 35 2HB PHE 35 -6.276 -0.807 3.624
282 2HB PHE 35 1HB PHE 35 -6.628 -2.190 2.588
283 HD1 PHE 35 1HD PHE 35 -6.994 -0.745 5.929
284 HD2 PHE 35 2HD PHE 35 -7.601 -4.263 3.539
285 HE1 PHE 35 1HE PHE 35 -8.506 -1.666 7.666
286 HE2 PHE 35 2HE PHE 35 -9.113 -5.183 5.276
287 HZ PHE 35 HZ PHE 35 -9.564 -3.885 7.340
Start of MODEL 18
1 1H LEU 1 1HT LEU 1 0.748 -0.568 11.666
2 2H LEU 1 2HT LEU 1 1.916 -1.788 11.859
3 3H LEU 1 3HT LEU 1 0.498 -1.810 12.795
4 HA LEU 1 HA LEU 1 -0.708 -2.786 11.209
5 1HB LEU 1 2HB LEU 1 -0.529 -0.592 9.921
6 2HB LEU 1 1HB LEU 1 0.845 -1.303 9.076
7 HG LEU 1 HG LEU 1 -0.824 -3.314 8.693
8 1HD1 LEU 1 1HD1 LEU 1 -2.630 -2.413 10.080
9 2HD1 LEU 1 2HD1 LEU 1 -3.150 -2.471 8.395
10 3HD1 LEU 1 3HD1 LEU 1 -2.662 -0.936 9.115
11 1HD2 LEU 1 1HD2 LEU 1 -1.582 -2.176 6.584
12 2HD2 LEU 1 2HD2 LEU 1 0.149 -2.021 6.879
13 3HD2 LEU 1 3HD2 LEU 1 -0.928 -0.666 7.215
14 H SER 2 H SER 2 1.180 -2.936 8.516
15 HA SER 2 HA SER 2 2.914 -5.125 9.533
16 1HB SER 2 2HB SER 2 2.089 -6.738 8.021
17 2HB SER 2 1HB SER 2 0.630 -5.964 8.630
18 HG SER 2 HG SER 2 1.994 -5.127 6.288
19 H ASP 3 H ASP 3 4.320 -3.094 9.033
20 HA ASP 3 HA ASP 3 4.786 -2.230 6.368
21 1HB ASP 3 2HB ASP 3 6.950 -1.439 7.174
22 2HB ASP 3 1HB ASP 3 5.731 -1.134 8.411
23 H GLU 4 H GLU 4 5.914 -5.060 8.135
24 HA GLU 4 HA GLU 4 7.906 -5.884 6.227
25 1HB GLU 4 2HB GLU 4 7.583 -6.763 8.610
26 2HB GLU 4 1HB GLU 4 6.257 -7.731 7.967
27 1HG GLU 4 2HG GLU 4 7.829 -8.724 6.306
28 2HG GLU 4 1HG GLU 4 9.148 -7.825 7.058
29 H ASP 5 H ASP 5 4.501 -6.863 6.701
30 HA ASP 5 HA ASP 5 4.473 -8.457 4.266
31 1HB ASP 5 2HB ASP 5 2.133 -7.379 5.869
32 2HB ASP 5 1HB ASP 5 2.087 -8.705 4.706
33 H PHE 6 H PHE 6 3.055 -5.315 5.206
34 HA PHE 6 HA PHE 6 1.866 -4.634 2.750
35 1HB PHE 6 2HB PHE 6 1.588 -3.279 4.779
36 2HB PHE 6 1HB PHE 6 3.288 -2.812 4.716
37 HD1 PHE 6 1HD PHE 6 -0.044 -2.270 3.328
38 HD2 PHE 6 2HD PHE 6 4.134 -1.389 2.856
39 HE1 PHE 6 1HE PHE 6 -0.611 -0.406 1.794
40 HE2 PHE 6 2HE PHE 6 3.566 0.476 1.321
41 HZ PHE 6 HZ PHE 6 1.194 0.968 0.791
42 H ARG 7 H ARG 7 5.132 -3.627 3.840
43 HA ARG 7 HA ARG 7 5.988 -2.430 1.463
44 1HB ARG 7 2HB ARG 7 7.262 -2.468 3.616
45 2HB ARG 7 1HB ARG 7 7.706 -4.143 3.286
46 1HG ARG 7 2HG ARG 7 8.773 -3.429 1.167
47 2HG ARG 7 1HG ARG 7 8.361 -1.754 1.535
48 1HD ARG 7 2HD ARG 7 10.101 -3.543 3.258
49 2HD ARG 7 1HD ARG 7 10.694 -2.280 2.183
50 HE ARG 7 HE ARG 7 8.881 -0.968 3.826
51 1HH1 ARG 7 1HH2 ARG 7 11.639 -2.993 4.252
52 2HH1 ARG 7 2HH2 ARG 7 12.110 -2.259 5.748
53 1HH2 ARG 7 1HH1 ARG 7 9.480 -0.001 5.774
54 2HH2 ARG 7 2HH1 ARG 7 10.888 -0.565 6.610
55 H ALA 8 H ALA 8 5.907 -5.875 2.275
56 HA ALA 8 HA ALA 8 7.342 -6.753 -0.067
57 1HB ALA 8 1HB ALA 8 7.014 -8.139 1.984
58 2HB ALA 8 2HB ALA 8 6.515 -8.977 0.514
59 3HB ALA 8 3HB ALA 8 5.302 -8.274 1.584
60 H VAL 9 H VAL 9 3.970 -5.965 0.558
61 HA VAL 9 HA VAL 9 2.919 -7.285 -1.784
62 HB VAL 9 HB VAL 9 1.817 -5.030 -0.092
63 1HG1 VAL 9 1HG1 VAL 9 -0.369 -5.767 -1.194
64 2HG1 VAL 9 2HG1 VAL 9 0.627 -6.605 -2.385
65 3HG1 VAL 9 3HG1 VAL 9 0.739 -4.853 -2.217
66 1HG2 VAL 9 1HG2 VAL 9 0.925 -7.915 -0.240
67 2HG2 VAL 9 2HG2 VAL 9 0.563 -6.725 1.011
68 3HG2 VAL 9 3HG2 VAL 9 2.189 -7.393 0.873
69 1HN PF5 10 H PF5 10 3.633 -3.810 -1.164
70 HA PF5 10 HA PF5 10 3.382 -3.379 -4.098
71 1HB PF5 10 1HB PF5 10 3.134 -1.034 -3.575
72 2HB PF5 10 2HB PF5 10 3.634 -1.308 -1.901
73 H GLY 11 H GLY 11 5.774 -3.784 -1.713
74 1HA GLY 11 2HA GLY 11 8.117 -3.837 -2.049
75 2HA GLY 11 1HA GLY 11 7.858 -3.230 -3.685
76 H MET 12 H MET 12 6.443 -1.574 -0.956
77 HA MET 12 HA MET 12 8.645 0.349 -0.733
78 1HB MET 12 2HB MET 12 7.431 2.271 -1.559
79 2HB MET 12 1HB MET 12 7.406 1.038 -2.821
80 1HG MET 12 2HG MET 12 5.166 0.343 -1.485
81 2HG MET 12 1HG MET 12 5.182 2.073 -1.140
82 1HE MET 12 1HE MET 12 4.982 3.839 -4.443
83 2HE MET 12 2HE MET 12 6.481 3.450 -3.605
84 3HE MET 12 3HE MET 12 5.053 3.896 -2.676
85 H THR 13 H THR 13 8.224 1.919 0.994
86 HA THR 13 HA THR 13 6.689 0.761 3.164
87 HB THR 13 HB THR 13 7.320 2.923 4.337
88 HG1 THR 13 1HG THR 13 8.029 4.475 3.144
89 1HG2 THR 13 1HG2 THR 13 9.671 2.335 4.504
90 2HG2 THR 13 2HG2 THR 13 9.599 1.473 2.967
91 3HG2 THR 13 3HG2 THR 13 8.725 0.852 4.367
92 H ARG 14 H ARG 14 4.840 1.748 4.212
93 HA ARG 14 HA ARG 14 2.766 2.594 2.502
94 1HB ARG 14 2HB ARG 14 3.151 3.125 5.462
95 2HB ARG 14 1HB ARG 14 1.644 3.414 4.592
96 1HG ARG 14 2HG ARG 14 1.646 1.004 3.899
97 2HG ARG 14 1HG ARG 14 3.056 0.751 4.928
98 1HD ARG 14 2HD ARG 14 0.345 1.745 5.868
99 2HD ARG 14 1HD ARG 14 0.997 0.133 6.133
100 HE ARG 14 HE ARG 14 2.932 1.831 7.183
101 1HH1 ARG 14 1HH2 ARG 14 -0.478 1.409 7.561
102 2HH1 ARG 14 2HH2 ARG 14 -0.483 1.882 9.228
103 1HH2 ARG 14 1HH1 ARG 14 2.934 2.457 9.354
104 2HH2 ARG 14 2HH1 ARG 14 1.447 2.473 10.240
105 H SER 15 H SER 15 5.318 4.461 4.032
106 HA SER 15 HA SER 15 4.151 7.054 3.802
107 1HB SER 15 2HB SER 15 6.294 6.510 5.021
108 2HB SER 15 1HB SER 15 7.083 6.369 3.453
109 HG SER 15 HG SER 15 6.255 8.555 3.070
110 H ALA 16 H ALA 16 6.170 5.195 1.524
111 HA ALA 16 HA ALA 16 6.016 7.217 -0.551
112 1HB ALA 16 1HB ALA 16 6.836 5.292 -2.012
113 2HB ALA 16 2HB ALA 16 6.811 4.296 -0.556
114 3HB ALA 16 3HB ALA 16 7.870 5.704 -0.645
115 H PHE 17 H PHE 17 4.308 4.161 0.106
116 HA PHE 17 HA PHE 17 2.698 4.128 -2.240
117 1HB PHE 17 2HB PHE 17 2.945 2.293 -0.467
118 2HB PHE 17 1HB PHE 17 1.763 3.196 0.482
119 HD1 PHE 17 1HD PHE 17 2.280 1.808 -2.964
120 HD2 PHE 17 2HD PHE 17 -0.521 2.819 0.133
121 HE1 PHE 17 1HE PHE 17 0.443 0.809 -4.298
122 HE2 PHE 17 2HE PHE 17 -2.357 1.821 -1.203
123 HZ PHE 17 HZ PHE 17 -1.874 0.817 -3.418
124 H ALA 18 H ALA 18 2.313 5.819 0.843
125 HA ALA 18 HA ALA 18 -0.364 6.715 0.499
126 1HB ALA 18 1HB ALA 18 1.897 8.273 1.787
127 2HB ALA 18 2HB ALA 18 1.029 6.965 2.588
128 3HB ALA 18 3HB ALA 18 0.173 8.434 2.120
129 H ASN 19 H ASN 19 2.507 7.531 -1.195
130 HA ASN 19 HA ASN 19 1.980 10.206 -1.982
131 1HB ASN 19 2HB ASN 19 3.311 7.978 -3.554
132 2HB ASN 19 1HB ASN 19 3.412 9.695 -3.944
133 1HD2 ASN 19 1HD2 ASN 19 5.760 8.177 -3.305
134 2HD2 ASN 19 2HD2 ASN 19 6.374 8.741 -1.827
135 H LEU 20 H LEU 20 0.728 7.144 -3.252
136 HA LEU 20 HA LEU 20 -0.497 8.190 -5.618
137 1HB LEU 20 2HB LEU 20 -1.436 5.873 -3.900
138 2HB LEU 20 1HB LEU 20 -1.843 6.150 -5.594
139 HG LEU 20 HG LEU 20 0.959 5.692 -4.526
140 1HD1 LEU 20 1HD1 LEU 20 -1.067 3.905 -5.873
141 2HD1 LEU 20 2HD1 LEU 20 -0.156 3.605 -4.394
142 3HD1 LEU 20 3HD1 LEU 20 0.660 3.563 -5.957
143 1HD2 LEU 20 1HD2 LEU 20 -0.203 6.310 -7.230
144 2HD2 LEU 20 2HD2 LEU 20 1.247 5.313 -7.118
145 3HD2 LEU 20 3HD2 LEU 20 1.254 6.954 -6.473
146 HA PRO 21 HA PRO 21 -3.953 10.651 -4.399
147 1HB PRO 21 2HB PRO 21 -5.548 8.610 -5.937
148 2HB PRO 21 1HB PRO 21 -5.676 10.382 -5.962
149 1HG PRO 21 2HG PRO 21 -4.406 9.138 -7.902
150 2HG PRO 21 1HG PRO 21 -3.741 10.632 -7.216
151 1HD PRO 21 2HD PRO 21 -2.807 7.816 -6.838
152 2HD PRO 21 1HD PRO 21 -1.867 9.325 -6.844
153 H LEU 22 H LEU 22 -5.377 10.672 -2.678
154 HA LEU 22 HA LEU 22 -5.350 8.606 -0.760
155 1HB LEU 22 2HB LEU 22 -5.950 10.976 -0.304
156 2HB LEU 22 1HB LEU 22 -7.489 10.723 -1.127
157 HG LEU 22 HG LEU 22 -6.890 8.707 0.935
158 1HD1 LEU 22 1HD1 LEU 22 -5.928 10.561 2.133
159 2HD1 LEU 22 2HD1 LEU 22 -7.553 10.322 2.776
160 3HD1 LEU 22 3HD1 LEU 22 -7.238 11.633 1.638
161 1HD2 LEU 22 1HD2 LEU 22 -9.222 8.944 1.371
162 2HD2 LEU 22 2HD2 LEU 22 -9.060 9.139 -0.375
163 3HD2 LEU 22 3HD2 LEU 22 -9.269 10.555 0.655
164 H TRP 23 H TRP 23 -7.720 9.232 -3.334
165 HA TRP 23 HA TRP 23 -9.523 7.144 -2.392
166 1HB TRP 23 2HB TRP 23 -10.811 7.625 -4.385
167 2HB TRP 23 1HB TRP 23 -10.265 9.155 -3.698
168 HD1 TRP 23 HD TRP 23 -8.703 10.640 -5.122
169 HE1 TRP 23 1HE TRP 23 -7.705 10.445 -7.491
170 HE3 TRP 23 3HE TRP 23 -9.893 5.789 -6.183
171 HZ2 TRP 23 2HZ TRP 23 -7.447 8.489 -9.563
172 HZ3 TRP 23 3HZ TRP 23 -9.260 4.786 -8.360
173 HH2 TRP 23 HH TRP 23 -8.040 6.129 -10.049
174 H ARG 24 H ARG 24 -6.883 7.335 -4.715
175 HA ARG 24 HA ARG 24 -7.492 4.872 -6.085
176 1HB ARG 24 2HB ARG 24 -5.989 6.636 -6.999
177 2HB ARG 24 1HB ARG 24 -4.802 6.227 -5.759
178 1HG ARG 24 2HG ARG 24 -4.643 3.943 -6.614
179 2HG ARG 24 1HG ARG 24 -5.899 4.278 -7.807
180 1HD ARG 24 2HD ARG 24 -4.284 4.953 -9.219
181 2HD ARG 24 1HD ARG 24 -3.985 6.316 -8.138
182 HE ARG 24 HE ARG 24 -2.548 4.276 -6.972
183 1HH1 ARG 24 1HH2 ARG 24 -2.819 5.590 -10.146
184 2HH1 ARG 24 2HH2 ARG 24 -1.169 5.270 -10.564
185 1HH2 ARG 24 1HH1 ARG 24 -0.390 3.853 -7.498
186 2HH2 ARG 24 2HH1 ARG 24 0.207 4.288 -9.064
187 H GLN 25 H GLN 25 -5.221 5.618 -3.411
188 HA GLN 25 HA GLN 25 -4.034 3.111 -3.124
189 1HB GLN 25 2HB GLN 25 -3.998 3.655 -0.617
190 2HB GLN 25 1HB GLN 25 -3.264 4.842 -1.697
191 1HG GLN 25 2HG GLN 25 -5.292 6.204 -1.652
192 2HG GLN 25 1HG GLN 25 -6.115 4.992 -0.668
193 1HE2 GLN 25 1HE2 GLN 25 -3.555 7.451 -0.617
194 2HE2 GLN 25 2HE2 GLN 25 -3.416 7.521 1.073
195 H GLN 26 H GLN 26 -7.244 4.118 -1.920
196 HA GLN 26 HA GLN 26 -7.808 1.616 -0.600
197 1HB GLN 26 2HB GLN 26 -9.673 3.693 -1.790
198 2HB GLN 26 1HB GLN 26 -10.203 2.333 -0.800
199 1HG GLN 26 2HG GLN 26 -8.808 3.133 1.066
200 2HG GLN 26 1HG GLN 26 -8.260 4.488 0.080
201 1HE2 GLN 26 1HE2 GLN 26 -9.627 4.994 2.513
202 2HE2 GLN 26 2HE2 GLN 26 -11.154 5.646 2.164
203 H ASN 27 H ASN 27 -8.260 2.822 -3.886
204 HA ASN 27 HA ASN 27 -9.806 0.646 -4.904
205 1HB ASN 27 2HB ASN 27 -9.377 2.846 -6.068
206 2HB ASN 27 1HB ASN 27 -7.744 2.280 -6.417
207 1HD2 ASN 27 1HD2 ASN 27 -11.187 1.322 -6.893
208 2HD2 ASN 27 2HD2 ASN 27 -10.911 0.510 -8.359
209 H LEU 28 H LEU 28 -6.269 1.205 -5.002
210 HA LEU 28 HA LEU 28 -5.689 -1.398 -6.114
211 1HB LEU 28 2HB LEU 28 -3.847 0.414 -4.530
212 2HB LEU 28 1HB LEU 28 -3.365 -0.867 -5.641
213 HG LEU 28 HG LEU 28 -4.859 1.669 -6.373
214 1HD1 LEU 28 1HD1 LEU 28 -2.776 2.114 -7.682
215 2HD1 LEU 28 2HD1 LEU 28 -2.054 0.674 -6.965
216 3HD1 LEU 28 3HD1 LEU 28 -2.483 2.047 -5.944
217 1HD2 LEU 28 1HD2 LEU 28 -4.162 -0.837 -7.893
218 2HD2 LEU 28 2HD2 LEU 28 -4.274 0.708 -8.738
219 3HD2 LEU 28 3HD2 LEU 28 -5.677 0.065 -7.883
220 H ARG 29 H ARG 29 -5.978 -0.149 -2.821
221 HA ARG 29 HA ARG 29 -4.818 -2.543 -1.628
222 1HB ARG 29 2HB ARG 29 -6.300 -0.165 -0.502
223 2HB ARG 29 1HB ARG 29 -5.782 -1.517 0.508
224 1HG ARG 29 2HG ARG 29 -3.454 -1.184 -0.200
225 2HG ARG 29 1HG ARG 29 -3.951 0.134 -1.260
226 1HD ARG 29 2HD ARG 29 -4.272 0.082 1.756
227 2HD ARG 29 1HD ARG 29 -3.067 1.011 0.867
228 HE ARG 29 HE ARG 29 -5.479 1.821 -0.234
229 1HH1 ARG 29 1HH2 ARG 29 -4.123 1.587 2.931
230 2HH1 ARG 29 2HH2 ARG 29 -5.018 2.932 3.555
231 1HH2 ARG 29 1HH1 ARG 29 -6.651 3.574 0.564
232 2HH2 ARG 29 2HH1 ARG 29 -6.450 4.057 2.215
233 H ARG 30 H ARG 30 -8.160 -1.299 -2.011
234 HA ARG 30 HA ARG 30 -9.416 -3.459 -0.626
235 1HB ARG 30 2HB ARG 30 -10.376 -1.630 -2.836
236 2HB ARG 30 1HB ARG 30 -11.416 -2.864 -2.122
237 1HG ARG 30 2HG ARG 30 -11.030 -1.880 0.118
238 2HG ARG 30 1HG ARG 30 -10.022 -0.631 -0.614
239 1HD ARG 30 2HD ARG 30 -12.961 -1.112 -1.190
240 2HD ARG 30 1HD ARG 30 -12.291 0.228 -0.261
241 HE ARG 30 HE ARG 30 -10.993 0.400 -2.705
242 1HH1 ARG 30 1HH2 ARG 30 -14.260 0.213 -1.616
243 2HH1 ARG 30 2HH2 ARG 30 -14.890 1.153 -2.927
244 1HH2 ARG 30 1HH1 ARG 30 -11.795 1.627 -4.421
245 2HH2 ARG 30 2HH1 ARG 30 -13.493 1.954 -4.515
246 H GLU 31 H GLU 31 -8.498 -3.072 -4.044
247 HA GLU 31 HA GLU 31 -9.577 -5.579 -4.940
248 1HB GLU 31 2HB GLU 31 -7.628 -3.576 -5.962
249 2HB GLU 31 1HB GLU 31 -7.486 -5.205 -6.622
250 1HG GLU 31 2HG GLU 31 -9.024 -3.729 -7.942
251 2HG GLU 31 1HG GLU 31 -9.812 -5.179 -7.320
252 H ARG 32 H ARG 32 -6.931 -4.810 -2.928
253 HA ARG 32 HA ARG 32 -5.431 -7.268 -3.578
254 1HB ARG 32 2HB ARG 32 -4.597 -4.819 -2.769
255 2HB ARG 32 1HB ARG 32 -4.670 -5.651 -1.215
256 1HG ARG 32 2HG ARG 32 -2.540 -6.262 -1.857
257 2HG ARG 32 1HG ARG 32 -3.449 -7.573 -2.610
258 1HD ARG 32 2HD ARG 32 -2.151 -5.195 -3.876
259 2HD ARG 32 1HD ARG 32 -2.212 -6.867 -4.432
260 HE ARG 32 HE ARG 32 -4.846 -6.017 -4.588
261 1HH1 ARG 32 1HH2 ARG 32 -1.785 -4.905 -5.718
262 2HH1 ARG 32 2HH2 ARG 32 -2.429 -4.181 -7.154
263 1HH2 ARG 32 1HH1 ARG 32 -5.704 -5.079 -6.457
264 2HH2 ARG 32 2HH1 ARG 32 -4.648 -4.280 -7.572
265 H GLY 33 H GLY 33 -7.899 -6.286 -1.384
266 1HA GLY 33 2HA GLY 33 -9.082 -7.816 0.039
267 2HA GLY 33 1HA GLY 33 -7.717 -8.928 -0.067
268 H LEU 34 H LEU 34 -6.307 -6.031 0.501
269 HA LEU 34 HA LEU 34 -5.957 -6.657 3.357
270 1HB LEU 34 2HB LEU 34 -4.772 -4.398 1.715
271 2HB LEU 34 1HB LEU 34 -4.244 -4.917 3.315
272 HG LEU 34 HG LEU 34 -4.210 -6.666 0.839
273 1HD1 LEU 34 1HD1 LEU 34 -2.576 -4.726 0.853
274 2HD1 LEU 34 2HD1 LEU 34 -1.827 -6.322 0.794
275 3HD1 LEU 34 3HD1 LEU 34 -1.872 -5.424 2.312
276 1HD2 LEU 34 1HD2 LEU 34 -3.477 -7.048 3.731
277 2HD2 LEU 34 2HD2 LEU 34 -2.604 -7.942 2.486
278 3HD2 LEU 34 3HD2 LEU 34 -4.349 -8.137 2.653
279 H PHE 35 H PHE 35 -8.031 -4.729 1.493
280 HA PHE 35 HA PHE 35 -9.086 -3.457 3.922
281 1HB PHE 35 2HB PHE 35 -7.757 -1.908 1.702
282 2HB PHE 35 1HB PHE 35 -9.021 -1.176 2.689
283 HD1 PHE 35 1HD PHE 35 -5.583 -2.467 2.642
284 HD2 PHE 35 2HD PHE 35 -8.694 -0.810 5.099
285 HE1 PHE 35 1HE PHE 35 -3.931 -2.028 4.440
286 HE2 PHE 35 2HE PHE 35 -7.042 -0.373 6.896
287 HZ PHE 35 HZ PHE 35 -4.661 -0.982 6.566
Start of MODEL 19
1 1H LEU 1 1HT LEU 1 0.719 0.292 9.940
2 2H LEU 1 2HT LEU 1 1.176 -0.930 11.027
3 3H LEU 1 3HT LEU 1 -0.355 -0.206 11.154
4 HA LEU 1 HA LEU 1 -1.048 -2.003 10.028
5 1HB LEU 1 2HB LEU 1 0.311 -0.636 7.695
6 2HB LEU 1 1HB LEU 1 -1.182 -1.576 7.676
7 HG LEU 1 HG LEU 1 -0.764 1.086 9.066
8 1HD1 LEU 1 1HD1 LEU 1 -2.651 0.397 6.804
9 2HD1 LEU 1 2HD1 LEU 1 -1.026 1.021 6.522
10 3HD1 LEU 1 3HD1 LEU 1 -2.207 1.997 7.396
11 1HD2 LEU 1 1HD2 LEU 1 -3.037 -0.900 9.037
12 2HD2 LEU 1 2HD2 LEU 1 -3.334 0.815 9.324
13 3HD2 LEU 1 3HD2 LEU 1 -2.298 -0.095 10.422
14 H SER 2 H SER 2 -0.398 -3.719 8.248
15 HA SER 2 HA SER 2 1.894 -5.126 9.225
16 1HB SER 2 2HB SER 2 0.790 -5.612 6.474
17 2HB SER 2 1HB SER 2 1.357 -6.780 7.665
18 HG SER 2 HG SER 2 -1.112 -5.953 7.239
19 H ASP 3 H ASP 3 3.396 -3.172 9.010
20 HA ASP 3 HA ASP 3 4.268 -2.215 6.473
21 1HB ASP 3 2HB ASP 3 6.283 -1.468 7.639
22 2HB ASP 3 1HB ASP 3 4.876 -1.173 8.661
23 H GLU 4 H GLU 4 5.064 -5.115 8.295
24 HA GLU 4 HA GLU 4 7.344 -5.878 6.690
25 1HB GLU 4 2HB GLU 4 6.712 -6.792 8.994
26 2HB GLU 4 1HB GLU 4 5.491 -7.761 8.167
27 1HG GLU 4 2HG GLU 4 7.282 -8.721 6.721
28 2HG GLU 4 1HG GLU 4 8.480 -7.823 7.654
29 H ASP 5 H ASP 5 3.952 -7.023 6.723
30 HA ASP 5 HA ASP 5 4.277 -8.533 4.269
31 1HB ASP 5 2HB ASP 5 1.726 -7.550 5.585
32 2HB ASP 5 1HB ASP 5 1.853 -8.835 4.385
33 H PHE 6 H PHE 6 2.834 -5.380 5.083
34 HA PHE 6 HA PHE 6 1.821 -4.659 2.567
35 1HB PHE 6 2HB PHE 6 1.525 -3.278 4.586
36 2HB PHE 6 1HB PHE 6 3.243 -2.882 4.575
37 HD1 PHE 6 1HD PHE 6 -0.009 -2.286 2.991
38 HD2 PHE 6 2HD PHE 6 4.201 -1.453 2.806
39 HE1 PHE 6 1HE PHE 6 -0.447 -0.420 1.417
40 HE2 PHE 6 2HE PHE 6 3.763 0.413 1.231
41 HZ PHE 6 HZ PHE 6 1.438 0.930 0.537
42 H ARG 7 H ARG 7 5.063 -3.756 3.808
43 HA ARG 7 HA ARG 7 6.097 -2.651 1.463
44 1HB ARG 7 2HB ARG 7 7.262 -2.702 3.673
45 2HB ARG 7 1HB ARG 7 7.633 -4.406 3.405
46 1HG ARG 7 2HG ARG 7 8.854 -3.811 1.339
47 2HG ARG 7 1HG ARG 7 8.496 -2.106 1.624
48 1HD ARG 7 2HD ARG 7 10.055 -3.899 3.508
49 2HD ARG 7 1HD ARG 7 10.764 -2.708 2.422
50 HE ARG 7 HE ARG 7 8.924 -1.254 3.907
51 1HH1 ARG 7 1HH2 ARG 7 11.557 -3.379 4.568
52 2HH1 ARG 7 2HH2 ARG 7 11.977 -2.607 6.061
53 1HH2 ARG 7 1HH1 ARG 7 9.456 -0.236 5.849
54 2HH2 ARG 7 2HH1 ARG 7 10.786 -0.828 6.787
55 H ALA 8 H ALA 8 5.767 -6.069 2.300
56 HA ALA 8 HA ALA 8 7.297 -7.060 0.061
57 1HB ALA 8 1HB ALA 8 6.770 -8.394 2.106
58 2HB ALA 8 2HB ALA 8 6.319 -9.226 0.617
59 3HB ALA 8 3HB ALA 8 5.081 -8.444 1.601
60 H VAL 9 H VAL 9 3.931 -6.109 0.485
61 HA VAL 9 HA VAL 9 2.992 -7.377 -1.941
62 HB VAL 9 HB VAL 9 1.810 -5.116 -0.308
63 1HG1 VAL 9 1HG1 VAL 9 -0.315 -5.904 -1.490
64 2HG1 VAL 9 2HG1 VAL 9 0.742 -6.763 -2.611
65 3HG1 VAL 9 3HG1 VAL 9 0.831 -5.006 -2.485
66 1HG2 VAL 9 1HG2 VAL 9 2.171 -7.481 0.703
67 2HG2 VAL 9 2HG2 VAL 9 0.909 -7.996 -0.418
68 3HG2 VAL 9 3HG2 VAL 9 0.556 -6.781 0.811
69 1HN PF5 10 H PF5 10 3.803 -3.955 -1.182
70 HA PF5 10 HA PF5 10 3.644 -3.395 -4.096
71 1HB PF5 10 1HB PF5 10 3.635 -1.042 -3.451
72 2HB PF5 10 2HB PF5 10 3.989 -1.477 -1.774
73 H GLY 11 H GLY 11 5.967 -3.578 -1.474
74 1HA GLY 11 2HA GLY 11 8.309 -4.003 -1.912
75 2HA GLY 11 1HA GLY 11 8.116 -3.255 -3.497
76 H MET 12 H MET 12 6.534 -1.421 -1.165
77 HA MET 12 HA MET 12 8.941 0.178 -0.495
78 1HB MET 12 2HB MET 12 7.597 2.268 -1.154
79 2HB MET 12 1HB MET 12 8.263 1.308 -2.476
80 1HG MET 12 2HG MET 12 5.490 0.751 -1.444
81 2HG MET 12 1HG MET 12 5.763 2.045 -2.610
82 1HE MET 12 1HE MET 12 4.766 0.067 -5.478
83 2HE MET 12 2HE MET 12 5.607 1.581 -5.156
84 3HE MET 12 3HE MET 12 4.230 1.119 -4.161
85 H THR 13 H THR 13 8.264 1.997 1.080
86 HA THR 13 HA THR 13 6.576 0.775 3.148
87 HB THR 13 HB THR 13 7.227 2.910 4.408
88 HG1 THR 13 1HG THR 13 7.709 4.181 2.620
89 1HG2 THR 13 1HG2 THR 13 9.417 1.126 3.308
90 2HG2 THR 13 2HG2 THR 13 8.410 0.777 4.713
91 3HG2 THR 13 3HG2 THR 13 9.547 2.125 4.756
92 H ARG 14 H ARG 14 4.789 1.996 4.163
93 HA ARG 14 HA ARG 14 2.842 2.909 2.345
94 1HB ARG 14 2HB ARG 14 3.201 3.481 5.296
95 2HB ARG 14 1HB ARG 14 1.778 3.990 4.387
96 1HG ARG 14 2HG ARG 14 2.643 1.131 4.177
97 2HG ARG 14 1HG ARG 14 1.820 1.649 5.649
98 1HD ARG 14 2HD ARG 14 -0.040 2.559 4.266
99 2HD ARG 14 1HD ARG 14 0.775 1.981 2.820
100 HE ARG 14 HE ARG 14 0.560 -0.276 4.431
101 1HH1 ARG 14 1HH2 ARG 14 -1.599 2.144 3.233
102 2HH1 ARG 14 2HH2 ARG 14 -2.950 1.066 3.122
103 1HH2 ARG 14 1HH1 ARG 14 -1.200 -1.685 4.296
104 2HH2 ARG 14 2HH1 ARG 14 -2.723 -1.097 3.722
105 H SER 15 H SER 15 5.514 4.635 3.811
106 HA SER 15 HA SER 15 4.602 7.303 3.548
107 1HB SER 15 2HB SER 15 7.423 6.323 3.017
108 2HB SER 15 1HB SER 15 6.944 7.953 3.484
109 HG SER 15 HG SER 15 6.074 5.881 5.112
110 H ALA 16 H ALA 16 6.297 5.251 1.168
111 HA ALA 16 HA ALA 16 6.087 7.260 -0.929
112 1HB ALA 16 1HB ALA 16 6.545 4.314 -1.389
113 2HB ALA 16 2HB ALA 16 7.816 5.339 -0.722
114 3HB ALA 16 3HB ALA 16 7.156 5.680 -2.322
115 H PHE 17 H PHE 17 4.462 4.143 -0.265
116 HA PHE 17 HA PHE 17 2.675 4.188 -2.462
117 1HB PHE 17 2HB PHE 17 3.062 2.298 -0.771
118 2HB PHE 17 1HB PHE 17 1.941 3.156 0.286
119 HD1 PHE 17 1HD PHE 17 2.229 1.902 -3.238
120 HD2 PHE 17 2HD PHE 17 -0.354 2.750 0.090
121 HE1 PHE 17 1HE PHE 17 0.312 0.926 -4.475
122 HE2 PHE 17 2HE PHE 17 -2.269 1.774 -1.149
123 HZ PHE 17 HZ PHE 17 -1.935 0.862 -3.430
124 H ALA 18 H ALA 18 2.489 5.768 0.699
125 HA ALA 18 HA ALA 18 -0.213 6.639 0.576
126 1HB ALA 18 1HB ALA 18 1.155 6.866 2.607
127 2HB ALA 18 2HB ALA 18 0.510 8.436 2.129
128 3HB ALA 18 3HB ALA 18 2.193 8.036 1.792
129 H ASN 19 H ASN 19 2.513 7.544 -1.298
130 HA ASN 19 HA ASN 19 1.894 10.241 -1.948
131 1HB ASN 19 2HB ASN 19 3.162 8.091 -3.675
132 2HB ASN 19 1HB ASN 19 3.203 9.821 -4.016
133 1HD2 ASN 19 1HD2 ASN 19 5.624 8.367 -3.592
134 2HD2 ASN 19 2HD2 ASN 19 6.319 8.889 -2.134
135 H LEU 20 H LEU 20 0.593 7.199 -3.208
136 HA LEU 20 HA LEU 20 -0.788 8.305 -5.469
137 1HB LEU 20 2HB LEU 20 -1.547 5.895 -3.790
138 2HB LEU 20 1HB LEU 20 -2.091 6.232 -5.433
139 HG LEU 20 HG LEU 20 0.801 5.822 -4.613
140 1HD1 LEU 20 1HD1 LEU 20 -1.283 4.010 -5.834
141 2HD1 LEU 20 2HD1 LEU 20 -0.226 3.694 -4.457
142 3HD1 LEU 20 3HD1 LEU 20 0.439 3.729 -6.091
143 1HD2 LEU 20 1HD2 LEU 20 0.881 5.530 -7.230
144 2HD2 LEU 20 2HD2 LEU 20 0.887 7.152 -6.537
145 3HD2 LEU 20 3HD2 LEU 20 -0.606 6.479 -7.189
146 HA PRO 21 HA PRO 21 -4.222 10.614 -3.932
147 1HB PRO 21 2HB PRO 21 -5.863 8.600 -5.458
148 2HB PRO 21 1HB PRO 21 -6.030 10.369 -5.400
149 1HG PRO 21 2HG PRO 21 -4.858 9.241 -7.466
150 2HG PRO 21 1HG PRO 21 -4.178 10.717 -6.753
151 1HD PRO 21 2HD PRO 21 -3.176 7.904 -6.553
152 2HD PRO 21 1HD PRO 21 -2.263 9.429 -6.563
153 H LEU 22 H LEU 22 -5.616 10.519 -2.169
154 HA LEU 22 HA LEU 22 -5.402 8.369 -0.336
155 1HB LEU 22 2HB LEU 22 -6.022 10.711 0.252
156 2HB LEU 22 1HB LEU 22 -7.605 10.447 -0.477
157 HG LEU 22 HG LEU 22 -7.943 8.523 1.102
158 1HD1 LEU 22 1HD1 LEU 22 -5.846 7.810 1.809
159 2HD1 LEU 22 2HD1 LEU 22 -6.328 8.806 3.182
160 3HD1 LEU 22 3HD1 LEU 22 -5.226 9.452 1.966
161 1HD2 LEU 22 1HD2 LEU 22 -8.332 9.962 3.091
162 2HD2 LEU 22 2HD2 LEU 22 -8.876 10.741 1.605
163 3HD2 LEU 22 3HD2 LEU 22 -7.353 11.227 2.350
164 H TRP 23 H TRP 23 -7.917 9.054 -2.752
165 HA TRP 23 HA TRP 23 -9.630 6.893 -1.805
166 1HB TRP 23 2HB TRP 23 -11.028 7.428 -3.711
167 2HB TRP 23 1HB TRP 23 -10.482 8.938 -2.982
168 HD1 TRP 23 HD TRP 23 -9.011 10.517 -4.405
169 HE1 TRP 23 1HE TRP 23 -8.136 10.456 -6.829
170 HE3 TRP 23 3HE TRP 23 -10.181 5.704 -5.642
171 HZ2 TRP 23 2HZ TRP 23 -7.955 8.607 -9.005
172 HZ3 TRP 23 3HZ TRP 23 -9.647 4.819 -7.894
173 HH2 TRP 23 HH TRP 23 -8.537 6.263 -9.576
174 H ARG 24 H ARG 24 -7.145 7.244 -4.283
175 HA ARG 24 HA ARG 24 -7.768 4.837 -5.723
176 1HB ARG 24 2HB ARG 24 -6.316 6.661 -6.606
177 2HB ARG 24 1HB ARG 24 -5.077 6.199 -5.438
178 1HG ARG 24 2HG ARG 24 -4.931 3.967 -6.414
179 2HG ARG 24 1HG ARG 24 -6.245 4.342 -7.530
180 1HD ARG 24 2HD ARG 24 -4.704 5.104 -8.981
181 2HD ARG 24 1HD ARG 24 -4.372 6.419 -7.849
182 HE ARG 24 HE ARG 24 -2.857 4.351 -6.847
183 1HH1 ARG 24 1HH2 ARG 24 -3.295 5.793 -9.946
184 2HH1 ARG 24 2HH2 ARG 24 -1.664 5.513 -10.456
185 1HH2 ARG 24 1HH1 ARG 24 -0.722 3.978 -7.493
186 2HH2 ARG 24 2HH1 ARG 24 -0.206 4.485 -9.066
187 H GLN 25 H GLN 25 -5.416 5.475 -3.093
188 HA GLN 25 HA GLN 25 -4.187 2.974 -2.975
189 1HB GLN 25 2HB GLN 25 -4.108 3.393 -0.432
190 2HB GLN 25 1HB GLN 25 -3.379 4.614 -1.478
191 1HG GLN 25 2HG GLN 25 -5.387 5.997 -1.342
192 2HG GLN 25 1HG GLN 25 -6.213 4.754 -0.400
193 1HE2 GLN 25 1HE2 GLN 25 -3.621 7.177 -0.278
194 2HE2 GLN 25 2HE2 GLN 25 -3.459 7.172 1.412
195 H GLN 26 H GLN 26 -7.350 3.874 -1.560
196 HA GLN 26 HA GLN 26 -7.849 1.310 -0.365
197 1HB GLN 26 2HB GLN 26 -9.796 3.375 -1.440
198 2HB GLN 26 1HB GLN 26 -10.251 1.986 -0.453
199 1HG GLN 26 2HG GLN 26 -8.779 2.798 1.362
200 2HG GLN 26 1HG GLN 26 -8.353 4.200 0.380
201 1HE2 GLN 26 1HE2 GLN 26 -9.345 5.537 2.160
202 2HE2 GLN 26 2HE2 GLN 26 -11.033 5.716 2.216
203 H ASN 27 H ASN 27 -8.365 2.625 -3.595
204 HA ASN 27 HA ASN 27 -9.906 0.457 -4.657
205 1HB ASN 27 2HB ASN 27 -9.497 2.753 -5.707
206 2HB ASN 27 1HB ASN 27 -7.921 2.138 -6.209
207 1HD2 ASN 27 1HD2 ASN 27 -8.788 2.431 -8.487
208 2HD2 ASN 27 2HD2 ASN 27 -9.776 1.216 -9.143
209 H LEU 28 H LEU 28 -6.391 1.121 -4.859
210 HA LEU 28 HA LEU 28 -5.781 -1.428 -6.074
211 1HB LEU 28 2HB LEU 28 -3.927 0.384 -4.504
212 2HB LEU 28 1HB LEU 28 -3.458 -0.844 -5.679
213 HG LEU 28 HG LEU 28 -5.045 1.675 -6.256
214 1HD1 LEU 28 1HD1 LEU 28 -2.236 0.772 -6.959
215 2HD1 LEU 28 2HD1 LEU 28 -2.684 2.137 -5.938
216 3HD1 LEU 28 3HD1 LEU 28 -3.025 2.181 -7.668
217 1HD2 LEU 28 1HD2 LEU 28 -5.893 0.106 -7.786
218 2HD2 LEU 28 2HD2 LEU 28 -4.361 -0.761 -7.892
219 3HD2 LEU 28 3HD2 LEU 28 -4.543 0.809 -8.677
220 H ARG 29 H ARG 29 -5.946 -0.284 -2.731
221 HA ARG 29 HA ARG 29 -4.667 -2.657 -1.646
222 1HB ARG 29 2HB ARG 29 -6.268 -0.412 -0.410
223 2HB ARG 29 1HB ARG 29 -5.642 -1.761 0.540
224 1HG ARG 29 2HG ARG 29 -3.358 -1.253 -0.191
225 2HG ARG 29 1HG ARG 29 -3.957 0.052 -1.213
226 1HD ARG 29 2HD ARG 29 -4.211 -0.086 1.806
227 2HD ARG 29 1HD ARG 29 -3.097 0.947 0.912
228 HE ARG 29 HE ARG 29 -5.584 1.607 -0.117
229 1HH1 ARG 29 1HH2 ARG 29 -4.149 1.393 3.014
230 2HH1 ARG 29 2HH2 ARG 29 -5.126 2.653 3.691
231 1HH2 ARG 29 1HH1 ARG 29 -6.863 3.250 0.750
232 2HH2 ARG 29 2HH1 ARG 29 -6.662 3.704 2.408
233 H ARG 30 H ARG 30 -8.075 -1.617 -2.006
234 HA ARG 30 HA ARG 30 -9.147 -3.941 -0.679
235 1HB ARG 30 2HB ARG 30 -10.322 -1.991 -2.670
236 2HB ARG 30 1HB ARG 30 -11.254 -3.336 -2.010
237 1HG ARG 30 2HG ARG 30 -10.777 -2.515 0.285
238 2HG ARG 30 1HG ARG 30 -9.903 -1.146 -0.403
239 1HD ARG 30 2HD ARG 30 -12.837 -1.785 -0.833
240 2HD ARG 30 1HD ARG 30 -12.193 -0.474 0.154
241 HE ARG 30 HE ARG 30 -11.078 -0.032 -2.344
242 1HH1 ARG 30 1HH2 ARG 30 -14.245 -0.526 -1.071
243 2HH1 ARG 30 2HH2 ARG 30 -15.021 0.463 -2.263
244 1HH2 ARG 30 1HH1 ARG 30 -12.073 1.260 -3.905
245 2HH2 ARG 30 2HH1 ARG 30 -13.791 1.474 -3.867
246 H GLU 31 H GLU 31 -8.212 -3.251 -4.017
247 HA GLU 31 HA GLU 31 -9.340 -5.513 -5.298
248 1HB GLU 31 2HB GLU 31 -8.110 -3.601 -6.417
249 2HB GLU 31 1HB GLU 31 -6.603 -4.340 -5.881
250 1HG GLU 31 2HG GLU 31 -7.009 -5.089 -8.136
251 2HG GLU 31 1HG GLU 31 -7.324 -6.453 -7.063
252 H ARG 32 H ARG 32 -6.647 -5.231 -3.102
253 HA ARG 32 HA ARG 32 -5.876 -8.059 -3.642
254 1HB ARG 32 2HB ARG 32 -4.447 -5.770 -2.281
255 2HB ARG 32 1HB ARG 32 -3.866 -7.434 -2.202
256 1HG ARG 32 2HG ARG 32 -3.626 -7.545 -4.595
257 2HG ARG 32 1HG ARG 32 -4.446 -5.998 -4.803
258 1HD ARG 32 2HD ARG 32 -2.415 -5.342 -3.063
259 2HD ARG 32 1HD ARG 32 -1.647 -6.551 -4.091
260 HE ARG 32 HE ARG 32 -2.102 -3.900 -4.892
261 1HH1 ARG 32 1HH2 ARG 32 -2.882 -7.100 -5.913
262 2HH1 ARG 32 2HH2 ARG 32 -2.945 -6.690 -7.595
263 1HH2 ARG 32 1HH1 ARG 32 -2.179 -3.348 -7.081
264 2HH2 ARG 32 2HH1 ARG 32 -2.547 -4.565 -8.257
265 H GLY 33 H GLY 33 -7.938 -6.456 -1.633
266 1HA GLY 33 2HA GLY 33 -9.092 -7.370 0.235
267 2HA GLY 33 1HA GLY 33 -7.909 -8.677 0.284
268 H LEU 34 H LEU 34 -6.174 -5.859 0.081
269 HA LEU 34 HA LEU 34 -5.553 -5.976 2.966
270 1HB LEU 34 2HB LEU 34 -4.287 -4.145 0.923
271 2HB LEU 34 1HB LEU 34 -3.606 -4.711 2.447
272 HG LEU 34 HG LEU 34 -4.158 -6.369 -0.029
273 1HD1 LEU 34 1HD1 LEU 34 -1.638 -5.570 1.457
274 2HD1 LEU 34 2HD1 LEU 34 -2.094 -5.111 -0.184
275 3HD1 LEU 34 3HD1 LEU 34 -1.680 -6.787 0.180
276 1HD2 LEU 34 1HD2 LEU 34 -3.023 -8.174 1.431
277 2HD2 LEU 34 2HD2 LEU 34 -4.709 -7.797 1.787
278 3HD2 LEU 34 3HD2 LEU 34 -3.425 -7.137 2.801
279 H PHE 35 H PHE 35 -7.096 -3.837 0.645
280 HA PHE 35 HA PHE 35 -8.062 -1.699 0.945
281 1HB PHE 35 2HB PHE 35 -9.772 -1.724 2.607
282 2HB PHE 35 1HB PHE 35 -9.594 -3.402 2.098
283 HD1 PHE 35 1HD PHE 35 -8.707 -0.946 4.741
284 HD2 PHE 35 2HD PHE 35 -8.796 -5.087 3.600
285 HE1 PHE 35 1HE PHE 35 -8.172 -1.601 7.074
286 HE2 PHE 35 2HE PHE 35 -8.262 -5.740 5.932
287 HZ PHE 35 HZ PHE 35 -7.951 -3.998 7.669
Start of MODEL 20
1 1H LEU 1 1HT LEU 1 0.828 -0.910 10.321
2 2H LEU 1 2HT LEU 1 2.004 -1.754 11.212
3 3H LEU 1 3HT LEU 1 0.632 -1.124 11.992
4 HA LEU 1 HA LEU 1 -0.240 -3.150 11.772
5 1HB LEU 1 2HB LEU 1 -0.342 -2.026 8.973
6 2HB LEU 1 1HB LEU 1 -1.070 -3.586 9.358
7 HG LEU 1 HG LEU 1 -2.390 -2.488 11.164
8 1HD1 LEU 1 1HD1 LEU 1 -0.937 -0.068 10.095
9 2HD1 LEU 1 2HD1 LEU 1 -1.101 -0.600 11.769
10 3HD1 LEU 1 3HD1 LEU 1 -2.488 0.087 10.922
11 1HD2 LEU 1 1HD2 LEU 1 -3.970 -1.374 9.672
12 2HD2 LEU 1 2HD2 LEU 1 -3.288 -2.773 8.843
13 3HD2 LEU 1 3HD2 LEU 1 -2.711 -1.151 8.458
14 H SER 2 H SER 2 1.462 -3.110 8.633
15 HA SER 2 HA SER 2 3.266 -5.249 9.592
16 1HB SER 2 2HB SER 2 1.688 -5.698 7.063
17 2HB SER 2 1HB SER 2 2.602 -6.869 8.009
18 HG SER 2 HG SER 2 0.034 -6.206 8.211
19 H ASP 3 H ASP 3 4.638 -3.237 9.203
20 HA ASP 3 HA ASP 3 5.045 -2.163 6.597
21 1HB ASP 3 2HB ASP 3 7.174 -1.342 7.448
22 2HB ASP 3 1HB ASP 3 5.961 -1.184 8.719
23 H GLU 4 H GLU 4 6.273 -5.065 8.167
24 HA GLU 4 HA GLU 4 8.252 -5.681 6.149
25 1HB GLU 4 2HB GLU 4 8.082 -6.657 8.521
26 2HB GLU 4 1HB GLU 4 6.815 -7.702 7.879
27 1HG GLU 4 2HG GLU 4 8.876 -8.929 7.712
28 2HG GLU 4 1HG GLU 4 8.456 -8.410 6.078
29 H ASP 5 H ASP 5 4.943 -6.888 6.763
30 HA ASP 5 HA ASP 5 4.871 -8.404 4.285
31 1HB ASP 5 2HB ASP 5 3.470 -8.767 6.442
32 2HB ASP 5 1HB ASP 5 2.437 -7.484 5.811
33 H PHE 6 H PHE 6 3.424 -5.328 5.371
34 HA PHE 6 HA PHE 6 2.023 -4.625 3.050
35 1HB PHE 6 2HB PHE 6 1.950 -3.274 5.095
36 2HB PHE 6 1HB PHE 6 3.640 -2.818 4.874
37 HD1 PHE 6 1HD PHE 6 0.196 -2.235 3.823
38 HD2 PHE 6 2HD PHE 6 4.315 -1.399 2.936
39 HE1 PHE 6 1HE PHE 6 -0.501 -0.358 2.358
40 HE2 PHE 6 2HE PHE 6 3.617 0.477 1.470
41 HZ PHE 6 HZ PHE 6 1.211 0.998 1.183
42 H ARG 7 H ARG 7 5.390 -3.645 3.803
43 HA ARG 7 HA ARG 7 6.002 -2.438 1.354
44 1HB ARG 7 2HB ARG 7 7.498 -2.465 3.347
45 2HB ARG 7 1HB ARG 7 7.874 -4.155 3.015
46 1HG ARG 7 2HG ARG 7 8.817 -3.560 0.844
47 2HG ARG 7 1HG ARG 7 8.347 -1.875 1.073
48 1HD ARG 7 2HD ARG 7 10.671 -2.020 1.654
49 2HD ARG 7 1HD ARG 7 9.781 -1.874 3.167
50 HE ARG 7 HE ARG 7 10.004 -4.614 2.776
51 1HH1 ARG 7 1HH2 ARG 7 12.143 -1.911 2.874
52 2HH1 ARG 7 2HH2 ARG 7 13.481 -2.825 3.487
53 1HH2 ARG 7 1HH1 ARG 7 11.737 -5.820 3.573
54 2HH2 ARG 7 2HH1 ARG 7 13.250 -5.039 3.883
55 H ALA 8 H ALA 8 6.055 -5.889 2.175
56 HA ALA 8 HA ALA 8 7.224 -6.765 -0.303
57 1HB ALA 8 1HB ALA 8 5.373 -8.250 1.586
58 2HB ALA 8 2HB ALA 8 7.131 -8.185 1.724
59 3HB ALA 8 3HB ALA 8 6.382 -8.988 0.343
60 H VAL 9 H VAL 9 3.945 -5.922 0.628
61 HA VAL 9 HA VAL 9 2.657 -7.257 -1.588
62 HB VAL 9 HB VAL 9 1.738 -4.977 0.180
63 1HG1 VAL 9 1HG1 VAL 9 0.468 -4.850 -1.854
64 2HG1 VAL 9 2HG1 VAL 9 -0.546 -5.695 -0.683
65 3HG1 VAL 9 3HG1 VAL 9 0.305 -6.605 -1.932
66 1HG2 VAL 9 1HG2 VAL 9 0.594 -6.653 1.427
67 2HG2 VAL 9 2HG2 VAL 9 2.205 -7.317 1.148
68 3HG2 VAL 9 3HG2 VAL 9 0.842 -7.866 0.170
69 1HN PF5 10 H PF5 10 3.393 -3.768 -1.054
70 HA PF5 10 HA PF5 10 2.944 -3.386 -3.974
71 1HB PF5 10 1HB PF5 10 2.565 -1.074 -3.485
72 2HB PF5 10 2HB PF5 10 3.258 -1.239 -1.865
73 H GLY 11 H GLY 11 5.485 -3.867 -1.856
74 1HA GLY 11 2HA GLY 11 7.802 -3.740 -2.259
75 2HA GLY 11 1HA GLY 11 7.432 -3.136 -3.875
76 H MET 12 H MET 12 5.938 -1.455 -1.268
77 HA MET 12 HA MET 12 8.109 0.566 -1.179
78 1HB MET 12 2HB MET 12 5.844 0.870 -2.823
79 2HB MET 12 1HB MET 12 5.540 1.885 -1.412
80 1HG MET 12 2HG MET 12 6.744 3.248 -2.974
81 2HG MET 12 1HG MET 12 7.894 2.804 -1.713
82 1HE MET 12 1HE MET 12 6.939 2.891 -5.262
83 2HE MET 12 2HE MET 12 6.371 1.239 -5.035
84 3HE MET 12 3HE MET 12 7.750 1.552 -6.085
85 H THR 13 H THR 13 7.833 2.068 0.636
86 HA THR 13 HA THR 13 6.652 0.755 2.958
87 HB THR 13 HB THR 13 7.410 2.924 4.103
88 HG1 THR 13 1HG THR 13 7.386 4.164 2.171
89 1HG2 THR 13 1HG2 THR 13 9.469 1.355 2.528
90 2HG2 THR 13 2HG2 THR 13 8.751 0.835 4.051
91 3HG2 THR 13 3HG2 THR 13 9.769 2.274 4.002
92 H ARG 14 H ARG 14 4.936 1.639 4.262
93 HA ARG 14 HA ARG 14 2.668 2.577 2.884
94 1HB ARG 14 2HB ARG 14 3.426 2.917 5.800
95 2HB ARG 14 1HB ARG 14 1.826 3.273 5.150
96 1HG ARG 14 2HG ARG 14 1.700 0.918 4.306
97 2HG ARG 14 1HG ARG 14 3.230 0.586 5.119
98 1HD ARG 14 2HD ARG 14 0.686 1.533 6.479
99 2HD ARG 14 1HD ARG 14 1.333 -0.101 6.538
100 HE ARG 14 HE ARG 14 3.426 1.491 7.439
101 1HH1 ARG 14 1HH2 ARG 14 0.087 1.089 8.237
102 2HH1 ARG 14 2HH2 ARG 14 0.314 1.440 9.919
103 1HH2 ARG 14 1HH1 ARG 14 3.730 1.957 9.628
104 2HH2 ARG 14 2HH1 ARG 14 2.372 1.929 10.704
105 H SER 15 H SER 15 5.380 4.375 4.221
106 HA SER 15 HA SER 15 4.125 6.968 4.165
107 1HB SER 15 2HB SER 15 7.069 6.320 3.827
108 2HB SER 15 1HB SER 15 6.383 7.867 4.318
109 HG SER 15 HG SER 15 5.573 5.675 5.793
110 H ALA 16 H ALA 16 6.151 5.206 1.821
111 HA ALA 16 HA ALA 16 5.954 7.303 -0.185
112 1HB ALA 16 1HB ALA 16 6.894 5.531 -1.703
113 2HB ALA 16 2HB ALA 16 6.788 4.392 -0.360
114 3HB ALA 16 3HB ALA 16 7.854 5.793 -0.247
115 H PHE 17 H PHE 17 4.213 4.316 0.552
116 HA PHE 17 HA PHE 17 2.686 4.115 -1.839
117 1HB PHE 17 2HB PHE 17 2.820 2.448 0.114
118 2HB PHE 17 1HB PHE 17 1.612 3.458 0.909
119 HD1 PHE 17 1HD PHE 17 2.278 1.689 -2.326
120 HD2 PHE 17 2HD PHE 17 -0.666 3.138 0.448
121 HE1 PHE 17 1HE PHE 17 0.490 0.599 -3.654
122 HE2 PHE 17 2HE PHE 17 -2.454 2.048 -0.882
123 HZ PHE 17 HZ PHE 17 -1.876 0.778 -2.932
124 H ALA 18 H ALA 18 2.259 6.107 1.049
125 HA ALA 18 HA ALA 18 -0.384 7.035 0.498
126 1HB ALA 18 1HB ALA 18 0.775 7.418 2.655
127 2HB ALA 18 2HB ALA 18 0.190 8.930 1.963
128 3HB ALA 18 3HB ALA 18 1.899 8.511 1.847
129 H ASN 19 H ASN 19 2.472 7.464 -1.243
130 HA ASN 19 HA ASN 19 2.166 10.154 -2.187
131 1HB ASN 19 2HB ASN 19 3.440 7.743 -3.519
132 2HB ASN 19 1HB ASN 19 3.633 9.413 -4.055
133 1HD2 ASN 19 1HD2 ASN 19 5.837 7.745 -3.117
134 2HD2 ASN 19 2HD2 ASN 19 6.447 8.465 -1.706
135 H LEU 20 H LEU 20 0.747 7.087 -3.224
136 HA LEU 20 HA LEU 20 -0.334 8.085 -5.715
137 1HB LEU 20 2HB LEU 20 -1.576 5.844 -4.133
138 2HB LEU 20 1HB LEU 20 -1.423 6.008 -5.883
139 HG LEU 20 HG LEU 20 0.783 5.414 -3.893
140 1HD1 LEU 20 1HD1 LEU 20 -0.523 3.470 -4.558
141 2HD1 LEU 20 2HD1 LEU 20 1.042 3.403 -5.367
142 3HD1 LEU 20 3HD1 LEU 20 -0.390 3.920 -6.258
143 1HD2 LEU 20 1HD2 LEU 20 1.869 6.849 -5.397
144 2HD2 LEU 20 2HD2 LEU 20 0.857 6.352 -6.753
145 3HD2 LEU 20 3HD2 LEU 20 2.115 5.272 -6.150
146 HA PRO 21 HA PRO 21 -3.856 10.505 -4.636
147 1HB PRO 21 2HB PRO 21 -5.413 8.439 -6.179
148 2HB PRO 21 1HB PRO 21 -5.522 10.212 -6.251
149 1HG PRO 21 2HG PRO 21 -4.214 8.923 -8.127
150 2HG PRO 21 1HG PRO 21 -3.539 10.414 -7.443
151 1HD PRO 21 2HD PRO 21 -2.691 7.578 -6.968
152 2HD PRO 21 1HD PRO 21 -1.703 9.054 -7.027
153 H LEU 22 H LEU 22 -5.079 10.538 -2.806
154 HA LEU 22 HA LEU 22 -5.191 8.465 -0.942
155 1HB LEU 22 2HB LEU 22 -5.729 10.844 -0.467
156 2HB LEU 22 1HB LEU 22 -7.266 10.646 -1.309
157 HG LEU 22 HG LEU 22 -7.855 8.820 0.295
158 1HD1 LEU 22 1HD1 LEU 22 -6.360 9.029 2.473
159 2HD1 LEU 22 2HD1 LEU 22 -5.133 9.551 1.318
160 3HD1 LEU 22 3HD1 LEU 22 -5.875 7.958 1.158
161 1HD2 LEU 22 1HD2 LEU 22 -7.145 11.527 1.469
162 2HD2 LEU 22 2HD2 LEU 22 -8.200 10.350 2.252
163 3HD2 LEU 22 3HD2 LEU 22 -8.675 11.076 0.717
164 H TRP 23 H TRP 23 -7.693 9.282 -3.364
165 HA TRP 23 HA TRP 23 -9.492 7.197 -2.507
166 1HB TRP 23 2HB TRP 23 -10.749 7.708 -4.501
167 2HB TRP 23 1HB TRP 23 -10.136 9.230 -3.852
168 HD1 TRP 23 HD TRP 23 -8.423 10.571 -5.271
169 HE1 TRP 23 1HE TRP 23 -7.466 10.285 -7.649
170 HE3 TRP 23 3HE TRP 23 -10.031 5.837 -6.306
171 HZ2 TRP 23 2HZ TRP 23 -7.394 8.310 -9.715
172 HZ3 TRP 23 3HZ TRP 23 -9.506 4.778 -8.483
173 HH2 TRP 23 HH TRP 23 -8.190 6.006 -10.188
174 H ARG 24 H ARG 24 -7.022 7.361 -5.070
175 HA ARG 24 HA ARG 24 -7.612 4.839 -6.262
176 1HB ARG 24 2HB ARG 24 -6.129 6.565 -7.276
177 2HB ARG 24 1HB ARG 24 -4.910 6.193 -6.055
178 1HG ARG 24 2HG ARG 24 -4.731 3.907 -6.843
179 2HG ARG 24 1HG ARG 24 -6.072 4.146 -7.962
180 1HD ARG 24 2HD ARG 24 -4.277 4.470 -9.393
181 2HD ARG 24 1HD ARG 24 -4.551 6.127 -8.847
182 HE ARG 24 HE ARG 24 -2.749 5.124 -7.003
183 1HH1 ARG 24 1HH2 ARG 24 -2.958 5.306 -10.439
184 2HH1 ARG 24 2HH2 ARG 24 -1.249 5.462 -10.669
185 1HH2 ARG 24 1HH1 ARG 24 -0.514 5.328 -7.283
186 2HH2 ARG 24 2HH1 ARG 24 0.136 5.475 -8.882
187 H GLN 25 H GLN 25 -5.398 5.670 -3.582
188 HA GLN 25 HA GLN 25 -4.121 3.213 -3.244
189 1HB GLN 25 2HB GLN 25 -5.144 5.127 -1.135
190 2HB GLN 25 1HB GLN 25 -4.085 3.762 -0.781
191 1HG GLN 25 2HG GLN 25 -2.395 4.652 -2.346
192 2HG GLN 25 1HG GLN 25 -3.451 6.017 -2.713
193 1HE2 GLN 25 1HE2 GLN 25 -2.062 4.402 0.205
194 2HE2 GLN 25 2HE2 GLN 25 -1.749 5.849 1.036
195 H GLN 26 H GLN 26 -7.403 4.100 -2.141
196 HA GLN 26 HA GLN 26 -7.937 1.608 -0.817
197 1HB GLN 26 2HB GLN 26 -9.830 3.534 -2.200
198 2HB GLN 26 1HB GLN 26 -10.342 2.193 -1.173
199 1HG GLN 26 2HG GLN 26 -9.121 3.155 0.728
200 2HG GLN 26 1HG GLN 26 -8.554 4.479 -0.292
201 1HE2 GLN 26 1HE2 GLN 26 -10.109 5.037 2.023
202 2HE2 GLN 26 2HE2 GLN 26 -11.629 5.619 1.538
203 H ASN 27 H ASN 27 -8.275 2.698 -4.161
204 HA ASN 27 HA ASN 27 -9.604 0.409 -5.215
205 1HB ASN 27 2HB ASN 27 -9.125 2.637 -6.383
206 2HB ASN 27 1HB ASN 27 -7.498 2.022 -6.676
207 1HD2 ASN 27 1HD2 ASN 27 -7.276 0.932 -8.631
208 2HD2 ASN 27 2HD2 ASN 27 -8.535 0.158 -9.466
209 H LEU 28 H LEU 28 -6.106 1.141 -5.009
210 HA LEU 28 HA LEU 28 -5.307 -1.465 -5.986
211 1HB LEU 28 2HB LEU 28 -3.675 0.457 -4.306
212 2HB LEU 28 1HB LEU 28 -3.066 -0.797 -5.386
213 HG LEU 28 HG LEU 28 -4.578 1.707 -6.180
214 1HD1 LEU 28 1HD1 LEU 28 -2.437 2.071 -7.491
215 2HD1 LEU 28 2HD1 LEU 28 -1.749 0.710 -6.607
216 3HD1 LEU 28 3HD1 LEU 28 -2.252 2.160 -5.738
217 1HD2 LEU 28 1HD2 LEU 28 -5.361 0.084 -7.701
218 2HD2 LEU 28 2HD2 LEU 28 -3.828 -0.788 -7.699
219 3HD2 LEU 28 3HD2 LEU 28 -3.961 0.760 -8.532
220 H ARG 29 H ARG 29 -5.921 -0.111 -2.776
221 HA ARG 29 HA ARG 29 -4.796 -2.452 -1.426
222 1HB ARG 29 2HB ARG 29 -6.346 -0.046 -0.452
223 2HB ARG 29 1HB ARG 29 -5.826 -1.348 0.620
224 1HG ARG 29 2HG ARG 29 -3.478 -0.992 -0.132
225 2HG ARG 29 1HG ARG 29 -4.023 0.366 -1.116
226 1HD ARG 29 2HD ARG 29 -4.406 0.168 1.884
227 2HD ARG 29 1HD ARG 29 -3.115 1.078 1.103
228 HE ARG 29 HE ARG 29 -5.429 2.053 -0.076
229 1HH1 ARG 29 1HH2 ARG 29 -4.248 1.611 3.136
230 2HH1 ARG 29 2HH2 ARG 29 -5.111 2.967 3.778
231 1HH2 ARG 29 1HH1 ARG 29 -6.557 3.822 0.745
232 2HH2 ARG 29 2HH1 ARG 29 -6.420 4.220 2.425
233 H ARG 30 H ARG 30 -8.128 -1.151 -1.838
234 HA ARG 30 HA ARG 30 -9.419 -3.333 -0.536
235 1HB ARG 30 2HB ARG 30 -10.518 -1.166 -1.219
236 2HB ARG 30 1HB ARG 30 -10.530 -1.761 -2.880
237 1HG ARG 30 2HG ARG 30 -11.883 -3.687 -2.217
238 2HG ARG 30 1HG ARG 30 -11.802 -3.191 -0.526
239 1HD ARG 30 2HD ARG 30 -13.080 -1.610 -2.778
240 2HD ARG 30 1HD ARG 30 -13.939 -2.489 -1.514
241 HE ARG 30 HE ARG 30 -12.808 0.139 -1.237
242 1HH1 ARG 30 1HH2 ARG 30 -13.249 -2.890 0.353
243 2HH1 ARG 30 2HH2 ARG 30 -13.223 -2.208 1.945
244 1HH2 ARG 30 1HH1 ARG 30 -12.770 1.045 0.830
245 2HH2 ARG 30 2HH1 ARG 30 -12.951 0.021 2.215
246 H GLU 31 H GLU 31 -8.529 -2.862 -3.957
247 HA GLU 31 HA GLU 31 -9.605 -5.316 -4.942
248 1HB GLU 31 2HB GLU 31 -8.688 -3.401 -6.332
249 2HB GLU 31 1HB GLU 31 -7.070 -3.959 -5.911
250 1HG GLU 31 2HG GLU 31 -9.075 -5.872 -7.083
251 2HG GLU 31 1HG GLU 31 -8.145 -4.803 -8.133
252 H ARG 32 H ARG 32 -6.857 -4.626 -2.961
253 HA ARG 32 HA ARG 32 -5.444 -7.109 -3.578
254 1HB ARG 32 2HB ARG 32 -4.434 -4.877 -2.746
255 2HB ARG 32 1HB ARG 32 -4.969 -5.395 -1.147
256 1HG ARG 32 2HG ARG 32 -2.852 -6.326 -1.169
257 2HG ARG 32 1HG ARG 32 -3.774 -7.660 -1.865
258 1HD ARG 32 2HD ARG 32 -3.273 -6.641 -4.150
259 2HD ARG 32 1HD ARG 32 -2.119 -5.592 -3.327
260 HE ARG 32 HE ARG 32 -1.424 -8.147 -2.492
261 1HH1 ARG 32 1HH2 ARG 32 -1.924 -6.535 -5.499
262 2HH1 ARG 32 2HH2 ARG 32 -0.758 -7.487 -6.355
263 1HH2 ARG 32 1HH1 ARG 32 0.101 -9.399 -3.592
264 2HH2 ARG 32 2HH1 ARG 32 0.389 -9.109 -5.276
265 H GLY 33 H GLY 33 -7.963 -6.156 -1.378
266 1HA GLY 33 2HA GLY 33 -9.292 -7.768 -0.169
267 2HA GLY 33 1HA GLY 33 -7.958 -8.915 -0.289
268 H LEU 34 H LEU 34 -6.472 -6.137 0.561
269 HA LEU 34 HA LEU 34 -6.383 -6.953 3.402
270 1HB LEU 34 2HB LEU 34 -4.842 -4.755 1.990
271 2HB LEU 34 1HB LEU 34 -4.492 -5.433 3.580
272 HG LEU 34 HG LEU 34 -4.445 -6.989 0.976
273 1HD1 LEU 34 1HD1 LEU 34 -2.605 -5.264 1.337
274 2HD1 LEU 34 2HD1 LEU 34 -2.054 -6.927 1.139
275 3HD1 LEU 34 3HD1 LEU 34 -2.118 -6.204 2.747
276 1HD2 LEU 34 1HD2 LEU 34 -4.030 -7.690 3.874
277 2HD2 LEU 34 2HD2 LEU 34 -3.171 -8.590 2.624
278 3HD2 LEU 34 3HD2 LEU 34 -4.934 -8.566 2.639
279 H PHE 35 H PHE 35 -8.235 -4.886 1.549
280 HA PHE 35 HA PHE 35 -9.236 -3.518 3.938
281 1HB PHE 35 2HB PHE 35 -7.756 -2.051 1.752
282 2HB PHE 35 1HB PHE 35 -8.940 -1.240 2.776
283 HD1 PHE 35 1HD PHE 35 -5.599 -2.705 2.602
284 HD2 PHE 35 2HD PHE 35 -8.586 -1.097 5.236
285 HE1 PHE 35 1HE PHE 35 -3.895 -2.467 4.389
286 HE2 PHE 35 2HE PHE 35 -6.883 -0.858 7.023
287 HZ PHE 35 HZ PHE 35 -4.538 -1.545 6.599