Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
511249 | 2l1o RC | 17091 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 2H1 ACE 0 11.161 -2.746 -3.836
2 H2 ACE 0 3H1 ACE 0 12.088 -4.035 -4.641
3 H3 ACE 0 1H1 ACE 0 11.351 -2.734 -5.605
4 H TRP 1 H TRP 1 10.954 -5.417 -6.150
5 HA TRP 1 HA TRP 1 8.203 -5.987 -5.123
6 HB2 TRP 1 2HB TRP 1 7.435 -5.114 -7.059
7 HB3 TRP 1 1HB TRP 1 9.007 -5.302 -7.896
8 HD1 TRP 1 HD TRP 1 6.947 -8.106 -6.378
9 HE1 TRP 1 1HE TRP 1 6.417 -9.916 -8.270
10 HE3 TRP 1 3HE TRP 1 9.152 -5.786 -10.223
11 HZ2 TRP 1 2HZ TRP 1 6.946 -10.111 -11.050
12 HZ3 TRP 1 3HZ TRP 1 8.686 -6.406 -12.458
13 HH2 TRP 1 HH TRP 1 7.686 -8.708 -12.983
14 HA PRO 2 HA PRO 2 10.790 -9.690 -4.762
15 HB2 PRO 2 2HB PRO 2 9.523 -10.635 -2.583
16 HB3 PRO 2 1HB PRO 2 10.964 -9.521 -2.607
17 HG2 PRO 2 2HG PRO 2 8.045 -8.952 -2.181
18 HG3 PRO 2 1HG PRO 2 9.503 -8.252 -1.327
19 HD2 PRO 2 1HD PRO 2 8.189 -6.893 -3.496
20 HD3 PRO 2 2HD PRO 2 9.978 -6.747 -3.186
21 HA PRO 3 HA PRO 3 8.001 -12.591 -6.595
22 HB2 PRO 3 2HB PRO 3 8.678 -15.062 -5.634
23 HB3 PRO 3 1HB PRO 3 9.616 -14.173 -6.834
24 HG2 PRO 3 2HG PRO 3 10.057 -14.325 -3.816
25 HG3 PRO 3 1HG PRO 3 11.255 -14.469 -5.102
26 HD2 PRO 3 1HD PRO 3 10.815 -12.031 -3.791
27 HD3 PRO 3 2HD PRO 3 11.184 -12.055 -5.581
28 H ARG 4 H ARG 4 8.153 -13.422 -3.055
29 HA ARG 4 HA ARG 4 5.380 -14.362 -3.173
30 HB2 ARG 4 2HB ARG 4 5.995 -15.266 -0.858
31 HB3 ARG 4 1HB ARG 4 7.167 -15.784 -2.045
32 HG2 ARG 4 2HG ARG 4 8.557 -13.693 -1.314
33 HG3 ARG 4 1HG ARG 4 7.489 -13.637 0.068
34 HD2 ARG 4 2HD ARG 4 8.133 -15.829 0.772
35 HD3 ARG 4 1HD ARG 4 9.020 -16.114 -0.743
36 HE ARG 4 HE ARG 4 9.961 -14.753 1.563
37 HH11 ARG 4 2HH2 ARG 4 10.359 -14.728 -1.972
38 HH12 ARG 4 1HH2 ARG 4 11.872 -13.787 -1.874
39 HH21 ARG 4 2HH1 ARG 4 11.922 -13.626 1.619
40 HH22 ARG 4 1HH1 ARG 4 12.726 -13.189 0.087
41 H SER 5 H SER 5 5.835 -11.502 -3.435
42 HA SER 5 HA SER 5 4.099 -10.224 -1.676
43 HB2 SER 5 2HB SER 5 5.707 -8.925 -0.235
44 HB3 SER 5 1HB SER 5 5.333 -10.563 0.264
45 HG SER 5 HG SER 5 7.320 -11.307 -0.435
46 H TYR 6 H TYR 6 3.906 -8.088 -2.059
47 HA TYR 6 HA TYR 6 5.536 -6.898 -4.304
48 HB2 TYR 6 1HB TYR 6 2.596 -6.998 -4.439
49 HB3 TYR 6 2HB TYR 6 3.651 -6.606 -5.623
50 HD1 TYR 6 2HD TYR 6 2.345 -9.331 -3.653
51 HD2 TYR 6 1HD TYR 6 4.435 -8.265 -7.240
52 HE1 TYR 6 2HE TYR 6 2.373 -11.696 -4.304
53 HE2 TYR 6 1HE TYR 6 4.526 -10.657 -7.884
54 HH TYR 6 HH TYR 6 3.994 -13.191 -6.768
55 H THR 7 H THR 7 4.918 -4.620 -4.717
56 HA THR 7 HA THR 7 4.378 -3.196 -2.169
57 HB THR 7 HB THR 7 5.913 -2.124 -4.592
58 HG1 THR 7 1HG THR 7 6.949 -3.847 -2.524
59 HG21 THR 7 3HG2 THR 7 6.198 -1.684 -1.604
60 HG22 THR 7 1HG2 THR 7 7.129 -0.875 -2.886
61 HG23 THR 7 2HG2 THR 7 5.379 -0.588 -2.742
62 H CYS 8 H CYS 8 3.138 -1.017 -2.400
63 HA CYS 8 HA CYS 8 1.285 -1.256 -4.648
64 HB2 CYS 8 2HB CYS 8 0.826 -0.867 -1.968
65 HB3 CYS 8 1HB CYS 8 0.683 0.771 -2.635
66 H SER 9 H SER 9 4.165 0.273 -3.856
67 HA SER 9 HA SER 9 5.432 2.058 -4.503
68 HB2 SER 9 2HB SER 9 5.263 3.234 -6.284
69 HB3 SER 9 1HB SER 9 4.515 1.664 -6.716
70 HG SER 9 HG SER 9 2.703 2.662 -7.194
71 H PHE 10 H PHE 10 2.067 3.273 -4.478
72 HA PHE 10 HA PHE 10 2.504 5.667 -3.230
73 HB2 PHE 10 1HB PHE 10 0.398 4.000 -3.987
74 HB3 PHE 10 2HB PHE 10 0.037 4.530 -2.485
75 HD1 PHE 10 2HD PHE 10 -0.089 7.055 -2.033
76 HD2 PHE 10 1HD PHE 10 -0.300 5.112 -5.850
77 HE1 PHE 10 2HE PHE 10 -1.378 8.973 -2.939
78 HE2 PHE 10 1HE PHE 10 -1.590 7.020 -6.759
79 HZ PHE 10 HZ PHE 10 -2.114 8.964 -5.311
80 H CYS 11 H CYS 11 1.955 2.468 -1.486
81 HA CYS 11 HA CYS 11 2.416 4.033 0.966
82 HB2 CYS 11 2HB CYS 11 1.439 2.133 2.175
83 HB3 CYS 11 1HB CYS 11 0.301 2.863 1.026
84 H LYS 12 H LYS 12 4.458 2.842 -1.205
85 HA LYS 12 HA LYS 12 5.775 0.802 -1.446
86 HB2 LYS 12 2HB LYS 12 7.844 1.596 -0.544
87 HB3 LYS 12 1HB LYS 12 6.892 3.048 -0.986
88 HG2 LYS 12 2HG LYS 12 6.332 3.415 1.397
89 HG3 LYS 12 1HG LYS 12 7.176 1.952 1.857
90 HD2 LYS 12 2HD LYS 12 9.218 3.074 0.657
91 HD3 LYS 12 1HD LYS 12 8.274 4.564 0.922
92 HE2 LYS 12 2HE LYS 12 8.082 3.971 3.364
93 HE3 LYS 12 1HE LYS 12 9.059 2.535 3.089
94 HZ1 LYS 12 3HZ LYS 12 9.913 5.308 2.640
95 HZ2 LYS 12 1HZ LYS 12 10.337 4.320 3.932
96 HZ3 LYS 12 2HZ LYS 12 10.847 3.935 2.376
97 H ARG 13 H ARG 13 3.718 0.094 0.535
98 HA ARG 13 HA ARG 13 5.146 -1.562 2.408
99 HB2 ARG 13 2HB ARG 13 2.553 -0.310 2.249
100 HB3 ARG 13 1HB ARG 13 2.234 -2.011 2.240
101 HG2 ARG 13 2HG ARG 13 2.261 -1.600 4.516
102 HG3 ARG 13 1HG ARG 13 3.927 -2.020 4.330
103 HD2 ARG 13 2HD ARG 13 4.409 -0.107 5.289
104 HD3 ARG 13 1HD ARG 13 3.885 0.722 3.811
105 HE ARG 13 HE ARG 13 1.553 0.200 5.153
106 HH11 ARG 13 2HH2 ARG 13 4.433 2.155 5.865
107 HH12 ARG 13 1HH2 ARG 13 3.540 3.191 7.011
108 HH21 ARG 13 2HH1 ARG 13 0.479 1.553 6.624
109 HH22 ARG 13 1HH1 ARG 13 1.388 2.865 7.423
110 H GLU 14 H GLU 14 5.602 -3.570 2.205
111 HA GLU 14 HA GLU 14 4.950 -5.239 -0.137
112 HB2 GLU 14 2HB GLU 14 6.233 -6.931 0.908
113 HB3 GLU 14 1HB GLU 14 7.091 -5.401 0.507
114 HG2 GLU 14 2HG GLU 14 6.191 -5.904 3.354
115 HG3 GLU 14 1HG GLU 14 7.648 -6.662 2.766
116 H PHE 15 H PHE 15 3.229 -6.251 -0.409
117 HA PHE 15 HA PHE 15 1.690 -7.478 1.838
118 HB2 PHE 15 1HB PHE 15 0.815 -6.739 -0.880
119 HB3 PHE 15 2HB PHE 15 -0.131 -7.325 0.316
120 HD1 PHE 15 1HD PHE 15 1.750 -4.402 -0.788
121 HD2 PHE 15 2HD PHE 15 -1.220 -5.969 1.893
122 HE1 PHE 15 1HE PHE 15 1.019 -2.103 -0.258
123 HE2 PHE 15 2HE PHE 15 -1.908 -3.658 2.476
124 HZ PHE 15 HZ PHE 15 -0.703 -1.723 1.475
125 H ARG 16 H ARG 16 0.674 -9.550 1.366
126 HA ARG 16 HA ARG 16 2.231 -11.266 -0.495
127 HB2 ARG 16 2HB ARG 16 0.861 -11.727 2.198
128 HB3 ARG 16 1HB ARG 16 1.156 -13.077 1.133
129 HG2 ARG 16 2HG ARG 16 3.578 -12.532 1.114
130 HG3 ARG 16 1HG ARG 16 3.267 -11.190 2.219
131 HD2 ARG 16 2HD ARG 16 2.216 -13.906 3.017
132 HD3 ARG 16 1HD ARG 16 3.941 -13.630 3.140
133 HE ARG 16 HE ARG 16 3.616 -12.220 4.851
134 HH11 ARG 16 2HH2 ARG 16 0.350 -12.866 3.564
135 HH12 ARG 16 1HH2 ARG 16 -0.419 -12.071 4.964
136 HH21 ARG 16 2HH1 ARG 16 2.582 -11.271 6.573
137 HH22 ARG 16 1HH1 ARG 16 0.800 -11.203 6.607
138 H SER 17 H SER 17 0.397 -9.839 -1.828
139 HA SER 17 HA SER 17 -1.697 -11.780 -2.551
140 HB2 SER 17 2HB SER 17 -2.314 -8.869 -1.805
141 HB3 SER 17 1HB SER 17 -3.459 -10.010 -2.483
142 HG SER 17 HG SER 17 -3.694 -9.894 -0.214
143 H ALA 18 H ALA 18 -2.826 -10.917 -4.661
144 HA ALA 18 HA ALA 18 -1.047 -9.045 -6.200
145 HB1 ALA 18 1HB ALA 18 -1.708 -10.186 -8.188
146 HB2 ALA 18 2HB ALA 18 -0.871 -11.261 -7.043
147 HB3 ALA 18 3HB ALA 18 -2.638 -11.360 -7.227
148 H GLN 19 H GLN 19 -4.398 -10.294 -6.578
149 HA GLN 19 HA GLN 19 -5.475 -7.964 -7.586
150 HB2 GLN 19 2HB GLN 19 -6.306 -10.517 -7.398
151 HB3 GLN 19 1HB GLN 19 -7.117 -9.947 -5.945
152 HG2 GLN 19 2HG GLN 19 -8.592 -8.613 -7.119
153 HG3 GLN 19 1HG GLN 19 -7.464 -8.337 -8.455
154 HE21 GLN 19 2HE2 GLN 19 -8.280 -9.141 -10.260
155 HE22 GLN 19 1HE2 GLN 19 -9.057 -10.738 -10.428
156 H ALA 20 H ALA 20 -5.456 -8.954 -4.109
157 HA ALA 20 HA ALA 20 -6.749 -6.765 -2.977
158 HB1 ALA 20 1HB ALA 20 -5.472 -7.118 -1.022
159 HB2 ALA 20 2HB ALA 20 -6.071 -8.648 -1.704
160 HB3 ALA 20 3HB ALA 20 -4.363 -8.193 -1.904
161 H LEU 21 H LEU 21 -3.314 -6.780 -4.240
162 HA LEU 21 HA LEU 21 -2.760 -4.136 -3.266
163 HB2 LEU 21 2HB LEU 21 -1.333 -5.913 -5.248
164 HB3 LEU 21 1HB LEU 21 -0.889 -4.237 -5.046
165 HG LEU 21 HG LEU 21 -0.944 -4.958 -2.462
166 HD11 LEU 21 1HD1 LEU 21 -0.002 -7.200 -2.241
167 HD12 LEU 21 2HD1 LEU 21 -1.648 -7.231 -2.915
168 HD13 LEU 21 3HD1 LEU 21 -0.245 -7.474 -3.982
169 HD21 LEU 21 3HD2 LEU 21 0.905 -3.894 -3.719
170 HD22 LEU 21 1HD2 LEU 21 1.504 -5.239 -2.721
171 HD23 LEU 21 2HD2 LEU 21 1.293 -5.458 -4.474
172 H GLY 22 H GLY 22 -3.627 -5.425 -6.595
173 HA2 GLY 22 2HA GLY 22 -3.743 -3.061 -8.019
174 HA3 GLY 22 1HA GLY 22 -4.841 -4.414 -8.266
175 H GLY 23 H GLY 23 -6.482 -4.538 -6.145
176 HA2 GLY 23 2HA GLY 23 -8.286 -2.322 -6.244
177 HA3 GLY 23 1HA GLY 23 -8.281 -3.585 -5.052
178 H HIS 24 H HIS 24 -5.658 -3.097 -3.880
179 HA HIS 24 HA HIS 24 -6.528 -1.193 -1.997
180 HB2 HIS 24 2HB HIS 24 -5.346 -2.974 -1.187
181 HB3 HIS 24 1HB HIS 24 -4.016 -2.757 -2.368
182 HD1 HIS 24 1HD HIS 24 -4.550 -2.454 0.989
183 HD2 HIS 24 2HD HIS 24 -2.925 0.133 -1.839
184 HE1 HIS 24 1HE HIS 24 -3.067 -0.744 2.322
185 H MET 25 H MET 25 -4.059 -1.090 -4.634
186 HA MET 25 HA MET 25 -3.121 1.548 -4.344
187 HB2 MET 25 2HB MET 25 -2.318 -0.426 -5.846
188 HB3 MET 25 1HB MET 25 -3.485 0.178 -7.005
189 HG2 MET 25 2HG MET 25 -2.370 2.345 -7.110
190 HG3 MET 25 1HG MET 25 -1.345 1.960 -5.754
191 HE1 MET 25 3HE MET 25 0.600 2.837 -7.294
192 HE2 MET 25 1HE MET 25 0.994 2.144 -8.885
193 HE3 MET 25 2HE MET 25 -0.528 3.037 -8.656
194 H ASN 26 H ASN 26 -5.963 0.351 -6.253
195 HA ASN 26 HA ASN 26 -6.811 2.922 -7.108
196 HB2 ASN 26 2HB ASN 26 -7.531 0.554 -7.959
197 HB3 ASN 26 1HB ASN 26 -8.637 0.527 -6.596
198 HD21 ASN 26 2HD2 ASN 26 -10.627 0.957 -7.228
199 HD22 ASN 26 1HD2 ASN 26 -11.086 2.216 -8.406
200 H VAL 27 H VAL 27 -7.586 1.231 -4.024
201 HA VAL 27 HA VAL 27 -9.417 3.164 -3.126
202 HB VAL 27 HB VAL 27 -8.981 0.841 -2.324
203 HG11 VAL 27 1HG1 VAL 27 -7.928 0.696 -0.125
204 HG12 VAL 27 2HG1 VAL 27 -6.730 1.065 -1.388
205 HG13 VAL 27 3HG1 VAL 27 -7.303 2.353 -0.302
206 HG21 VAL 27 3HG2 VAL 27 -10.832 2.200 -1.768
207 HG22 VAL 27 1HG2 VAL 27 -10.210 1.397 -0.307
208 HG23 VAL 27 2HG2 VAL 27 -9.866 3.120 -0.590
209 H HIS 28 H HIS 28 -5.905 3.495 -3.400
210 HA HIS 28 HA HIS 28 -5.336 5.336 -1.471
211 HB2 HIS 28 2HB HIS 28 -4.286 5.015 -4.249
212 HB3 HIS 28 1HB HIS 28 -3.628 6.186 -3.063
213 HD1 HIS 28 1HD HIS 28 -4.070 4.165 -0.672
214 HD2 HIS 28 2HD HIS 28 -1.950 3.460 -4.186
215 HE1 HIS 28 1HE HIS 28 -2.351 2.256 -0.124
216 H ARG 29 H ARG 29 -6.077 7.372 -1.004
217 HA ARG 29 HA ARG 29 -6.318 9.546 -2.908
218 HB2 ARG 29 2HB ARG 29 -8.764 7.987 -2.475
219 HB3 ARG 29 1HB ARG 29 -8.900 9.670 -1.977
220 HG2 ARG 29 2HG ARG 29 -8.220 10.453 -4.159
221 HG3 ARG 29 1HG ARG 29 -7.783 8.816 -4.673
222 HD2 ARG 29 2HD ARG 29 -9.932 8.337 -5.235
223 HD3 ARG 29 1HD ARG 29 -10.546 8.925 -3.686
224 HE ARG 29 HE ARG 29 -10.501 10.302 -6.183
225 HH11 ARG 29 2HH2 ARG 29 -10.392 10.914 -2.684
226 HH12 ARG 29 1HH2 ARG 29 -11.021 12.573 -2.865
227 HH21 ARG 29 2HH1 ARG 29 -11.317 12.417 -6.355
228 HH22 ARG 29 1HH1 ARG 29 -11.529 13.396 -4.879
229 H ARG 30 H ARG 30 -4.981 10.581 -1.606
230 HA ARG 30 HA ARG 30 -4.273 11.911 0.141
231 HB2 ARG 30 2HB ARG 30 -7.230 11.986 0.797
232 HB3 ARG 30 1HB ARG 30 -5.957 13.033 1.506
233 HG2 ARG 30 2HG ARG 30 -6.704 13.020 -1.455
234 HG3 ARG 30 1HG ARG 30 -7.327 14.171 -0.288
235 HD2 ARG 30 2HD ARG 30 -4.880 14.714 0.256
236 HD3 ARG 30 1HD ARG 30 -4.490 13.812 -1.230
237 HE ARG 30 HE ARG 30 -6.528 15.520 -1.950
238 HH11 ARG 30 2HH2 ARG 30 -3.180 15.906 -0.841
239 HH12 ARG 30 1HH2 ARG 30 -3.047 17.544 -1.534
240 HH21 ARG 30 2HH1 ARG 30 -6.315 17.624 -2.791
241 HH22 ARG 30 1HH1 ARG 30 -4.764 18.485 -2.603
242 H ASP 31 H ASP 31 -3.951 12.079 2.459
243 HA ASP 31 HA ASP 31 -3.983 9.571 3.933
244 HB2 ASP 31 2HB ASP 31 -3.212 10.807 5.786
245 HB3 ASP 31 1HB ASP 31 -2.211 10.889 4.302
246 H ARG 32 H ARG 32 -5.766 12.641 4.622
247 HA ARG 32 HA ARG 32 -7.492 13.063 6.090
248 HB2 ARG 32 2HB ARG 32 -9.563 12.439 5.105
249 HB3 ARG 32 1HB ARG 32 -8.407 12.683 3.759
250 HG2 ARG 32 2HG ARG 32 -8.228 10.307 3.386
251 HG3 ARG 32 1HG ARG 32 -9.066 9.930 4.885
252 HD2 ARG 32 2HD ARG 32 -10.964 11.386 3.808
253 HD3 ARG 32 1HD ARG 32 -10.108 10.900 2.292
254 HE ARG 32 HE ARG 32 -10.273 8.638 3.928
255 HH11 ARG 32 2HH2 ARG 32 -12.527 10.521 1.942
256 HH12 ARG 32 1HH2 ARG 32 -13.725 9.201 1.895
257 HH21 ARG 32 2HH1 ARG 32 -11.802 6.984 3.821
258 HH22 ARG 32 1HH1 ARG 32 -13.324 7.249 2.929
259 H ALA 33 H ALA 33 -5.854 11.413 7.437
260 HA ALA 33 HA ALA 33 -7.582 10.183 9.352
261 HB1 ALA 33 1HB ALA 33 -6.643 7.888 9.062
262 HB2 ALA 33 2HB ALA 33 -7.567 8.400 7.630
263 HB3 ALA 33 3HB ALA 33 -5.788 8.433 7.599
264 H ARG 34 H ARG 34 -5.870 8.796 10.837
265 HA ARG 34 HA ARG 34 -3.838 10.615 11.811
266 HB2 ARG 34 2HB ARG 34 -3.954 7.719 12.563
267 HB3 ARG 34 1HB ARG 34 -3.634 9.171 13.575
268 HG2 ARG 34 2HG ARG 34 -5.648 8.602 14.412
269 HG3 ARG 34 1HG ARG 34 -6.208 9.596 13.036
270 HD2 ARG 34 2HD ARG 34 -5.890 7.138 11.813
271 HD3 ARG 34 1HD ARG 34 -6.378 6.627 13.428
272 HE ARG 34 HE ARG 34 -8.131 8.649 12.711
273 HH11 ARG 34 2HH2 ARG 34 -7.357 5.361 11.596
274 HH12 ARG 34 1HH2 ARG 34 -8.987 5.123 10.911
275 HH21 ARG 34 2HH1 ARG 34 -10.173 8.295 11.787
276 HH22 ARG 34 1HH1 ARG 34 -10.524 6.725 11.016
277 H LEU 35 H LEU 35 -1.989 8.241 12.355
278 HA LEU 35 HA LEU 35 -0.072 7.281 11.568
279 HB2 LEU 35 2HB LEU 35 -0.879 7.879 8.749
280 HB3 LEU 35 1HB LEU 35 0.274 6.656 9.377
281 HG LEU 35 HG LEU 35 -2.722 6.522 9.933
282 HD11 LEU 35 1HD1 LEU 35 -2.845 4.925 8.109
283 HD12 LEU 35 2HD1 LEU 35 -2.361 6.532 7.517
284 HD13 LEU 35 3HD1 LEU 35 -1.145 5.244 7.690
285 HD21 LEU 35 3HD2 LEU 35 -1.270 5.235 11.448
286 HD22 LEU 35 1HD2 LEU 35 -2.246 4.190 10.389
287 HD23 LEU 35 2HD2 LEU 35 -0.519 4.445 10.042
288 H ARG 36 H ARG 36 1.768 8.292 11.913
289 HA ARG 36 HA ARG 36 2.096 11.041 11.715
290 HB2 ARG 36 2HB ARG 36 3.342 9.110 13.117
291 HB3 ARG 36 1HB ARG 36 4.444 9.063 11.761
292 HG2 ARG 36 2HG ARG 36 5.191 11.255 12.122
293 HG3 ARG 36 1HG ARG 36 3.794 11.664 13.140
294 HD2 ARG 36 2HD ARG 36 5.072 9.357 14.265
295 HD3 ARG 36 1HD ARG 36 6.322 10.589 13.937
296 HE ARG 36 HE ARG 36 4.212 11.978 15.043
297 HH11 ARG 36 2HH2 ARG 36 6.093 9.219 16.266
298 HH12 ARG 36 1HH2 ARG 36 5.975 9.787 17.953
299 HH21 ARG 36 2HH1 ARG 36 4.043 12.610 17.203
300 HH22 ARG 36 1HH1 ARG 36 4.850 11.642 18.466
301 H LEU 37 H LEU 37 3.440 8.600 9.443
302 HA LEU 37 HA LEU 37 3.569 10.753 7.354
303 HB2 LEU 37 2HB LEU 37 5.498 8.442 7.768
304 HB3 LEU 37 1HB LEU 37 5.467 9.498 6.376
305 HG LEU 37 HG LEU 37 5.532 11.116 8.770
306 HD11 LEU 37 1HD1 LEU 37 7.681 10.402 9.651
307 HD12 LEU 37 2HD1 LEU 37 6.433 9.153 9.872
308 HD13 LEU 37 3HD1 LEU 37 7.654 8.974 8.590
309 HD21 LEU 37 3HD2 LEU 37 6.263 11.801 6.510
310 HD22 LEU 37 1HD2 LEU 37 7.581 11.943 7.698
311 HD23 LEU 37 2HD2 LEU 37 7.552 10.575 6.560
312 HN1 NH2 38 3HN NH2 38 2.657 6.898 6.252
313 HN2 NH2 38 2HN NH2 38 3.358 7.197 7.807
Start of MODEL 2
1 H1 ACE 0 2H1 ACE 0 10.824 -1.953 -8.565
2 H2 ACE 0 3H1 ACE 0 10.695 -0.684 -7.323
3 H3 ACE 0 1H1 ACE 0 11.806 -2.055 -7.084
4 H TRP 1 H TRP 1 10.607 -4.249 -7.452
5 HA TRP 1 HA TRP 1 8.958 -4.725 -5.250
6 HB2 TRP 1 2HB TRP 1 6.763 -5.087 -6.619
7 HB3 TRP 1 1HB TRP 1 7.142 -3.482 -5.919
8 HD1 TRP 1 HD TRP 1 9.037 -4.279 -8.972
9 HE1 TRP 1 1HE TRP 1 8.055 -2.987 -11.092
10 HE3 TRP 1 3HE TRP 1 4.643 -2.906 -7.002
11 HZ2 TRP 1 2HZ TRP 1 5.646 -1.589 -11.639
12 HZ3 TRP 1 3HZ TRP 1 3.334 -1.206 -8.000
13 HH2 TRP 1 HH TRP 1 3.695 -0.561 -10.453
14 HA PRO 2 HA PRO 2 10.023 -8.798 -6.670
15 HB2 PRO 2 2HB PRO 2 8.613 -10.227 -4.875
16 HB3 PRO 2 1HB PRO 2 10.033 -9.307 -4.382
17 HG2 PRO 2 2HG PRO 2 7.090 -8.496 -4.163
18 HG3 PRO 2 1HG PRO 2 8.327 -8.423 -2.915
19 HD2 PRO 2 1HD PRO 2 7.749 -6.193 -4.491
20 HD3 PRO 2 2HD PRO 2 9.469 -6.538 -4.000
21 HA PRO 3 HA PRO 3 6.795 -10.177 -9.344
22 HB2 PRO 3 2HB PRO 3 7.308 -12.869 -9.547
23 HB3 PRO 3 1HB PRO 3 8.285 -11.643 -10.353
24 HG2 PRO 3 2HG PRO 3 8.820 -13.035 -7.682
25 HG3 PRO 3 1HG PRO 3 9.943 -12.771 -9.014
26 HD2 PRO 3 1HD PRO 3 9.840 -11.006 -6.840
27 HD3 PRO 3 2HD PRO 3 10.115 -10.357 -8.527
28 H ARG 4 H ARG 4 7.211 -11.984 -6.274
29 HA ARG 4 HA ARG 4 4.385 -12.841 -6.218
30 HB2 ARG 4 2HB ARG 4 5.054 -13.934 -4.126
31 HB3 ARG 4 1HB ARG 4 6.077 -14.451 -5.503
32 HG2 ARG 4 2HG ARG 4 7.984 -13.404 -4.631
33 HG3 ARG 4 1HG ARG 4 7.062 -12.214 -3.726
34 HD2 ARG 4 2HD ARG 4 6.243 -14.562 -2.581
35 HD3 ARG 4 1HD ARG 4 7.969 -14.873 -2.977
36 HE ARG 4 HE ARG 4 7.716 -12.259 -1.919
37 HH11 ARG 4 2HH2 ARG 4 7.415 -15.562 -0.639
38 HH12 ARG 4 1HH2 ARG 4 7.880 -15.051 1.005
39 HH21 ARG 4 2HH1 ARG 4 8.302 -11.670 0.179
40 HH22 ARG 4 1HH1 ARG 4 8.366 -12.917 1.454
41 H SER 5 H SER 5 2.835 -11.831 -5.200
42 HA SER 5 HA SER 5 1.649 -10.160 -4.068
43 HB2 SER 5 2HB SER 5 3.883 -10.722 -2.245
44 HB3 SER 5 1HB SER 5 3.094 -9.155 -2.067
45 HG SER 5 HG SER 5 2.123 -10.901 -0.835
46 H TYR 6 H TYR 6 1.209 -8.078 -4.047
47 HA TYR 6 HA TYR 6 3.468 -6.162 -4.774
48 HB2 TYR 6 1HB TYR 6 0.778 -6.205 -5.966
49 HB3 TYR 6 2HB TYR 6 1.818 -4.952 -6.082
50 HD1 TYR 6 1HD TYR 6 4.207 -5.447 -7.035
51 HD2 TYR 6 2HD TYR 6 0.733 -7.906 -7.596
52 HE1 TYR 6 1HE TYR 6 5.164 -6.298 -9.139
53 HE2 TYR 6 2HE TYR 6 1.677 -8.769 -9.704
54 HH TYR 6 HH TYR 6 4.505 -8.687 -10.929
55 H THR 7 H THR 7 3.546 -4.197 -4.138
56 HA THR 7 HA THR 7 2.420 -3.615 -1.517
57 HB THR 7 HB THR 7 3.791 -1.541 -1.731
58 HG1 THR 7 1HG THR 7 5.220 -1.461 -3.590
59 HG21 THR 7 3HG2 THR 7 5.291 -4.077 -2.435
60 HG22 THR 7 1HG2 THR 7 5.969 -2.599 -1.711
61 HG23 THR 7 2HG2 THR 7 4.801 -3.582 -0.797
62 H CYS 8 H CYS 8 1.284 -1.532 -1.084
63 HA CYS 8 HA CYS 8 -0.627 -0.950 -3.219
64 HB2 CYS 8 2HB CYS 8 -1.025 -1.536 -0.572
65 HB3 CYS 8 1HB CYS 8 -1.134 0.235 -0.596
66 H SER 9 H SER 9 2.340 0.143 -2.350
67 HA SER 9 HA SER 9 3.614 2.054 -2.213
68 HB2 SER 9 2HB SER 9 3.344 3.828 -3.372
69 HB3 SER 9 1HB SER 9 2.529 2.547 -4.325
70 HG SER 9 HG SER 9 0.680 3.599 -4.192
71 H PHE 10 H PHE 10 0.296 3.152 -1.408
72 HA PHE 10 HA PHE 10 1.010 4.912 0.592
73 HB2 PHE 10 1HB PHE 10 -1.255 3.842 -0.586
74 HB3 PHE 10 2HB PHE 10 -1.500 3.678 1.020
75 HD1 PHE 10 2HD PHE 10 -1.650 5.672 2.534
76 HD2 PHE 10 1HD PHE 10 -1.702 5.778 -1.755
77 HE1 PHE 10 2HE PHE 10 -2.872 7.831 2.602
78 HE2 PHE 10 1HE PHE 10 -2.930 7.927 -1.693
79 HZ PHE 10 HZ PHE 10 -3.501 8.967 0.487
80 H CYS 11 H CYS 11 -0.150 1.406 1.184
81 HA CYS 11 HA CYS 11 0.893 1.841 3.888
82 HB2 CYS 11 2HB CYS 11 -0.342 -0.188 4.484
83 HB3 CYS 11 1HB CYS 11 -1.399 1.061 3.799
84 H LYS 12 H LYS 12 2.844 1.329 1.641
85 HA LYS 12 HA LYS 12 3.428 -0.581 0.019
86 HB2 LYS 12 2HB LYS 12 5.651 -0.515 0.883
87 HB3 LYS 12 1HB LYS 12 4.918 1.050 1.368
88 HG2 LYS 12 2HG LYS 12 4.500 -0.045 3.669
89 HG3 LYS 12 1HG LYS 12 5.547 -1.344 3.148
90 HD2 LYS 12 2HD LYS 12 7.133 0.790 2.538
91 HD3 LYS 12 1HD LYS 12 6.226 1.438 3.902
92 HE2 LYS 12 2HE LYS 12 8.005 0.396 4.979
93 HE3 LYS 12 1HE LYS 12 6.794 -0.893 5.024
94 HZ1 LYS 12 3HZ LYS 12 8.921 -0.594 3.005
95 HZ2 LYS 12 1HZ LYS 12 8.905 -1.689 4.282
96 HZ3 LYS 12 2HZ LYS 12 7.770 -1.819 3.048
97 H ARG 13 H ARG 13 1.377 -1.788 1.861
98 HA ARG 13 HA ARG 13 2.509 -4.204 2.781
99 HB2 ARG 13 2HB ARG 13 0.215 -2.876 3.387
100 HB3 ARG 13 1HB ARG 13 -0.462 -3.900 2.168
101 HG2 ARG 13 2HG ARG 13 0.689 -5.829 3.477
102 HG3 ARG 13 1HG ARG 13 0.727 -4.626 4.791
103 HD2 ARG 13 2HD ARG 13 -1.777 -4.201 4.032
104 HD3 ARG 13 1HD ARG 13 -1.626 -5.864 3.383
105 HE ARG 13 HE ARG 13 -2.163 -5.133 6.005
106 HH11 ARG 13 2HH2 ARG 13 -0.101 -7.563 4.405
107 HH12 ARG 13 1HH2 ARG 13 -0.125 -8.614 5.847
108 HH21 ARG 13 2HH1 ARG 13 -2.161 -6.495 7.752
109 HH22 ARG 13 1HH1 ARG 13 -1.255 -8.030 7.677
110 H GLU 14 H GLU 14 2.766 -6.065 1.890
111 HA GLU 14 HA GLU 14 2.436 -6.564 -0.966
112 HB2 GLU 14 2HB GLU 14 3.581 -8.112 1.369
113 HB3 GLU 14 1HB GLU 14 3.494 -8.747 -0.273
114 HG2 GLU 14 2HG GLU 14 4.975 -7.069 -1.117
115 HG3 GLU 14 1HG GLU 14 4.795 -6.063 0.319
116 H PHE 15 H PHE 15 0.468 -6.875 -1.698
117 HA PHE 15 HA PHE 15 -1.306 -8.900 -0.409
118 HB2 PHE 15 1HB PHE 15 -1.855 -6.950 -2.553
119 HB3 PHE 15 2HB PHE 15 -2.941 -7.960 -1.871
120 HD1 PHE 15 1HD PHE 15 -3.837 -7.629 0.379
121 HD2 PHE 15 2HD PHE 15 -1.089 -4.892 -1.480
122 HE1 PHE 15 1HE PHE 15 -4.327 -5.941 2.131
123 HE2 PHE 15 2HE PHE 15 -1.623 -3.193 0.241
124 HZ PHE 15 HZ PHE 15 -3.103 -3.777 2.120
125 H ARG 16 H ARG 16 -1.550 -10.833 -1.235
126 HA ARG 16 HA ARG 16 -0.504 -11.579 -3.824
127 HB2 ARG 16 2HB ARG 16 -0.794 -12.895 -1.444
128 HB3 ARG 16 1HB ARG 16 -2.315 -13.377 -2.190
129 HG2 ARG 16 2HG ARG 16 -0.735 -13.987 -4.282
130 HG3 ARG 16 1HG ARG 16 0.507 -14.049 -3.072
131 HD2 ARG 16 2HD ARG 16 -2.049 -15.627 -3.108
132 HD3 ARG 16 1HD ARG 16 -0.378 -16.200 -3.416
133 HE ARG 16 HE ARG 16 -1.714 -15.953 -0.927
134 HH11 ARG 16 2HH2 ARG 16 1.584 -15.699 -2.254
135 HH12 ARG 16 1HH2 ARG 16 2.317 -16.116 -0.682
136 HH21 ARG 16 2HH1 ARG 16 -0.727 -16.483 1.007
137 HH22 ARG 16 1HH1 ARG 16 1.054 -16.545 1.100
138 H SER 17 H SER 17 -2.213 -9.595 -4.345
139 HA SER 17 HA SER 17 -4.582 -10.726 -5.718
140 HB2 SER 17 2HB SER 17 -4.729 -8.938 -3.319
141 HB3 SER 17 1HB SER 17 -5.940 -8.858 -4.626
142 HG SER 17 HG SER 17 -5.154 -11.372 -3.441
143 H ALA 18 H ALA 18 -5.596 -9.310 -7.131
144 HA ALA 18 HA ALA 18 -3.960 -6.960 -8.018
145 HB1 ALA 18 1HB ALA 18 -4.780 -7.397 -10.230
146 HB2 ALA 18 2HB ALA 18 -3.860 -8.772 -9.574
147 HB3 ALA 18 3HB ALA 18 -5.637 -8.842 -9.644
148 H GLN 19 H GLN 19 -7.368 -8.011 -8.695
149 HA GLN 19 HA GLN 19 -8.589 -5.512 -8.566
150 HB2 GLN 19 2HB GLN 19 -10.661 -6.721 -8.118
151 HB3 GLN 19 1HB GLN 19 -9.700 -7.478 -9.436
152 HG2 GLN 19 2HG GLN 19 -9.808 -8.606 -6.590
153 HG3 GLN 19 1HG GLN 19 -10.854 -9.144 -7.862
154 HE21 GLN 19 2HE2 GLN 19 -8.527 -10.282 -6.203
155 HE22 GLN 19 1HE2 GLN 19 -7.541 -11.092 -7.449
156 H ALA 20 H ALA 20 -8.326 -7.722 -5.784
157 HA ALA 20 HA ALA 20 -9.419 -6.016 -3.797
158 HB1 ALA 20 1HB ALA 20 -8.351 -7.463 -2.250
159 HB2 ALA 20 2HB ALA 20 -9.167 -8.384 -3.536
160 HB3 ALA 20 3HB ALA 20 -7.396 -8.207 -3.555
161 H LEU 21 H LEU 21 -6.228 -5.809 -5.342
162 HA LEU 21 HA LEU 21 -5.010 -4.308 -3.121
163 HB2 LEU 21 2HB LEU 21 -3.933 -6.082 -4.645
164 HB3 LEU 21 1HB LEU 21 -3.922 -4.776 -5.879
165 HG LEU 21 HG LEU 21 -2.568 -4.414 -3.161
166 HD11 LEU 21 1HD1 LEU 21 -0.532 -5.105 -4.335
167 HD12 LEU 21 2HD1 LEU 21 -1.707 -6.441 -4.340
168 HD13 LEU 21 3HD1 LEU 21 -1.471 -5.459 -5.805
169 HD21 LEU 21 3HD2 LEU 21 -2.995 -2.376 -4.439
170 HD22 LEU 21 1HD2 LEU 21 -1.268 -2.780 -4.294
171 HD23 LEU 21 2HD2 LEU 21 -2.128 -3.084 -5.822
172 H GLY 22 H GLY 22 -5.809 -3.741 -6.671
173 HA2 GLY 22 2HA GLY 22 -5.385 -0.974 -6.778
174 HA3 GLY 22 1HA GLY 22 -6.538 -1.848 -7.759
175 H GLY 23 H GLY 23 -8.521 -2.689 -6.035
176 HA2 GLY 23 2HA GLY 23 -10.051 -0.416 -5.298
177 HA3 GLY 23 1HA GLY 23 -10.302 -2.038 -4.724
178 H HIS 24 H HIS 24 -7.766 -2.387 -3.324
179 HA HIS 24 HA HIS 24 -8.585 -1.294 -0.862
180 HB2 HIS 24 2HB HIS 24 -7.655 -3.368 -0.778
181 HB3 HIS 24 1HB HIS 24 -6.237 -2.887 -1.761
182 HD1 HIS 24 1HD HIS 24 -6.944 -3.831 1.441
183 HD2 HIS 24 2HD HIS 24 -4.867 -0.586 -0.133
184 HE1 HIS 24 1HE HIS 24 -5.367 -2.969 3.357
185 H MET 25 H MET 25 -5.915 -0.503 -3.132
186 HA MET 25 HA MET 25 -4.717 1.710 -1.925
187 HB2 MET 25 2HB MET 25 -4.527 0.287 -4.248
188 HB3 MET 25 1HB MET 25 -5.228 1.831 -4.826
189 HG2 MET 25 2HG MET 25 -2.753 1.637 -3.112
190 HG3 MET 25 1HG MET 25 -2.737 1.680 -4.909
191 HE1 MET 25 3HE MET 25 -2.469 3.644 -6.213
192 HE2 MET 25 1HE MET 25 -1.896 5.137 -5.433
193 HE3 MET 25 2HE MET 25 -1.119 3.581 -5.055
194 H ASN 26 H ASN 26 -7.629 1.678 -4.062
195 HA ASN 26 HA ASN 26 -8.123 4.470 -3.932
196 HB2 ASN 26 2HB ASN 26 -9.085 2.630 -5.566
197 HB3 ASN 26 1HB ASN 26 -10.260 2.311 -4.308
198 HD21 ASN 26 2HD2 ASN 26 -9.199 4.466 -6.804
199 HD22 ASN 26 1HD2 ASN 26 -10.582 5.589 -6.709
200 H VAL 27 H VAL 27 -9.332 1.824 -1.794
201 HA VAL 27 HA VAL 27 -10.967 3.424 -0.198
202 HB VAL 27 HB VAL 27 -10.806 0.937 -0.447
203 HG11 VAL 27 1HG1 VAL 27 -9.953 -0.231 1.522
204 HG12 VAL 27 2HG1 VAL 27 -8.627 0.490 0.578
205 HG13 VAL 27 3HG1 VAL 27 -9.170 1.265 2.085
206 HG21 VAL 27 3HG2 VAL 27 -12.572 2.136 0.559
207 HG22 VAL 27 1HG2 VAL 27 -12.141 0.734 1.567
208 HG23 VAL 27 2HG2 VAL 27 -11.631 2.369 2.051
209 H HIS 28 H HIS 28 -7.421 3.420 -0.181
210 HA HIS 28 HA HIS 28 -6.831 4.273 2.308
211 HB2 HIS 28 2HB HIS 28 -5.693 5.082 -0.332
212 HB3 HIS 28 1HB HIS 28 -5.018 5.609 1.241
213 HD1 HIS 28 1HD HIS 28 -5.551 2.880 2.642
214 HD2 HIS 28 2HD HIS 28 -3.558 3.422 -0.974
215 HE1 HIS 28 1HE HIS 28 -3.988 0.792 2.344
216 H ARG 29 H ARG 29 -6.918 6.187 3.490
217 HA ARG 29 HA ARG 29 -7.466 8.845 2.443
218 HB2 ARG 29 2HB ARG 29 -9.823 7.263 3.080
219 HB3 ARG 29 1HB ARG 29 -9.635 8.587 4.208
220 HG2 ARG 29 2HG ARG 29 -9.291 10.112 2.205
221 HG3 ARG 29 1HG ARG 29 -9.792 8.739 1.196
222 HD2 ARG 29 2HD ARG 29 -11.878 8.596 2.761
223 HD3 ARG 29 1HD ARG 29 -11.420 10.204 3.315
224 HE ARG 29 HE ARG 29 -12.511 9.440 0.764
225 HH11 ARG 29 2HH2 ARG 29 -10.641 12.064 2.290
226 HH12 ARG 29 1HH2 ARG 29 -11.224 13.258 1.101
227 HH21 ARG 29 2HH1 ARG 29 -13.204 10.985 -0.684
228 HH22 ARG 29 1HH1 ARG 29 -12.627 12.666 -0.531
229 H ARG 30 H ARG 30 -5.664 9.451 3.544
230 HA ARG 30 HA ARG 30 -6.118 9.903 6.449
231 HB2 ARG 30 2HB ARG 30 -3.814 8.376 5.311
232 HB3 ARG 30 1HB ARG 30 -3.417 9.654 6.437
233 HG2 ARG 30 2HG ARG 30 -3.732 7.827 7.889
234 HG3 ARG 30 1HG ARG 30 -5.317 8.523 7.950
235 HD2 ARG 30 2HD ARG 30 -5.526 6.799 5.790
236 HD3 ARG 30 1HD ARG 30 -4.458 5.949 6.911
237 HE ARG 30 HE ARG 30 -7.238 6.618 7.254
238 HH11 ARG 30 2HH2 ARG 30 -4.329 5.938 9.193
239 HH12 ARG 30 1HH2 ARG 30 -5.296 5.330 10.564
240 HH21 ARG 30 2HH1 ARG 30 -8.395 5.799 9.010
241 HH22 ARG 30 1HH1 ARG 30 -7.516 5.256 10.464
242 H ASP 31 H ASP 31 -5.522 11.654 7.290
243 HA ASP 31 HA ASP 31 -4.564 13.872 5.573
244 HB2 ASP 31 2HB ASP 31 -6.188 13.645 8.059
245 HB3 ASP 31 1HB ASP 31 -5.028 14.971 8.027
246 H ARG 32 H ARG 32 -2.957 15.361 6.813
247 HA ARG 32 HA ARG 32 -0.704 15.608 7.338
248 HB2 ARG 32 2HB ARG 32 -0.162 15.285 9.551
249 HB3 ARG 32 1HB ARG 32 -1.935 15.607 9.566
250 HG2 ARG 32 2HG ARG 32 -0.961 12.793 9.649
251 HG3 ARG 32 1HG ARG 32 -0.851 13.812 11.120
252 HD2 ARG 32 2HD ARG 32 -3.477 13.585 9.645
253 HD3 ARG 32 1HD ARG 32 -2.970 12.298 10.739
254 HE ARG 32 HE ARG 32 -2.579 14.577 12.183
255 HH11 ARG 32 2HH2 ARG 32 -5.427 13.504 10.358
256 HH12 ARG 32 1HH2 ARG 32 -6.555 14.070 11.620
257 HH21 ARG 32 2HH1 ARG 32 -4.047 15.324 13.725
258 HH22 ARG 32 1HH1 ARG 32 -5.795 15.075 13.469
259 H ALA 33 H ALA 33 1.021 13.825 8.769
260 HA ALA 33 HA ALA 33 2.661 12.378 8.333
261 HB1 ALA 33 1HB ALA 33 2.068 10.193 7.451
262 HB2 ALA 33 2HB ALA 33 0.961 10.766 8.721
263 HB3 ALA 33 3HB ALA 33 0.459 10.817 7.014
264 H ARG 34 H ARG 34 4.371 12.054 7.066
265 HA ARG 34 HA ARG 34 4.205 12.230 4.149
266 HB2 ARG 34 2HB ARG 34 5.156 14.472 5.869
267 HB3 ARG 34 1HB ARG 34 6.251 13.993 4.557
268 HG2 ARG 34 2HG ARG 34 3.364 14.211 3.785
269 HG3 ARG 34 1HG ARG 34 4.143 15.728 4.205
270 HD2 ARG 34 2HD ARG 34 5.522 13.817 2.358
271 HD3 ARG 34 1HD ARG 34 4.188 14.866 1.772
272 HE ARG 34 HE ARG 34 5.887 16.467 3.302
273 HH11 ARG 34 2HH2 ARG 34 6.608 14.512 0.434
274 HH12 ARG 34 1HH2 ARG 34 7.672 15.770 -0.251
275 HH21 ARG 34 2HH1 ARG 34 7.286 17.986 2.434
276 HH22 ARG 34 1HH1 ARG 34 8.049 17.676 0.851
277 H LEU 35 H LEU 35 4.725 10.256 4.020
278 HA LEU 35 HA LEU 35 6.068 8.386 3.750
279 HB2 LEU 35 2HB LEU 35 8.256 10.372 4.078
280 HB3 LEU 35 1HB LEU 35 8.473 8.620 3.747
281 HG LEU 35 HG LEU 35 6.979 9.051 1.686
282 HD11 LEU 35 1HD1 LEU 35 7.082 11.264 0.706
283 HD12 LEU 35 2HD1 LEU 35 6.148 11.254 2.221
284 HD13 LEU 35 3HD1 LEU 35 7.804 11.905 2.202
285 HD21 LEU 35 3HD2 LEU 35 9.408 8.547 1.621
286 HD22 LEU 35 1HD2 LEU 35 8.979 9.758 0.390
287 HD23 LEU 35 2HD2 LEU 35 9.773 10.267 1.899
288 H ARG 36 H ARG 36 6.706 6.668 4.922
289 HA ARG 36 HA ARG 36 6.894 7.006 7.861
290 HB2 ARG 36 2HB ARG 36 6.029 4.926 6.008
291 HB3 ARG 36 1HB ARG 36 7.155 4.340 7.273
292 HG2 ARG 36 2HG ARG 36 5.669 5.696 8.949
293 HG3 ARG 36 1HG ARG 36 4.478 5.782 7.659
294 HD2 ARG 36 2HD ARG 36 4.024 3.514 7.727
295 HD3 ARG 36 1HD ARG 36 5.622 3.100 8.385
296 HE ARG 36 HE ARG 36 3.260 3.779 9.847
297 HH11 ARG 36 2HH2 ARG 36 6.808 3.965 10.089
298 HH12 ARG 36 1HH2 ARG 36 6.759 4.122 11.865
299 HH21 ARG 36 2HH1 ARG 36 3.274 3.946 12.111
300 HH22 ARG 36 1HH1 ARG 36 4.830 4.110 12.968
301 H LEU 37 H LEU 37 8.583 7.704 8.635
302 HA LEU 37 HA LEU 37 10.979 6.015 8.460
303 HB2 LEU 37 2HB LEU 37 12.510 7.637 7.897
304 HB3 LEU 37 1HB LEU 37 11.199 7.668 6.661
305 HG LEU 37 HG LEU 37 11.434 9.759 8.876
306 HD11 LEU 37 1HD1 LEU 37 12.462 11.151 7.170
307 HD12 LEU 37 2HD1 LEU 37 13.470 9.718 7.485
308 HD13 LEU 37 3HD1 LEU 37 12.459 9.791 6.022
309 HD21 LEU 37 3HD2 LEU 37 9.213 9.550 7.860
310 HD22 LEU 37 1HD2 LEU 37 10.035 11.074 7.447
311 HD23 LEU 37 2HD2 LEU 37 9.946 9.758 6.252
312 HN1 NH2 38 3HN NH2 38 9.654 6.388 8.781
313 HN2 NH2 38 2HN NH2 38 11.354 6.059 8.726
Start of MODEL 3
1 H1 ACE 0 2H1 ACE 0 6.125 -12.537 -14.044
2 H2 ACE 0 3H1 ACE 0 7.180 -13.900 -13.602
3 H3 ACE 0 1H1 ACE 0 5.428 -14.150 -13.776
4 H TRP 1 H TRP 1 4.398 -11.990 -12.517
5 HA TRP 1 HA TRP 1 5.383 -11.183 -10.028
6 HB2 TRP 1 2HB TRP 1 3.210 -10.761 -9.369
7 HB3 TRP 1 1HB TRP 1 3.100 -10.719 -11.157
8 HD1 TRP 1 HD TRP 1 2.370 -13.273 -12.131
9 HE1 TRP 1 1HE TRP 1 0.407 -14.867 -11.278
10 HE3 TRP 1 3HE TRP 1 2.037 -11.552 -7.442
11 HZ2 TRP 1 2HZ TRP 1 -0.991 -15.178 -8.827
12 HZ3 TRP 1 3HZ TRP 1 0.145 -12.015 -6.098
13 HH2 TRP 1 HH TRP 1 -1.401 -13.979 -6.669
14 HA PRO 2 HA PRO 2 6.234 -15.329 -8.348
15 HB2 PRO 2 2HB PRO 2 8.144 -14.494 -6.613
16 HB3 PRO 2 1HB PRO 2 8.502 -14.756 -8.319
17 HG2 PRO 2 2HG PRO 2 7.867 -12.119 -6.906
18 HG3 PRO 2 1HG PRO 2 9.176 -12.459 -8.034
19 HD2 PRO 2 1HD PRO 2 6.765 -11.328 -8.907
20 HD3 PRO 2 2HD PRO 2 7.643 -12.537 -9.958
21 HA PRO 3 HA PRO 3 3.676 -14.762 -4.701
22 HB2 PRO 3 2HB PRO 3 3.808 -17.229 -3.656
23 HB3 PRO 3 1HB PRO 3 2.943 -16.921 -5.161
24 HG2 PRO 3 2HG PRO 3 5.785 -18.001 -4.801
25 HG3 PRO 3 1HG PRO 3 4.508 -18.633 -5.838
26 HD2 PRO 3 1HD PRO 3 6.465 -16.850 -6.805
27 HD3 PRO 3 2HD PRO 3 4.755 -16.801 -7.447
28 H ARG 4 H ARG 4 5.376 -13.180 -4.114
29 HA ARG 4 HA ARG 4 6.637 -13.857 -1.555
30 HB2 ARG 4 2HB ARG 4 8.014 -12.915 -4.074
31 HB3 ARG 4 1HB ARG 4 8.611 -12.378 -2.473
32 HG2 ARG 4 2HG ARG 4 8.234 -15.237 -2.453
33 HG3 ARG 4 1HG ARG 4 9.228 -14.780 -3.851
34 HD2 ARG 4 2HD ARG 4 10.611 -13.343 -2.254
35 HD3 ARG 4 1HD ARG 4 9.727 -14.116 -0.922
36 HE ARG 4 HE ARG 4 10.627 -16.177 -2.536
37 HH11 ARG 4 2HH2 ARG 4 12.078 -13.783 -0.350
38 HH12 ARG 4 1HH2 ARG 4 13.572 -14.740 -0.160
39 HH21 ARG 4 2HH1 ARG 4 12.548 -17.347 -2.262
40 HH22 ARG 4 1HH1 ARG 4 13.828 -16.689 -1.205
41 H SER 5 H SER 5 7.769 -11.558 -0.834
42 HA SER 5 HA SER 5 5.728 -9.585 -0.397
43 HB2 SER 5 2HB SER 5 7.556 -8.242 0.480
44 HB3 SER 5 1HB SER 5 7.534 -9.864 1.171
45 HG SER 5 HG SER 5 9.644 -8.867 0.334
46 H TYR 6 H TYR 6 5.424 -7.663 -1.096
47 HA TYR 6 HA TYR 6 6.728 -6.742 -3.642
48 HB2 TYR 6 1HB TYR 6 3.957 -7.483 -3.222
49 HB3 TYR 6 2HB TYR 6 4.150 -6.029 -3.939
50 HD1 TYR 6 1HD TYR 6 5.317 -5.751 -6.086
51 HD2 TYR 6 2HD TYR 6 4.520 -9.594 -4.332
52 HE1 TYR 6 1HE TYR 6 5.768 -6.832 -8.263
53 HE2 TYR 6 2HE TYR 6 4.884 -10.676 -6.517
54 HH TYR 6 HH TYR 6 6.111 -10.187 -8.824
55 H THR 7 H THR 7 6.621 -4.623 -4.194
56 HA THR 7 HA THR 7 6.467 -2.743 -1.925
57 HB THR 7 HB THR 7 7.773 -2.282 -4.664
58 HG1 THR 7 1HG THR 7 9.751 -3.053 -3.435
59 HG21 THR 7 3HG2 THR 7 8.458 -1.314 -1.877
60 HG22 THR 7 1HG2 THR 7 9.290 -0.884 -3.391
61 HG23 THR 7 2HG2 THR 7 7.605 -0.373 -3.125
62 H CYS 8 H CYS 8 5.535 -0.525 -2.341
63 HA CYS 8 HA CYS 8 3.302 -0.699 -4.223
64 HB2 CYS 8 2HB CYS 8 3.368 0.036 -1.582
65 HB3 CYS 8 1HB CYS 8 3.369 1.601 -2.420
66 H SER 9 H SER 9 6.460 0.371 -4.153
67 HA SER 9 HA SER 9 7.846 1.856 -5.206
68 HB2 SER 9 2HB SER 9 7.509 2.890 -7.060
69 HB3 SER 9 1HB SER 9 6.469 1.434 -7.168
70 HG SER 9 HG SER 9 4.759 2.672 -7.420
71 H PHE 10 H PHE 10 4.761 3.556 -4.650
72 HA PHE 10 HA PHE 10 5.871 5.959 -3.902
73 HB2 PHE 10 1HB PHE 10 3.438 4.766 -4.312
74 HB3 PHE 10 2HB PHE 10 3.305 5.284 -2.769
75 HD1 PHE 10 1HD PHE 10 3.349 7.733 -2.200
76 HD2 PHE 10 2HD PHE 10 3.027 6.074 -6.143
77 HE1 PHE 10 1HE PHE 10 2.195 9.791 -2.975
78 HE2 PHE 10 2HE PHE 10 1.851 8.111 -6.913
79 HZ PHE 10 HZ PHE 10 1.438 9.977 -5.331
80 H CYS 11 H CYS 11 4.523 3.432 -1.484
81 HA CYS 11 HA CYS 11 5.872 4.981 0.552
82 HB2 CYS 11 2HB CYS 11 4.922 3.343 2.102
83 HB3 CYS 11 1HB CYS 11 3.687 4.064 1.056
84 H LYS 12 H LYS 12 7.307 3.194 -1.800
85 HA LYS 12 HA LYS 12 8.466 1.025 -1.862
86 HB2 LYS 12 2HB LYS 12 10.721 1.683 -1.085
87 HB3 LYS 12 1HB LYS 12 9.952 2.875 -2.185
88 HG2 LYS 12 2HG LYS 12 9.624 4.434 -0.381
89 HG3 LYS 12 1HG LYS 12 10.015 3.235 0.839
90 HD2 LYS 12 2HD LYS 12 12.118 3.803 -1.218
91 HD3 LYS 12 1HD LYS 12 11.791 5.040 -0.004
92 HE2 LYS 12 2HE LYS 12 12.322 3.548 1.803
93 HE3 LYS 12 1HE LYS 12 12.289 2.134 0.749
94 HZ1 LYS 12 3HZ LYS 12 14.209 4.356 0.591
95 HZ2 LYS 12 1HZ LYS 12 14.497 2.825 1.225
96 HZ3 LYS 12 2HZ LYS 12 14.177 3.007 -0.415
97 H ARG 13 H ARG 13 6.698 0.884 0.500
98 HA ARG 13 HA ARG 13 8.292 -0.874 2.218
99 HB2 ARG 13 2HB ARG 13 5.563 0.427 2.334
100 HB3 ARG 13 1HB ARG 13 5.909 -0.990 3.338
101 HG2 ARG 13 2HG ARG 13 7.563 0.095 4.552
102 HG3 ARG 13 1HG ARG 13 7.847 1.312 3.264
103 HD2 ARG 13 2HD ARG 13 6.859 2.514 4.970
104 HD3 ARG 13 1HD ARG 13 5.503 2.160 3.840
105 HE ARG 13 HE ARG 13 4.420 1.208 5.528
106 HH11 ARG 13 2HH2 ARG 13 7.831 0.897 6.507
107 HH12 ARG 13 1HH2 ARG 13 7.377 0.412 8.163
108 HH21 ARG 13 2HH1 ARG 13 3.932 0.610 7.640
109 HH22 ARG 13 1HH1 ARG 13 5.259 0.255 8.778
110 H GLU 14 H GLU 14 8.483 -2.775 2.159
111 HA GLU 14 HA GLU 14 7.240 -4.644 0.355
112 HB2 GLU 14 2HB GLU 14 8.501 -6.339 1.664
113 HB3 GLU 14 1HB GLU 14 9.521 -5.049 1.131
114 HG2 GLU 14 2HG GLU 14 9.865 -4.241 3.243
115 HG3 GLU 14 1HG GLU 14 8.319 -4.837 3.862
116 H PHE 15 H PHE 15 5.342 -5.389 0.404
117 HA PHE 15 HA PHE 15 3.975 -6.049 2.971
118 HB2 PHE 15 1HB PHE 15 2.847 -5.552 0.285
119 HB3 PHE 15 2HB PHE 15 1.993 -5.842 1.646
120 HD1 PHE 15 1HD PHE 15 4.090 -3.394 -0.048
121 HD2 PHE 15 2HD PHE 15 1.291 -4.138 3.126
122 HE1 PHE 15 1HE PHE 15 3.775 -0.970 0.233
123 HE2 PHE 15 2HE PHE 15 1.016 -1.695 3.446
124 HZ PHE 15 HZ PHE 15 2.329 -0.108 2.049
125 H ARG 16 H ARG 16 2.429 -7.921 2.723
126 HA ARG 16 HA ARG 16 3.670 -10.137 1.189
127 HB2 ARG 16 2HB ARG 16 2.629 -11.565 3.082
128 HB3 ARG 16 1HB ARG 16 3.796 -10.440 3.693
129 HG2 ARG 16 2HG ARG 16 2.071 -8.936 4.431
130 HG3 ARG 16 1HG ARG 16 0.822 -9.950 3.672
131 HD2 ARG 16 2HD ARG 16 0.892 -11.491 5.342
132 HD3 ARG 16 1HD ARG 16 2.667 -11.444 5.432
133 HE ARG 16 HE ARG 16 1.558 -9.017 6.432
134 HH11 ARG 16 2HH2 ARG 16 1.889 -12.416 7.384
135 HH12 ARG 16 1HH2 ARG 16 1.926 -12.018 9.124
136 HH21 ARG 16 2HH1 ARG 16 1.642 -8.556 8.659
137 HH22 ARG 16 1HH1 ARG 16 1.789 -9.900 9.821
138 H SER 17 H SER 17 1.881 -8.546 -0.257
139 HA SER 17 HA SER 17 -0.443 -10.305 -0.644
140 HB2 SER 17 2HB SER 17 -0.793 -7.332 -0.005
141 HB3 SER 17 1HB SER 17 -2.063 -8.440 -0.480
142 HG SER 17 HG SER 17 -2.031 -8.161 1.789
143 H ALA 18 H ALA 18 -1.741 -9.446 -2.587
144 HA ALA 18 HA ALA 18 -0.055 -7.894 -4.540
145 HB1 ALA 18 1HB ALA 18 -1.102 -9.124 -6.291
146 HB2 ALA 18 2HB ALA 18 -0.200 -10.187 -5.182
147 HB3 ALA 18 3HB ALA 18 -1.977 -10.117 -5.100
148 H GLN 19 H GLN 19 -3.546 -8.815 -4.349
149 HA GLN 19 HA GLN 19 -4.536 -6.479 -5.486
150 HB2 GLN 19 2HB GLN 19 -5.662 -8.794 -4.893
151 HB3 GLN 19 1HB GLN 19 -6.087 -7.982 -3.374
152 HG2 GLN 19 2HG GLN 19 -6.810 -6.042 -5.239
153 HG3 GLN 19 1HG GLN 19 -7.163 -7.497 -6.130
154 HE21 GLN 19 2HE2 GLN 19 -9.303 -7.428 -6.139
155 HE22 GLN 19 1HE2 GLN 19 -10.304 -7.505 -4.664
156 H ALA 20 H ALA 20 -4.178 -7.111 -1.939
157 HA ALA 20 HA ALA 20 -5.002 -4.690 -0.891
158 HB1 ALA 20 1HB ALA 20 -3.496 -5.051 0.909
159 HB2 ALA 20 2HB ALA 20 -4.343 -6.550 0.456
160 HB3 ALA 20 3HB ALA 20 -2.644 -6.309 -0.018
161 H LEU 21 H LEU 21 -1.884 -5.239 -2.653
162 HA LEU 21 HA LEU 21 -0.845 -2.628 -1.959
163 HB2 LEU 21 2HB LEU 21 0.135 -4.821 -3.794
164 HB3 LEU 21 1HB LEU 21 0.827 -3.215 -3.854
165 HG LEU 21 HG LEU 21 0.989 -3.516 -1.249
166 HD11 LEU 21 1HD1 LEU 21 1.435 -5.835 -0.624
167 HD12 LEU 21 2HD1 LEU 21 -0.251 -5.589 -1.132
168 HD13 LEU 21 3HD1 LEU 21 0.905 -6.370 -2.235
169 HD21 LEU 21 3HD2 LEU 21 2.845 -3.195 -2.858
170 HD22 LEU 21 1HD2 LEU 21 3.262 -4.440 -1.656
171 HD23 LEU 21 2HD2 LEU 21 2.765 -4.917 -3.297
172 H GLY 22 H GLY 22 -2.214 -4.137 -5.019
173 HA2 GLY 22 2HA GLY 22 -2.173 -1.946 -6.693
174 HA3 GLY 22 1HA GLY 22 -3.477 -3.134 -6.651
175 H GLY 23 H GLY 23 -4.822 -2.784 -4.355
176 HA2 GLY 23 2HA GLY 23 -6.285 -0.325 -4.485
177 HA3 GLY 23 1HA GLY 23 -6.306 -1.458 -3.170
178 H HIS 24 H HIS 24 -3.507 -1.286 -2.365
179 HA HIS 24 HA HIS 24 -3.849 0.908 -0.634
180 HB2 HIS 24 2HB HIS 24 -2.849 -0.945 0.256
181 HB3 HIS 24 1HB HIS 24 -1.666 -1.075 -1.084
182 HD1 HIS 24 1HD HIS 24 -1.672 -0.380 2.242
183 HD2 HIS 24 2HD HIS 24 -0.126 1.672 -1.032
184 HE1 HIS 24 1HE HIS 24 0.205 1.195 3.183
185 H MET 25 H MET 25 -1.752 0.363 -3.534
186 HA MET 25 HA MET 25 -0.398 2.821 -3.685
187 HB2 MET 25 2HB MET 25 -0.534 0.488 -5.171
188 HB3 MET 25 1HB MET 25 -1.287 1.655 -6.242
189 HG2 MET 25 2HG MET 25 1.215 2.456 -4.839
190 HG3 MET 25 1HG MET 25 1.300 1.277 -6.194
191 HE1 MET 25 3HE MET 25 0.427 1.780 -8.584
192 HE2 MET 25 1HE MET 25 1.248 3.209 -9.255
193 HE3 MET 25 2HE MET 25 2.152 2.058 -8.243
194 H ASN 26 H ASN 26 -3.631 1.952 -5.050
195 HA ASN 26 HA ASN 26 -4.214 4.519 -6.070
196 HB2 ASN 26 2HB ASN 26 -5.412 2.202 -6.473
197 HB3 ASN 26 1HB ASN 26 -6.288 2.535 -4.996
198 HD21 ASN 26 2HD2 ASN 26 -7.743 4.319 -4.889
199 HD22 ASN 26 1HD2 ASN 26 -8.386 5.023 -6.397
200 H VAL 27 H VAL 27 -4.767 3.261 -2.727
201 HA VAL 27 HA VAL 27 -6.116 5.560 -1.819
202 HB VAL 27 HB VAL 27 -5.998 3.267 -0.852
203 HG11 VAL 27 1HG1 VAL 27 -4.706 3.085 1.213
204 HG12 VAL 27 2HG1 VAL 27 -3.638 3.126 -0.210
205 HG13 VAL 27 3HG1 VAL 27 -3.822 4.574 0.807
206 HG21 VAL 27 3HG2 VAL 27 -7.488 4.986 -0.213
207 HG22 VAL 27 1HG2 VAL 27 -6.828 4.187 1.234
208 HG23 VAL 27 2HG2 VAL 27 -6.225 5.790 0.751
209 H HIS 28 H HIS 28 -2.684 5.277 -2.573
210 HA HIS 28 HA HIS 28 -1.595 7.168 -0.964
211 HB2 HIS 28 2HB HIS 28 -1.020 6.464 -3.807
212 HB3 HIS 28 1HB HIS 28 -0.040 7.620 -2.849
213 HD1 HIS 28 1HD HIS 28 -0.350 5.935 -0.215
214 HD2 HIS 28 2HD HIS 28 1.014 4.550 -3.896
215 HE1 HIS 28 1HE HIS 28 1.139 3.832 0.295
216 H ARG 29 H ARG 29 -0.741 9.363 -1.899
217 HA ARG 29 HA ARG 29 -1.079 11.570 -2.420
218 HB2 ARG 29 2HB ARG 29 -1.882 10.394 -4.708
219 HB3 ARG 29 1HB ARG 29 -3.457 10.899 -4.192
220 HG2 ARG 29 2HG ARG 29 -2.104 13.212 -3.816
221 HG3 ARG 29 1HG ARG 29 -1.189 12.489 -5.149
222 HD2 ARG 29 2HD ARG 29 -2.839 13.448 -6.402
223 HD3 ARG 29 1HD ARG 29 -3.706 11.947 -5.997
224 HE ARG 29 HE ARG 29 -5.093 13.129 -4.591
225 HH11 ARG 29 2HH2 ARG 29 -2.354 15.236 -5.412
226 HH12 ARG 29 1HH2 ARG 29 -3.090 16.660 -4.627
227 HH21 ARG 29 2HH1 ARG 29 -6.014 15.004 -3.640
228 HH22 ARG 29 1HH1 ARG 29 -5.093 16.531 -3.659
229 H ARG 30 H ARG 30 -1.552 12.505 -0.655
230 HA ARG 30 HA ARG 30 -2.628 13.173 1.297
231 HB2 ARG 30 2HB ARG 30 -4.751 13.720 -0.798
232 HB3 ARG 30 1HB ARG 30 -4.753 14.349 0.867
233 HG2 ARG 30 2HG ARG 30 -2.305 15.204 0.228
234 HG3 ARG 30 1HG ARG 30 -2.877 15.045 -1.420
235 HD2 ARG 30 2HD ARG 30 -4.420 16.633 -1.223
236 HD3 ARG 30 1HD ARG 30 -4.553 16.423 0.583
237 HE ARG 30 HE ARG 30 -1.889 17.116 -0.272
238 HH11 ARG 30 2HH2 ARG 30 -4.940 18.823 0.387
239 HH12 ARG 30 1HH2 ARG 30 -4.086 20.327 0.825
240 HH21 ARG 30 2HH1 ARG 30 -0.869 19.009 0.320
241 HH22 ARG 30 1HH1 ARG 30 -1.841 20.430 0.787
242 H ASP 31 H ASP 31 -2.436 11.349 2.351
243 HA ASP 31 HA ASP 31 -4.100 9.239 2.564
244 HB2 ASP 31 2HB ASP 31 -2.491 10.701 4.596
245 HB3 ASP 31 1HB ASP 31 -3.546 9.336 5.087
246 H ARG 32 H ARG 32 -4.694 12.346 4.294
247 HA ARG 32 HA ARG 32 -6.435 13.152 5.533
248 HB2 ARG 32 2HB ARG 32 -7.582 12.034 2.991
249 HB3 ARG 32 1HB ARG 32 -8.738 12.391 4.260
250 HG2 ARG 32 2HG ARG 32 -6.646 14.407 3.431
251 HG3 ARG 32 1HG ARG 32 -8.203 14.241 2.591
252 HD2 ARG 32 2HD ARG 32 -9.420 14.671 4.713
253 HD3 ARG 32 1HD ARG 32 -7.905 14.741 5.602
254 HE ARG 32 HE ARG 32 -7.656 16.614 3.595
255 HH11 ARG 32 2HH2 ARG 32 -10.157 16.090 6.052
256 HH12 ARG 32 1HH2 ARG 32 -10.364 17.839 6.347
257 HH21 ARG 32 2HH1 ARG 32 -8.006 18.840 3.963
258 HH22 ARG 32 1HH1 ARG 32 -9.189 19.344 5.201
259 H ALA 33 H ALA 33 -7.955 10.058 4.807
260 HA ALA 33 HA ALA 33 -7.909 9.432 7.682
261 HB1 ALA 33 1HB ALA 33 -10.248 8.695 7.629
262 HB2 ALA 33 2HB ALA 33 -10.085 10.445 7.352
263 HB3 ALA 33 3HB ALA 33 -10.414 9.354 5.986
264 H ARG 34 H ARG 34 -6.078 8.152 6.761
265 HA ARG 34 HA ARG 34 -6.764 5.976 4.898
266 HB2 ARG 34 2HB ARG 34 -4.530 7.496 4.887
267 HB3 ARG 34 1HB ARG 34 -4.003 6.440 6.149
268 HG2 ARG 34 2HG ARG 34 -5.048 5.282 3.606
269 HG3 ARG 34 1HG ARG 34 -3.395 5.960 3.733
270 HD2 ARG 34 2HD ARG 34 -3.826 4.225 5.961
271 HD3 ARG 34 1HD ARG 34 -4.326 3.369 4.479
272 HE ARG 34 HE ARG 34 -2.154 3.499 3.659
273 HH11 ARG 34 2HH2 ARG 34 -2.275 5.199 6.776
274 HH12 ARG 34 1HH2 ARG 34 -0.500 5.368 6.846
275 HH21 ARG 34 2HH1 ARG 34 0.097 3.710 3.819
276 HH22 ARG 34 1HH1 ARG 34 0.798 4.551 5.227
277 H LEU 35 H LEU 35 -8.244 5.055 6.164
278 HA LEU 35 HA LEU 35 -9.118 3.351 7.475
279 HB2 LEU 35 2HB LEU 35 -6.669 2.400 6.884
280 HB3 LEU 35 1HB LEU 35 -6.759 2.326 8.676
281 HG LEU 35 HG LEU 35 -7.541 0.203 7.743
282 HD11 LEU 35 1HD1 LEU 35 -9.683 -0.018 8.716
283 HD12 LEU 35 2HD1 LEU 35 -8.549 0.862 9.766
284 HD13 LEU 35 3HD1 LEU 35 -9.814 1.750 8.884
285 HD21 LEU 35 3HD2 LEU 35 -8.185 1.007 5.500
286 HD22 LEU 35 1HD2 LEU 35 -9.489 0.081 6.282
287 HD23 LEU 35 2HD2 LEU 35 -9.576 1.857 6.214
288 H ARG 36 H ARG 36 -10.294 4.192 8.993
289 HA ARG 36 HA ARG 36 -8.998 5.341 11.382
290 HB2 ARG 36 2HB ARG 36 -10.618 6.612 9.484
291 HB3 ARG 36 1HB ARG 36 -11.760 6.187 10.801
292 HG2 ARG 36 2HG ARG 36 -10.981 8.440 11.257
293 HG3 ARG 36 1HG ARG 36 -10.150 7.415 12.394
294 HD2 ARG 36 2HD ARG 36 -8.118 7.539 11.223
295 HD3 ARG 36 1HD ARG 36 -8.905 8.168 9.755
296 HE ARG 36 HE ARG 36 -9.107 10.260 10.744
297 HH11 ARG 36 2HH2 ARG 36 -7.340 8.102 12.932
298 HH12 ARG 36 1HH2 ARG 36 -6.956 9.430 14.062
299 HH21 ARG 36 2HH1 ARG 36 -8.562 11.909 12.178
300 HH22 ARG 36 1HH1 ARG 36 -7.623 11.519 13.645
301 H LEU 37 H LEU 37 -9.818 4.530 13.329
302 HA LEU 37 HA LEU 37 -10.898 3.249 14.834
303 HB2 LEU 37 2HB LEU 37 -13.318 3.842 13.098
304 HB3 LEU 37 1HB LEU 37 -13.382 3.185 14.709
305 HG LEU 37 HG LEU 37 -11.781 5.672 14.394
306 HD11 LEU 37 1HD1 LEU 37 -13.820 7.037 14.392
307 HD12 LEU 37 2HD1 LEU 37 -13.689 6.076 12.899
308 HD13 LEU 37 3HD1 LEU 37 -14.810 5.571 14.186
309 HD21 LEU 37 3HD2 LEU 37 -12.112 4.569 16.582
310 HD22 LEU 37 1HD2 LEU 37 -12.894 6.165 16.528
311 HD23 LEU 37 2HD2 LEU 37 -13.876 4.690 16.371
312 HN1 NH2 38 3HN NH2 38 -10.203 1.442 11.858
313 HN2 NH2 38 2HN NH2 38 -9.485 2.154 13.265
Start of MODEL 4
1 H1 ACE 0 2H1 ACE 0 8.198 -9.689 -13.365
2 H2 ACE 0 3H1 ACE 0 9.705 -8.750 -13.250
3 H3 ACE 0 1H1 ACE 0 9.622 -10.386 -12.555
4 H TRP 1 H TRP 1 9.255 -10.587 -10.510
5 HA TRP 1 HA TRP 1 9.002 -8.370 -8.738
6 HB2 TRP 1 2HB TRP 1 6.514 -9.016 -10.014
7 HB3 TRP 1 1HB TRP 1 6.434 -9.446 -8.277
8 HD1 TRP 1 HD TRP 1 8.532 -6.522 -9.224
9 HE1 TRP 1 1HE TRP 1 7.439 -4.277 -8.283
10 HE3 TRP 1 3HE TRP 1 4.263 -8.479 -7.494
11 HZ2 TRP 1 2HZ TRP 1 4.996 -3.637 -6.985
12 HZ3 TRP 1 3HZ TRP 1 2.405 -7.103 -6.984
13 HH2 TRP 1 HH TRP 1 2.728 -4.598 -6.551
14 HA PRO 2 HA PRO 2 10.386 -11.755 -6.283
15 HB2 PRO 2 2HB PRO 2 10.378 -10.520 -3.841
16 HB3 PRO 2 1HB PRO 2 11.595 -10.146 -5.062
17 HG2 PRO 2 2HG PRO 2 9.015 -8.628 -4.437
18 HG3 PRO 2 1HG PRO 2 10.636 -7.972 -4.644
19 HD2 PRO 2 1HD PRO 2 8.824 -8.035 -6.775
20 HD3 PRO 2 2HD PRO 2 10.596 -8.363 -7.077
21 HA PRO 3 HA PRO 3 6.525 -13.435 -4.651
22 HB2 PRO 3 2HB PRO 3 7.409 -15.479 -3.143
23 HB3 PRO 3 1HB PRO 3 7.547 -15.518 -4.900
24 HG2 PRO 3 2HG PRO 3 9.688 -14.740 -2.855
25 HG3 PRO 3 1HG PRO 3 9.838 -15.857 -4.209
26 HD2 PRO 3 1HD PRO 3 10.581 -13.148 -4.444
27 HD3 PRO 3 2HD PRO 3 9.820 -14.024 -5.860
28 H ARG 4 H ARG 4 6.026 -14.497 -2.173
29 HA ARG 4 HA ARG 4 5.422 -14.077 -0.027
30 HB2 ARG 4 2HB ARG 4 7.902 -12.259 0.067
31 HB3 ARG 4 1HB ARG 4 7.042 -12.894 1.452
32 HG2 ARG 4 2HG ARG 4 7.814 -15.130 1.043
33 HG3 ARG 4 1HG ARG 4 8.292 -14.770 -0.595
34 HD2 ARG 4 2HD ARG 4 10.340 -14.723 0.452
35 HD3 ARG 4 1HD ARG 4 9.928 -13.026 0.605
36 HE ARG 4 HE ARG 4 8.884 -14.341 2.832
37 HH11 ARG 4 2HH2 ARG 4 12.017 -13.318 1.511
38 HH12 ARG 4 1HH2 ARG 4 12.823 -13.438 3.098
39 HH21 ARG 4 2HH1 ARG 4 9.964 -14.462 4.836
40 HH22 ARG 4 1HH1 ARG 4 11.701 -14.060 4.914
41 H SER 5 H SER 5 5.732 -11.430 1.387
42 HA SER 5 HA SER 5 3.231 -10.208 0.571
43 HB2 SER 5 2HB SER 5 3.961 -8.518 2.287
44 HB3 SER 5 1HB SER 5 3.776 -10.166 2.886
45 HG SER 5 HG SER 5 5.804 -8.844 3.435
46 H TYR 6 H TYR 6 2.826 -8.339 -0.364
47 HA TYR 6 HA TYR 6 5.107 -7.077 -1.921
48 HB2 TYR 6 1HB TYR 6 2.304 -7.535 -2.744
49 HB3 TYR 6 2HB TYR 6 3.371 -6.633 -3.588
50 HD1 TYR 6 1HD TYR 6 2.526 -10.046 -2.588
51 HD2 TYR 6 2HD TYR 6 5.083 -7.527 -4.946
52 HE1 TYR 6 1HE TYR 6 3.224 -12.006 -3.912
53 HE2 TYR 6 2HE TYR 6 5.825 -9.480 -6.229
54 HH TYR 6 HH TYR 6 5.742 -12.107 -6.258
55 H THR 7 H THR 7 5.060 -4.937 -2.474
56 HA THR 7 HA THR 7 4.090 -3.128 -0.390
57 HB THR 7 HB THR 7 5.342 -1.432 -1.702
58 HG1 THR 7 1HG THR 7 6.662 -2.320 -3.456
59 HG21 THR 7 3HG2 THR 7 6.917 -3.971 -1.209
60 HG22 THR 7 1HG2 THR 7 7.566 -2.321 -1.360
61 HG23 THR 7 2HG2 THR 7 6.519 -2.743 0.016
62 H CYS 8 H CYS 8 2.853 -1.170 -0.887
63 HA CYS 8 HA CYS 8 0.790 -1.688 -2.895
64 HB2 CYS 8 2HB CYS 8 0.587 -0.987 -0.251
65 HB3 CYS 8 1HB CYS 8 0.369 0.565 -1.083
66 H SER 9 H SER 9 3.732 -0.210 -2.809
67 HA SER 9 HA SER 9 4.893 1.566 -3.697
68 HB2 SER 9 2HB SER 9 4.461 2.583 -5.521
69 HB3 SER 9 1HB SER 9 3.694 0.974 -5.706
70 HG SER 9 HG SER 9 1.752 1.876 -5.870
71 H PHE 10 H PHE 10 1.555 2.809 -3.264
72 HA PHE 10 HA PHE 10 2.229 5.330 -2.406
73 HB2 PHE 10 1HB PHE 10 0.002 3.763 -2.768
74 HB3 PHE 10 2HB PHE 10 -0.140 4.261 -1.219
75 HD1 PHE 10 1HD PHE 10 -0.109 5.263 -4.659
76 HD2 PHE 10 2HD PHE 10 -0.927 6.424 -0.614
77 HE1 PHE 10 1HE PHE 10 -1.555 7.095 -5.484
78 HE2 PHE 10 2HE PHE 10 -2.376 8.266 -1.437
79 HZ PHE 10 HZ PHE 10 -2.690 8.599 -3.875
80 H CYS 11 H CYS 11 1.672 2.405 -0.183
81 HA CYS 11 HA CYS 11 2.777 4.188 1.885
82 HB2 CYS 11 2HB CYS 11 1.773 2.490 3.481
83 HB3 CYS 11 1HB CYS 11 0.639 3.544 2.614
84 H LYS 12 H LYS 12 4.210 2.464 -0.316
85 HA LYS 12 HA LYS 12 5.156 0.274 -0.600
86 HB2 LYS 12 2HB LYS 12 7.431 0.678 0.060
87 HB3 LYS 12 1HB LYS 12 6.716 2.280 -0.302
88 HG2 LYS 12 2HG LYS 12 6.381 2.638 2.120
89 HG3 LYS 12 1HG LYS 12 7.198 1.076 2.437
90 HD2 LYS 12 2HD LYS 12 9.198 2.041 1.217
91 HD3 LYS 12 1HD LYS 12 8.367 3.622 1.318
92 HE2 LYS 12 2HE LYS 12 8.198 3.294 3.848
93 HE3 LYS 12 1HE LYS 12 9.138 1.825 3.700
94 HZ1 LYS 12 3HZ LYS 12 10.029 4.515 2.956
95 HZ2 LYS 12 1HZ LYS 12 10.454 3.647 4.332
96 HZ3 LYS 12 2HZ LYS 12 10.932 3.103 2.815
97 H ARG 13 H ARG 13 3.210 0.012 1.619
98 HA ARG 13 HA ARG 13 4.567 -1.648 3.512
99 HB2 ARG 13 2HB ARG 13 2.342 0.076 3.500
100 HB3 ARG 13 1HB ARG 13 1.580 -1.503 3.541
101 HG2 ARG 13 2HG ARG 13 3.851 -1.174 5.465
102 HG3 ARG 13 1HG ARG 13 2.452 -0.193 5.783
103 HD2 ARG 13 2HD ARG 13 2.275 -3.188 5.334
104 HD3 ARG 13 1HD ARG 13 2.468 -2.430 6.908
105 HE ARG 13 HE ARG 13 0.105 -2.646 5.360
106 HH11 ARG 13 2HH2 ARG 13 1.601 -0.490 7.777
107 HH12 ARG 13 1HH2 ARG 13 0.021 0.178 8.266
108 HH21 ARG 13 2HH1 ARG 13 -1.860 -1.777 6.065
109 HH22 ARG 13 1HH1 ARG 13 -1.862 -0.524 7.335
110 H GLU 14 H GLU 14 4.744 -3.623 3.649
111 HA GLU 14 HA GLU 14 4.140 -5.483 1.509
112 HB2 GLU 14 2HB GLU 14 5.452 -5.734 4.216
113 HB3 GLU 14 1HB GLU 14 5.298 -7.047 3.052
114 HG2 GLU 14 2HG GLU 14 6.865 -6.113 1.595
115 HG3 GLU 14 1HG GLU 14 6.470 -4.465 2.031
116 H PHE 15 H PHE 15 2.175 -6.071 1.132
117 HA PHE 15 HA PHE 15 0.510 -7.224 3.313
118 HB2 PHE 15 1HB PHE 15 -0.032 -6.172 0.624
119 HB3 PHE 15 2HB PHE 15 -1.089 -7.199 1.326
120 HD1 PHE 15 1HD PHE 15 0.230 -3.829 1.356
121 HD2 PHE 15 2HD PHE 15 -2.447 -6.635 3.206
122 HE1 PHE 15 1HE PHE 15 -0.783 -1.997 2.690
123 HE2 PHE 15 2HE PHE 15 -3.397 -4.821 4.598
124 HZ PHE 15 HZ PHE 15 -2.407 -2.548 4.492
125 H ARG 16 H ARG 16 0.257 -9.305 3.559
126 HA ARG 16 HA ARG 16 1.047 -11.275 1.534
127 HB2 ARG 16 2HB ARG 16 -0.072 -11.442 4.378
128 HB3 ARG 16 1HB ARG 16 0.034 -12.850 3.374
129 HG2 ARG 16 2HG ARG 16 2.486 -12.148 3.032
130 HG3 ARG 16 1HG ARG 16 2.179 -11.169 4.514
131 HD2 ARG 16 2HD ARG 16 1.269 -13.241 5.643
132 HD3 ARG 16 1HD ARG 16 1.638 -14.188 4.205
133 HE ARG 16 HE ARG 16 3.942 -12.810 5.184
134 HH11 ARG 16 2HH2 ARG 16 2.097 -15.827 5.351
135 HH12 ARG 16 1HH2 ARG 16 3.362 -16.659 6.295
136 HH21 ARG 16 2HH1 ARG 16 5.557 -13.929 6.331
137 HH22 ARG 16 1HH1 ARG 16 5.263 -15.617 6.829
138 H SER 17 H SER 17 -0.787 -9.668 0.316
139 HA SER 17 HA SER 17 -3.270 -11.280 0.168
140 HB2 SER 17 2HB SER 17 -3.112 -8.260 0.678
141 HB3 SER 17 1HB SER 17 -4.581 -9.119 0.210
142 HG SER 17 HG SER 17 -3.073 -9.971 2.491
143 H ALA 18 H ALA 18 -3.813 -11.609 -1.936
144 HA ALA 18 HA ALA 18 -2.717 -10.063 -4.098
145 HB1 ALA 18 1HB ALA 18 -4.164 -11.376 -5.494
146 HB2 ALA 18 2HB ALA 18 -3.218 -12.369 -4.359
147 HB3 ALA 18 3HB ALA 18 -4.944 -12.065 -4.050
148 H GLN 19 H GLN 19 -6.252 -10.524 -3.691
149 HA GLN 19 HA GLN 19 -7.012 -7.996 -4.675
150 HB2 GLN 19 2HB GLN 19 -8.327 -10.347 -3.556
151 HB3 GLN 19 1HB GLN 19 -9.076 -8.862 -2.971
152 HG2 GLN 19 2HG GLN 19 -10.189 -9.434 -5.042
153 HG3 GLN 19 1HG GLN 19 -9.155 -8.071 -5.420
154 HE21 GLN 19 2HE2 GLN 19 -9.727 -11.484 -5.806
155 HE22 GLN 19 1HE2 GLN 19 -8.547 -11.739 -7.118
156 H ALA 20 H ALA 20 -6.859 -8.861 -1.157
157 HA ALA 20 HA ALA 20 -7.577 -6.289 -0.314
158 HB1 ALA 20 1HB ALA 20 -6.768 -7.001 1.858
159 HB2 ALA 20 2HB ALA 20 -7.834 -8.185 1.066
160 HB3 ALA 20 3HB ALA 20 -6.075 -8.458 1.107
161 H LEU 21 H LEU 21 -4.585 -7.075 -1.869
162 HA LEU 21 HA LEU 21 -3.298 -4.658 -0.813
163 HB2 LEU 21 2HB LEU 21 -2.179 -6.906 -1.359
164 HB3 LEU 21 1HB LEU 21 -2.400 -6.431 -3.078
165 HG LEU 21 HG LEU 21 -0.927 -4.715 -1.092
166 HD11 LEU 21 1HD1 LEU 21 1.121 -5.854 -2.055
167 HD12 LEU 21 2HD1 LEU 21 0.061 -7.024 -1.233
168 HD13 LEU 21 3HD1 LEU 21 0.054 -6.912 -3.009
169 HD21 LEU 21 3HD2 LEU 21 -1.551 -3.594 -3.188
170 HD22 LEU 21 1HD2 LEU 21 0.210 -3.825 -3.075
171 HD23 LEU 21 2HD2 LEU 21 -0.762 -4.888 -4.120
172 H GLY 22 H GLY 22 -4.305 -5.989 -4.124
173 HA2 GLY 22 2HA GLY 22 -4.115 -3.644 -5.626
174 HA3 GLY 22 1HA GLY 22 -5.271 -4.911 -5.932
175 H GLY 23 H GLY 23 -7.050 -4.820 -3.848
176 HA2 GLY 23 2HA GLY 23 -8.690 -2.513 -4.216
177 HA3 GLY 23 1HA GLY 23 -8.836 -3.707 -2.952
178 H HIS 24 H HIS 24 -6.215 -3.299 -1.644
179 HA HIS 24 HA HIS 24 -6.956 -1.124 -0.018
180 HB2 HIS 24 2HB HIS 24 -5.867 -2.857 1.006
181 HB3 HIS 24 1HB HIS 24 -4.536 -2.861 -0.194
182 HD1 HIS 24 1HD HIS 24 -5.044 -2.102 3.102
183 HD2 HIS 24 2HD HIS 24 -3.268 -0.008 -0.029
184 HE1 HIS 24 1HE HIS 24 -3.453 -0.328 4.210
185 H MET 25 H MET 25 -4.480 -1.513 -2.612
186 HA MET 25 HA MET 25 -3.384 1.046 -2.770
187 HB2 MET 25 2HB MET 25 -3.214 -1.356 -4.059
188 HB3 MET 25 1HB MET 25 -4.031 -0.338 -5.289
189 HG2 MET 25 2HG MET 25 -1.495 0.500 -3.903
190 HG3 MET 25 1HG MET 25 -1.509 -0.500 -5.396
191 HE1 MET 25 3HE MET 25 -1.155 0.406 -7.533
192 HE2 MET 25 1HE MET 25 -0.728 2.121 -7.741
193 HE3 MET 25 2HE MET 25 0.095 1.143 -6.502
194 H ASN 26 H ASN 26 -6.326 -0.179 -4.488
195 HA ASN 26 HA ASN 26 -7.057 2.300 -5.622
196 HB2 ASN 26 2HB ASN 26 -7.909 -0.130 -6.147
197 HB3 ASN 26 1HB ASN 26 -9.015 0.096 -4.805
198 HD21 ASN 26 2HD2 ASN 26 -10.965 0.413 -5.613
199 HD22 ASN 26 1HD2 ASN 26 -11.358 1.563 -6.919
200 H VAL 27 H VAL 27 -7.939 1.059 -2.352
201 HA VAL 27 HA VAL 27 -9.664 3.181 -1.728
202 HB VAL 27 HB VAL 27 -9.356 0.974 -0.624
203 HG11 VAL 27 1HG1 VAL 27 -8.270 1.045 1.566
204 HG12 VAL 27 2HG1 VAL 27 -7.076 1.176 0.253
205 HG13 VAL 27 3HG1 VAL 27 -7.552 2.624 1.172
206 HG21 VAL 27 3HG2 VAL 27 -11.114 2.500 -0.231
207 HG22 VAL 27 1HG2 VAL 27 -10.518 1.851 1.316
208 HG23 VAL 27 2HG2 VAL 27 -10.079 3.502 0.815
209 H HIS 28 H HIS 28 -6.146 3.347 -2.063
210 HA HIS 28 HA HIS 28 -5.534 5.431 -0.420
211 HB2 HIS 28 2HB HIS 28 -4.504 4.720 -3.134
212 HB3 HIS 28 1HB HIS 28 -3.809 6.007 -2.098
213 HD1 HIS 28 1HD HIS 28 -4.225 4.381 0.540
214 HD2 HIS 28 2HD HIS 28 -2.297 3.036 -2.897
215 HE1 HIS 28 1HE HIS 28 -2.585 2.482 1.311
216 H ARG 29 H ARG 29 -6.667 7.320 -0.172
217 HA ARG 29 HA ARG 29 -6.634 9.361 -2.261
218 HB2 ARG 29 2HB ARG 29 -9.171 9.621 -2.236
219 HB3 ARG 29 1HB ARG 29 -8.671 8.151 -3.024
220 HG2 ARG 29 2HG ARG 29 -8.964 7.199 -0.514
221 HG3 ARG 29 1HG ARG 29 -10.128 8.537 -0.485
222 HD2 ARG 29 2HD ARG 29 -11.171 7.706 -2.532
223 HD3 ARG 29 1HD ARG 29 -9.974 6.375 -2.607
224 HE ARG 29 HE ARG 29 -10.965 6.091 -0.120
225 HH11 ARG 29 2HH2 ARG 29 -12.405 5.950 -3.336
226 HH12 ARG 29 1HH2 ARG 29 -13.859 5.090 -2.763
227 HH21 ARG 29 2HH1 ARG 29 -12.853 5.018 0.602
228 HH22 ARG 29 1HH1 ARG 29 -14.105 4.574 -0.589
229 H ARG 30 H ARG 30 -5.200 9.824 -0.263
230 HA ARG 30 HA ARG 30 -4.821 10.808 1.795
231 HB2 ARG 30 2HB ARG 30 -5.224 12.664 0.189
232 HB3 ARG 30 1HB ARG 30 -6.963 12.631 0.623
233 HG2 ARG 30 2HG ARG 30 -6.281 13.205 2.995
234 HG3 ARG 30 1HG ARG 30 -4.632 13.435 2.412
235 HD2 ARG 30 2HD ARG 30 -5.518 15.110 0.761
236 HD3 ARG 30 1HD ARG 30 -7.109 14.956 1.552
237 HE ARG 30 HE ARG 30 -4.774 15.547 3.232
238 HH11 ARG 30 2HH2 ARG 30 -8.075 16.425 2.393
239 HH12 ARG 30 1HH2 ARG 30 -7.992 17.957 3.304
240 HH21 ARG 30 2HH1 ARG 30 -4.709 17.462 4.406
241 HH22 ARG 30 1HH1 ARG 30 -6.144 18.521 4.417
242 H ASP 31 H ASP 31 -5.531 9.077 3.068
243 HA ASP 31 HA ASP 31 -8.247 8.959 4.108
244 HB2 ASP 31 2HB ASP 31 -6.564 7.081 3.734
245 HB3 ASP 31 1HB ASP 31 -5.897 7.595 5.316
246 H ARG 32 H ARG 32 -5.136 9.455 5.904
247 HA ARG 32 HA ARG 32 -6.461 11.557 7.518
248 HB2 ARG 32 2HB ARG 32 -4.766 10.999 9.191
249 HB3 ARG 32 1HB ARG 32 -5.679 9.530 8.697
250 HG2 ARG 32 2HG ARG 32 -3.577 8.614 8.708
251 HG3 ARG 32 1HG ARG 32 -3.507 9.290 7.087
252 HD2 ARG 32 2HD ARG 32 -1.955 10.857 7.678
253 HD3 ARG 32 1HD ARG 32 -2.723 11.198 9.227
254 HE ARG 32 HE ARG 32 -0.529 9.502 8.760
255 HH11 ARG 32 2HH2 ARG 32 -3.400 9.683 10.854
256 HH12 ARG 32 1HH2 ARG 32 -2.668 8.620 12.085
257 HH21 ARG 32 2HH1 ARG 32 0.351 8.174 10.375
258 HH22 ARG 32 1HH1 ARG 32 -0.621 7.798 11.824
259 H ALA 33 H ALA 33 -3.704 11.112 5.409
260 HA ALA 33 HA ALA 33 -3.389 14.008 5.197
261 HB1 ALA 33 1HB ALA 33 -0.960 13.872 5.541
262 HB2 ALA 33 2HB ALA 33 -1.838 13.421 7.022
263 HB3 ALA 33 3HB ALA 33 -1.111 12.159 6.000
264 H ARG 34 H ARG 34 -2.258 14.606 3.332
265 HA ARG 34 HA ARG 34 -2.543 12.851 1.060
266 HB2 ARG 34 2HB ARG 34 -3.080 15.280 1.022
267 HB3 ARG 34 1HB ARG 34 -1.374 15.652 1.427
268 HG2 ARG 34 2HG ARG 34 -1.422 16.007 -0.914
269 HG3 ARG 34 1HG ARG 34 -0.862 14.356 -0.833
270 HD2 ARG 34 2HD ARG 34 -2.643 13.577 -1.858
271 HD3 ARG 34 1HD ARG 34 -3.767 14.540 -0.844
272 HE ARG 34 HE ARG 34 -2.778 15.215 -3.465
273 HH11 ARG 34 2HH2 ARG 34 -4.048 16.687 -0.492
274 HH12 ARG 34 1HH2 ARG 34 -4.253 18.280 -1.269
275 HH21 ARG 34 2HH1 ARG 34 -3.086 17.258 -4.405
276 HH22 ARG 34 1HH1 ARG 34 -3.729 18.590 -3.409
277 H LEU 35 H LEU 35 -1.066 11.271 0.897
278 HA LEU 35 HA LEU 35 0.939 10.121 0.582
279 HB2 LEU 35 2HB LEU 35 2.022 12.885 0.066
280 HB3 LEU 35 1HB LEU 35 2.961 11.423 -0.057
281 HG LEU 35 HG LEU 35 0.352 11.553 -1.522
282 HD11 LEU 35 1HD1 LEU 35 1.521 12.638 -3.399
283 HD12 LEU 35 2HD1 LEU 35 1.462 13.709 -1.979
284 HD13 LEU 35 3HD1 LEU 35 2.967 12.850 -2.384
285 HD21 LEU 35 3HD2 LEU 35 1.685 9.465 -1.476
286 HD22 LEU 35 1HD2 LEU 35 1.646 10.174 -3.108
287 HD23 LEU 35 2HD2 LEU 35 3.097 10.355 -2.093
288 H ARG 36 H ARG 36 1.769 8.969 2.114
289 HA ARG 36 HA ARG 36 3.455 10.102 4.174
290 HB2 ARG 36 2HB ARG 36 0.766 10.226 4.853
291 HB3 ARG 36 1HB ARG 36 1.086 8.597 5.342
292 HG2 ARG 36 2HG ARG 36 1.485 9.808 7.260
293 HG3 ARG 36 1HG ARG 36 3.116 9.609 6.641
294 HD2 ARG 36 2HD ARG 36 3.392 11.789 6.422
295 HD3 ARG 36 1HD ARG 36 1.860 11.964 5.508
296 HE ARG 36 HE ARG 36 1.304 11.447 8.243
297 HH11 ARG 36 2HH2 ARG 36 2.432 14.196 6.282
298 HH12 ARG 36 1HH2 ARG 36 1.839 15.379 7.479
299 HH21 ARG 36 2HH1 ARG 36 0.508 12.981 9.660
300 HH22 ARG 36 1HH1 ARG 36 0.783 14.712 9.329
301 H LEU 37 H LEU 37 5.011 8.681 3.389
302 HA LEU 37 HA LEU 37 4.595 5.866 3.049
303 HB2 LEU 37 2HB LEU 37 6.989 5.716 2.822
304 HB3 LEU 37 1HB LEU 37 6.244 6.973 1.783
305 HG LEU 37 HG LEU 37 7.115 8.153 4.277
306 HD11 LEU 37 1HD1 LEU 37 9.521 7.804 4.055
307 HD12 LEU 37 2HD1 LEU 37 8.674 6.282 4.423
308 HD13 LEU 37 3HD1 LEU 37 9.238 6.609 2.767
309 HD21 LEU 37 3HD2 LEU 37 6.728 9.339 2.140
310 HD22 LEU 37 1HD2 LEU 37 8.391 9.580 2.728
311 HD23 LEU 37 2HD2 LEU 37 8.073 8.438 1.400
312 HN1 NH2 38 3HN NH2 38 3.963 6.050 3.657
313 HN2 NH2 38 2HN NH2 38 4.569 7.570 4.224
Start of MODEL 5
1 H1 ACE 0 2H1 ACE 0 -1.034 -10.968 -14.449
2 H2 ACE 0 3H1 ACE 0 -0.222 -12.552 -14.473
3 H3 ACE 0 1H1 ACE 0 -1.865 -12.404 -13.805
4 H TRP 1 H TRP 1 1.541 -11.796 -13.347
5 HA TRP 1 HA TRP 1 2.773 -11.371 -11.409
6 HB2 TRP 1 2HB TRP 1 0.211 -9.983 -10.590
7 HB3 TRP 1 1HB TRP 1 1.765 -9.911 -9.701
8 HD1 TRP 1 HD TRP 1 1.445 -9.591 -13.459
9 HE1 TRP 1 1HE TRP 1 2.434 -7.229 -14.222
10 HE3 TRP 1 3HE TRP 1 2.549 -7.781 -8.925
11 HZ2 TRP 1 2HZ TRP 1 3.496 -4.977 -12.860
12 HZ3 TRP 1 3HZ TRP 1 2.956 -5.471 -8.594
13 HH2 TRP 1 HH TRP 1 3.589 -3.969 -10.570
14 HA PRO 2 HA PRO 2 1.886 -14.954 -8.985
15 HB2 PRO 2 2HB PRO 2 3.754 -14.678 -7.062
16 HB3 PRO 2 1HB PRO 2 4.208 -15.062 -8.722
17 HG2 PRO 2 2HG PRO 2 4.217 -12.330 -7.345
18 HG3 PRO 2 1HG PRO 2 5.494 -13.061 -8.312
19 HD2 PRO 2 1HD PRO 2 3.642 -11.297 -9.453
20 HD3 PRO 2 2HD PRO 2 4.250 -12.730 -10.405
21 HA PRO 3 HA PRO 3 -0.863 -13.725 -5.772
22 HB2 PRO 3 2HB PRO 3 -1.080 -16.038 -4.325
23 HB3 PRO 3 1HB PRO 3 -1.819 -15.844 -5.913
24 HG2 PRO 3 2HG PRO 3 0.874 -17.129 -5.229
25 HG3 PRO 3 1HG PRO 3 -0.404 -17.774 -6.255
26 HD2 PRO 3 1HD PRO 3 1.752 -16.352 -7.348
27 HD3 PRO 3 2HD PRO 3 0.076 -16.151 -8.051
28 H ARG 4 H ARG 4 2.425 -14.405 -5.153
29 HA ARG 4 HA ARG 4 2.619 -14.312 -2.352
30 HB2 ARG 4 2HB ARG 4 4.336 -14.641 -4.489
31 HB3 ARG 4 1HB ARG 4 4.713 -12.969 -4.043
32 HG2 ARG 4 2HG ARG 4 4.783 -13.954 -1.598
33 HG3 ARG 4 1HG ARG 4 5.057 -15.497 -2.467
34 HD2 ARG 4 2HD ARG 4 6.734 -13.008 -2.845
35 HD3 ARG 4 1HD ARG 4 7.133 -14.335 -1.710
36 HE ARG 4 HE ARG 4 6.745 -15.137 -4.470
37 HH11 ARG 4 2HH2 ARG 4 9.124 -14.185 -2.007
38 HH12 ARG 4 1HH2 ARG 4 10.491 -14.821 -2.960
39 HH21 ARG 4 2HH1 ARG 4 8.541 -15.972 -5.620
40 HH22 ARG 4 1HH1 ARG 4 10.174 -15.794 -4.925
41 H SER 5 H SER 5 4.091 -12.274 -1.470
42 HA SER 5 HA SER 5 2.265 -10.229 -0.773
43 HB2 SER 5 2HB SER 5 4.765 -11.065 -0.036
44 HB3 SER 5 1HB SER 5 5.055 -9.457 -0.781
45 HG SER 5 HG SER 5 3.067 -10.094 1.232
46 H TYR 6 H TYR 6 1.580 -8.493 -1.512
47 HA TYR 6 HA TYR 6 2.702 -7.410 -4.110
48 HB2 TYR 6 1HB TYR 6 -0.038 -7.577 -3.050
49 HB3 TYR 6 2HB TYR 6 0.350 -6.492 -4.207
50 HD1 TYR 6 1HD TYR 6 1.039 -7.150 -6.458
51 HD2 TYR 6 2HD TYR 6 -0.460 -9.909 -3.529
52 HE1 TYR 6 1HE TYR 6 0.309 -8.661 -8.266
53 HE2 TYR 6 2HE TYR 6 -1.145 -11.452 -5.318
54 HH TYR 6 HH TYR 6 -0.839 -10.643 -8.868
55 H THR 7 H THR 7 2.616 -5.240 -4.558
56 HA THR 7 HA THR 7 3.367 -3.538 -2.276
57 HB THR 7 HB THR 7 3.670 -3.030 -5.304
58 HG1 THR 7 1HG THR 7 5.228 -4.632 -3.508
59 HG21 THR 7 3HG2 THR 7 5.286 -2.067 -2.946
60 HG22 THR 7 1HG2 THR 7 5.558 -1.699 -4.665
61 HG23 THR 7 2HG2 THR 7 4.092 -1.104 -3.849
62 H CYS 8 H CYS 8 2.515 -1.299 -2.096
63 HA CYS 8 HA CYS 8 -0.212 -1.111 -3.140
64 HB2 CYS 8 2HB CYS 8 0.762 -0.767 -0.595
65 HB3 CYS 8 1HB CYS 8 0.605 0.897 -1.187
66 H SER 9 H SER 9 2.941 -0.095 -3.832
67 HA SER 9 HA SER 9 4.033 1.501 -5.054
68 HB2 SER 9 2HB SER 9 3.250 2.722 -6.629
69 HB3 SER 9 1HB SER 9 2.182 1.284 -6.607
70 HG SER 9 HG SER 9 0.508 2.546 -6.310
71 H PHE 10 H PHE 10 1.251 3.161 -3.542
72 HA PHE 10 HA PHE 10 2.518 5.478 -2.822
73 HB2 PHE 10 1HB PHE 10 0.111 4.152 -2.418
74 HB3 PHE 10 2HB PHE 10 0.564 4.673 -0.939
75 HD1 PHE 10 2HD PHE 10 1.208 7.258 -0.766
76 HD2 PHE 10 1HD PHE 10 -1.440 5.330 -3.528
77 HE1 PHE 10 2HE PHE 10 -0.075 9.372 -1.022
78 HE2 PHE 10 1HE PHE 10 -2.796 7.389 -3.688
79 HZ PHE 10 HZ PHE 10 -2.092 9.434 -2.469
80 H CYS 11 H CYS 11 2.374 2.441 -0.684
81 HA CYS 11 HA CYS 11 4.343 3.913 0.938
82 HB2 CYS 11 2HB CYS 11 3.755 2.202 2.707
83 HB3 CYS 11 1HB CYS 11 2.524 3.425 2.344
84 H LYS 12 H LYS 12 4.779 2.288 -1.711
85 HA LYS 12 HA LYS 12 5.239 -0.076 -2.312
86 HB2 LYS 12 2HB LYS 12 7.623 0.021 -2.504
87 HB3 LYS 12 1HB LYS 12 6.920 1.641 -2.872
88 HG2 LYS 12 2HG LYS 12 8.142 1.033 -0.207
89 HG3 LYS 12 1HG LYS 12 9.143 1.489 -1.621
90 HD2 LYS 12 2HD LYS 12 7.703 3.593 -1.798
91 HD3 LYS 12 1HD LYS 12 7.013 3.165 -0.233
92 HE2 LYS 12 2HE LYS 12 9.354 3.160 0.739
93 HE3 LYS 12 1HE LYS 12 9.964 3.715 -0.809
94 HZ1 LYS 12 3HZ LYS 12 7.988 5.105 0.857
95 HZ2 LYS 12 1HZ LYS 12 9.616 5.490 0.684
96 HZ3 LYS 12 2HZ LYS 12 8.573 5.637 -0.627
97 H ARG 13 H ARG 13 4.336 -0.213 0.498
98 HA ARG 13 HA ARG 13 5.895 -2.388 1.536
99 HB2 ARG 13 2HB ARG 13 3.520 -0.751 2.331
100 HB3 ARG 13 1HB ARG 13 3.580 -2.402 2.967
101 HG2 ARG 13 2HG ARG 13 5.538 -2.033 4.145
102 HG3 ARG 13 1HG ARG 13 6.041 -0.678 3.085
103 HD2 ARG 13 2HD ARG 13 5.505 0.251 5.192
104 HD3 ARG 13 1HD ARG 13 4.151 0.651 4.084
105 HE ARG 13 HE ARG 13 4.099 -1.220 6.355
106 HH11 ARG 13 2HH2 ARG 13 2.303 0.438 3.794
107 HH12 ARG 13 1HH2 ARG 13 0.752 0.303 4.665
108 HH21 ARG 13 2HH1 ARG 13 2.075 -1.435 7.400
109 HH22 ARG 13 1HH1 ARG 13 0.627 -0.724 6.640
110 H GLU 14 H GLU 14 5.615 -4.354 1.724
111 HA GLU 14 HA GLU 14 4.024 -5.784 -0.296
112 HB2 GLU 14 2HB GLU 14 6.324 -6.490 1.537
113 HB3 GLU 14 1HB GLU 14 5.433 -7.705 0.623
114 HG2 GLU 14 2HG GLU 14 6.072 -6.729 -1.481
115 HG3 GLU 14 1HG GLU 14 6.665 -5.260 -0.706
116 H PHE 15 H PHE 15 2.079 -6.276 0.144
117 HA PHE 15 HA PHE 15 1.235 -7.141 2.876
118 HB2 PHE 15 1HB PHE 15 -0.394 -6.367 0.546
119 HB3 PHE 15 2HB PHE 15 -0.941 -6.707 2.046
120 HD1 PHE 15 2HD PHE 15 1.007 -4.274 0.116
121 HD2 PHE 15 1HD PHE 15 -1.197 -5.079 3.716
122 HE1 PHE 15 2HE PHE 15 1.337 -1.936 0.833
123 HE2 PHE 15 1HE PHE 15 -0.833 -2.740 4.448
124 HZ PHE 15 HZ PHE 15 0.370 -1.150 2.955
125 H ARG 16 H ARG 16 0.748 -9.140 3.247
126 HA ARG 16 HA ARG 16 0.692 -11.123 1.169
127 HB2 ARG 16 2HB ARG 16 1.523 -10.932 3.794
128 HB3 ARG 16 1HB ARG 16 -0.070 -11.723 4.025
129 HG2 ARG 16 2HG ARG 16 2.045 -12.910 2.163
130 HG3 ARG 16 1HG ARG 16 2.001 -13.303 3.847
131 HD2 ARG 16 2HD ARG 16 -0.604 -13.708 3.140
132 HD3 ARG 16 1HD ARG 16 0.303 -14.173 1.671
133 HE ARG 16 HE ARG 16 0.238 -15.546 4.182
134 HH11 ARG 16 2HH2 ARG 16 2.291 -15.137 1.316
135 HH12 ARG 16 1HH2 ARG 16 3.367 -16.476 1.799
136 HH21 ARG 16 2HH1 ARG 16 1.600 -17.250 4.724
137 HH22 ARG 16 1HH1 ARG 16 2.984 -17.639 3.667
138 H SER 17 H SER 17 -1.262 -9.522 0.480
139 HA SER 17 HA SER 17 -3.901 -10.667 1.108
140 HB2 SER 17 2HB SER 17 -3.040 -7.924 2.052
141 HB3 SER 17 1HB SER 17 -4.736 -8.383 1.774
142 HG SER 17 HG SER 17 -3.167 -10.189 3.312
143 H ALA 18 H ALA 18 -5.546 -9.903 -0.155
144 HA ALA 18 HA ALA 18 -4.761 -8.426 -2.645
145 HB1 ALA 18 1HB ALA 18 -6.483 -9.662 -3.768
146 HB2 ALA 18 2HB ALA 18 -5.237 -10.727 -3.076
147 HB3 ALA 18 3HB ALA 18 -6.821 -10.575 -2.279
148 H GLN 19 H GLN 19 -7.938 -9.186 -1.082
149 HA GLN 19 HA GLN 19 -9.183 -6.789 -1.701
150 HB2 GLN 19 2HB GLN 19 -10.267 -8.973 -0.860
151 HB3 GLN 19 1HB GLN 19 -9.717 -8.580 0.750
152 HG2 GLN 19 2HG GLN 19 -11.000 -6.256 0.075
153 HG3 GLN 19 1HG GLN 19 -11.951 -7.468 -0.802
154 HE21 GLN 19 2HE2 GLN 19 -13.150 -9.022 0.340
155 HE22 GLN 19 1HE2 GLN 19 -13.357 -8.942 2.110
156 H ALA 20 H ALA 20 -7.854 -7.618 1.579
157 HA ALA 20 HA ALA 20 -7.959 -5.219 2.783
158 HB1 ALA 20 1HB ALA 20 -6.068 -5.964 4.149
159 HB2 ALA 20 2HB ALA 20 -7.270 -7.249 3.879
160 HB3 ALA 20 3HB ALA 20 -5.739 -7.258 2.971
161 H LEU 21 H LEU 21 -5.629 -6.009 0.192
162 HA LEU 21 HA LEU 21 -3.896 -3.674 0.658
163 HB2 LEU 21 2HB LEU 21 -3.190 -5.967 -0.171
164 HB3 LEU 21 1HB LEU 21 -3.980 -5.503 -1.714
165 HG LEU 21 HG LEU 21 -1.847 -3.814 -0.422
166 HD11 LEU 21 1HD1 LEU 21 -0.296 -5.052 -2.010
167 HD12 LEU 21 2HD1 LEU 21 -1.037 -6.173 -0.843
168 HD13 LEU 21 3HD1 LEU 21 -1.663 -6.077 -2.507
169 HD21 LEU 21 3HD2 LEU 21 -3.087 -2.714 -2.230
170 HD22 LEU 21 1HD2 LEU 21 -1.400 -3.033 -2.698
171 HD23 LEU 21 2HD2 LEU 21 -2.707 -4.067 -3.322
172 H GLY 22 H GLY 22 -6.177 -4.787 -2.012
173 HA2 GLY 22 2HA GLY 22 -6.207 -2.488 -3.559
174 HA3 GLY 22 1HA GLY 22 -7.588 -3.554 -3.340
175 H GLY 23 H GLY 23 -8.361 -3.223 -0.726
176 HA2 GLY 23 2HA GLY 23 -9.575 -0.657 -0.452
177 HA3 GLY 23 1HA GLY 23 -9.357 -1.830 0.814
178 H HIS 24 H HIS 24 -6.400 -1.895 0.789
179 HA HIS 24 HA HIS 24 -6.106 0.191 2.658
180 HB2 HIS 24 2HB HIS 24 -5.016 -1.750 3.139
181 HB3 HIS 24 1HB HIS 24 -4.278 -1.863 1.510
182 HD1 HIS 24 1HD HIS 24 -3.287 -1.360 4.727
183 HD2 HIS 24 2HD HIS 24 -2.596 0.785 1.226
184 HE1 HIS 24 1HE HIS 24 -1.115 0.053 5.147
185 H MET 25 H MET 25 -4.904 -0.297 -0.686
186 HA MET 25 HA MET 25 -3.482 2.060 -1.175
187 HB2 MET 25 2HB MET 25 -4.168 -0.182 -2.520
188 HB3 MET 25 1HB MET 25 -5.306 0.989 -3.259
189 HG2 MET 25 2HG MET 25 -2.323 1.410 -3.078
190 HG3 MET 25 1HG MET 25 -3.157 0.664 -4.484
191 HE1 MET 25 3HE MET 25 -3.571 1.863 -6.466
192 HE2 MET 25 1HE MET 25 -3.013 3.541 -6.665
193 HE3 MET 25 2HE MET 25 -1.907 2.306 -6.017
194 H ASN 26 H ASN 26 -7.030 1.482 -1.563
195 HA ASN 26 HA ASN 26 -7.648 4.148 -2.364
196 HB2 ASN 26 2HB ASN 26 -9.101 1.976 -2.602
197 HB3 ASN 26 1HB ASN 26 -9.535 2.203 -0.928
198 HD21 ASN 26 2HD2 ASN 26 -11.682 2.467 -1.421
199 HD22 ASN 26 1HD2 ASN 26 -12.293 3.964 -2.175
200 H VAL 27 H VAL 27 -7.458 2.739 0.943
201 HA VAL 27 HA VAL 27 -8.405 4.968 2.316
202 HB VAL 27 HB VAL 27 -7.864 2.604 3.065
203 HG11 VAL 27 1HG1 VAL 27 -6.074 2.511 4.724
204 HG12 VAL 27 2HG1 VAL 27 -5.417 2.685 3.080
205 HG13 VAL 27 3HG1 VAL 27 -5.463 4.088 4.173
206 HG21 VAL 27 3HG2 VAL 27 -9.274 4.187 4.149
207 HG22 VAL 27 1HG2 VAL 27 -8.194 3.427 5.341
208 HG23 VAL 27 2HG2 VAL 27 -7.868 5.082 4.773
209 H HIS 28 H HIS 28 -5.301 4.721 0.601
210 HA HIS 28 HA HIS 28 -3.776 6.553 1.933
211 HB2 HIS 28 2HB HIS 28 -3.975 5.931 -0.986
212 HB3 HIS 28 1HB HIS 28 -2.733 6.999 -0.260
213 HD1 HIS 28 1HD HIS 28 -2.366 5.248 2.282
214 HD2 HIS 28 2HD HIS 28 -2.216 3.890 -1.650
215 HE1 HIS 28 1HE HIS 28 -0.919 3.055 2.316
216 H ARG 29 H ARG 29 -5.963 7.273 -0.854
217 HA ARG 29 HA ARG 29 -6.630 9.258 -1.742
218 HB2 ARG 29 2HB ARG 29 -7.926 8.322 0.635
219 HB3 ARG 29 1HB ARG 29 -7.784 10.040 0.919
220 HG2 ARG 29 2HG ARG 29 -8.910 8.976 -1.679
221 HG3 ARG 29 1HG ARG 29 -9.900 9.204 -0.235
222 HD2 ARG 29 2HD ARG 29 -9.929 11.437 -0.466
223 HD3 ARG 29 1HD ARG 29 -8.189 11.515 -0.849
224 HE ARG 29 HE ARG 29 -9.550 10.305 -3.005
225 HH11 ARG 29 2HH2 ARG 29 -9.552 13.503 -1.478
226 HH12 ARG 29 1HH2 ARG 29 -9.796 14.349 -3.029
227 HH21 ARG 29 2HH1 ARG 29 -9.879 11.425 -4.966
228 HH22 ARG 29 1HH1 ARG 29 -9.977 13.206 -4.946
229 H ARG 30 H ARG 30 -4.653 10.229 -2.200
230 HA ARG 30 HA ARG 30 -2.691 11.509 -1.833
231 HB2 ARG 30 2HB ARG 30 -5.153 13.185 -1.885
232 HB3 ARG 30 1HB ARG 30 -3.660 13.968 -1.337
233 HG2 ARG 30 2HG ARG 30 -3.051 14.162 -3.573
234 HG3 ARG 30 1HG ARG 30 -2.909 12.441 -3.654
235 HD2 ARG 30 2HD ARG 30 -4.381 12.793 -5.334
236 HD3 ARG 30 1HD ARG 30 -5.545 12.564 -4.033
237 HE ARG 30 HE ARG 30 -4.972 15.253 -3.997
238 HH11 ARG 30 2HH2 ARG 30 -6.473 12.969 -6.261
239 HH12 ARG 30 1HH2 ARG 30 -7.360 14.261 -7.115
240 HH21 ARG 30 2HH1 ARG 30 -6.128 16.867 -5.133
241 HH22 ARG 30 1HH1 ARG 30 -7.172 16.388 -6.498
242 H ASP 31 H ASP 31 -1.991 10.211 -0.181
243 HA ASP 31 HA ASP 31 -1.854 11.392 2.439
244 HB2 ASP 31 2HB ASP 31 -0.706 8.995 1.157
245 HB3 ASP 31 1HB ASP 31 -0.031 9.612 2.701
246 H ARG 32 H ARG 32 0.895 10.637 0.219
247 HA ARG 32 HA ARG 32 3.012 11.424 0.055
248 HB2 ARG 32 2HB ARG 32 1.540 13.275 -1.107
249 HB3 ARG 32 1HB ARG 32 1.722 14.209 0.340
250 HG2 ARG 32 2HG ARG 32 4.204 14.095 0.058
251 HG3 ARG 32 1HG ARG 32 3.931 13.282 -1.490
252 HD2 ARG 32 2HD ARG 32 2.435 15.248 -2.137
253 HD3 ARG 32 1HD ARG 32 3.020 16.070 -0.680
254 HE ARG 32 HE ARG 32 4.943 15.011 -2.646
255 HH11 ARG 32 2HH2 ARG 32 3.913 17.756 -0.651
256 HH12 ARG 32 1HH2 ARG 32 5.107 18.849 -1.401
257 HH21 ARG 32 2HH1 ARG 32 6.440 16.427 -3.547
258 HH22 ARG 32 1HH1 ARG 32 6.494 18.119 -2.984
259 H ALA 33 H ALA 33 3.812 10.443 1.828
260 HA ALA 33 HA ALA 33 4.638 10.131 3.910
261 HB1 ALA 33 1HB ALA 33 6.374 11.706 4.495
262 HB2 ALA 33 2HB ALA 33 6.403 11.200 2.789
263 HB3 ALA 33 3HB ALA 33 5.782 12.809 3.230
264 H ARG 34 H ARG 34 2.722 9.977 5.118
265 HA ARG 34 HA ARG 34 1.839 12.388 6.626
266 HB2 ARG 34 2HB ARG 34 -0.281 11.111 6.907
267 HB3 ARG 34 1HB ARG 34 0.080 11.518 5.197
268 HG2 ARG 34 2HG ARG 34 -0.401 9.308 4.759
269 HG3 ARG 34 1HG ARG 34 1.130 8.924 5.483
270 HD2 ARG 34 2HD ARG 34 -0.310 7.558 6.624
271 HD3 ARG 34 1HD ARG 34 -0.204 8.926 7.738
272 HE ARG 34 HE ARG 34 -2.308 9.375 5.896
273 HH11 ARG 34 2HH2 ARG 34 -1.604 7.723 8.954
274 HH12 ARG 34 1HH2 ARG 34 -3.328 7.385 9.263
275 HH21 ARG 34 2HH1 ARG 34 -4.466 8.970 6.346
276 HH22 ARG 34 1HH1 ARG 34 -4.906 8.079 7.827
277 H LEU 35 H LEU 35 3.243 12.484 8.144
278 HA LEU 35 HA LEU 35 4.388 12.044 10.047
279 HB2 LEU 35 2HB LEU 35 3.151 11.434 11.933
280 HB3 LEU 35 1HB LEU 35 2.274 12.596 10.882
281 HG LEU 35 HG LEU 35 1.454 9.903 10.237
282 HD11 LEU 35 1HD1 LEU 35 0.425 9.275 12.354
283 HD12 LEU 35 2HD1 LEU 35 2.200 9.301 12.477
284 HD13 LEU 35 3HD1 LEU 35 1.241 10.632 13.166
285 HD21 LEU 35 3HD2 LEU 35 0.174 11.976 9.818
286 HD22 LEU 35 1HD2 LEU 35 -0.749 10.824 10.813
287 HD23 LEU 35 2HD2 LEU 35 0.026 12.235 11.573
288 H ARG 36 H ARG 36 5.378 10.257 8.254
289 HA ARG 36 HA ARG 36 5.851 7.797 9.689
290 HB2 ARG 36 2HB ARG 36 3.580 7.944 7.982
291 HB3 ARG 36 1HB ARG 36 4.809 7.161 6.989
292 HG2 ARG 36 2HG ARG 36 4.910 5.285 8.355
293 HG3 ARG 36 1HG ARG 36 4.488 6.178 9.814
294 HD2 ARG 36 2HD ARG 36 2.334 6.261 7.860
295 HD3 ARG 36 1HD ARG 36 2.806 4.588 8.283
296 HE ARG 36 HE ARG 36 2.692 6.219 10.619
297 HH11 ARG 36 2HH2 ARG 36 0.234 5.238 8.280
298 HH12 ARG 36 1HH2 ARG 36 -0.981 4.933 9.551
299 HH21 ARG 36 2HH1 ARG 36 1.118 5.852 12.199
300 HH22 ARG 36 1HH1 ARG 36 -0.496 5.277 11.703
301 H LEU 37 H LEU 37 7.461 6.505 8.821
302 HA LEU 37 HA LEU 37 9.241 7.766 6.749
303 HB2 LEU 37 2HB LEU 37 9.976 8.073 9.086
304 HB3 LEU 37 1HB LEU 37 10.006 6.290 9.263
305 HG LEU 37 HG LEU 37 11.545 7.230 6.942
306 HD11 LEU 37 1HD1 LEU 37 13.378 8.202 8.257
307 HD12 LEU 37 2HD1 LEU 37 11.901 9.184 8.400
308 HD13 LEU 37 3HD1 LEU 37 12.385 8.105 9.730
309 HD21 LEU 37 3HD2 LEU 37 11.641 4.944 7.883
310 HD22 LEU 37 1HD2 LEU 37 13.228 5.746 7.948
311 HD23 LEU 37 2HD2 LEU 37 12.241 5.607 9.422
312 HN1 NH2 38 3HN NH2 38 8.032 5.600 5.052
313 HN2 NH2 38 2HN NH2 38 9.221 6.853 5.184
Start of MODEL 6
1 H1 ACE 0 2H1 ACE 0 11.808 -2.750 -6.872
2 H2 ACE 0 3H1 ACE 0 11.793 -1.283 -5.866
3 H3 ACE 0 1H1 ACE 0 13.106 -2.470 -5.688
4 H TRP 1 H TRP 1 12.487 -2.326 -3.419
5 HA TRP 1 HA TRP 1 11.403 -3.195 -1.542
6 HB2 TRP 1 2HB TRP 1 9.066 -3.768 -3.370
7 HB3 TRP 1 1HB TRP 1 9.069 -3.607 -1.585
8 HD1 TRP 1 HD TRP 1 10.441 -0.939 -1.210
9 HE1 TRP 1 1HE TRP 1 9.269 1.352 -1.918
10 HE3 TRP 1 3HE TRP 1 7.064 -2.821 -4.389
11 HZ2 TRP 1 2HZ TRP 1 7.157 2.051 -3.680
12 HZ3 TRP 1 3HZ TRP 1 5.940 -1.433 -5.941
13 HH2 TRP 1 HH TRP 1 5.808 1.098 -5.559
14 HA PRO 2 HA PRO 2 12.515 -7.495 -1.801
15 HB2 PRO 2 2HB PRO 2 11.643 -8.309 0.608
16 HB3 PRO 2 1HB PRO 2 13.039 -7.242 0.463
17 HG2 PRO 2 2HG PRO 2 10.137 -6.479 1.073
18 HG3 PRO 2 1HG PRO 2 11.589 -5.982 1.933
19 HD2 PRO 2 1HD PRO 2 10.504 -4.379 -0.079
20 HD3 PRO 2 2HD PRO 2 12.315 -4.523 0.083
21 HA PRO 3 HA PRO 3 8.960 -9.779 -3.086
22 HB2 PRO 3 2HB PRO 3 9.751 -12.363 -2.639
23 HB3 PRO 3 1HB PRO 3 10.351 -11.390 -3.982
24 HG2 PRO 3 2HG PRO 3 11.660 -11.876 -1.261
25 HG3 PRO 3 1HG PRO 3 12.403 -11.961 -2.857
26 HD2 PRO 3 1HD PRO 3 12.573 -9.639 -1.302
27 HD3 PRO 3 2HD PRO 3 12.383 -9.515 -3.115
28 H ARG 4 H ARG 4 10.295 -10.703 0.155
29 HA ARG 4 HA ARG 4 7.576 -11.364 1.125
30 HB2 ARG 4 2HB ARG 4 10.375 -11.806 2.038
31 HB3 ARG 4 1HB ARG 4 9.024 -11.751 3.234
32 HG2 ARG 4 2HG ARG 4 8.023 -13.712 2.357
33 HG3 ARG 4 1HG ARG 4 8.556 -13.369 0.722
34 HD2 ARG 4 2HD ARG 4 10.885 -13.858 1.588
35 HD3 ARG 4 1HD ARG 4 9.991 -14.631 2.976
36 HE ARG 4 HE ARG 4 8.644 -15.488 0.754
37 HH11 ARG 4 2HH2 ARG 4 12.077 -15.877 1.580
38 HH12 ARG 4 1HH2 ARG 4 12.227 -17.353 0.589
39 HH21 ARG 4 2HH1 ARG 4 8.886 -17.320 -0.501
40 HH22 ARG 4 1HH1 ARG 4 10.465 -18.149 -0.560
41 H SER 5 H SER 5 6.367 -10.383 2.223
42 HA SER 5 HA SER 5 5.226 -8.627 3.176
43 HB2 SER 5 2HB SER 5 6.064 -7.475 4.990
44 HB3 SER 5 1HB SER 5 6.833 -9.032 5.078
45 HG SER 5 HG SER 5 8.676 -7.977 3.891
46 H TYR 6 H TYR 6 4.601 -6.597 2.848
47 HA TYR 6 HA TYR 6 6.363 -4.845 1.095
48 HB2 TYR 6 1HB TYR 6 3.477 -5.360 0.779
49 HB3 TYR 6 2HB TYR 6 4.268 -4.131 0.051
50 HD1 TYR 6 2HD TYR 6 5.848 -4.452 -1.755
51 HD2 TYR 6 1HD TYR 6 3.656 -7.694 0.015
52 HE1 TYR 6 2HE TYR 6 6.322 -5.835 -3.735
53 HE2 TYR 6 1HE TYR 6 4.129 -9.096 -1.970
54 HH TYR 6 HH TYR 6 5.847 -9.049 -4.220
55 H THR 7 H THR 7 6.364 -2.758 1.297
56 HA THR 7 HA THR 7 5.498 -1.630 3.858
57 HB THR 7 HB THR 7 7.244 -0.674 1.587
58 HG1 THR 7 1HG THR 7 7.666 -1.830 4.208
59 HG21 THR 7 3HG2 THR 7 6.886 0.606 4.313
60 HG22 THR 7 1HG2 THR 7 8.098 1.055 3.090
61 HG23 THR 7 2HG2 THR 7 6.367 1.293 2.756
62 H CYS 8 H CYS 8 4.255 0.299 4.023
63 HA CYS 8 HA CYS 8 2.241 0.554 1.918
64 HB2 CYS 8 2HB CYS 8 1.969 0.227 4.628
65 HB3 CYS 8 1HB CYS 8 1.751 1.975 4.423
66 H SER 9 H SER 9 5.106 2.042 3.055
67 HA SER 9 HA SER 9 6.223 4.013 2.737
68 HB2 SER 9 2HB SER 9 5.902 5.553 1.310
69 HB3 SER 9 1HB SER 9 5.227 4.083 0.540
70 HG SER 9 HG SER 9 3.377 5.082 0.319
71 H PHE 10 H PHE 10 2.767 4.968 3.203
72 HA PHE 10 HA PHE 10 3.163 7.008 5.060
73 HB2 PHE 10 1HB PHE 10 0.978 5.203 4.457
74 HB3 PHE 10 2HB PHE 10 0.880 6.097 5.820
75 HD1 PHE 10 1HD PHE 10 1.417 6.521 2.188
76 HD2 PHE 10 2HD PHE 10 -0.315 7.989 5.829
77 HE1 PHE 10 1HE PHE 10 0.100 8.178 0.899
78 HE2 PHE 10 2HE PHE 10 -1.657 9.624 4.542
79 HZ PHE 10 HZ PHE 10 -1.438 9.731 2.073
80 H CYS 11 H CYS 11 2.763 3.418 5.967
81 HA CYS 11 HA CYS 11 3.379 4.411 8.659
82 HB2 CYS 11 2HB CYS 11 2.616 2.202 9.428
83 HB3 CYS 11 1HB CYS 11 1.360 3.096 8.549
84 H LYS 12 H LYS 12 5.361 3.880 6.166
85 HA LYS 12 HA LYS 12 6.805 1.998 5.430
86 HB2 LYS 12 2HB LYS 12 8.855 2.517 6.580
87 HB3 LYS 12 1HB LYS 12 7.972 4.007 6.066
88 HG2 LYS 12 2HG LYS 12 7.873 3.122 8.955
89 HG3 LYS 12 1HG LYS 12 9.265 3.984 8.359
90 HD2 LYS 12 2HD LYS 12 7.361 5.675 7.416
91 HD3 LYS 12 1HD LYS 12 6.459 4.987 8.724
92 HE2 LYS 12 2HE LYS 12 9.218 6.124 9.045
93 HE3 LYS 12 1HE LYS 12 7.685 7.036 9.239
94 HZ1 LYS 12 3HZ LYS 12 8.554 4.738 10.849
95 HZ2 LYS 12 1HZ LYS 12 8.590 6.353 11.314
96 HZ3 LYS 12 2HZ LYS 12 7.117 5.593 11.030
97 H ARG 13 H ARG 13 4.844 0.810 7.242
98 HA ARG 13 HA ARG 13 6.464 -1.296 8.444
99 HB2 ARG 13 2HB ARG 13 3.765 -0.105 8.785
100 HB3 ARG 13 1HB ARG 13 3.763 -1.867 8.862
101 HG2 ARG 13 2HG ARG 13 5.154 -1.897 10.805
102 HG3 ARG 13 1HG ARG 13 5.857 -0.353 10.474
103 HD2 ARG 13 2HD ARG 13 4.425 -0.281 12.359
104 HD3 ARG 13 1HD ARG 13 3.783 0.760 11.046
105 HE ARG 13 HE ARG 13 1.883 -0.389 11.130
106 HH11 ARG 13 2HH2 ARG 13 4.239 -2.555 12.698
107 HH12 ARG 13 1HH2 ARG 13 2.973 -3.745 13.102
108 HH21 ARG 13 2HH1 ARG 13 0.342 -1.898 11.725
109 HH22 ARG 13 1HH1 ARG 13 0.845 -3.385 12.573
110 H GLU 14 H GLU 14 6.404 -3.325 8.063
111 HA GLU 14 HA GLU 14 5.846 -4.164 5.293
112 HB2 GLU 14 2HB GLU 14 7.524 -5.334 7.575
113 HB3 GLU 14 1HB GLU 14 7.337 -6.099 6.022
114 HG2 GLU 14 2HG GLU 14 8.377 -4.176 4.907
115 HG3 GLU 14 1HG GLU 14 8.503 -3.330 6.450
116 H PHE 15 H PHE 15 3.968 -5.014 4.890
117 HA PHE 15 HA PHE 15 2.596 -6.780 6.876
118 HB2 PHE 15 1HB PHE 15 1.698 -5.428 4.431
119 HB3 PHE 15 2HB PHE 15 0.816 -6.576 5.185
120 HD1 PHE 15 1HD PHE 15 2.535 -3.430 6.278
121 HD2 PHE 15 2HD PHE 15 -1.045 -5.799 6.159
122 HE1 PHE 15 1HE PHE 15 1.539 -2.016 8.043
123 HE2 PHE 15 2HE PHE 15 -2.059 -4.357 7.897
124 HZ PHE 15 HZ PHE 15 -0.664 -2.618 9.006
125 H ARG 16 H ARG 16 2.529 -8.895 6.641
126 HA ARG 16 HA ARG 16 3.359 -10.270 4.181
127 HB2 ARG 16 2HB ARG 16 3.019 -12.271 5.440
128 HB3 ARG 16 1HB ARG 16 3.920 -11.094 6.465
129 HG2 ARG 16 2HG ARG 16 0.968 -11.593 6.743
130 HG3 ARG 16 1HG ARG 16 2.216 -12.549 7.606
131 HD2 ARG 16 2HD ARG 16 3.025 -10.479 8.672
132 HD3 ARG 16 1HD ARG 16 1.727 -9.567 7.854
133 HE ARG 16 HE ARG 16 1.439 -11.540 10.024
134 HH11 ARG 16 2HH2 ARG 16 -0.220 -9.239 7.874
135 HH12 ARG 16 1HH2 ARG 16 -1.746 -9.369 8.789
136 HH21 ARG 16 2HH1 ARG 16 -0.516 -11.656 11.139
137 HH22 ARG 16 1HH1 ARG 16 -1.907 -10.690 10.575
138 H SER 17 H SER 17 1.500 -8.589 3.408
139 HA SER 17 HA SER 17 -0.899 -10.200 2.765
140 HB2 SER 17 2HB SER 17 -0.900 -7.516 4.195
141 HB3 SER 17 1HB SER 17 -2.295 -8.159 3.314
142 HG SER 17 HG SER 17 -1.154 -10.016 5.068
143 H ALA 18 H ALA 18 -2.042 -9.454 0.981
144 HA ALA 18 HA ALA 18 -0.669 -7.435 -0.750
145 HB1 ALA 18 1HB ALA 18 -1.650 -8.580 -2.616
146 HB2 ALA 18 2HB ALA 18 -0.592 -9.640 -1.654
147 HB3 ALA 18 3HB ALA 18 -2.360 -9.787 -1.518
148 H GLN 19 H GLN 19 -4.040 -8.743 -0.796
149 HA GLN 19 HA GLN 19 -5.254 -6.306 -1.425
150 HB2 GLN 19 2HB GLN 19 -6.074 -8.854 -1.419
151 HB3 GLN 19 1HB GLN 19 -6.753 -8.376 0.152
152 HG2 GLN 19 2HG GLN 19 -7.493 -6.221 -1.426
153 HG3 GLN 19 1HG GLN 19 -7.569 -7.529 -2.596
154 HE21 GLN 19 2HE2 GLN 19 -8.937 -6.079 0.226
155 HE22 GLN 19 1HE2 GLN 19 -10.349 -7.161 0.363
156 H ALA 20 H ALA 20 -4.990 -7.782 1.879
157 HA ALA 20 HA ALA 20 -6.165 -5.755 3.396
158 HB1 ALA 20 1HB ALA 20 -4.822 -6.528 5.202
159 HB2 ALA 20 2HB ALA 20 -5.505 -7.886 4.278
160 HB3 ALA 20 3HB ALA 20 -3.791 -7.450 4.081
161 H LEU 21 H LEU 21 -2.878 -5.691 1.910
162 HA LEU 21 HA LEU 21 -2.000 -3.315 3.374
163 HB2 LEU 21 2HB LEU 21 -0.524 -5.261 2.435
164 HB3 LEU 21 1HB LEU 21 -0.725 -4.506 0.894
165 HG LEU 21 HG LEU 21 0.172 -2.894 3.239
166 HD11 LEU 21 1HD1 LEU 21 2.487 -3.583 2.490
167 HD12 LEU 21 2HD1 LEU 21 1.546 -4.994 3.028
168 HD13 LEU 21 3HD1 LEU 21 1.752 -4.672 1.290
169 HD21 LEU 21 3HD2 LEU 21 -0.342 -1.655 1.179
170 HD22 LEU 21 1HD2 LEU 21 1.403 -1.635 1.530
171 HD23 LEU 21 2HD2 LEU 21 0.762 -2.710 0.264
172 H GLY 22 H GLY 22 -2.919 -3.985 -0.131
173 HA2 GLY 22 2HA GLY 22 -2.935 -1.395 -1.097
174 HA3 GLY 22 1HA GLY 22 -4.061 -2.642 -1.610
175 H GLY 23 H GLY 23 -5.733 -3.090 0.493
176 HA2 GLY 23 2HA GLY 23 -7.473 -0.852 0.789
177 HA3 GLY 23 1HA GLY 23 -7.468 -2.273 1.783
178 H HIS 24 H HIS 24 -4.729 -1.938 2.878
179 HA HIS 24 HA HIS 24 -5.533 -0.385 5.085
180 HB2 HIS 24 2HB HIS 24 -4.258 -2.212 5.559
181 HB3 HIS 24 1HB HIS 24 -3.024 -1.802 4.327
182 HD1 HIS 24 1HD HIS 24 -3.307 -1.981 7.724
183 HD2 HIS 24 2HD HIS 24 -1.930 1.009 5.177
184 HE1 HIS 24 1HE HIS 24 -1.749 -0.443 9.173
185 H MET 25 H MET 25 -3.211 0.179 2.398
186 HA MET 25 HA MET 25 -2.310 2.771 2.979
187 HB2 MET 25 2HB MET 25 -1.669 0.991 1.130
188 HB3 MET 25 1HB MET 25 -2.888 1.792 0.174
189 HG2 MET 25 2HG MET 25 -1.702 3.813 0.110
190 HG3 MET 25 1HG MET 25 -0.750 3.428 1.539
191 HE1 MET 25 3HE MET 25 1.288 4.338 0.014
192 HE2 MET 25 1HE MET 25 1.762 3.598 -1.533
193 HE3 MET 25 2HE MET 25 0.220 4.478 -1.403
194 H ASN 26 H ASN 26 -5.251 1.794 1.107
195 HA ASN 26 HA ASN 26 -6.226 4.398 0.661
196 HB2 ASN 26 2HB ASN 26 -6.979 2.086 -0.349
197 HB3 ASN 26 1HB ASN 26 -7.972 1.920 1.087
198 HD21 ASN 26 2HD2 ASN 26 -9.782 3.268 1.404
199 HD22 ASN 26 1HD2 ASN 26 -10.434 4.250 0.065
200 H VAL 27 H VAL 27 -6.763 2.278 3.537
201 HA VAL 27 HA VAL 27 -8.586 3.971 4.830
202 HB VAL 27 HB VAL 27 -7.988 1.577 5.248
203 HG11 VAL 27 1HG1 VAL 27 -6.812 1.183 7.353
204 HG12 VAL 27 2HG1 VAL 27 -5.704 1.797 6.105
205 HG13 VAL 27 3HG1 VAL 27 -6.283 2.881 7.391
206 HG21 VAL 27 3HG2 VAL 27 -9.873 2.740 6.088
207 HG22 VAL 27 1HG2 VAL 27 -9.131 1.773 7.384
208 HG23 VAL 27 2HG2 VAL 27 -8.887 3.535 7.338
209 H HIS 28 H HIS 28 -5.116 4.505 4.408
210 HA HIS 28 HA HIS 28 -4.492 6.062 6.568
211 HB2 HIS 28 2HB HIS 28 -3.576 6.171 3.727
212 HB3 HIS 28 1HB HIS 28 -2.890 7.183 5.037
213 HD1 HIS 28 1HD HIS 28 -3.179 4.804 7.121
214 HD2 HIS 28 2HD HIS 28 -1.181 4.721 3.469
215 HE1 HIS 28 1HE HIS 28 -1.384 2.899 7.310
216 H ARG 29 H ARG 29 -5.153 7.622 3.377
217 HA ARG 29 HA ARG 29 -7.396 9.215 4.183
218 HB2 ARG 29 2HB ARG 29 -5.412 10.312 5.507
219 HB3 ARG 29 1HB ARG 29 -4.932 10.914 3.918
220 HG2 ARG 29 2HG ARG 29 -7.793 11.333 4.205
221 HG3 ARG 29 1HG ARG 29 -7.004 11.957 5.628
222 HD2 ARG 29 2HD ARG 29 -6.190 12.678 2.788
223 HD3 ARG 29 1HD ARG 29 -7.233 13.639 3.824
224 HE ARG 29 HE ARG 29 -4.395 13.416 3.914
225 HH11 ARG 29 2HH2 ARG 29 -7.139 14.004 6.108
226 HH12 ARG 29 1HH2 ARG 29 -6.134 14.969 7.223
227 HH21 ARG 29 2HH1 ARG 29 -3.183 14.631 5.371
228 HH22 ARG 29 1HH1 ARG 29 -3.972 15.309 6.820
229 H ARG 30 H ARG 30 -8.355 9.627 2.443
230 HA ARG 30 HA ARG 30 -8.976 9.941 0.277
231 HB2 ARG 30 2HB ARG 30 -7.147 11.827 0.550
232 HB3 ARG 30 1HB ARG 30 -6.155 10.759 -0.452
233 HG2 ARG 30 2HG ARG 30 -8.143 10.711 -2.116
234 HG3 ARG 30 1HG ARG 30 -8.836 12.021 -1.189
235 HD2 ARG 30 2HD ARG 30 -6.914 13.366 -1.543
236 HD3 ARG 30 1HD ARG 30 -6.133 11.996 -2.452
237 HE ARG 30 HE ARG 30 -8.835 12.671 -3.311
238 HH11 ARG 30 2HH2 ARG 30 -5.430 13.303 -4.111
239 HH12 ARG 30 1HH2 ARG 30 -5.849 13.911 -5.735
240 HH21 ARG 30 2HH1 ARG 30 -9.304 13.373 -5.363
241 HH22 ARG 30 1HH1 ARG 30 -7.993 13.947 -6.428
242 H ASP 31 H ASP 31 -9.086 9.078 -1.708
243 HA ASP 31 HA ASP 31 -7.756 6.417 -1.971
244 HB2 ASP 31 2HB ASP 31 -9.701 5.904 -3.415
245 HB3 ASP 31 1HB ASP 31 -9.938 5.957 -1.630
246 H ARG 32 H ARG 32 -5.929 7.122 -3.065
247 HA ARG 32 HA ARG 32 -5.881 8.729 -5.446
248 HB2 ARG 32 2HB ARG 32 -4.007 6.536 -4.464
249 HB3 ARG 32 1HB ARG 32 -3.725 7.489 -5.904
250 HG2 ARG 32 2HG ARG 32 -3.951 9.576 -4.334
251 HG3 ARG 32 1HG ARG 32 -3.757 8.439 -3.025
252 HD2 ARG 32 2HD ARG 32 -1.771 8.721 -5.320
253 HD3 ARG 32 1HD ARG 32 -1.609 9.476 -3.753
254 HE ARG 32 HE ARG 32 -2.000 6.741 -3.345
255 HH11 ARG 32 2HH2 ARG 32 0.483 8.866 -4.763
256 HH12 ARG 32 1HH2 ARG 32 1.799 7.738 -4.339
257 HH21 ARG 32 2HH1 ARG 32 -0.283 5.356 -2.849
258 HH22 ARG 32 1HH1 ARG 32 1.380 5.823 -3.295
259 H ALA 33 H ALA 33 -5.881 8.340 -7.559
260 HA ALA 33 HA ALA 33 -7.759 6.605 -8.699
261 HB1 ALA 33 1HB ALA 33 -6.699 7.169 -10.804
262 HB2 ALA 33 2HB ALA 33 -6.864 8.608 -9.770
263 HB3 ALA 33 3HB ALA 33 -5.282 7.813 -9.942
264 H ARG 34 H ARG 34 -7.871 4.611 -9.398
265 HA ARG 34 HA ARG 34 -5.466 2.889 -9.138
266 HB2 ARG 34 2HB ARG 34 -7.395 2.474 -7.459
267 HB3 ARG 34 1HB ARG 34 -8.421 2.082 -8.812
268 HG2 ARG 34 2HG ARG 34 -5.889 0.549 -8.856
269 HG3 ARG 34 1HG ARG 34 -6.845 0.274 -7.426
270 HD2 ARG 34 2HD ARG 34 -8.002 0.099 -10.226
271 HD3 ARG 34 1HD ARG 34 -7.327 -1.266 -9.344
272 HE ARG 34 HE ARG 34 -9.861 -0.010 -8.959
273 HH11 ARG 34 2HH2 ARG 34 -7.415 -1.942 -7.242
274 HH12 ARG 34 1HH2 ARG 34 -8.590 -2.479 -6.010
275 HH21 ARG 34 2HH1 ARG 34 -11.305 -0.743 -7.375
276 HH22 ARG 34 1HH1 ARG 34 -10.715 -1.824 -6.084
277 H LEU 35 H LEU 35 -4.675 2.201 -10.872
278 HA LEU 35 HA LEU 35 -4.263 1.643 -13.095
279 HB2 LEU 35 2HB LEU 35 -6.662 0.252 -12.412
280 HB3 LEU 35 1HB LEU 35 -6.707 0.746 -14.080
281 HG LEU 35 HG LEU 35 -4.274 -0.601 -12.880
282 HD11 LEU 35 1HD1 LEU 35 -5.201 -2.665 -13.827
283 HD12 LEU 35 2HD1 LEU 35 -6.275 -2.010 -12.569
284 HD13 LEU 35 3HD1 LEU 35 -6.687 -1.801 -14.287
285 HD21 LEU 35 3HD2 LEU 35 -3.928 0.611 -15.005
286 HD22 LEU 35 1HD2 LEU 35 -3.827 -1.153 -15.220
287 HD23 LEU 35 2HD2 LEU 35 -5.291 -0.278 -15.726
288 H ARG 36 H ARG 36 -3.721 3.747 -13.646
289 HA ARG 36 HA ARG 36 -5.698 5.164 -15.371
290 HB2 ARG 36 2HB ARG 36 -4.727 7.256 -14.711
291 HB3 ARG 36 1HB ARG 36 -5.271 6.390 -13.239
292 HG2 ARG 36 2HG ARG 36 -3.195 6.370 -12.369
293 HG3 ARG 36 1HG ARG 36 -2.453 5.890 -13.909
294 HD2 ARG 36 2HD ARG 36 -2.769 8.285 -14.701
295 HD3 ARG 36 1HD ARG 36 -3.261 8.698 -13.046
296 HE ARG 36 HE ARG 36 -0.884 7.347 -12.752
297 HH11 ARG 36 2HH2 ARG 36 -1.745 10.206 -14.681
298 HH12 ARG 36 1HH2 ARG 36 -0.140 10.949 -14.444
299 HH21 ARG 36 2HH1 ARG 36 1.157 8.303 -12.555
300 HH22 ARG 36 1HH1 ARG 36 1.448 9.906 -13.283
301 H LEU 37 H LEU 37 -4.888 6.314 -17.135
302 HA LEU 37 HA LEU 37 -2.434 5.142 -18.281
303 HB2 LEU 37 2HB LEU 37 -4.994 6.075 -19.404
304 HB3 LEU 37 1HB LEU 37 -3.635 6.742 -20.255
305 HG LEU 37 HG LEU 37 -2.711 4.339 -20.326
306 HD11 LEU 37 1HD1 LEU 37 -4.349 2.567 -20.247
307 HD12 LEU 37 2HD1 LEU 37 -4.103 3.324 -18.655
308 HD13 LEU 37 3HD1 LEU 37 -5.561 3.701 -19.604
309 HD21 LEU 37 3HD2 LEU 37 -3.625 5.604 -22.250
310 HD22 LEU 37 1HD2 LEU 37 -4.108 3.893 -22.318
311 HD23 LEU 37 2HD2 LEU 37 -5.274 5.125 -21.781
312 HN1 NH2 38 3HN NH2 38 -1.919 6.328 -16.462
313 HN2 NH2 38 2HN NH2 38 -1.408 5.515 -17.904
Start of MODEL 7
1 H1 ACE 0 2H1 ACE 0 15.668 -9.010 -6.247
2 H2 ACE 0 3H1 ACE 0 14.979 -8.677 -4.641
3 H3 ACE 0 1H1 ACE 0 15.206 -10.357 -5.181
4 H TRP 1 H TRP 1 13.882 -11.235 -6.762
5 HA TRP 1 HA TRP 1 11.190 -9.975 -6.829
6 HB2 TRP 1 2HB TRP 1 12.690 -9.364 -8.906
7 HB3 TRP 1 1HB TRP 1 12.287 -11.040 -9.395
8 HD1 TRP 1 HD TRP 1 10.219 -11.196 -10.754
9 HE1 TRP 1 1HE TRP 1 7.948 -9.831 -11.095
10 HE3 TRP 1 3HE TRP 1 10.895 -7.775 -7.166
11 HZ2 TRP 1 2HZ TRP 1 6.790 -7.548 -9.874
12 HZ3 TRP 1 3HZ TRP 1 9.624 -5.781 -7.121
13 HH2 TRP 1 HH TRP 1 7.396 -5.634 -8.380
14 HA PRO 2 HA PRO 2 11.393 -14.606 -6.209
15 HB2 PRO 2 2HB PRO 2 10.516 -14.826 -3.669
16 HB3 PRO 2 1HB PRO 2 12.218 -14.545 -4.038
17 HG2 PRO 2 2HG PRO 2 10.106 -12.532 -3.169
18 HG3 PRO 2 1HG PRO 2 11.776 -12.676 -2.620
19 HD2 PRO 2 1HD PRO 2 10.982 -10.880 -4.640
20 HD3 PRO 2 2HD PRO 2 12.646 -11.603 -4.587
21 HA PRO 3 HA PRO 3 7.147 -14.802 -7.275
22 HB2 PRO 3 2HB PRO 3 6.658 -17.478 -7.219
23 HB3 PRO 3 1HB PRO 3 7.714 -16.739 -8.420
24 HG2 PRO 3 2HG PRO 3 8.505 -18.088 -5.787
25 HG3 PRO 3 1HG PRO 3 9.178 -18.369 -7.390
26 HD2 PRO 3 1HD PRO 3 10.363 -16.552 -5.604
27 HD3 PRO 3 2HD PRO 3 10.349 -16.205 -7.397
28 H ARG 4 H ARG 4 7.398 -13.923 -4.664
29 HA ARG 4 HA ARG 4 4.777 -14.400 -3.596
30 HB2 ARG 4 2HB ARG 4 6.888 -16.111 -2.630
31 HB3 ARG 4 1HB ARG 4 6.404 -14.972 -1.339
32 HG2 ARG 4 2HG ARG 4 4.178 -15.701 -1.348
33 HG3 ARG 4 1HG ARG 4 4.305 -16.363 -3.008
34 HD2 ARG 4 2HD ARG 4 4.133 -18.247 -1.671
35 HD3 ARG 4 1HD ARG 4 5.898 -18.090 -1.962
36 HE ARG 4 HE ARG 4 6.194 -17.994 0.245
37 HH11 ARG 4 2HH2 ARG 4 2.980 -16.552 -0.172
38 HH12 ARG 4 1HH2 ARG 4 2.604 -16.700 1.566
39 HH21 ARG 4 2HH1 ARG 4 5.682 -18.100 2.440
40 HH22 ARG 4 1HH1 ARG 4 4.081 -17.540 2.992
41 H SER 5 H SER 5 6.463 -12.176 -4.556
42 HA SER 5 HA SER 5 5.662 -10.216 -2.590
43 HB2 SER 5 2HB SER 5 7.774 -9.309 -2.026
44 HB3 SER 5 1HB SER 5 7.757 -11.016 -1.522
45 HG SER 5 HG SER 5 8.739 -10.224 -4.111
46 H TYR 6 H TYR 6 5.395 -8.306 -3.474
47 HA TYR 6 HA TYR 6 6.630 -7.561 -6.027
48 HB2 TYR 6 1HB TYR 6 3.719 -7.971 -5.685
49 HB3 TYR 6 2HB TYR 6 4.342 -7.042 -6.874
50 HD1 TYR 6 2HD TYR 6 4.089 -10.504 -5.675
51 HD2 TYR 6 1HD TYR 6 4.988 -7.892 -8.927
52 HE1 TYR 6 2HE TYR 6 4.652 -12.459 -7.070
53 HE2 TYR 6 1HE TYR 6 5.750 -9.820 -10.293
54 HH TYR 6 HH TYR 6 6.172 -12.995 -9.313
55 H THR 7 H THR 7 6.087 -5.312 -6.652
56 HA THR 7 HA THR 7 5.929 -3.499 -4.311
57 HB THR 7 HB THR 7 6.843 -1.835 -5.942
58 HG1 THR 7 1HG THR 7 7.642 -2.687 -7.947
59 HG21 THR 7 3HG2 THR 7 8.461 -4.387 -5.734
60 HG22 THR 7 1HG2 THR 7 9.079 -2.756 -6.090
61 HG23 THR 7 2HG2 THR 7 8.371 -3.112 -4.496
62 H CYS 8 H CYS 8 4.692 -1.412 -4.606
63 HA CYS 8 HA CYS 8 2.094 -2.066 -5.766
64 HB2 CYS 8 2HB CYS 8 2.787 -1.035 -3.318
65 HB3 CYS 8 1HB CYS 8 2.289 0.407 -4.225
66 H SER 9 H SER 9 4.905 -0.676 -6.821
67 HA SER 9 HA SER 9 5.711 0.974 -8.203
68 HB2 SER 9 2HB SER 9 4.728 1.741 -9.938
69 HB3 SER 9 1HB SER 9 3.987 0.130 -9.675
70 HG SER 9 HG SER 9 2.065 1.026 -9.467
71 H PHE 10 H PHE 10 2.615 2.279 -6.965
72 HA PHE 10 HA PHE 10 3.418 4.884 -6.678
73 HB2 PHE 10 1HB PHE 10 1.257 3.241 -6.131
74 HB3 PHE 10 2HB PHE 10 1.525 4.030 -4.726
75 HD1 PHE 10 1HD PHE 10 1.163 6.464 -4.482
76 HD2 PHE 10 2HD PHE 10 0.167 4.174 -7.969
77 HE1 PHE 10 1HE PHE 10 -0.506 8.183 -5.135
78 HE2 PHE 10 2HE PHE 10 -1.513 5.875 -8.614
79 HZ PHE 10 HZ PHE 10 -1.846 7.887 -7.203
80 H CYS 11 H CYS 11 3.686 2.291 -4.055
81 HA CYS 11 HA CYS 11 5.228 4.336 -2.601
82 HB2 CYS 11 2HB CYS 11 4.785 3.040 -0.577
83 HB3 CYS 11 1HB CYS 11 3.288 3.599 -1.347
84 H LYS 12 H LYS 12 6.013 2.309 -4.919
85 HA LYS 12 HA LYS 12 6.992 0.157 -5.206
86 HB2 LYS 12 2HB LYS 12 9.350 0.832 -5.437
87 HB3 LYS 12 1HB LYS 12 8.504 2.337 -5.554
88 HG2 LYS 12 2HG LYS 12 8.866 2.629 -3.084
89 HG3 LYS 12 1HG LYS 12 9.971 1.219 -3.204
90 HD2 LYS 12 2HD LYS 12 11.188 2.507 -4.991
91 HD3 LYS 12 1HD LYS 12 10.220 3.931 -4.476
92 HE2 LYS 12 2HE LYS 12 11.040 3.236 -2.018
93 HE3 LYS 12 1HE LYS 12 12.300 2.361 -2.844
94 HZ1 LYS 12 3HZ LYS 12 11.782 5.189 -2.879
95 HZ2 LYS 12 1HZ LYS 12 13.382 4.176 -2.962
96 HZ3 LYS 12 2HZ LYS 12 12.212 4.862 -3.956
97 H ARG 13 H ARG 13 6.019 0.287 -2.270
98 HA ARG 13 HA ARG 13 7.916 -1.176 -0.813
99 HB2 ARG 13 2HB ARG 13 5.807 0.290 -0.034
100 HB3 ARG 13 1HB ARG 13 4.893 -1.163 -0.244
101 HG2 ARG 13 2HG ARG 13 5.439 -1.595 1.892
102 HG3 ARG 13 1HG ARG 13 7.018 -2.055 1.315
103 HD2 ARG 13 2HD ARG 13 7.644 -0.505 2.858
104 HD3 ARG 13 1HD ARG 13 7.446 0.599 1.498
105 HE ARG 13 HE ARG 13 4.949 0.384 2.689
106 HH11 ARG 13 2HH2 ARG 13 8.097 1.853 3.425
107 HH12 ARG 13 1HH2 ARG 13 7.399 2.907 4.684
108 HH21 ARG 13 2HH1 ARG 13 4.121 1.773 4.288
109 HH22 ARG 13 1HH1 ARG 13 5.236 2.866 5.151
110 H GLU 14 H GLU 14 8.288 -3.231 -0.507
111 HA GLU 14 HA GLU 14 7.124 -5.360 -2.128
112 HB2 GLU 14 2HB GLU 14 9.302 -5.130 -0.082
113 HB3 GLU 14 1HB GLU 14 8.646 -6.702 -0.501
114 HG2 GLU 14 2HG GLU 14 9.374 -4.887 -2.782
115 HG3 GLU 14 1HG GLU 14 10.681 -5.612 -1.855
116 H PHE 15 H PHE 15 5.315 -6.224 -1.821
117 HA PHE 15 HA PHE 15 4.240 -6.821 0.900
118 HB2 PHE 15 1HB PHE 15 2.909 -6.758 -1.734
119 HB3 PHE 15 2HB PHE 15 2.185 -7.103 -0.312
120 HD1 PHE 15 2HD PHE 15 3.750 -4.462 -2.263
121 HD2 PHE 15 1HD PHE 15 1.391 -5.439 1.195
122 HE1 PHE 15 2HE PHE 15 3.437 -2.053 -1.798
123 HE2 PHE 15 1HE PHE 15 1.112 -3.028 1.680
124 HZ PHE 15 HZ PHE 15 2.249 -1.338 0.233
125 H ARG 16 H ARG 16 3.167 -8.923 1.125
126 HA ARG 16 HA ARG 16 4.395 -11.075 -0.527
127 HB2 ARG 16 2HB ARG 16 3.665 -10.996 2.459
128 HB3 ARG 16 1HB ARG 16 4.243 -12.431 1.623
129 HG2 ARG 16 2HG ARG 16 6.398 -11.454 1.228
130 HG3 ARG 16 1HG ARG 16 5.835 -9.842 1.670
131 HD2 ARG 16 2HD ARG 16 5.226 -11.047 3.950
132 HD3 ARG 16 1HD ARG 16 6.499 -12.179 3.397
133 HE ARG 16 HE ARG 16 8.078 -10.532 3.696
134 HH11 ARG 16 2HH2 ARG 16 4.904 -8.931 3.915
135 HH12 ARG 16 1HH2 ARG 16 5.638 -7.355 4.314
136 HH21 ARG 16 2HH1 ARG 16 8.938 -8.516 4.274
137 HH22 ARG 16 1HH1 ARG 16 7.840 -7.129 4.511
138 H SER 17 H SER 17 1.951 -9.839 -1.305
139 HA SER 17 HA SER 17 0.173 -12.137 -1.628
140 HB2 SER 17 2HB SER 17 -1.754 -11.108 -0.474
141 HB3 SER 17 1HB SER 17 -0.524 -11.781 0.595
142 HG SER 17 HG SER 17 -0.674 -9.873 1.514
143 H ALA 18 H ALA 18 -1.026 -11.997 -3.303
144 HA ALA 18 HA ALA 18 -0.816 -9.918 -5.167
145 HB1 ALA 18 1HB ALA 18 -2.502 -11.169 -6.423
146 HB2 ALA 18 2HB ALA 18 -1.200 -12.204 -5.788
147 HB3 ALA 18 3HB ALA 18 -2.793 -12.190 -4.995
148 H GLN 19 H GLN 19 -3.786 -10.813 -3.241
149 HA GLN 19 HA GLN 19 -5.315 -8.528 -4.166
150 HB2 GLN 19 2HB GLN 19 -5.773 -10.503 -1.893
151 HB3 GLN 19 1HB GLN 19 -6.895 -9.238 -2.348
152 HG2 GLN 19 2HG GLN 19 -7.765 -10.582 -3.885
153 HG3 GLN 19 1HG GLN 19 -6.211 -10.635 -4.739
154 HE21 GLN 19 2HE2 GLN 19 -4.921 -12.463 -4.602
155 HE22 GLN 19 1HE2 GLN 19 -5.381 -13.910 -3.666
156 H ALA 20 H ALA 20 -3.736 -9.061 -0.941
157 HA ALA 20 HA ALA 20 -4.295 -6.474 -0.039
158 HB1 ALA 20 1HB ALA 20 -2.591 -6.903 1.633
159 HB2 ALA 20 2HB ALA 20 -3.748 -8.240 1.440
160 HB3 ALA 20 3HB ALA 20 -2.113 -8.373 0.751
161 H LEU 21 H LEU 21 -1.932 -7.328 -2.518
162 HA LEU 21 HA LEU 21 -0.736 -4.662 -2.401
163 HB2 LEU 21 2HB LEU 21 0.312 -7.005 -3.138
164 HB3 LEU 21 1HB LEU 21 -0.431 -6.645 -4.664
165 HG LEU 21 HG LEU 21 1.306 -4.552 -3.347
166 HD11 LEU 21 1HD1 LEU 21 3.151 -5.666 -4.550
167 HD12 LEU 21 2HD1 LEU 21 2.453 -6.780 -3.351
168 HD13 LEU 21 3HD1 LEU 21 2.046 -6.959 -5.075
169 HD21 LEU 21 3HD2 LEU 21 0.001 -3.899 -5.318
170 HD22 LEU 21 1HD2 LEU 21 1.754 -3.935 -5.622
171 HD23 LEU 21 2HD2 LEU 21 0.720 -5.252 -6.224
172 H GLY 22 H GLY 22 -2.824 -6.460 -4.880
173 HA2 GLY 22 2HA GLY 22 -3.378 -4.312 -6.571
174 HA3 GLY 22 1HA GLY 22 -4.479 -5.632 -6.262
175 H GLY 23 H GLY 23 -5.275 -5.320 -3.649
176 HA2 GLY 23 2HA GLY 23 -7.092 -3.115 -3.574
177 HA3 GLY 23 1HA GLY 23 -6.656 -4.159 -2.247
178 H HIS 24 H HIS 24 -3.775 -3.548 -2.084
179 HA HIS 24 HA HIS 24 -4.005 -1.202 -0.529
180 HB2 HIS 24 2HB HIS 24 -2.536 -2.830 0.185
181 HB3 HIS 24 1HB HIS 24 -1.698 -2.892 -1.397
182 HD1 HIS 24 1HD HIS 24 -1.164 -1.789 1.822
183 HD2 HIS 24 2HD HIS 24 -0.593 -0.040 -1.913
184 HE1 HIS 24 1HE HIS 24 0.594 0.131 2.170
185 H MET 25 H MET 25 -2.616 -1.852 -3.829
186 HA MET 25 HA MET 25 -1.827 0.745 -4.530
187 HB2 MET 25 2HB MET 25 -1.883 -1.669 -5.782
188 HB3 MET 25 1HB MET 25 -3.152 -0.773 -6.651
189 HG2 MET 25 2HG MET 25 -1.130 1.108 -6.300
190 HG3 MET 25 1HG MET 25 -0.250 -0.412 -6.668
191 HE1 MET 25 3HE MET 25 -1.886 2.659 -7.998
192 HE2 MET 25 1HE MET 25 -2.752 2.173 -9.475
193 HE3 MET 25 2HE MET 25 -3.372 1.687 -7.880
194 H ASN 26 H ASN 26 -5.079 -0.775 -4.985
195 HA ASN 26 HA ASN 26 -6.324 1.544 -6.029
196 HB2 ASN 26 2HB ASN 26 -7.107 -0.971 -5.981
197 HB3 ASN 26 1HB ASN 26 -7.735 -0.598 -4.378
198 HD21 ASN 26 2HD2 ASN 26 -7.900 0.213 -7.824
199 HD22 ASN 26 1HD2 ASN 26 -9.528 0.939 -7.762
200 H VAL 27 H VAL 27 -5.952 0.579 -2.580
201 HA VAL 27 HA VAL 27 -7.388 2.710 -1.506
202 HB VAL 27 HB VAL 27 -6.499 0.571 -0.501
203 HG11 VAL 27 1HG1 VAL 27 -4.780 0.921 1.198
204 HG12 VAL 27 2HG1 VAL 27 -4.099 1.051 -0.441
205 HG13 VAL 27 3HG1 VAL 27 -4.410 2.521 0.513
206 HG21 VAL 27 3HG2 VAL 27 -8.193 1.963 0.383
207 HG22 VAL 27 1HG2 VAL 27 -7.052 1.507 1.671
208 HG23 VAL 27 2HG2 VAL 27 -6.992 3.140 0.966
209 H HIS 28 H HIS 28 -4.200 2.951 -3.081
210 HA HIS 28 HA HIS 28 -3.242 5.224 -1.947
211 HB2 HIS 28 2HB HIS 28 -3.159 4.310 -4.793
212 HB3 HIS 28 1HB HIS 28 -2.238 5.705 -4.147
213 HD1 HIS 28 1HD HIS 28 -1.603 4.302 -1.433
214 HD2 HIS 28 2HD HIS 28 -0.916 2.721 -5.223
215 HE1 HIS 28 1HE HIS 28 0.322 2.538 -1.155
216 H ARG 29 H ARG 29 -3.160 7.433 -3.430
217 HA ARG 29 HA ARG 29 -4.284 9.483 -3.554
218 HB2 ARG 29 2HB ARG 29 -5.847 7.652 -5.409
219 HB3 ARG 29 1HB ARG 29 -6.400 9.268 -5.127
220 HG2 ARG 29 2HG ARG 29 -3.782 9.766 -5.673
221 HG3 ARG 29 1HG ARG 29 -4.075 8.315 -6.637
222 HD2 ARG 29 2HD ARG 29 -6.165 10.448 -6.674
223 HD3 ARG 29 1HD ARG 29 -4.621 10.750 -7.538
224 HE ARG 29 HE ARG 29 -5.236 9.301 -9.140
225 HH11 ARG 29 2HH2 ARG 29 -7.562 8.658 -6.510
226 HH12 ARG 29 1HH2 ARG 29 -8.628 7.741 -7.607
227 HH21 ARG 29 2HH1 ARG 29 -6.605 8.118 -10.429
228 HH22 ARG 29 1HH1 ARG 29 -8.105 7.445 -9.739
229 H ARG 30 H ARG 30 -4.492 9.174 -1.203
230 HA ARG 30 HA ARG 30 -7.065 10.370 -0.520
231 HB2 ARG 30 2HB ARG 30 -6.982 7.612 -0.235
232 HB3 ARG 30 1HB ARG 30 -6.429 8.175 1.345
233 HG2 ARG 30 2HG ARG 30 -8.764 8.106 1.580
234 HG3 ARG 30 1HG ARG 30 -8.456 9.818 1.227
235 HD2 ARG 30 2HD ARG 30 -8.834 9.156 -1.283
236 HD3 ARG 30 1HD ARG 30 -9.545 7.678 -0.651
237 HE ARG 30 HE ARG 30 -10.662 9.923 0.662
238 HH11 ARG 30 2HH2 ARG 30 -10.912 7.952 -2.267
239 HH12 ARG 30 1HH2 ARG 30 -12.494 8.644 -2.714
240 HH21 ARG 30 2HH1 ARG 30 -12.702 10.765 0.066
241 HH22 ARG 30 1HH1 ARG 30 -13.477 10.185 -1.433
242 H ASP 31 H ASP 31 -6.331 12.142 0.478
243 HA ASP 31 HA ASP 31 -4.199 11.841 2.562
244 HB2 ASP 31 2HB ASP 31 -3.667 12.941 0.155
245 HB3 ASP 31 1HB ASP 31 -4.264 14.360 1.018
246 H ARG 32 H ARG 32 -5.764 11.728 4.158
247 HA ARG 32 HA ARG 32 -6.613 14.209 5.346
248 HB2 ARG 32 2HB ARG 32 -8.570 12.886 3.567
249 HB3 ARG 32 1HB ARG 32 -9.135 12.898 5.203
250 HG2 ARG 32 2HG ARG 32 -8.196 15.369 3.714
251 HG3 ARG 32 1HG ARG 32 -9.858 14.868 3.935
252 HD2 ARG 32 2HD ARG 32 -9.203 14.879 6.510
253 HD3 ARG 32 1HD ARG 32 -7.928 15.967 5.946
254 HE ARG 32 HE ARG 32 -9.484 17.572 5.569
255 HH11 ARG 32 2HH2 ARG 32 -11.270 14.502 5.766
256 HH12 ARG 32 1HH2 ARG 32 -12.853 15.325 5.748
257 HH21 ARG 32 2HH1 ARG 32 -11.535 18.562 5.560
258 HH22 ARG 32 1HH1 ARG 32 -12.997 17.542 5.635
259 H ALA 33 H ALA 33 -5.373 13.465 7.011
260 HA ALA 33 HA ALA 33 -6.729 11.971 9.049
261 HB1 ALA 33 1HB ALA 33 -5.045 10.202 9.323
262 HB2 ALA 33 2HB ALA 33 -5.880 10.039 7.760
263 HB3 ALA 33 3HB ALA 33 -4.237 10.720 7.825
264 H ARG 34 H ARG 34 -5.923 12.502 11.018
265 HA ARG 34 HA ARG 34 -3.234 13.412 11.552
266 HB2 ARG 34 2HB ARG 34 -4.242 15.542 10.533
267 HB3 ARG 34 1HB ARG 34 -5.498 15.502 11.727
268 HG2 ARG 34 2HG ARG 34 -3.991 16.985 12.685
269 HG3 ARG 34 1HG ARG 34 -3.477 15.520 13.463
270 HD2 ARG 34 2HD ARG 34 -1.486 15.963 12.764
271 HD3 ARG 34 1HD ARG 34 -2.040 15.538 11.105
272 HE ARG 34 HE ARG 34 -2.908 18.143 11.630
273 HH11 ARG 34 2HH2 ARG 34 0.235 16.603 11.002
274 HH12 ARG 34 1HH2 ARG 34 0.976 18.149 10.508
275 HH21 ARG 34 2HH1 ARG 34 -1.927 20.054 10.986
276 HH22 ARG 34 1HH1 ARG 34 -0.211 20.042 10.497
277 H LEU 35 H LEU 35 -3.406 11.642 12.949
278 HA LEU 35 HA LEU 35 -3.871 10.438 14.889
279 HB2 LEU 35 2HB LEU 35 -4.333 13.226 15.987
280 HB3 LEU 35 1HB LEU 35 -4.077 11.790 16.924
281 HG LEU 35 HG LEU 35 -2.048 12.733 14.885
282 HD11 LEU 35 1HD1 LEU 35 -0.915 13.793 16.765
283 HD12 LEU 35 2HD1 LEU 35 -2.508 14.534 16.482
284 HD13 LEU 35 3HD1 LEU 35 -2.283 13.397 17.832
285 HD21 LEU 35 3HD2 LEU 35 -1.846 10.391 15.636
286 HD22 LEU 35 1HD2 LEU 35 -0.527 11.411 16.260
287 HD23 LEU 35 2HD2 LEU 35 -1.870 10.940 17.329
288 H ARG 36 H ARG 36 -5.597 10.271 16.826
289 HA ARG 36 HA ARG 36 -8.332 10.377 15.627
290 HB2 ARG 36 2HB ARG 36 -6.931 8.300 17.338
291 HB3 ARG 36 1HB ARG 36 -8.647 8.536 17.550
292 HG2 ARG 36 2HG ARG 36 -7.855 8.299 14.704
293 HG3 ARG 36 1HG ARG 36 -7.509 6.884 15.675
294 HD2 ARG 36 2HD ARG 36 -9.743 6.584 14.838
295 HD3 ARG 36 1HD ARG 36 -9.962 7.017 16.508
296 HE ARG 36 HE ARG 36 -10.001 9.303 14.803
297 HH11 ARG 36 2HH2 ARG 36 -11.992 6.694 16.169
298 HH12 ARG 36 1HH2 ARG 36 -13.516 7.512 15.731
299 HH21 ARG 36 2HH1 ARG 36 -11.987 10.334 14.350
300 HH22 ARG 36 1HH1 ARG 36 -13.513 9.496 14.742
301 H LEU 37 H LEU 37 -8.804 12.385 16.173
302 HA LEU 37 HA LEU 37 -9.731 14.042 17.381
303 HB2 LEU 37 2HB LEU 37 -10.049 11.905 19.400
304 HB3 LEU 37 1HB LEU 37 -10.427 13.621 19.767
305 HG LEU 37 HG LEU 37 -11.909 13.528 17.661
306 HD11 LEU 37 1HD1 LEU 37 -12.839 11.374 17.066
307 HD12 LEU 37 2HD1 LEU 37 -11.104 11.476 16.682
308 HD13 LEU 37 3HD1 LEU 37 -11.647 10.560 18.108
309 HD21 LEU 37 3HD2 LEU 37 -12.751 13.634 19.991
310 HD22 LEU 37 1HD2 LEU 37 -13.772 12.573 18.991
311 HD23 LEU 37 2HD2 LEU 37 -12.598 11.866 20.127
312 HN1 NH2 38 3HN NH2 38 -8.661 13.342 17.013
313 HN2 NH2 38 2HN NH2 38 -9.844 14.323 17.811
Start of MODEL 8
1 H1 ACE 0 2H1 ACE 0 14.144 -6.102 -6.332
2 H2 ACE 0 3H1 ACE 0 14.992 -6.518 -7.841
3 H3 ACE 0 1H1 ACE 0 14.157 -4.953 -7.691
4 H TRP 1 H TRP 1 11.791 -5.499 -6.655
5 HA TRP 1 HA TRP 1 9.660 -6.255 -7.222
6 HB2 TRP 1 2HB TRP 1 10.100 -5.325 -9.396
7 HB3 TRP 1 1HB TRP 1 11.054 -6.770 -9.859
8 HD1 TRP 1 HD TRP 1 9.769 -8.351 -11.266
9 HE1 TRP 1 1HE TRP 1 7.230 -9.100 -11.620
10 HE3 TRP 1 3HE TRP 1 7.705 -5.615 -7.620
11 HZ2 TRP 1 2HZ TRP 1 4.766 -8.449 -10.371
12 HZ3 TRP 1 3HZ TRP 1 5.372 -5.214 -7.562
13 HH2 TRP 1 HH TRP 1 3.762 -6.739 -8.845
14 HA PRO 2 HA PRO 2 10.966 -10.563 -6.169
15 HB2 PRO 2 2HB PRO 2 9.913 -10.676 -3.693
16 HB3 PRO 2 1HB PRO 2 11.460 -9.875 -3.962
17 HG2 PRO 2 2HG PRO 2 8.690 -8.604 -3.711
18 HG3 PRO 2 1HG PRO 2 10.185 -8.114 -2.919
19 HD2 PRO 2 1HD PRO 2 9.310 -6.936 -5.317
20 HD3 PRO 2 2HD PRO 2 11.081 -7.130 -4.949
21 HA PRO 3 HA PRO 3 6.991 -12.168 -7.284
22 HB2 PRO 3 2HB PRO 3 7.350 -14.837 -6.779
23 HB3 PRO 3 1HB PRO 3 8.087 -14.024 -8.159
24 HG2 PRO 3 2HG PRO 3 9.338 -14.653 -5.441
25 HG3 PRO 3 1HG PRO 3 10.028 -14.910 -7.042
26 HD2 PRO 3 1HD PRO 3 10.605 -12.603 -5.543
27 HD3 PRO 3 2HD PRO 3 10.460 -12.516 -7.362
28 H ARG 4 H ARG 4 8.308 -13.165 -4.088
29 HA ARG 4 HA ARG 4 5.595 -13.512 -2.967
30 HB2 ARG 4 2HB ARG 4 8.371 -14.148 -1.810
31 HB3 ARG 4 1HB ARG 4 6.851 -14.509 -1.036
32 HG2 ARG 4 2HG ARG 4 6.290 -16.168 -2.680
33 HG3 ARG 4 1HG ARG 4 7.546 -15.631 -3.774
34 HD2 ARG 4 2HD ARG 4 8.628 -17.465 -2.798
35 HD3 ARG 4 1HD ARG 4 9.148 -16.263 -1.672
36 HE ARG 4 HE ARG 4 7.915 -17.201 -0.069
37 HH11 ARG 4 2HH2 ARG 4 6.668 -18.498 -3.135
38 HH12 ARG 4 1HH2 ARG 4 5.833 -19.847 -2.320
39 HH21 ARG 4 2HH1 ARG 4 6.828 -18.950 0.908
40 HH22 ARG 4 1HH1 ARG 4 5.920 -20.093 -0.117
41 H SER 5 H SER 5 4.751 -12.206 -1.589
42 HA SER 5 HA SER 5 4.148 -10.246 -0.531
43 HB2 SER 5 2HB SER 5 5.266 -9.394 1.068
44 HB3 SER 5 1HB SER 5 6.051 -11.002 0.940
45 HG SER 5 HG SER 5 7.796 -9.973 -0.213
46 H TYR 6 H TYR 6 3.408 -8.567 -1.472
47 HA TYR 6 HA TYR 6 5.235 -6.819 -3.082
48 HB2 TYR 6 1HB TYR 6 2.386 -7.433 -3.534
49 HB3 TYR 6 2HB TYR 6 3.250 -6.317 -4.355
50 HD1 TYR 6 1HD TYR 6 5.466 -7.184 -5.501
51 HD2 TYR 6 2HD TYR 6 2.012 -9.536 -4.513
52 HE1 TYR 6 1HE TYR 6 5.972 -8.697 -7.373
53 HE2 TYR 6 2HE TYR 6 2.510 -11.059 -6.388
54 HH TYR 6 HH TYR 6 4.933 -11.414 -8.283
55 H THR 7 H THR 7 5.158 -4.749 -2.979
56 HA THR 7 HA THR 7 4.082 -3.466 -0.581
57 HB THR 7 HB THR 7 5.923 -2.649 -2.829
58 HG1 THR 7 1HG THR 7 6.295 -3.493 -0.075
59 HG21 THR 7 3HG2 THR 7 5.404 -1.160 -0.239
60 HG22 THR 7 1HG2 THR 7 6.672 -0.790 -1.432
61 HG23 THR 7 2HG2 THR 7 4.956 -0.613 -1.872
62 H CYS 8 H CYS 8 2.816 -1.546 -0.614
63 HA CYS 8 HA CYS 8 0.894 -1.468 -2.818
64 HB2 CYS 8 2HB CYS 8 0.518 -1.600 -0.098
65 HB3 CYS 8 1HB CYS 8 0.266 0.120 -0.454
66 H SER 9 H SER 9 3.674 0.103 -1.656
67 HA SER 9 HA SER 9 4.838 2.026 -2.029
68 HB2 SER 9 2HB SER 9 4.602 3.476 -3.600
69 HB3 SER 9 1HB SER 9 3.987 1.943 -4.294
70 HG SER 9 HG SER 9 2.118 2.869 -4.669
71 H PHE 10 H PHE 10 1.397 2.938 -1.869
72 HA PHE 10 HA PHE 10 1.633 5.145 -0.290
73 HB2 PHE 10 1HB PHE 10 -0.290 3.494 -1.411
74 HB3 PHE 10 2HB PHE 10 -0.754 3.637 0.148
75 HD1 PHE 10 1HD PHE 10 -1.495 5.787 1.121
76 HD2 PHE 10 2HD PHE 10 -0.643 5.128 -3.034
77 HE1 PHE 10 1HE PHE 10 -3.036 7.636 0.511
78 HE2 PHE 10 2HE PHE 10 -2.134 7.015 -3.645
79 HZ PHE 10 HZ PHE 10 -3.436 8.169 -1.866
80 H CYS 11 H CYS 11 1.231 1.690 0.960
81 HA CYS 11 HA CYS 11 1.622 2.903 3.615
82 HB2 CYS 11 2HB CYS 11 0.661 0.887 4.558
83 HB3 CYS 11 1HB CYS 11 -0.468 1.645 3.418
84 H LYS 12 H LYS 12 3.712 2.164 1.353
85 HA LYS 12 HA LYS 12 5.101 0.296 0.718
86 HB2 LYS 12 2HB LYS 12 7.128 0.954 1.767
87 HB3 LYS 12 1HB LYS 12 6.101 2.427 1.764
88 HG2 LYS 12 2HG LYS 12 5.526 1.812 4.207
89 HG3 LYS 12 1HG LYS 12 6.862 0.675 4.129
90 HD2 LYS 12 2HD LYS 12 8.334 2.655 3.376
91 HD3 LYS 12 1HD LYS 12 6.994 3.696 3.819
92 HE2 LYS 12 2HE LYS 12 8.134 3.688 5.817
93 HE3 LYS 12 1HE LYS 12 7.126 2.275 6.105
94 HZ1 LYS 12 3HZ LYS 12 9.886 2.348 5.231
95 HZ2 LYS 12 1HZ LYS 12 8.841 0.937 5.992
96 HZ3 LYS 12 2HZ LYS 12 9.567 1.741 4.706
97 H ARG 13 H ARG 13 3.062 -0.865 2.601
98 HA ARG 13 HA ARG 13 4.622 -2.864 3.979
99 HB2 ARG 13 2HB ARG 13 2.648 -1.749 4.984
100 HB3 ARG 13 1HB ARG 13 1.623 -2.395 3.662
101 HG2 ARG 13 2HG ARG 13 2.098 -4.730 4.513
102 HG3 ARG 13 1HG ARG 13 3.010 -4.061 5.832
103 HD2 ARG 13 2HD ARG 13 0.212 -3.121 5.406
104 HD3 ARG 13 1HD ARG 13 0.540 -4.733 6.115
105 HE ARG 13 HE ARG 13 0.716 -2.201 7.395
106 HH11 ARG 13 2HH2 ARG 13 2.510 -5.272 7.379
107 HH12 ARG 13 1HH2 ARG 13 2.927 -5.124 9.107
108 HH21 ARG 13 2HH1 ARG 13 1.292 -2.076 9.585
109 HH22 ARG 13 1HH1 ARG 13 2.266 -3.386 10.306
110 H GLU 14 H GLU 14 4.704 -4.892 3.708
111 HA GLU 14 HA GLU 14 4.390 -6.017 0.982
112 HB2 GLU 14 2HB GLU 14 5.675 -7.840 1.786
113 HB3 GLU 14 1HB GLU 14 6.499 -6.241 1.850
114 HG2 GLU 14 2HG GLU 14 5.302 -7.422 4.369
115 HG3 GLU 14 1HG GLU 14 6.866 -7.964 3.811
116 H PHE 15 H PHE 15 2.590 -6.874 0.442
117 HA PHE 15 HA PHE 15 1.088 -8.604 2.350
118 HB2 PHE 15 1HB PHE 15 0.276 -7.443 -0.244
119 HB3 PHE 15 2HB PHE 15 -0.683 -8.286 0.774
120 HD1 PHE 15 2HD PHE 15 -1.610 -7.353 2.808
121 HD2 PHE 15 1HD PHE 15 0.879 -5.072 0.143
122 HE1 PHE 15 2HE PHE 15 -2.212 -5.274 4.017
123 HE2 PHE 15 1HE PHE 15 0.170 -2.991 1.270
124 HZ PHE 15 HZ PHE 15 -1.191 -3.113 3.333
125 H ARG 16 H ARG 16 1.170 -10.741 2.127
126 HA ARG 16 HA ARG 16 2.185 -12.130 -0.186
127 HB2 ARG 16 2HB ARG 16 1.075 -12.720 2.499
128 HB3 ARG 16 1HB ARG 16 0.747 -13.966 1.253
129 HG2 ARG 16 2HG ARG 16 2.813 -14.642 2.362
130 HG3 ARG 16 1HG ARG 16 3.314 -13.996 0.841
131 HD2 ARG 16 2HD ARG 16 4.141 -12.082 1.741
132 HD3 ARG 16 1HD ARG 16 3.190 -12.273 3.261
133 HE ARG 16 HE ARG 16 4.832 -14.563 2.781
134 HH11 ARG 16 2HH2 ARG 16 5.303 -11.221 3.912
135 HH12 ARG 16 1HH2 ARG 16 6.701 -11.684 4.920
136 HH21 ARG 16 2HH1 ARG 16 6.563 -15.090 4.107
137 HH22 ARG 16 1HH1 ARG 16 7.391 -13.805 5.026
138 H SER 17 H SER 17 0.170 -10.378 -1.096
139 HA SER 17 HA SER 17 -2.110 -12.106 -1.896
140 HB2 SER 17 2HB SER 17 -2.281 -9.508 -0.362
141 HB3 SER 17 1HB SER 17 -3.590 -10.101 -1.406
142 HG SER 17 HG SER 17 -2.401 -11.816 0.578
143 H ALA 18 H ALA 18 -3.206 -11.411 -3.693
144 HA ALA 18 HA ALA 18 -1.887 -9.308 -5.374
145 HB1 ALA 18 1HB ALA 18 -2.707 -10.507 -7.281
146 HB2 ALA 18 2HB ALA 18 -1.622 -11.499 -6.279
147 HB3 ALA 18 3HB ALA 18 -3.380 -11.766 -6.219
148 H GLN 19 H GLN 19 -5.157 -10.866 -5.380
149 HA GLN 19 HA GLN 19 -6.598 -8.642 -6.168
150 HB2 GLN 19 2HB GLN 19 -7.343 -11.132 -6.029
151 HB3 GLN 19 1HB GLN 19 -7.626 -10.878 -4.322
152 HG2 GLN 19 2HG GLN 19 -9.137 -8.894 -5.066
153 HG3 GLN 19 1HG GLN 19 -9.068 -9.646 -6.665
154 HE21 GLN 19 2HE2 GLN 19 -9.940 -11.776 -6.972
155 HE22 GLN 19 1HE2 GLN 19 -11.095 -12.452 -5.793
156 H ALA 20 H ALA 20 -6.391 -9.863 -2.753
157 HA ALA 20 HA ALA 20 -7.504 -7.757 -1.347
158 HB1 ALA 20 1HB ALA 20 -6.209 -8.482 0.503
159 HB2 ALA 20 2HB ALA 20 -6.888 -9.865 -0.388
160 HB3 ALA 20 3HB ALA 20 -5.166 -9.452 -0.564
161 H LEU 21 H LEU 21 -4.286 -7.692 -2.905
162 HA LEU 21 HA LEU 21 -3.388 -5.296 -1.446
163 HB2 LEU 21 2HB LEU 21 -1.989 -7.285 -2.222
164 HB3 LEU 21 1HB LEU 21 -2.162 -6.571 -3.859
165 HG LEU 21 HG LEU 21 -1.126 -4.969 -1.533
166 HD11 LEU 21 1HD1 LEU 21 1.157 -5.681 -2.372
167 HD12 LEU 21 2HD1 LEU 21 0.214 -7.084 -1.814
168 HD13 LEU 21 3HD1 LEU 21 0.363 -6.747 -3.555
169 HD21 LEU 21 3HD2 LEU 21 -1.687 -3.692 -3.555
170 HD22 LEU 21 1HD2 LEU 21 0.068 -3.700 -3.258
171 HD23 LEU 21 2HD2 LEU 21 -0.626 -4.745 -4.520
172 H GLY 22 H GLY 22 -4.193 -6.129 -4.943
173 HA2 GLY 22 2HA GLY 22 -4.112 -3.568 -6.025
174 HA3 GLY 22 1HA GLY 22 -5.186 -4.847 -6.567
175 H GLY 23 H GLY 23 -6.987 -5.219 -4.523
176 HA2 GLY 23 2HA GLY 23 -8.757 -2.991 -4.463
177 HA3 GLY 23 1HA GLY 23 -8.794 -4.360 -3.387
178 H HIS 24 H HIS 24 -6.147 -3.966 -2.142
179 HA HIS 24 HA HIS 24 -7.076 -2.272 -0.093
180 HB2 HIS 24 2HB HIS 24 -5.862 -4.077 0.579
181 HB3 HIS 24 1HB HIS 24 -4.545 -3.763 -0.594
182 HD1 HIS 24 1HD HIS 24 -4.993 -3.760 2.773
183 HD2 HIS 24 2HD HIS 24 -3.515 -0.877 0.158
184 HE1 HIS 24 1HE HIS 24 -3.521 -2.138 4.221
185 H MET 25 H MET 25 -4.559 -1.920 -2.624
186 HA MET 25 HA MET 25 -3.606 0.660 -2.222
187 HB2 MET 25 2HB MET 25 -3.293 -1.365 -4.017
188 HB3 MET 25 1HB MET 25 -4.244 -0.197 -4.993
189 HG2 MET 25 2HG MET 25 -1.622 0.375 -3.602
190 HG3 MET 25 1HG MET 25 -1.837 0.018 -5.351
191 HE1 MET 25 3HE MET 25 -0.705 1.975 -6.355
192 HE2 MET 25 1HE MET 25 -0.800 3.641 -5.737
193 HE3 MET 25 2HE MET 25 -0.111 2.353 -4.721
194 H ASN 26 H ASN 26 -6.555 -0.363 -4.042
195 HA ASN 26 HA ASN 26 -7.348 2.291 -4.777
196 HB2 ASN 26 2HB ASN 26 -8.071 0.001 -5.806
197 HB3 ASN 26 1HB ASN 26 -9.190 -0.117 -4.451
198 HD21 ASN 26 2HD2 ASN 26 -8.156 2.062 -7.098
199 HD22 ASN 26 1HD2 ASN 26 -9.774 2.760 -7.379
200 H VAL 27 H VAL 27 -8.237 0.320 -1.900
201 HA VAL 27 HA VAL 27 -10.062 2.093 -0.802
202 HB VAL 27 HB VAL 27 -9.424 -0.268 -0.189
203 HG11 VAL 27 1HG1 VAL 27 -8.405 -0.475 2.020
204 HG12 VAL 27 2HG1 VAL 27 -7.221 0.089 0.817
205 HG13 VAL 27 3HG1 VAL 27 -7.929 1.239 1.976
206 HG21 VAL 27 3HG2 VAL 27 -11.403 0.889 0.433
207 HG22 VAL 27 1HG2 VAL 27 -10.730 0.042 1.845
208 HG23 VAL 27 2HG2 VAL 27 -10.532 1.803 1.687
209 H HIS 28 H HIS 28 -6.546 2.606 -1.007
210 HA HIS 28 HA HIS 28 -6.116 4.353 1.051
211 HB2 HIS 28 2HB HIS 28 -4.969 4.295 -1.712
212 HB3 HIS 28 1HB HIS 28 -4.377 5.336 -0.380
213 HD1 HIS 28 1HD HIS 28 -4.800 3.105 1.785
214 HD2 HIS 28 2HD HIS 28 -2.664 2.723 -1.768
215 HE1 HIS 28 1HE HIS 28 -3.079 1.160 2.168
216 H ARG 29 H ARG 29 -7.263 5.207 -2.287
217 HA ARG 29 HA ARG 29 -7.685 7.315 -3.243
218 HB2 ARG 29 2HB ARG 29 -9.557 7.039 -0.877
219 HB3 ARG 29 1HB ARG 29 -9.638 8.405 -1.992
220 HG2 ARG 29 2HG ARG 29 -9.841 6.733 -3.896
221 HG3 ARG 29 1HG ARG 29 -9.968 5.458 -2.686
222 HD2 ARG 29 2HD ARG 29 -11.935 6.409 -1.760
223 HD3 ARG 29 1HD ARG 29 -11.753 7.883 -2.783
224 HE ARG 29 HE ARG 29 -12.182 6.536 -4.733
225 HH11 ARG 29 2HH2 ARG 29 -12.879 4.778 -1.730
226 HH12 ARG 29 1HH2 ARG 29 -13.842 3.539 -2.580
227 HH21 ARG 29 2HH1 ARG 29 -13.344 4.905 -5.775
228 HH22 ARG 29 1HH1 ARG 29 -14.097 3.609 -4.806
229 H ARG 30 H ARG 30 -6.600 8.948 -3.656
230 HA ARG 30 HA ARG 30 -5.470 10.672 -1.538
231 HB2 ARG 30 2HB ARG 30 -5.368 10.651 -4.536
232 HB3 ARG 30 1HB ARG 30 -5.000 12.127 -3.626
233 HG2 ARG 30 2HG ARG 30 -3.440 10.426 -2.200
234 HG3 ARG 30 1HG ARG 30 -3.474 9.506 -3.674
235 HD2 ARG 30 2HD ARG 30 -2.672 12.434 -3.597
236 HD3 ARG 30 1HD ARG 30 -1.550 11.098 -3.462
237 HE ARG 30 HE ARG 30 -3.151 10.723 -5.745
238 HH11 ARG 30 2HH2 ARG 30 -0.674 12.992 -4.594
239 HH12 ARG 30 1HH2 ARG 30 -0.025 13.252 -6.235
240 HH21 ARG 30 2HH1 ARG 30 -2.281 11.087 -7.815
241 HH22 ARG 30 1HH1 ARG 30 -0.906 12.209 -7.999
242 H ASP 31 H ASP 31 -7.540 10.721 -0.486
243 HA ASP 31 HA ASP 31 -8.621 13.435 -1.067
244 HB2 ASP 31 2HB ASP 31 -10.799 12.662 -0.249
245 HB3 ASP 31 1HB ASP 31 -10.258 11.982 -1.821
246 H ARG 32 H ARG 32 -6.496 12.381 0.879
247 HA ARG 32 HA ARG 32 -7.553 13.703 3.281
248 HB2 ARG 32 2HB ARG 32 -7.538 11.175 3.498
249 HB3 ARG 32 1HB ARG 32 -5.763 11.236 3.239
250 HG2 ARG 32 2HG ARG 32 -6.005 11.066 5.619
251 HG3 ARG 32 1HG ARG 32 -5.731 12.765 5.371
252 HD2 ARG 32 2HD ARG 32 -8.583 12.138 5.245
253 HD3 ARG 32 1HD ARG 32 -7.835 11.618 6.753
254 HE ARG 32 HE ARG 32 -7.007 14.249 5.989
255 HH11 ARG 32 2HH2 ARG 32 -9.338 12.396 7.899
256 HH12 ARG 32 1HH2 ARG 32 -9.929 13.846 8.755
257 HH21 ARG 32 2HH1 ARG 32 -7.777 16.071 7.132
258 HH22 ARG 32 1HH1 ARG 32 -9.074 15.853 8.337
259 H ALA 33 H ALA 33 -6.051 15.274 3.943
260 HA ALA 33 HA ALA 33 -3.660 15.918 2.615
261 HB1 ALA 33 1HB ALA 33 -3.195 17.283 4.613
262 HB2 ALA 33 2HB ALA 33 -4.888 17.450 4.094
263 HB3 ALA 33 3HB ALA 33 -4.484 16.433 5.497
264 H ARG 34 H ARG 34 -1.498 15.392 2.959
265 HA ARG 34 HA ARG 34 -0.694 12.853 3.567
266 HB2 ARG 34 2HB ARG 34 1.014 15.375 3.928
267 HB3 ARG 34 1HB ARG 34 1.628 13.758 3.779
268 HG2 ARG 34 2HG ARG 34 1.826 14.347 1.593
269 HG3 ARG 34 1HG ARG 34 0.147 13.883 1.482
270 HD2 ARG 34 2HD ARG 34 -0.024 15.938 0.577
271 HD3 ARG 34 1HD ARG 34 -0.196 16.433 2.273
272 HE ARG 34 HE ARG 34 2.550 16.301 1.585
273 HH11 ARG 34 2HH2 ARG 34 -0.237 18.485 1.283
274 HH12 ARG 34 1HH2 ARG 34 0.796 19.866 0.827
275 HH21 ARG 34 2HH1 ARG 34 3.806 18.100 1.038
276 HH22 ARG 34 1HH1 ARG 34 3.003 19.656 0.697
277 H LEU 35 H LEU 35 -0.573 15.440 6.000
278 HA LEU 35 HA LEU 35 -0.272 15.377 8.324
279 HB2 LEU 35 2HB LEU 35 -2.207 13.135 7.932
280 HB3 LEU 35 1HB LEU 35 -1.921 14.109 9.411
281 HG LEU 35 HG LEU 35 -2.947 15.304 6.793
282 HD11 LEU 35 1HD1 LEU 35 -5.142 15.263 7.825
283 HD12 LEU 35 2HD1 LEU 35 -4.513 13.613 7.604
284 HD13 LEU 35 3HD1 LEU 35 -4.493 14.365 9.217
285 HD21 LEU 35 3HD2 LEU 35 -1.855 16.891 8.327
286 HD22 LEU 35 1HD2 LEU 35 -3.611 17.156 8.209
287 HD23 LEU 35 2HD2 LEU 35 -2.927 16.345 9.638
288 H ARG 36 H ARG 36 2.063 14.685 7.907
289 HA ARG 36 HA ARG 36 2.810 11.901 8.215
290 HB2 ARG 36 2HB ARG 36 4.113 13.945 7.164
291 HB3 ARG 36 1HB ARG 36 4.659 14.159 8.850
292 HG2 ARG 36 2HG ARG 36 5.049 11.444 8.619
293 HG3 ARG 36 1HG ARG 36 5.246 11.854 6.950
294 HD2 ARG 36 2HD ARG 36 6.828 13.704 8.526
295 HD3 ARG 36 1HD ARG 36 7.168 12.069 9.006
296 HE ARG 36 HE ARG 36 8.063 13.323 6.761
297 HH11 ARG 36 2HH2 ARG 36 6.585 10.127 7.359
298 HH12 ARG 36 1HH2 ARG 36 7.492 9.393 6.009
299 HH21 ARG 36 2HH1 ARG 36 9.133 12.330 5.072
300 HH22 ARG 36 1HH1 ARG 36 8.877 10.592 4.766
301 H LEU 37 H LEU 37 3.571 10.801 9.840
302 HA LEU 37 HA LEU 37 3.072 11.832 12.572
303 HB2 LEU 37 2HB LEU 37 2.942 9.421 13.181
304 HB3 LEU 37 1HB LEU 37 1.632 10.058 12.134
305 HG LEU 37 HG LEU 37 3.908 8.755 10.721
306 HD11 LEU 37 1HD1 LEU 37 3.054 6.503 11.200
307 HD12 LEU 37 2HD1 LEU 37 3.652 7.281 12.685
308 HD13 LEU 37 3HD1 LEU 37 1.902 7.179 12.377
309 HD21 LEU 37 3HD2 LEU 37 1.902 9.613 9.556
310 HD22 LEU 37 1HD2 LEU 37 2.053 7.848 9.393
311 HD23 LEU 37 2HD2 LEU 37 0.878 8.539 10.537
312 HN1 NH2 38 3HN NH2 38 4.586 8.920 12.757
313 HN2 NH2 38 2HN NH2 38 4.402 9.440 11.115
Start of MODEL 9
1 H1 ACE 0 2H1 ACE 0 14.080 -8.347 -6.133
2 H2 ACE 0 3H1 ACE 0 14.099 -6.567 -6.137
3 H3 ACE 0 1H1 ACE 0 14.337 -7.457 -4.614
4 H TRP 1 H TRP 1 12.497 -9.216 -4.364
5 HA TRP 1 HA TRP 1 10.193 -8.017 -3.485
6 HB2 TRP 1 2HB TRP 1 10.209 -8.123 -6.438
7 HB3 TRP 1 1HB TRP 1 8.740 -8.766 -5.638
8 HD1 TRP 1 HD TRP 1 10.191 -6.051 -3.699
9 HE1 TRP 1 1HE TRP 1 8.749 -3.819 -3.953
10 HE3 TRP 1 3HE TRP 1 7.179 -7.565 -7.398
11 HZ2 TRP 1 2HZ TRP 1 6.611 -3.005 -5.629
12 HZ3 TRP 1 3HZ TRP 1 5.924 -6.011 -8.666
13 HH2 TRP 1 HH TRP 1 5.454 -3.664 -7.748
14 HA PRO 2 HA PRO 2 9.723 -12.297 -2.354
15 HB2 PRO 2 2HB PRO 2 7.424 -12.103 -1.129
16 HB3 PRO 2 1HB PRO 2 9.028 -11.555 -0.441
17 HG2 PRO 2 2HG PRO 2 6.781 -9.982 -1.690
18 HG3 PRO 2 1HG PRO 2 7.738 -9.615 -0.172
19 HD2 PRO 2 1HD PRO 2 8.423 -8.447 -2.712
20 HD3 PRO 2 2HD PRO 2 9.696 -8.905 -1.486
21 HA PRO 3 HA PRO 3 7.402 -14.155 -5.510
22 HB2 PRO 3 2HB PRO 3 6.834 -16.621 -4.469
23 HB3 PRO 3 1HB PRO 3 8.425 -16.147 -5.063
24 HG2 PRO 3 2HG PRO 3 7.399 -16.148 -2.187
25 HG3 PRO 3 1HG PRO 3 8.945 -16.739 -2.794
26 HD2 PRO 3 1HD PRO 3 8.691 -14.171 -1.702
27 HD3 PRO 3 2HD PRO 3 9.815 -14.469 -3.109
28 H ARG 4 H ARG 4 5.678 -14.998 -2.377
29 HA ARG 4 HA ARG 4 3.104 -14.398 -3.774
30 HB2 ARG 4 2HB ARG 4 2.054 -15.743 -2.129
31 HB3 ARG 4 1HB ARG 4 3.419 -16.676 -2.847
32 HG2 ARG 4 2HG ARG 4 3.704 -15.293 -0.209
33 HG3 ARG 4 1HG ARG 4 2.906 -16.892 -0.345
34 HD2 ARG 4 2HD ARG 4 5.154 -17.379 -1.732
35 HD3 ARG 4 1HD ARG 4 5.756 -16.132 -0.592
36 HE ARG 4 HE ARG 4 4.516 -17.610 1.150
37 HH11 ARG 4 2HH2 ARG 4 6.363 -18.982 -1.570
38 HH12 ARG 4 1HH2 ARG 4 6.552 -20.550 -0.741
39 HH21 ARG 4 2HH1 ARG 4 4.835 -19.601 2.154
40 HH22 ARG 4 1HH1 ARG 4 5.720 -20.887 1.291
41 H SER 5 H SER 5 4.539 -12.173 -3.228
42 HA SER 5 HA SER 5 2.702 -10.701 -1.550
43 HB2 SER 5 2HB SER 5 5.560 -10.801 -0.507
44 HB3 SER 5 1HB SER 5 4.228 -9.873 0.134
45 HG SER 5 HG SER 5 4.306 -11.614 1.427
46 H TYR 6 H TYR 6 2.687 -8.639 -2.003
47 HA TYR 6 HA TYR 6 4.873 -7.368 -3.608
48 HB2 TYR 6 1HB TYR 6 2.069 -7.683 -4.502
49 HB3 TYR 6 2HB TYR 6 3.060 -6.540 -5.118
50 HD1 TYR 6 1HD TYR 6 2.400 -10.142 -5.028
51 HD2 TYR 6 2HD TYR 6 4.730 -6.954 -6.664
52 HE1 TYR 6 1HE TYR 6 3.308 -11.689 -6.735
53 HE2 TYR 6 2HE TYR 6 5.475 -8.424 -8.514
54 HH TYR 6 HH TYR 6 5.512 -11.737 -8.496
55 H THR 7 H THR 7 4.329 -5.025 -4.092
56 HA THR 7 HA THR 7 3.587 -3.700 -1.553
57 HB THR 7 HB THR 7 5.181 -2.595 -3.959
58 HG1 THR 7 1HG THR 7 6.215 -3.916 -1.619
59 HG21 THR 7 3HG2 THR 7 5.204 -1.849 -1.033
60 HG22 THR 7 1HG2 THR 7 6.172 -1.123 -2.338
61 HG23 THR 7 2HG2 THR 7 4.402 -0.933 -2.332
62 H CYS 8 H CYS 8 2.319 -1.634 -1.678
63 HA CYS 8 HA CYS 8 0.376 -1.766 -3.860
64 HB2 CYS 8 2HB CYS 8 0.022 -1.623 -1.139
65 HB3 CYS 8 1HB CYS 8 -0.214 0.057 -1.657
66 H SER 9 H SER 9 3.186 -0.111 -2.912
67 HA SER 9 HA SER 9 4.345 1.780 -3.474
68 HB2 SER 9 2HB SER 9 4.091 3.057 -5.176
69 HB3 SER 9 1HB SER 9 3.449 1.471 -5.708
70 HG SER 9 HG SER 9 1.550 2.352 -6.088
71 H PHE 10 H PHE 10 0.899 2.714 -3.331
72 HA PHE 10 HA PHE 10 1.217 5.064 -1.957
73 HB2 PHE 10 1HB PHE 10 -0.763 3.401 -2.943
74 HB3 PHE 10 2HB PHE 10 -1.208 3.656 -1.392
75 HD1 PHE 10 2HD PHE 10 -0.772 5.119 -4.627
76 HD2 PHE 10 1HD PHE 10 -2.239 5.689 -0.637
77 HE1 PHE 10 2HE PHE 10 -2.186 6.993 -5.420
78 HE2 PHE 10 1HE PHE 10 -3.643 7.582 -1.420
79 HZ PHE 10 HZ PHE 10 -3.629 8.223 -3.817
80 H CYS 11 H CYS 11 0.864 1.742 -0.420
81 HA CYS 11 HA CYS 11 1.262 3.185 2.115
82 HB2 CYS 11 2HB CYS 11 0.380 1.206 3.232
83 HB3 CYS 11 1HB CYS 11 -0.794 1.887 2.088
84 H LYS 12 H LYS 12 3.331 2.262 -0.125
85 HA LYS 12 HA LYS 12 4.756 0.355 -0.550
86 HB2 LYS 12 2HB LYS 12 6.784 1.225 0.373
87 HB3 LYS 12 1HB LYS 12 5.702 2.641 0.168
88 HG2 LYS 12 2HG LYS 12 5.164 2.407 2.675
89 HG3 LYS 12 1HG LYS 12 6.479 1.260 2.776
90 HD2 LYS 12 2HD LYS 12 7.712 3.350 1.472
91 HD3 LYS 12 1HD LYS 12 6.563 4.192 2.507
92 HE2 LYS 12 2HE LYS 12 8.342 3.968 3.966
93 HE3 LYS 12 1HE LYS 12 7.471 2.479 4.347
94 HZ1 LYS 12 3HZ LYS 12 9.704 2.730 2.442
95 HZ2 LYS 12 1HZ LYS 12 9.782 2.084 3.993
96 HZ3 LYS 12 2HZ LYS 12 8.875 1.313 2.806
97 H ARG 13 H ARG 13 2.764 -0.709 1.339
98 HA ARG 13 HA ARG 13 4.440 -2.467 2.983
99 HB2 ARG 13 2HB ARG 13 2.073 -1.088 3.462
100 HB3 ARG 13 1HB ARG 13 1.494 -2.721 3.099
101 HG2 ARG 13 2HG ARG 13 3.645 -3.253 4.712
102 HG3 ARG 13 1HG ARG 13 3.032 -1.716 5.400
103 HD2 ARG 13 2HD ARG 13 1.277 -4.117 4.899
104 HD3 ARG 13 1HD ARG 13 2.169 -3.848 6.436
105 HE ARG 13 HE ARG 13 -0.312 -2.755 5.653
106 HH11 ARG 13 2HH2 ARG 13 2.592 -1.602 7.363
107 HH12 ARG 13 1HH2 ARG 13 1.621 -0.580 8.456
108 HH21 ARG 13 2HH1 ARG 13 -1.462 -1.421 7.050
109 HH22 ARG 13 1HH1 ARG 13 -0.582 -0.479 8.284
110 H GLU 14 H GLU 14 4.547 -4.559 2.848
111 HA GLU 14 HA GLU 14 3.828 -5.968 0.371
112 HB2 GLU 14 2HB GLU 14 5.780 -6.273 2.490
113 HB3 GLU 14 1HB GLU 14 4.931 -7.763 2.190
114 HG2 GLU 14 2HG GLU 14 6.743 -7.778 0.779
115 HG3 GLU 14 1HG GLU 14 5.342 -7.366 -0.272
116 H PHE 15 H PHE 15 2.083 -6.837 -0.042
117 HA PHE 15 HA PHE 15 0.350 -8.068 2.025
118 HB2 PHE 15 1HB PHE 15 -0.067 -6.767 -0.557
119 HB3 PHE 15 2HB PHE 15 -1.089 -7.984 -0.180
120 HD1 PHE 15 2HD PHE 15 0.188 -4.787 1.157
121 HD2 PHE 15 1HD PHE 15 -3.044 -7.608 0.912
122 HE1 PHE 15 2HE PHE 15 -1.217 -3.319 2.578
123 HE2 PHE 15 1HE PHE 15 -4.416 -6.177 2.392
124 HZ PHE 15 HZ PHE 15 -3.390 -4.168 3.442
125 H ARG 16 H ARG 16 -0.693 -10.078 1.503
126 HA ARG 16 HA ARG 16 0.981 -11.884 -0.176
127 HB2 ARG 16 2HB ARG 16 -0.561 -12.406 2.435
128 HB3 ARG 16 1HB ARG 16 0.217 -13.659 1.493
129 HG2 ARG 16 2HG ARG 16 2.403 -12.460 1.790
130 HG3 ARG 16 1HG ARG 16 1.578 -11.320 2.856
131 HD2 ARG 16 2HD ARG 16 0.871 -13.177 4.298
132 HD3 ARG 16 1HD ARG 16 1.743 -14.319 3.224
133 HE ARG 16 HE ARG 16 2.895 -12.350 5.074
134 HH11 ARG 16 2HH2 ARG 16 3.621 -14.666 2.469
135 HH12 ARG 16 1HH2 ARG 16 5.362 -14.678 2.861
136 HH21 ARG 16 2HH1 ARG 16 5.105 -12.357 5.478
137 HH22 ARG 16 1HH1 ARG 16 6.176 -13.408 4.514
138 H SER 17 H SER 17 -0.859 -10.588 -1.609
139 HA SER 17 HA SER 17 -2.495 -12.644 -2.800
140 HB2 SER 17 2HB SER 17 -4.713 -11.664 -2.301
141 HB3 SER 17 1HB SER 17 -3.982 -12.520 -0.944
142 HG SER 17 HG SER 17 -4.205 -10.760 0.161
143 H ALA 18 H ALA 18 -2.988 -12.165 -4.788
144 HA ALA 18 HA ALA 18 -2.271 -9.729 -6.097
145 HB1 ALA 18 1HB ALA 18 -3.351 -10.695 -8.001
146 HB2 ALA 18 2HB ALA 18 -2.304 -11.877 -7.179
147 HB3 ALA 18 3HB ALA 18 -4.070 -11.964 -6.981
148 H GLN 19 H GLN 19 -5.608 -10.988 -5.476
149 HA GLN 19 HA GLN 19 -6.870 -8.535 -6.293
150 HB2 GLN 19 2HB GLN 19 -7.647 -11.206 -5.587
151 HB3 GLN 19 1HB GLN 19 -8.587 -10.046 -4.618
152 HG2 GLN 19 2HG GLN 19 -8.517 -8.895 -7.191
153 HG3 GLN 19 1HG GLN 19 -8.751 -10.619 -7.501
154 HE21 GLN 19 2HE2 GLN 19 -10.573 -11.715 -6.555
155 HE22 GLN 19 1HE2 GLN 19 -12.016 -10.782 -6.075
156 H ALA 20 H ALA 20 -6.431 -9.760 -2.890
157 HA ALA 20 HA ALA 20 -7.461 -7.347 -1.820
158 HB1 ALA 20 1HB ALA 20 -6.614 -8.165 0.294
159 HB2 ALA 20 2HB ALA 20 -7.578 -9.361 -0.605
160 HB3 ALA 20 3HB ALA 20 -5.804 -9.499 -0.562
161 H LEU 21 H LEU 21 -4.403 -7.752 -3.396
162 HA LEU 21 HA LEU 21 -3.394 -5.253 -2.262
163 HB2 LEU 21 2HB LEU 21 -2.241 -7.532 -3.430
164 HB3 LEU 21 1HB LEU 21 -2.201 -6.397 -4.742
165 HG LEU 21 HG LEU 21 -1.204 -5.559 -2.024
166 HD11 LEU 21 1HD1 LEU 21 0.970 -6.447 -2.810
167 HD12 LEU 21 2HD1 LEU 21 -0.220 -7.764 -2.679
168 HD13 LEU 21 3HD1 LEU 21 0.188 -7.088 -4.274
169 HD21 LEU 21 3HD2 LEU 21 -1.484 -3.830 -3.749
170 HD22 LEU 21 1HD2 LEU 21 0.225 -4.135 -3.355
171 HD23 LEU 21 2HD2 LEU 21 -0.472 -4.788 -4.857
172 H GLY 22 H GLY 22 -4.424 -6.369 -5.639
173 HA2 GLY 22 2HA GLY 22 -4.518 -3.864 -6.883
174 HA3 GLY 22 1HA GLY 22 -5.543 -5.213 -7.297
175 H GLY 23 H GLY 23 -7.228 -5.535 -5.136
176 HA2 GLY 23 2HA GLY 23 -9.111 -3.389 -5.211
177 HA3 GLY 23 1HA GLY 23 -9.087 -4.724 -4.087
178 H HIS 24 H HIS 24 -6.482 -4.195 -2.788
179 HA HIS 24 HA HIS 24 -7.417 -2.314 -0.913
180 HB2 HIS 24 2HB HIS 24 -6.134 -4.014 -0.092
181 HB3 HIS 24 1HB HIS 24 -4.842 -3.763 -1.308
182 HD1 HIS 24 1HD HIS 24 -5.378 -3.368 2.063
183 HD2 HIS 24 2HD HIS 24 -3.801 -0.866 -0.868
184 HE1 HIS 24 1HE HIS 24 -3.925 -1.580 3.324
185 H MET 25 H MET 25 -4.955 -2.148 -3.536
186 HA MET 25 HA MET 25 -4.091 0.487 -3.421
187 HB2 MET 25 2HB MET 25 -3.770 -1.708 -5.020
188 HB3 MET 25 1HB MET 25 -4.738 -0.633 -6.082
189 HG2 MET 25 2HG MET 25 -2.117 0.089 -4.768
190 HG3 MET 25 1HG MET 25 -2.326 -0.456 -6.468
191 HE1 MET 25 3HE MET 25 -1.222 1.393 -7.679
192 HE2 MET 25 1HE MET 25 -1.333 3.115 -7.244
193 HE3 MET 25 2HE MET 25 -0.630 1.950 -6.096
194 H ASN 26 H ASN 26 -6.963 -0.786 -5.215
195 HA ASN 26 HA ASN 26 -7.932 1.731 -6.045
196 HB2 ASN 26 2HB ASN 26 -8.554 -0.702 -6.855
197 HB3 ASN 26 1HB ASN 26 -9.656 -0.746 -5.499
198 HD21 ASN 26 2HD2 ASN 26 -11.550 -0.767 -6.535
199 HD22 ASN 26 1HD2 ASN 26 -12.119 0.553 -7.592
200 H VAL 27 H VAL 27 -8.608 0.026 -2.944
201 HA VAL 27 HA VAL 27 -10.503 1.897 -2.039
202 HB VAL 27 HB VAL 27 -9.969 -0.417 -1.248
203 HG11 VAL 27 1HG1 VAL 27 -8.911 -0.526 0.951
204 HG12 VAL 27 2HG1 VAL 27 -7.728 -0.104 -0.310
205 HG13 VAL 27 3HG1 VAL 27 -8.354 1.156 0.780
206 HG21 VAL 27 3HG2 VAL 27 -11.878 0.855 -0.688
207 HG22 VAL 27 1HG2 VAL 27 -11.220 0.077 0.771
208 HG23 VAL 27 2HG2 VAL 27 -10.955 1.815 0.493
209 H HIS 28 H HIS 28 -7.043 2.410 -2.401
210 HA HIS 28 HA HIS 28 -6.591 4.348 -0.527
211 HB2 HIS 28 2HB HIS 28 -5.495 4.002 -3.284
212 HB3 HIS 28 1HB HIS 28 -4.906 5.218 -2.107
213 HD1 HIS 28 1HD HIS 28 -5.292 3.213 0.308
214 HD2 HIS 28 2HD HIS 28 -3.096 2.548 -3.165
215 HE1 HIS 28 1HE HIS 28 -3.500 1.387 0.908
216 H ARG 29 H ARG 29 -6.065 6.724 -1.293
217 HA ARG 29 HA ARG 29 -7.539 8.194 -3.228
218 HB2 ARG 29 2HB ARG 29 -9.073 9.427 -1.670
219 HB3 ARG 29 1HB ARG 29 -9.595 7.785 -1.985
220 HG2 ARG 29 2HG ARG 29 -8.585 7.050 0.123
221 HG3 ARG 29 1HG ARG 29 -8.094 8.746 0.447
222 HD2 ARG 29 2HD ARG 29 -10.455 9.405 0.571
223 HD3 ARG 29 1HD ARG 29 -10.957 7.754 0.209
224 HE ARG 29 HE ARG 29 -9.067 7.489 2.200
225 HH11 ARG 29 2HH2 ARG 29 -12.340 8.849 2.082
226 HH12 ARG 29 1HH2 ARG 29 -12.532 8.732 3.852
227 HH21 ARG 29 2HH1 ARG 29 -9.346 7.353 4.400
228 HH22 ARG 29 1HH1 ARG 29 -10.878 7.901 5.133
229 H ARG 30 H ARG 30 -6.330 10.012 -3.481
230 HA ARG 30 HA ARG 30 -4.359 10.986 -1.693
231 HB2 ARG 30 2HB ARG 30 -5.887 12.151 -3.993
232 HB3 ARG 30 1HB ARG 30 -5.183 13.281 -2.873
233 HG2 ARG 30 2HG ARG 30 -3.123 11.640 -3.152
234 HG3 ARG 30 1HG ARG 30 -3.960 11.430 -4.748
235 HD2 ARG 30 2HD ARG 30 -4.202 14.077 -4.658
236 HD3 ARG 30 1HD ARG 30 -2.906 14.026 -3.470
237 HE ARG 30 HE ARG 30 -2.045 12.538 -5.651
238 HH11 ARG 30 2HH2 ARG 30 -2.550 15.899 -4.671
239 HH12 ARG 30 1HH2 ARG 30 -1.602 16.544 -6.038
240 HH21 ARG 30 2HH1 ARG 30 -0.826 13.397 -7.375
241 HH22 ARG 30 1HH1 ARG 30 -0.651 15.166 -7.523
242 H ASP 31 H ASP 31 -4.370 12.082 0.118
243 HA ASP 31 HA ASP 31 -6.598 13.703 0.973
244 HB2 ASP 31 2HB ASP 31 -7.154 11.193 1.649
245 HB3 ASP 31 1HB ASP 31 -5.843 11.312 2.773
246 H ARG 32 H ARG 32 -5.793 15.304 2.236
247 HA ARG 32 HA ARG 32 -4.211 16.824 2.953
248 HB2 ARG 32 2HB ARG 32 -3.141 16.289 4.975
249 HB3 ARG 32 1HB ARG 32 -4.702 15.399 4.994
250 HG2 ARG 32 2HG ARG 32 -3.499 13.297 4.483
251 HG3 ARG 32 1HG ARG 32 -1.972 14.158 4.423
252 HD2 ARG 32 2HD ARG 32 -1.741 13.998 6.621
253 HD3 ARG 32 1HD ARG 32 -3.316 14.781 6.896
254 HE ARG 32 HE ARG 32 -2.728 11.930 6.854
255 HH11 ARG 32 2HH2 ARG 32 -5.372 14.293 6.594
256 HH12 ARG 32 1HH2 ARG 32 -6.601 13.082 7.046
257 HH21 ARG 32 2HH1 ARG 32 -4.329 10.450 7.441
258 HH22 ARG 32 1HH1 ARG 32 -6.031 10.982 7.509
259 H ALA 33 H ALA 33 -1.584 16.739 3.764
260 HA ALA 33 HA ALA 33 -0.093 16.626 1.325
261 HB1 ALA 33 1HB ALA 33 1.804 17.057 2.743
262 HB2 ALA 33 2HB ALA 33 0.437 18.142 3.093
263 HB3 ALA 33 3HB ALA 33 0.800 16.786 4.187
264 H ARG 34 H ARG 34 0.951 14.749 4.193
265 HA ARG 34 HA ARG 34 0.399 12.092 3.213
266 HB2 ARG 34 2HB ARG 34 2.313 12.644 1.675
267 HB3 ARG 34 1HB ARG 34 3.312 12.993 3.082
268 HG2 ARG 34 2HG ARG 34 3.674 10.739 3.475
269 HG3 ARG 34 1HG ARG 34 2.002 10.334 3.295
270 HD2 ARG 34 2HD ARG 34 2.987 9.182 1.550
271 HD3 ARG 34 1HD ARG 34 2.454 10.615 0.714
272 HE ARG 34 HE ARG 34 5.006 11.184 1.585
273 HH11 ARG 34 2HH2 ARG 34 3.412 8.874 -0.582
274 HH12 ARG 34 1HH2 ARG 34 4.872 8.653 -1.583
275 HH21 ARG 34 2HH1 ARG 34 6.875 10.839 0.282
276 HH22 ARG 34 1HH1 ARG 34 6.766 9.728 -1.110
277 H LEU 35 H LEU 35 -0.601 12.026 5.177
278 HA LEU 35 HA LEU 35 -0.829 11.737 7.500
279 HB2 LEU 35 2HB LEU 35 0.646 10.091 8.411
280 HB3 LEU 35 1HB LEU 35 -0.532 9.717 7.101
281 HG LEU 35 HG LEU 35 1.627 9.997 5.582
282 HD11 LEU 35 1HD1 LEU 35 3.629 9.151 6.612
283 HD12 LEU 35 2HD1 LEU 35 3.139 10.718 7.299
284 HD13 LEU 35 3HD1 LEU 35 2.852 9.217 8.212
285 HD21 LEU 35 3HD2 LEU 35 0.224 7.971 5.799
286 HD22 LEU 35 1HD2 LEU 35 1.956 7.565 5.780
287 HD23 LEU 35 2HD2 LEU 35 1.057 7.559 7.316
288 H ARG 36 H ARG 36 1.496 11.315 9.386
289 HA ARG 36 HA ARG 36 2.622 12.608 10.933
290 HB2 ARG 36 2HB ARG 36 3.848 13.328 8.211
291 HB3 ARG 36 1HB ARG 36 4.517 13.965 9.679
292 HG2 ARG 36 2HG ARG 36 5.217 11.895 10.436
293 HG3 ARG 36 1HG ARG 36 4.087 11.011 9.385
294 HD2 ARG 36 2HD ARG 36 5.623 11.005 7.664
295 HD3 ARG 36 1HD ARG 36 5.841 12.737 7.774
296 HE ARG 36 HE ARG 36 7.497 10.682 8.867
297 HH11 ARG 36 2HH2 ARG 36 6.693 14.135 9.088
298 HH12 ARG 36 1HH2 ARG 36 8.252 14.537 9.855
299 HH21 ARG 36 2HH1 ARG 36 9.478 11.255 9.821
300 HH22 ARG 36 1HH1 ARG 36 9.778 12.959 10.255
301 H LEU 37 H LEU 37 1.310 13.787 12.095
302 HA LEU 37 HA LEU 37 0.010 15.475 12.828
303 HB2 LEU 37 2HB LEU 37 2.085 17.063 11.501
304 HB3 LEU 37 1HB LEU 37 0.608 17.824 12.174
305 HG LEU 37 HG LEU 37 1.278 16.341 14.287
306 HD11 LEU 37 1HD1 LEU 37 3.669 16.252 14.641
307 HD12 LEU 37 2HD1 LEU 37 3.151 15.216 13.290
308 HD13 LEU 37 3HD1 LEU 37 3.945 16.775 12.962
309 HD21 LEU 37 3HD2 LEU 37 1.000 18.804 14.218
310 HD22 LEU 37 1HD2 LEU 37 2.442 18.349 15.157
311 HD23 LEU 37 2HD2 LEU 37 2.619 18.966 13.497
312 HN1 NH2 38 3HN NH2 38 -0.617 14.355 9.800
313 HN2 NH2 38 2HN NH2 38 -0.919 14.170 11.496
Start of MODEL 10
1 H1 ACE 0 2H1 ACE 0 14.547 -2.838 -4.945
2 H2 ACE 0 3H1 ACE 0 15.418 -4.269 -5.546
3 H3 ACE 0 1H1 ACE 0 14.063 -3.595 -6.481
4 H TRP 1 H TRP 1 13.560 -3.396 -3.162
5 HA TRP 1 HA TRP 1 12.148 -4.560 -1.713
6 HB2 TRP 1 2HB TRP 1 10.149 -5.352 -2.560
7 HB3 TRP 1 1HB TRP 1 10.639 -4.128 -3.774
8 HD1 TRP 1 HD TRP 1 11.413 -7.956 -3.478
9 HE1 TRP 1 1HE TRP 1 10.835 -9.077 -5.735
10 HE3 TRP 1 3HE TRP 1 9.832 -3.786 -5.918
11 HZ2 TRP 1 2HZ TRP 1 10.023 -8.232 -8.322
12 HZ3 TRP 1 3HZ TRP 1 9.169 -4.021 -8.311
13 HH2 TRP 1 HH TRP 1 9.247 -6.149 -9.509
14 HA PRO 2 HA PRO 2 14.410 -8.335 -1.147
15 HB2 PRO 2 2HB PRO 2 13.355 -9.022 1.238
16 HB3 PRO 2 1HB PRO 2 14.455 -7.651 1.098
17 HG2 PRO 2 2HG PRO 2 11.398 -7.618 1.188
18 HG3 PRO 2 1HG PRO 2 12.521 -6.624 2.110
19 HD2 PRO 2 1HD PRO 2 11.399 -5.713 -0.289
20 HD3 PRO 2 2HD PRO 2 13.111 -5.274 0.156
21 HA PRO 3 HA PRO 3 11.777 -11.573 -2.615
22 HB2 PRO 3 2HB PRO 3 12.985 -13.808 -1.559
23 HB3 PRO 3 1HB PRO 3 13.640 -12.921 -2.935
24 HG2 PRO 3 2HG PRO 3 14.399 -12.660 0.017
25 HG3 PRO 3 1HG PRO 3 15.473 -12.812 -1.370
26 HD2 PRO 3 1HD PRO 3 14.829 -10.296 -0.323
27 HD3 PRO 3 2HD PRO 3 14.974 -10.511 -2.135
28 H ARG 4 H ARG 4 12.154 -10.932 0.757
29 HA ARG 4 HA ARG 4 9.855 -12.619 1.523
30 HB2 ARG 4 2HB ARG 4 10.855 -12.336 3.881
31 HB3 ARG 4 1HB ARG 4 11.940 -13.180 2.819
32 HG2 ARG 4 2HG ARG 4 13.138 -11.072 2.382
33 HG3 ARG 4 1HG ARG 4 12.058 -10.272 3.568
34 HD2 ARG 4 2HD ARG 4 12.834 -11.838 5.270
35 HD3 ARG 4 1HD ARG 4 14.005 -12.503 4.060
36 HE ARG 4 HE ARG 4 13.992 -9.590 4.392
37 HH11 ARG 4 2HH2 ARG 4 15.750 -12.550 5.260
38 HH12 ARG 4 1HH2 ARG 4 17.167 -11.633 5.837
39 HH21 ARG 4 2HH1 ARG 4 15.824 -8.483 5.087
40 HH22 ARG 4 1HH1 ARG 4 17.208 -9.399 5.740
41 H SER 5 H SER 5 8.028 -11.559 1.659
42 HA SER 5 HA SER 5 6.449 -9.995 1.970
43 HB2 SER 5 2HB SER 5 8.528 -8.708 3.778
44 HB3 SER 5 1HB SER 5 6.870 -8.145 3.629
45 HG SER 5 HG SER 5 7.567 -9.796 5.349
46 H TYR 6 H TYR 6 5.611 -8.025 1.350
47 HA TYR 6 HA TYR 6 7.445 -6.289 -0.346
48 HB2 TYR 6 1HB TYR 6 4.661 -7.134 -0.837
49 HB3 TYR 6 2HB TYR 6 5.330 -5.848 -1.589
50 HD1 TYR 6 1HD TYR 6 7.600 -6.191 -2.817
51 HD2 TYR 6 2HD TYR 6 4.899 -9.343 -1.713
52 HE1 TYR 6 1HE TYR 6 8.385 -7.528 -4.718
53 HE2 TYR 6 2HE TYR 6 5.889 -10.796 -3.458
54 HH TYR 6 HH TYR 6 8.349 -9.462 -5.717
55 H THR 7 H THR 7 7.645 -4.306 -0.136
56 HA THR 7 HA THR 7 6.485 -2.824 2.070
57 HB THR 7 HB THR 7 7.789 -0.933 1.023
58 HG1 THR 7 1HG THR 7 9.285 -1.561 -0.630
59 HG21 THR 7 3HG2 THR 7 9.335 -3.486 1.549
60 HG22 THR 7 1HG2 THR 7 9.971 -1.824 1.595
61 HG23 THR 7 2HG2 THR 7 8.761 -2.347 2.790
62 H CYS 8 H CYS 8 5.273 -0.787 1.786
63 HA CYS 8 HA CYS 8 3.345 -1.062 -0.398
64 HB2 CYS 8 2HB CYS 8 2.961 -0.792 2.305
65 HB3 CYS 8 1HB CYS 8 2.720 0.862 1.710
66 H SER 9 H SER 9 6.205 0.500 0.139
67 HA SER 9 HA SER 9 7.332 2.429 -0.384
68 HB2 SER 9 2HB SER 9 6.976 3.712 -2.058
69 HB3 SER 9 1HB SER 9 6.322 2.116 -2.548
70 HG SER 9 HG SER 9 4.305 2.919 -2.639
71 H PHE 10 H PHE 10 3.907 3.429 -0.037
72 HA PHE 10 HA PHE 10 4.320 5.810 1.218
73 HB2 PHE 10 1HB PHE 10 2.255 4.191 0.456
74 HB3 PHE 10 2HB PHE 10 1.985 4.331 2.061
75 HD1 PHE 10 1HD PHE 10 2.478 6.256 -0.979
76 HD2 PHE 10 2HD PHE 10 0.719 6.119 2.935
77 HE1 PHE 10 1HE PHE 10 1.128 8.263 -1.518
78 HE2 PHE 10 2HE PHE 10 -0.700 8.073 2.359
79 HZ PHE 10 HZ PHE 10 -0.361 9.242 0.203
80 H CYS 11 H CYS 11 3.913 2.594 2.962
81 HA CYS 11 HA CYS 11 4.812 4.085 5.336
82 HB2 CYS 11 2HB CYS 11 3.824 2.097 6.583
83 HB3 CYS 11 1HB CYS 11 2.695 3.263 5.864
84 H LYS 12 H LYS 12 6.509 2.799 3.017
85 HA LYS 12 HA LYS 12 7.451 0.546 2.529
86 HB2 LYS 12 2HB LYS 12 9.693 0.881 3.343
87 HB3 LYS 12 1HB LYS 12 9.001 2.438 2.751
88 HG2 LYS 12 2HG LYS 12 9.095 1.787 5.673
89 HG3 LYS 12 1HG LYS 12 10.528 2.430 4.809
90 HD2 LYS 12 2HD LYS 12 9.080 4.400 4.097
91 HD3 LYS 12 1HD LYS 12 7.827 3.800 5.176
92 HE2 LYS 12 2HE LYS 12 9.452 3.956 7.095
93 HE3 LYS 12 1HE LYS 12 10.643 4.641 6.000
94 HZ1 LYS 12 3HZ LYS 12 7.996 5.769 6.585
95 HZ2 LYS 12 1HZ LYS 12 9.475 6.304 7.179
96 HZ3 LYS 12 2HZ LYS 12 9.135 6.424 5.536
97 H ARG 13 H ARG 13 5.492 0.033 4.569
98 HA ARG 13 HA ARG 13 6.609 -1.852 6.340
99 HB2 ARG 13 2HB ARG 13 4.039 -0.676 5.592
100 HB3 ARG 13 1HB ARG 13 3.894 -2.426 5.967
101 HG2 ARG 13 2HG ARG 13 5.428 -0.888 7.970
102 HG3 ARG 13 1HG ARG 13 3.743 -0.389 7.819
103 HD2 ARG 13 2HD ARG 13 3.298 -3.010 7.850
104 HD3 ARG 13 1HD ARG 13 4.880 -3.034 8.660
105 HE ARG 13 HE ARG 13 2.397 -1.785 9.620
106 HH11 ARG 13 2HH2 ARG 13 5.798 -2.525 10.326
107 HH12 ARG 13 1HH2 ARG 13 5.626 -2.046 12.036
108 HH21 ARG 13 2HH1 ARG 13 2.245 -1.172 11.785
109 HH22 ARG 13 1HH1 ARG 13 3.681 -1.307 12.835
110 H GLU 14 H GLU 14 7.281 -3.754 5.982
111 HA GLU 14 HA GLU 14 6.942 -5.285 3.533
112 HB2 GLU 14 2HB GLU 14 8.289 -5.796 6.209
113 HB3 GLU 14 1HB GLU 14 8.288 -6.950 4.885
114 HG2 GLU 14 2HG GLU 14 9.900 -5.774 3.739
115 HG3 GLU 14 1HG GLU 14 9.135 -4.237 4.021
116 H PHE 15 H PHE 15 4.971 -6.059 3.092
117 HA PHE 15 HA PHE 15 3.587 -7.710 5.138
118 HB2 PHE 15 1HB PHE 15 2.800 -6.372 2.652
119 HB3 PHE 15 2HB PHE 15 1.909 -7.618 3.217
120 HD1 PHE 15 1HD PHE 15 3.405 -4.566 4.750
121 HD2 PHE 15 2HD PHE 15 -0.084 -6.965 4.042
122 HE1 PHE 15 1HE PHE 15 2.047 -2.999 6.097
123 HE2 PHE 15 2HE PHE 15 -1.443 -5.385 5.380
124 HZ PHE 15 HZ PHE 15 -0.351 -3.444 6.482
125 H ARG 16 H ARG 16 3.557 -9.782 5.139
126 HA ARG 16 HA ARG 16 4.416 -11.447 2.936
127 HB2 ARG 16 2HB ARG 16 3.490 -11.783 5.800
128 HB3 ARG 16 1HB ARG 16 3.226 -13.153 4.747
129 HG2 ARG 16 2HG ARG 16 5.951 -11.816 4.993
130 HG3 ARG 16 1HG ARG 16 5.436 -13.140 6.011
131 HD2 ARG 16 2HD ARG 16 5.467 -13.273 2.988
132 HD3 ARG 16 1HD ARG 16 6.797 -13.804 4.046
133 HE ARG 16 HE ARG 16 4.494 -15.011 5.022
134 HH11 ARG 16 2HH2 ARG 16 5.975 -15.110 1.799
135 HH12 ARG 16 1HH2 ARG 16 5.564 -16.832 1.578
136 HH21 ARG 16 2HH1 ARG 16 3.938 -17.158 4.662
137 HH22 ARG 16 1HH1 ARG 16 4.442 -17.953 3.147
138 H SER 17 H SER 17 2.693 -9.921 1.761
139 HA SER 17 HA SER 17 0.335 -11.539 1.058
140 HB2 SER 17 2HB SER 17 0.171 -8.869 2.473
141 HB3 SER 17 1HB SER 17 -1.125 -9.500 1.425
142 HG SER 17 HG SER 17 -0.056 -11.276 3.380
143 H ALA 18 H ALA 18 -0.690 -10.875 -0.785
144 HA ALA 18 HA ALA 18 0.733 -8.869 -2.485
145 HB1 ALA 18 1HB ALA 18 -0.079 -10.107 -4.382
146 HB2 ALA 18 2HB ALA 18 0.950 -11.097 -3.319
147 HB3 ALA 18 3HB ALA 18 -0.817 -11.308 -3.296
148 H GLN 19 H GLN 19 -2.581 -10.327 -2.629
149 HA GLN 19 HA GLN 19 -3.804 -7.944 -3.464
150 HB2 GLN 19 2HB GLN 19 -4.487 -10.590 -3.409
151 HB3 GLN 19 1HB GLN 19 -5.428 -10.022 -2.023
152 HG2 GLN 19 2HG GLN 19 -6.527 -8.300 -3.459
153 HG3 GLN 19 1HG GLN 19 -5.556 -8.785 -4.828
154 HE21 GLN 19 2HE2 GLN 19 -7.038 -9.520 -6.198
155 HE22 GLN 19 1HE2 GLN 19 -8.148 -10.870 -5.843
156 H ALA 20 H ALA 20 -3.854 -9.278 -0.088
157 HA ALA 20 HA ALA 20 -5.209 -7.214 1.192
158 HB1 ALA 20 1HB ALA 20 -3.988 -7.845 3.154
159 HB2 ALA 20 2HB ALA 20 -4.528 -9.277 2.246
160 HB3 ALA 20 3HB ALA 20 -2.826 -8.764 2.169
161 H LEU 21 H LEU 21 -1.744 -7.198 0.209
162 HA LEU 21 HA LEU 21 -1.109 -4.626 1.395
163 HB2 LEU 21 2HB LEU 21 0.407 -6.525 1.056
164 HB3 LEU 21 1HB LEU 21 0.337 -6.159 -0.709
165 HG LEU 21 HG LEU 21 2.405 -5.306 0.548
166 HD11 LEU 21 1HD1 LEU 21 2.543 -3.269 -0.631
167 HD12 LEU 21 2HD1 LEU 21 1.907 -4.586 -1.645
168 HD13 LEU 21 3HD1 LEU 21 0.806 -3.339 -1.011
169 HD21 LEU 21 3HD2 LEU 21 1.275 -4.519 2.586
170 HD22 LEU 21 1HD2 LEU 21 2.179 -3.227 1.761
171 HD23 LEU 21 2HD2 LEU 21 0.406 -3.303 1.620
172 H GLY 22 H GLY 22 -1.836 -5.719 -2.040
173 HA2 GLY 22 2HA GLY 22 -1.778 -3.259 -3.343
174 HA3 GLY 22 1HA GLY 22 -2.863 -4.562 -3.753
175 H GLY 23 H GLY 23 -4.702 -4.728 -1.722
176 HA2 GLY 23 2HA GLY 23 -6.419 -2.467 -1.920
177 HA3 GLY 23 1HA GLY 23 -6.514 -3.710 -0.708
178 H HIS 24 H HIS 24 -3.938 -3.269 0.545
179 HA HIS 24 HA HIS 24 -4.769 -1.326 2.404
180 HB2 HIS 24 2HB HIS 24 -3.651 -3.109 3.269
181 HB3 HIS 24 1HB HIS 24 -2.328 -3.001 2.066
182 HD1 HIS 24 1HD HIS 24 -3.037 -2.338 5.429
183 HD2 HIS 24 2HD HIS 24 -0.830 -0.395 2.481
184 HE1 HIS 24 1HE HIS 24 -1.382 -0.733 6.687
185 H MET 25 H MET 25 -2.230 -1.350 -0.142
186 HA MET 25 HA MET 25 -1.209 1.238 -0.003
187 HB2 MET 25 2HB MET 25 -0.821 -0.958 -1.487
188 HB3 MET 25 1HB MET 25 -1.807 -0.002 -2.640
189 HG2 MET 25 2HG MET 25 0.724 0.978 -1.319
190 HG3 MET 25 1HG MET 25 0.643 0.214 -2.944
191 HE1 MET 25 3HE MET 25 1.074 1.610 -4.801
192 HE2 MET 25 1HE MET 25 1.180 3.383 -4.684
193 HE3 MET 25 2HE MET 25 2.121 2.360 -3.573
194 H ASN 26 H ASN 26 -4.108 0.128 -1.893
195 HA ASN 26 HA ASN 26 -4.839 2.690 -2.849
196 HB2 ASN 26 2HB ASN 26 -5.734 0.289 -3.545
197 HB3 ASN 26 1HB ASN 26 -6.840 0.453 -2.219
198 HD21 ASN 26 2HD2 ASN 26 -7.686 0.097 -4.762
199 HD22 ASN 26 1HD2 ASN 26 -8.492 1.586 -5.324
200 H VAL 27 H VAL 27 -5.836 1.059 0.217
201 HA VAL 27 HA VAL 27 -7.578 3.055 1.105
202 HB VAL 27 HB VAL 27 -7.230 0.700 1.881
203 HG11 VAL 27 1HG1 VAL 27 -6.258 0.497 4.112
204 HG12 VAL 27 2HG1 VAL 27 -5.008 0.853 2.897
205 HG13 VAL 27 3HG1 VAL 27 -5.586 2.139 3.982
206 HG21 VAL 27 3HG2 VAL 27 -9.066 2.101 2.394
207 HG22 VAL 27 1HG2 VAL 27 -8.516 1.261 3.863
208 HG23 VAL 27 2HG2 VAL 27 -8.118 2.978 3.618
209 H HIS 28 H HIS 28 -4.070 3.348 0.880
210 HA HIS 28 HA HIS 28 -3.536 5.209 2.780
211 HB2 HIS 28 2HB HIS 28 -2.475 4.874 0.011
212 HB3 HIS 28 1HB HIS 28 -1.848 6.092 1.165
213 HD1 HIS 28 1HD HIS 28 -2.154 4.210 3.640
214 HD2 HIS 28 2HD HIS 28 -0.188 3.286 0.087
215 HE1 HIS 28 1HE HIS 28 -0.412 2.336 4.228
216 H ARG 29 H ARG 29 -5.649 5.642 -0.066
217 HA ARG 29 HA ARG 29 -6.959 7.384 -0.755
218 HB2 ARG 29 2HB ARG 29 -6.556 7.963 2.184
219 HB3 ARG 29 1HB ARG 29 -7.562 9.022 1.138
220 HG2 ARG 29 2HG ARG 29 -8.167 6.077 1.280
221 HG3 ARG 29 1HG ARG 29 -8.684 7.134 2.592
222 HD2 ARG 29 2HD ARG 29 -9.501 8.627 0.499
223 HD3 ARG 29 1HD ARG 29 -9.605 7.000 -0.228
224 HE ARG 29 HE ARG 29 -11.259 8.113 1.850
225 HH11 ARG 29 2HH2 ARG 29 -10.287 5.069 0.338
226 HH12 ARG 29 1HH2 ARG 29 -11.537 4.134 1.203
227 HH21 ARG 29 2HH1 ARG 29 -12.850 6.903 2.914
228 HH22 ARG 29 1HH1 ARG 29 -12.951 5.146 2.620
229 H ARG 30 H ARG 30 -4.786 7.809 -1.984
230 HA ARG 30 HA ARG 30 -4.465 10.596 -2.279
231 HB2 ARG 30 2HB ARG 30 -3.244 10.086 -0.042
232 HB3 ARG 30 1HB ARG 30 -2.038 9.230 -1.055
233 HG2 ARG 30 2HG ARG 30 -1.218 11.209 -1.967
234 HG3 ARG 30 1HG ARG 30 -2.727 12.090 -1.708
235 HD2 ARG 30 2HD ARG 30 -1.512 11.139 0.794
236 HD3 ARG 30 1HD ARG 30 -0.470 12.254 -0.132
237 HE ARG 30 HE ARG 30 -2.961 13.399 -0.234
238 HH11 ARG 30 2HH2 ARG 30 -1.492 12.084 2.681
239 HH12 ARG 30 1HH2 ARG 30 -1.940 13.506 3.661
240 HH21 ARG 30 2HH1 ARG 30 -3.626 15.120 1.055
241 HH22 ARG 30 1HH1 ARG 30 -3.125 15.175 2.766
242 H ASP 31 H ASP 31 -2.961 11.138 -3.920
243 HA ASP 31 HA ASP 31 -1.704 10.936 -5.810
244 HB2 ASP 31 2HB ASP 31 -1.522 7.982 -5.521
245 HB3 ASP 31 1HB ASP 31 -0.461 9.135 -6.403
246 H ARG 32 H ARG 32 -2.172 8.283 -7.467
247 HA ARG 32 HA ARG 32 -4.319 8.968 -9.094
248 HB2 ARG 32 2HB ARG 32 -3.960 6.512 -9.882
249 HB3 ARG 32 1HB ARG 32 -2.454 7.356 -9.739
250 HG2 ARG 32 2HG ARG 32 -2.483 6.295 -7.259
251 HG3 ARG 32 1HG ARG 32 -3.524 5.141 -8.037
252 HD2 ARG 32 2HD ARG 32 -0.786 5.908 -9.084
253 HD3 ARG 32 1HD ARG 32 -1.140 4.511 -8.072
254 HE ARG 32 HE ARG 32 -2.876 4.157 -10.074
255 HH11 ARG 32 2HH2 ARG 32 0.588 4.937 -10.178
256 HH12 ARG 32 1HH2 ARG 32 0.839 4.026 -11.692
257 HH21 ARG 32 2HH1 ARG 32 -2.514 3.055 -12.028
258 HH22 ARG 32 1HH1 ARG 32 -0.865 2.994 -12.707
259 H ALA 33 H ALA 33 -6.390 8.259 -9.332
260 HA ALA 33 HA ALA 33 -8.584 7.821 -8.671
261 HB1 ALA 33 1HB ALA 33 -9.074 5.904 -7.417
262 HB2 ALA 33 2HB ALA 33 -7.910 5.564 -8.719
263 HB3 ALA 33 3HB ALA 33 -7.351 5.672 -7.033
264 H ARG 34 H ARG 34 -9.448 9.517 -7.771
265 HA ARG 34 HA ARG 34 -8.774 10.557 -5.191
266 HB2 ARG 34 2HB ARG 34 -9.808 11.919 -7.097
267 HB3 ARG 34 1HB ARG 34 -11.297 11.034 -6.894
268 HG2 ARG 34 2HG ARG 34 -10.420 12.126 -4.330
269 HG3 ARG 34 1HG ARG 34 -10.543 13.374 -5.558
270 HD2 ARG 34 2HD ARG 34 -12.757 11.352 -5.266
271 HD3 ARG 34 1HD ARG 34 -12.636 12.735 -4.157
272 HE ARG 34 HE ARG 34 -12.375 13.951 -6.519
273 HH11 ARG 34 2HH2 ARG 34 -14.822 11.531 -5.588
274 HH12 ARG 34 1HH2 ARG 34 -16.063 12.288 -6.623
275 HH21 ARG 34 2HH1 ARG 34 -13.982 14.845 -7.803
276 HH22 ARG 34 1HH1 ARG 34 -15.602 14.100 -7.835
277 H LEU 35 H LEU 35 -11.967 9.145 -5.965
278 HA LEU 35 HA LEU 35 -13.500 8.145 -4.649
279 HB2 LEU 35 2HB LEU 35 -11.008 6.559 -4.215
280 HB3 LEU 35 1HB LEU 35 -12.515 6.101 -3.432
281 HG LEU 35 HG LEU 35 -12.613 6.752 -6.358
282 HD11 LEU 35 1HD1 LEU 35 -11.940 4.449 -6.904
283 HD12 LEU 35 2HD1 LEU 35 -10.604 5.341 -6.137
284 HD13 LEU 35 3HD1 LEU 35 -11.539 4.155 -5.195
285 HD21 LEU 35 3HD2 LEU 35 -14.662 6.195 -5.082
286 HD22 LEU 35 1HD2 LEU 35 -14.292 4.943 -6.292
287 HD23 LEU 35 2HD2 LEU 35 -13.925 4.656 -4.574
288 H ARG 36 H ARG 36 -13.672 10.278 -3.483
289 HA ARG 36 HA ARG 36 -13.249 9.943 -0.596
290 HB2 ARG 36 2HB ARG 36 -11.539 11.553 -2.037
291 HB3 ARG 36 1HB ARG 36 -12.841 12.696 -1.795
292 HG2 ARG 36 2HG ARG 36 -12.730 12.089 0.686
293 HG3 ARG 36 1HG ARG 36 -11.197 11.278 0.290
294 HD2 ARG 36 2HD ARG 36 -10.529 13.495 -0.875
295 HD3 ARG 36 1HD ARG 36 -11.904 14.220 -0.022
296 HE ARG 36 HE ARG 36 -10.164 12.682 1.694
297 HH11 ARG 36 2HH2 ARG 36 -10.783 15.940 0.422
298 HH12 ARG 36 1HH2 ARG 36 -9.651 16.696 1.575
299 HH21 ARG 36 2HH1 ARG 36 -8.804 13.701 3.185
300 HH22 ARG 36 1HH1 ARG 36 -8.568 15.467 3.093
301 H LEU 37 H LEU 37 -14.655 11.409 0.645
302 HA LEU 37 HA LEU 37 -17.324 11.442 0.075
303 HB2 LEU 37 2HB LEU 37 -15.481 12.627 2.024
304 HB3 LEU 37 1HB LEU 37 -16.784 13.744 1.695
305 HG LEU 37 HG LEU 37 -17.582 10.911 2.113
306 HD11 LEU 37 1HD1 LEU 37 -17.407 11.175 4.560
307 HD12 LEU 37 2HD1 LEU 37 -15.800 11.219 3.797
308 HD13 LEU 37 3HD1 LEU 37 -16.570 12.730 4.337
309 HD21 LEU 37 3HD2 LEU 37 -19.217 12.729 1.712
310 HD22 LEU 37 1HD2 LEU 37 -19.393 12.052 3.349
311 HD23 LEU 37 2HD2 LEU 37 -18.574 13.615 3.115
312 HN1 NH2 38 3HN NH2 38 -15.754 11.750 -0.583
313 HN2 NH2 38 2HN NH2 38 -17.447 11.482 -0.332
Start of MODEL 11
1 H1 ACE 0 2H1 ACE 0 2.052 -8.300 -9.553
2 H2 ACE 0 3H1 ACE 0 1.548 -9.914 -8.998
3 H3 ACE 0 1H1 ACE 0 0.416 -8.543 -8.897
4 H TRP 1 H TRP 1 1.409 -10.383 -6.837
5 HA TRP 1 HA TRP 1 2.734 -8.363 -5.045
6 HB2 TRP 1 2HB TRP 1 0.427 -10.233 -4.584
7 HB3 TRP 1 1HB TRP 1 1.498 -9.736 -3.237
8 HD1 TRP 1 HD TRP 1 -1.728 -8.806 -4.410
9 HE1 TRP 1 1HE TRP 1 -2.331 -6.352 -3.867
10 HE3 TRP 1 3HE TRP 1 2.989 -7.132 -3.527
11 HZ2 TRP 1 2HZ TRP 1 -0.930 -3.938 -3.336
12 HZ3 TRP 1 3HZ TRP 1 3.286 -4.711 -3.003
13 HH2 TRP 1 HH TRP 1 1.422 -3.132 -2.904
14 HA PRO 2 HA PRO 2 5.556 -11.983 -5.499
15 HB2 PRO 2 2HB PRO 2 7.778 -10.610 -5.641
16 HB3 PRO 2 1HB PRO 2 6.694 -10.979 -7.066
17 HG2 PRO 2 2HG PRO 2 7.018 -8.463 -5.437
18 HG3 PRO 2 1HG PRO 2 6.896 -8.651 -7.255
19 HD2 PRO 2 1HD PRO 2 4.607 -8.028 -5.607
20 HD3 PRO 2 2HD PRO 2 4.478 -9.007 -7.139
21 HA PRO 3 HA PRO 3 6.652 -12.029 -1.164
22 HB2 PRO 3 2HB PRO 3 8.564 -13.941 -1.139
23 HB3 PRO 3 1HB PRO 3 6.877 -14.349 -1.442
24 HG2 PRO 3 2HG PRO 3 9.106 -13.899 -3.492
25 HG3 PRO 3 1HG PRO 3 7.972 -15.243 -3.406
26 HD2 PRO 3 1HD PRO 3 7.458 -13.011 -5.030
27 HD3 PRO 3 2HD PRO 3 6.085 -13.835 -4.148
28 H ARG 4 H ARG 4 8.990 -12.275 0.083
29 HA ARG 4 HA ARG 4 10.717 -10.962 0.941
30 HB2 ARG 4 2HB ARG 4 11.365 -10.484 -1.996
31 HB3 ARG 4 1HB ARG 4 12.344 -9.956 -0.657
32 HG2 ARG 4 2HG ARG 4 12.118 -12.583 -0.020
33 HG3 ARG 4 1HG ARG 4 11.983 -12.663 -1.780
34 HD2 ARG 4 2HD ARG 4 14.150 -10.823 -0.891
35 HD3 ARG 4 1HD ARG 4 14.405 -12.459 -0.371
36 HE ARG 4 HE ARG 4 13.688 -12.531 -3.067
37 HH11 ARG 4 2HH2 ARG 4 16.262 -11.007 -1.168
38 HH12 ARG 4 1HH2 ARG 4 17.507 -11.357 -2.397
39 HH21 ARG 4 2HH1 ARG 4 15.325 -12.921 -4.633
40 HH22 ARG 4 1HH1 ARG 4 16.995 -12.398 -4.285
41 H SER 5 H SER 5 11.578 -8.966 1.398
42 HA SER 5 HA SER 5 9.669 -6.903 1.816
43 HB2 SER 5 2HB SER 5 12.704 -6.750 1.790
44 HB3 SER 5 1HB SER 5 11.593 -5.586 2.519
45 HG SER 5 HG SER 5 12.376 -7.008 4.113
46 H TYR 6 H TYR 6 9.016 -5.243 0.811
47 HA TYR 6 HA TYR 6 10.585 -4.136 -1.539
48 HB2 TYR 6 1HB TYR 6 7.699 -4.719 -1.508
49 HB3 TYR 6 2HB TYR 6 8.409 -3.714 -2.582
50 HD1 TYR 6 2HD TYR 6 10.394 -4.624 -3.965
51 HD2 TYR 6 1HD TYR 6 7.473 -7.046 -1.949
52 HE1 TYR 6 2HE TYR 6 10.908 -6.486 -5.490
53 HE2 TYR 6 1HE TYR 6 7.881 -8.864 -3.554
54 HH TYR 6 HH TYR 6 10.428 -8.535 -6.085
55 H THR 7 H THR 7 10.258 -2.047 -2.157
56 HA THR 7 HA THR 7 9.925 -0.161 0.060
57 HB THR 7 HB THR 7 10.670 1.495 -1.650
58 HG1 THR 7 1HG THR 7 11.434 0.562 -3.675
59 HG21 THR 7 3HG2 THR 7 12.421 -0.972 -1.511
60 HG22 THR 7 1HG2 THR 7 12.931 0.681 -1.929
61 HG23 THR 7 2HG2 THR 7 12.348 0.318 -0.288
62 H CYS 8 H CYS 8 8.562 1.787 -0.231
63 HA CYS 8 HA CYS 8 5.974 1.064 -1.378
64 HB2 CYS 8 2HB CYS 8 6.641 2.086 1.079
65 HB3 CYS 8 1HB CYS 8 6.112 3.527 0.188
66 H SER 9 H SER 9 8.723 2.495 -2.531
67 HA SER 9 HA SER 9 9.438 4.226 -3.876
68 HB2 SER 9 2HB SER 9 8.403 4.993 -5.555
69 HB3 SER 9 1HB SER 9 7.695 3.366 -5.302
70 HG SER 9 HG SER 9 5.772 4.235 -5.104
71 H PHE 10 H PHE 10 6.316 5.544 -2.587
72 HA PHE 10 HA PHE 10 7.195 8.160 -2.104
73 HB2 PHE 10 1HB PHE 10 5.102 6.517 -0.946
74 HB3 PHE 10 2HB PHE 10 5.456 7.958 -0.264
75 HD1 PHE 10 1HD PHE 10 4.970 10.068 -1.280
76 HD2 PHE 10 2HD PHE 10 3.844 6.300 -2.998
77 HE1 PHE 10 1HE PHE 10 3.187 11.199 -2.577
78 HE2 PHE 10 2HE PHE 10 2.058 7.427 -4.296
79 HZ PHE 10 HZ PHE 10 1.744 9.881 -4.106
80 H CYS 11 H CYS 11 7.431 5.418 0.365
81 HA CYS 11 HA CYS 11 9.052 7.388 1.836
82 HB2 CYS 11 2HB CYS 11 8.499 6.199 3.865
83 HB3 CYS 11 1HB CYS 11 7.019 6.714 3.032
84 H LYS 12 H LYS 12 9.850 5.410 -0.475
85 HA LYS 12 HA LYS 12 10.664 3.093 -0.662
86 HB2 LYS 12 2HB LYS 12 13.029 3.499 -0.778
87 HB3 LYS 12 1HB LYS 12 12.151 4.950 -1.384
88 HG2 LYS 12 2HG LYS 12 13.140 4.904 1.431
89 HG3 LYS 12 1HG LYS 12 14.298 5.168 0.089
90 HD2 LYS 12 2HD LYS 12 12.886 7.102 -0.667
91 HD3 LYS 12 1HD LYS 12 11.861 6.876 0.753
92 HE2 LYS 12 2HE LYS 12 13.798 7.303 2.247
93 HE3 LYS 12 1HE LYS 12 14.867 7.441 0.863
94 HZ1 LYS 12 3HZ LYS 12 12.573 9.177 1.441
95 HZ2 LYS 12 1HZ LYS 12 14.200 9.540 1.669
96 HZ3 LYS 12 2HZ LYS 12 13.599 9.310 0.115
97 H ARG 13 H ARG 13 9.588 3.203 2.099
98 HA ARG 13 HA ARG 13 11.449 1.676 3.613
99 HB2 ARG 13 2HB ARG 13 9.748 3.164 4.593
100 HB3 ARG 13 1HB ARG 13 8.453 2.136 3.896
101 HG2 ARG 13 2HG ARG 13 9.362 0.237 5.363
102 HG3 ARG 13 1HG ARG 13 10.364 1.428 6.166
103 HD2 ARG 13 2HD ARG 13 7.416 2.068 5.976
104 HD3 ARG 13 1HD ARG 13 7.891 0.821 7.076
105 HE ARG 13 HE ARG 13 8.283 3.607 7.325
106 HH11 ARG 13 2HH2 ARG 13 9.774 0.529 8.289
107 HH12 ARG 13 1HH2 ARG 13 10.375 1.205 9.827
108 HH21 ARG 13 2HH1 ARG 13 9.069 4.409 9.308
109 HH22 ARG 13 1HH1 ARG 13 9.991 3.323 10.383
110 H GLU 14 H GLU 14 11.792 -0.284 3.821
111 HA GLU 14 HA GLU 14 10.712 -2.385 2.085
112 HB2 GLU 14 2HB GLU 14 12.094 -3.876 3.300
113 HB3 GLU 14 1HB GLU 14 12.909 -2.541 2.408
114 HG2 GLU 14 2HG GLU 14 12.501 -2.365 5.407
115 HG3 GLU 14 1HG GLU 14 13.853 -3.256 4.743
116 H PHE 15 H PHE 15 8.726 -2.931 2.323
117 HA PHE 15 HA PHE 15 7.710 -3.881 4.943
118 HB2 PHE 15 1HB PHE 15 6.523 -3.140 2.373
119 HB3 PHE 15 2HB PHE 15 5.726 -4.206 3.318
120 HD1 PHE 15 2HD PHE 15 7.015 -0.777 3.188
121 HD2 PHE 15 1HD PHE 15 4.444 -3.590 5.172
122 HE1 PHE 15 2HE PHE 15 6.061 1.050 4.567
123 HE2 PHE 15 1HE PHE 15 3.574 -1.778 6.620
124 HZ PHE 15 HZ PHE 15 4.627 0.473 6.516
125 H ARG 16 H ARG 16 7.589 -5.895 5.446
126 HA ARG 16 HA ARG 16 8.369 -8.033 3.642
127 HB2 ARG 16 2HB ARG 16 8.218 -9.370 5.846
128 HB3 ARG 16 1HB ARG 16 9.187 -7.946 6.062
129 HG2 ARG 16 2HG ARG 16 7.861 -7.403 7.795
130 HG3 ARG 16 1HG ARG 16 6.540 -7.120 6.695
131 HD2 ARG 16 2HD ARG 16 5.547 -8.700 7.945
132 HD3 ARG 16 1HD ARG 16 6.389 -9.818 6.859
133 HE ARG 16 HE ARG 16 7.813 -10.397 8.553
134 HH11 ARG 16 2HH2 ARG 16 5.904 -7.613 9.665
135 HH12 ARG 16 1HH2 ARG 16 6.555 -7.719 11.323
136 HH21 ARG 16 2HH1 ARG 16 8.593 -10.492 10.694
137 HH22 ARG 16 1HH1 ARG 16 8.022 -9.291 11.884
138 H SER 17 H SER 17 5.840 -6.703 2.940
139 HA SER 17 HA SER 17 3.868 -8.883 2.953
140 HB2 SER 17 2HB SER 17 2.201 -7.676 4.274
141 HB3 SER 17 1HB SER 17 3.547 -8.287 5.234
142 HG SER 17 HG SER 17 3.307 -6.225 5.932
143 H ALA 18 H ALA 18 2.692 -8.829 1.359
144 HA ALA 18 HA ALA 18 2.754 -6.960 -0.689
145 HB1 ALA 18 1HB ALA 18 0.948 -8.368 -1.614
146 HB2 ALA 18 2HB ALA 18 2.296 -9.320 -0.946
147 HB3 ALA 18 3HB ALA 18 0.779 -9.160 -0.029
148 H GLN 19 H GLN 19 -0.273 -7.718 1.145
149 HA GLN 19 HA GLN 19 -1.663 -5.370 0.337
150 HB2 GLN 19 2HB GLN 19 -2.123 -7.318 2.633
151 HB3 GLN 19 1HB GLN 19 -3.237 -6.025 2.198
152 HG2 GLN 19 2HG GLN 19 -3.447 -6.991 -0.089
153 HG3 GLN 19 1HG GLN 19 -2.363 -8.308 0.385
154 HE21 GLN 19 2HE2 GLN 19 -5.568 -6.939 0.645
155 HE22 GLN 19 1HE2 GLN 19 -6.302 -8.296 1.542
156 H ALA 20 H ALA 20 0.111 -5.885 3.446
157 HA ALA 20 HA ALA 20 -0.486 -3.297 4.414
158 HB1 ALA 20 1HB ALA 20 1.290 -3.711 6.010
159 HB2 ALA 20 2HB ALA 20 0.127 -5.052 5.878
160 HB3 ALA 20 3HB ALA 20 1.731 -5.187 5.119
161 H LEU 21 H LEU 21 1.800 -4.194 1.858
162 HA LEU 21 HA LEU 21 3.041 -1.573 1.895
163 HB2 LEU 21 2HB LEU 21 3.835 -3.959 1.069
164 HB3 LEU 21 1HB LEU 21 3.017 -3.435 -0.437
165 HG LEU 21 HG LEU 21 5.131 -1.679 0.876
166 HD11 LEU 21 1HD1 LEU 21 6.720 -2.833 -0.615
167 HD12 LEU 21 2HD1 LEU 21 6.011 -3.995 0.532
168 HD13 LEU 21 3HD1 LEU 21 5.434 -3.941 -1.151
169 HD21 LEU 21 3HD2 LEU 21 3.735 -0.668 -0.867
170 HD22 LEU 21 1HD2 LEU 21 5.436 -0.855 -1.354
171 HD23 LEU 21 2HD2 LEU 21 4.203 -1.976 -1.980
172 H GLY 22 H GLY 22 0.740 -3.303 -0.429
173 HA2 GLY 22 2HA GLY 22 0.074 -1.123 -2.074
174 HA3 GLY 22 1HA GLY 22 -0.999 -2.437 -1.724
175 H GLY 23 H GLY 23 -1.678 -2.166 0.922
176 HA2 GLY 23 2HA GLY 23 -3.526 0.003 1.027
177 HA3 GLY 23 1HA GLY 23 -3.022 -1.021 2.357
178 H HIS 24 H HIS 24 -0.148 -0.373 2.383
179 HA HIS 24 HA HIS 24 -0.355 1.992 3.926
180 HB2 HIS 24 2HB HIS 24 1.124 0.372 4.639
181 HB3 HIS 24 1HB HIS 24 1.938 0.289 3.045
182 HD1 HIS 24 1HD HIS 24 2.422 1.521 6.260
183 HD2 HIS 24 2HD HIS 24 3.130 3.046 2.452
184 HE1 HIS 24 1HE HIS 24 4.207 3.426 6.551
185 H MET 25 H MET 25 1.040 1.270 0.657
186 HA MET 25 HA MET 25 1.835 3.820 -0.174
187 HB2 MET 25 2HB MET 25 1.737 1.233 -1.243
188 HB3 MET 25 1HB MET 25 0.574 2.058 -2.220
189 HG2 MET 25 2HG MET 25 3.229 3.306 -1.721
190 HG3 MET 25 1HG MET 25 3.004 1.974 -2.905
191 HE1 MET 25 3HE MET 25 2.556 2.293 -5.200
192 HE2 MET 25 1HE MET 25 2.728 3.911 -5.920
193 HE3 MET 25 2HE MET 25 3.971 3.296 -4.804
194 H ASN 26 H ASN 26 -1.431 2.301 -0.564
195 HA ASN 26 HA ASN 26 -2.661 4.584 -1.669
196 HB2 ASN 26 2HB ASN 26 -3.464 2.057 -1.516
197 HB3 ASN 26 1HB ASN 26 -4.089 2.489 0.056
198 HD21 ASN 26 2HD2 ASN 26 -6.175 2.018 -0.638
199 HD22 ASN 26 1HD2 ASN 26 -7.069 3.150 -1.688
200 H VAL 27 H VAL 27 -2.329 3.747 1.838
201 HA VAL 27 HA VAL 27 -3.750 5.940 2.793
202 HB VAL 27 HB VAL 27 -2.900 3.935 3.985
203 HG11 VAL 27 1HG1 VAL 27 -1.115 4.381 5.591
204 HG12 VAL 27 2HG1 VAL 27 -0.483 4.316 3.929
205 HG13 VAL 27 3HG1 VAL 27 -0.705 5.887 4.736
206 HG21 VAL 27 3HG2 VAL 27 -4.501 5.497 4.779
207 HG22 VAL 27 1HG2 VAL 27 -3.338 5.113 6.070
208 HG23 VAL 27 2HG2 VAL 27 -3.225 6.662 5.201
209 H HIS 28 H HIS 28 -0.572 6.061 1.178
210 HA HIS 28 HA HIS 28 0.480 8.350 2.182
211 HB2 HIS 28 2HB HIS 28 0.515 7.239 -0.588
212 HB3 HIS 28 1HB HIS 28 1.446 8.685 -0.087
213 HD1 HIS 28 1HD HIS 28 2.052 7.456 2.757
214 HD2 HIS 28 2HD HIS 28 2.827 5.695 -0.935
215 HE1 HIS 28 1HE HIS 28 3.999 5.741 3.155
216 H ARG 29 H ARG 29 -2.259 8.018 -0.110
217 HA ARG 29 HA ARG 29 -3.354 10.567 0.537
218 HB2 ARG 29 2HB ARG 29 -1.363 11.045 -1.069
219 HB3 ARG 29 1HB ARG 29 -2.391 10.277 -2.323
220 HG2 ARG 29 2HG ARG 29 -3.682 12.470 -0.781
221 HG3 ARG 29 1HG ARG 29 -2.350 12.962 -1.822
222 HD2 ARG 29 2HD ARG 29 -3.524 11.473 -3.609
223 HD3 ARG 29 1HD ARG 29 -4.947 11.658 -2.540
224 HE ARG 29 HE ARG 29 -3.898 14.195 -2.769
225 HH11 ARG 29 2HH2 ARG 29 -4.930 11.868 -5.239
226 HH12 ARG 29 1HH2 ARG 29 -5.451 13.156 -6.359
227 HH21 ARG 29 2HH1 ARG 29 -4.527 15.797 -4.248
228 HH22 ARG 29 1HH1 ARG 29 -5.228 15.312 -5.815
229 H ARG 30 H ARG 30 -5.416 10.096 0.496
230 HA ARG 30 HA ARG 30 -7.464 9.310 0.048
231 HB2 ARG 30 2HB ARG 30 -6.413 10.234 -2.409
232 HB3 ARG 30 1HB ARG 30 -6.878 8.629 -2.843
233 HG2 ARG 30 2HG ARG 30 -9.094 8.979 -2.350
234 HG3 ARG 30 1HG ARG 30 -8.731 10.483 -1.427
235 HD2 ARG 30 2HD ARG 30 -7.502 10.903 -3.948
236 HD3 ARG 30 1HD ARG 30 -9.020 10.133 -4.380
237 HE ARG 30 HE ARG 30 -10.003 12.084 -3.993
238 HH11 ARG 30 2HH2 ARG 30 -7.060 12.233 -1.997
239 HH12 ARG 30 1HH2 ARG 30 -7.511 13.824 -1.326
240 HH21 ARG 30 2HH1 ARG 30 -10.485 14.104 -3.145
241 HH22 ARG 30 1HH1 ARG 30 -9.381 14.848 -1.957
242 H ASP 31 H ASP 31 -7.018 7.638 1.505
243 HA ASP 31 HA ASP 31 -6.604 4.904 0.506
244 HB2 ASP 31 2HB ASP 31 -5.732 5.806 2.738
245 HB3 ASP 31 1HB ASP 31 -7.365 5.748 3.316
246 H ARG 32 H ARG 32 -9.369 6.693 2.035
247 HA ARG 32 HA ARG 32 -11.264 4.755 0.805
248 HB2 ARG 32 2HB ARG 32 -11.266 5.922 3.619
249 HB3 ARG 32 1HB ARG 32 -12.725 5.319 2.847
250 HG2 ARG 32 2HG ARG 32 -11.555 3.078 2.527
251 HG3 ARG 32 1HG ARG 32 -10.202 3.696 3.438
252 HD2 ARG 32 2HD ARG 32 -13.021 3.650 4.602
253 HD3 ARG 32 1HD ARG 32 -11.905 2.331 4.768
254 HE ARG 32 HE ARG 32 -11.920 4.786 6.165
255 HH11 ARG 32 2HH2 ARG 32 -9.622 2.319 5.025
256 HH12 ARG 32 1HH2 ARG 32 -8.523 2.594 6.403
257 HH21 ARG 32 2HH1 ARG 32 -10.474 5.096 7.879
258 HH22 ARG 32 1HH1 ARG 32 -8.987 4.113 7.961
259 H ALA 33 H ALA 33 -12.938 5.530 -0.172
260 HA ALA 33 HA ALA 33 -13.452 8.487 -0.274
261 HB1 ALA 33 1HB ALA 33 -13.744 8.355 -2.649
262 HB2 ALA 33 2HB ALA 33 -12.080 7.942 -2.170
263 HB3 ALA 33 3HB ALA 33 -13.216 6.656 -2.642
264 H ARG 34 H ARG 34 -14.756 5.392 -1.531
265 HA ARG 34 HA ARG 34 -17.248 5.439 -0.147
266 HB2 ARG 34 2HB ARG 34 -17.741 7.345 -1.757
267 HB3 ARG 34 1HB ARG 34 -17.408 6.273 -3.096
268 HG2 ARG 34 2HG ARG 34 -19.308 5.013 -1.302
269 HG3 ARG 34 1HG ARG 34 -19.851 6.629 -1.760
270 HD2 ARG 34 2HD ARG 34 -19.887 6.124 -4.033
271 HD3 ARG 34 1HD ARG 34 -18.755 4.756 -3.849
272 HE ARG 34 HE ARG 34 -20.481 3.422 -3.006
273 HH11 ARG 34 2HH2 ARG 34 -21.775 6.669 -3.632
274 HH12 ARG 34 1HH2 ARG 34 -23.464 6.095 -3.618
275 HH21 ARG 34 2HH1 ARG 34 -22.638 2.749 -2.946
276 HH22 ARG 34 1HH1 ARG 34 -23.940 3.934 -3.237
277 H LEU 35 H LEU 35 -16.349 4.484 -3.491
278 HA LEU 35 HA LEU 35 -16.143 2.453 -4.536
279 HB2 LEU 35 2HB LEU 35 -15.567 1.304 -1.783
280 HB3 LEU 35 1HB LEU 35 -15.314 0.502 -3.313
281 HG LEU 35 HG LEU 35 -14.022 3.143 -3.197
282 HD11 LEU 35 1HD1 LEU 35 -12.279 2.447 -1.633
283 HD12 LEU 35 2HD1 LEU 35 -13.862 2.569 -0.828
284 HD13 LEU 35 3HD1 LEU 35 -13.199 0.972 -1.251
285 HD21 LEU 35 3HD2 LEU 35 -13.619 1.451 -4.955
286 HD22 LEU 35 1HD2 LEU 35 -12.138 1.803 -4.032
287 HD23 LEU 35 2HD2 LEU 35 -13.049 0.306 -3.717
288 H ARG 36 H ARG 36 -17.303 0.198 -4.692
289 HA ARG 36 HA ARG 36 -19.990 0.279 -4.727
290 HB2 ARG 36 2HB ARG 36 -18.054 -2.003 -4.152
291 HB3 ARG 36 1HB ARG 36 -19.781 -2.318 -4.164
292 HG2 ARG 36 2HG ARG 36 -19.989 -1.723 -6.460
293 HG3 ARG 36 1HG ARG 36 -18.434 -0.901 -6.484
294 HD2 ARG 36 2HD ARG 36 -18.617 -3.874 -5.887
295 HD3 ARG 36 1HD ARG 36 -18.560 -3.259 -7.538
296 HE ARG 36 HE ARG 36 -16.408 -3.472 -5.698
297 HH11 ARG 36 2HH2 ARG 36 -17.513 -1.503 -8.442
298 HH12 ARG 36 1HH2 ARG 36 -15.858 -0.956 -8.825
299 HH21 ARG 36 2HH1 ARG 36 -14.317 -2.761 -6.256
300 HH22 ARG 36 1HH1 ARG 36 -14.115 -1.644 -7.632
301 H LEU 37 H LEU 37 -18.210 -0.576 -1.789
302 HA LEU 37 HA LEU 37 -20.626 -0.058 -0.110
303 HB2 LEU 37 2HB LEU 37 -20.039 -1.799 1.368
304 HB3 LEU 37 1HB LEU 37 -20.422 -2.428 -0.272
305 HG LEU 37 HG LEU 37 -17.529 -2.059 0.534
306 HD11 LEU 37 1HD1 LEU 37 -17.557 -4.333 1.442
307 HD12 LEU 37 2HD1 LEU 37 -18.618 -3.273 2.400
308 HD13 LEU 37 3HD1 LEU 37 -19.323 -4.415 1.231
309 HD21 LEU 37 3HD2 LEU 37 -18.083 -2.641 -1.793
310 HD22 LEU 37 1HD2 LEU 37 -17.218 -3.948 -0.950
311 HD23 LEU 37 2HD2 LEU 37 -18.975 -4.068 -1.212
312 HN1 NH2 38 3HN NH2 38 -18.557 0.437 2.652
313 HN2 NH2 38 2HN NH2 38 -20.163 0.477 2.002
Start of MODEL 12
1 H1 ACE 0 2H1 ACE 0 12.238 -3.932 -2.723
2 H2 ACE 0 3H1 ACE 0 13.566 -4.924 -3.372
3 H3 ACE 0 1H1 ACE 0 12.418 -4.140 -4.482
4 H TRP 1 H TRP 1 13.243 -6.937 -2.849
5 HA TRP 1 HA TRP 1 10.464 -8.020 -2.847
6 HB2 TRP 1 2HB TRP 1 12.749 -8.958 -4.571
7 HB3 TRP 1 1HB TRP 1 11.460 -10.073 -4.015
8 HD1 TRP 1 HD TRP 1 12.258 -8.357 -6.925
9 HE1 TRP 1 1HE TRP 1 10.163 -7.562 -8.373
10 HE3 TRP 1 3HE TRP 1 8.800 -8.506 -3.312
11 HZ2 TRP 1 2HZ TRP 1 7.408 -7.132 -7.831
12 HZ3 TRP 1 3HZ TRP 1 6.488 -8.502 -3.830
13 HH2 TRP 1 HH TRP 1 5.672 -7.654 -6.106
14 HA PRO 2 HA PRO 2 12.657 -9.235 0.977
15 HB2 PRO 2 2HB PRO 2 10.569 -9.056 2.524
16 HB3 PRO 2 1HB PRO 2 11.595 -7.623 2.031
17 HG2 PRO 2 2HG PRO 2 8.840 -8.491 0.936
18 HG3 PRO 2 1HG PRO 2 9.337 -6.857 1.372
19 HD2 PRO 2 1HD PRO 2 9.549 -7.825 -1.255
20 HD3 PRO 2 2HD PRO 2 10.760 -6.639 -0.587
21 HA PRO 3 HA PRO 3 11.401 -13.515 0.764
22 HB2 PRO 3 2HB PRO 3 12.474 -14.466 2.991
23 HB3 PRO 3 1HB PRO 3 13.451 -13.959 1.614
24 HG2 PRO 3 2HG PRO 3 12.834 -12.405 4.172
25 HG3 PRO 3 1HG PRO 3 14.391 -12.614 3.374
26 HD2 PRO 3 1HD PRO 3 12.790 -10.349 2.925
27 HD3 PRO 3 2HD PRO 3 13.820 -11.047 1.592
28 H ARG 4 H ARG 4 11.071 -13.170 4.283
29 HA ARG 4 HA ARG 4 8.262 -14.020 4.030
30 HB2 ARG 4 2HB ARG 4 10.512 -14.343 6.005
31 HB3 ARG 4 1HB ARG 4 8.829 -14.376 6.622
32 HG2 ARG 4 2HG ARG 4 9.793 -16.216 4.400
33 HG3 ARG 4 1HG ARG 4 9.885 -16.654 6.102
34 HD2 ARG 4 2HD ARG 4 7.322 -15.858 6.026
35 HD3 ARG 4 1HD ARG 4 7.526 -16.372 4.326
36 HE ARG 4 HE ARG 4 8.714 -18.319 5.948
37 HH11 ARG 4 2HH2 ARG 4 5.396 -17.221 5.282
38 HH12 ARG 4 1HH2 ARG 4 4.697 -18.782 5.791
39 HH21 ARG 4 2HH1 ARG 4 7.772 -20.265 6.576
40 HH22 ARG 4 1HH1 ARG 4 5.999 -20.449 6.499
41 H SER 5 H SER 5 8.119 -11.605 3.330
42 HA SER 5 HA SER 5 6.684 -10.047 5.211
43 HB2 SER 5 2HB SER 5 8.210 -8.177 5.615
44 HB3 SER 5 1HB SER 5 8.739 -9.634 6.432
45 HG SER 5 HG SER 5 10.556 -8.992 5.528
46 H TYR 6 H TYR 6 5.951 -8.160 4.443
47 HA TYR 6 HA TYR 6 6.703 -7.294 1.645
48 HB2 TYR 6 1HB TYR 6 3.935 -7.723 2.596
49 HB3 TYR 6 2HB TYR 6 4.345 -7.014 1.183
50 HD1 TYR 6 2HD TYR 6 5.381 -8.302 -0.690
51 HD2 TYR 6 1HD TYR 6 3.969 -10.113 2.940
52 HE1 TYR 6 2HE TYR 6 5.589 -10.525 -1.730
53 HE2 TYR 6 1HE TYR 6 4.185 -12.349 1.910
54 HH TYR 6 HH TYR 6 5.477 -13.475 -0.419
55 H THR 7 H THR 7 6.230 -5.197 1.077
56 HA THR 7 HA THR 7 6.340 -3.277 3.321
57 HB THR 7 HB THR 7 7.088 -2.909 0.349
58 HG1 THR 7 1HG THR 7 8.565 -3.882 2.607
59 HG21 THR 7 3HG2 THR 7 7.950 -1.396 2.809
60 HG22 THR 7 1HG2 THR 7 8.472 -1.123 1.130
61 HG23 THR 7 2HG2 THR 7 6.781 -0.824 1.596
62 H CYS 8 H CYS 8 5.085 -1.175 3.073
63 HA CYS 8 HA CYS 8 2.529 -1.732 1.762
64 HB2 CYS 8 2HB CYS 8 3.089 -0.912 4.320
65 HB3 CYS 8 1HB CYS 8 2.658 0.606 3.507
66 H SER 9 H SER 9 5.443 -0.147 1.181
67 HA SER 9 HA SER 9 6.297 1.481 -0.172
68 HB2 SER 9 2HB SER 9 5.355 2.336 -2.005
69 HB3 SER 9 1HB SER 9 4.589 0.792 -1.869
70 HG SER 9 HG SER 9 2.773 1.769 -1.893
71 H PHE 10 H PHE 10 3.137 2.712 0.979
72 HA PHE 10 HA PHE 10 3.935 5.293 1.515
73 HB2 PHE 10 1HB PHE 10 1.730 3.650 1.811
74 HB3 PHE 10 2HB PHE 10 1.933 4.338 3.278
75 HD1 PHE 10 1HD PHE 10 1.990 6.919 3.450
76 HD2 PHE 10 2HD PHE 10 0.349 4.561 0.267
77 HE1 PHE 10 1HE PHE 10 0.318 8.694 2.993
78 HE2 PHE 10 2HE PHE 10 -1.316 6.336 -0.201
79 HZ PHE 10 HZ PHE 10 -1.330 8.409 1.159
80 H CYS 11 H CYS 11 3.761 2.580 4.100
81 HA CYS 11 HA CYS 11 5.212 4.462 5.779
82 HB2 CYS 11 2HB CYS 11 4.912 2.776 7.535
83 HB3 CYS 11 1HB CYS 11 3.375 3.275 6.804
84 H LYS 12 H LYS 12 6.367 2.886 3.196
85 HA LYS 12 HA LYS 12 7.704 0.823 2.842
86 HB2 LYS 12 2HB LYS 12 9.886 1.694 2.781
87 HB3 LYS 12 1HB LYS 12 8.733 2.979 2.251
88 HG2 LYS 12 2HG LYS 12 9.998 3.003 5.014
89 HG3 LYS 12 1HG LYS 12 10.778 3.729 3.638
90 HD2 LYS 12 2HD LYS 12 8.363 4.920 3.371
91 HD3 LYS 12 1HD LYS 12 8.326 4.613 5.089
92 HE2 LYS 12 2HE LYS 12 10.545 5.719 5.306
93 HE3 LYS 12 1HE LYS 12 10.467 6.112 3.575
94 HZ1 LYS 12 3HZ LYS 12 8.477 6.885 5.616
95 HZ2 LYS 12 1HZ LYS 12 9.632 7.896 4.930
96 HZ3 LYS 12 2HZ LYS 12 8.403 7.257 3.977
97 H ARG 13 H ARG 13 6.568 0.526 5.494
98 HA ARG 13 HA ARG 13 8.701 -0.928 6.794
99 HB2 ARG 13 2HB ARG 13 6.346 0.489 7.563
100 HB3 ARG 13 1HB ARG 13 5.981 -1.196 7.913
101 HG2 ARG 13 2HG ARG 13 8.695 -0.281 8.806
102 HG3 ARG 13 1HG ARG 13 7.345 0.425 9.647
103 HD2 ARG 13 2HD ARG 13 7.331 -2.547 9.262
104 HD3 ARG 13 1HD ARG 13 8.434 -1.833 10.439
105 HE ARG 13 HE ARG 13 5.549 -1.972 10.567
106 HH11 ARG 13 2HH2 ARG 13 8.392 -0.299 11.902
107 HH12 ARG 13 1HH2 ARG 13 7.524 0.162 13.391
108 HH21 ARG 13 2HH1 ARG 13 4.501 -1.342 12.496
109 HH22 ARG 13 1HH1 ARG 13 5.409 -0.405 13.714
110 H GLU 14 H GLU 14 8.729 -3.064 7.254
111 HA GLU 14 HA GLU 14 7.354 -4.847 5.310
112 HB2 GLU 14 2HB GLU 14 9.923 -5.105 6.892
113 HB3 GLU 14 1HB GLU 14 9.205 -6.414 5.956
114 HG2 GLU 14 2HG GLU 14 9.854 -5.506 3.965
115 HG3 GLU 14 1HG GLU 14 9.453 -3.860 4.461
116 H PHE 15 H PHE 15 5.828 -6.053 5.898
117 HA PHE 15 HA PHE 15 5.363 -6.790 8.749
118 HB2 PHE 15 1HB PHE 15 3.394 -6.454 6.580
119 HB3 PHE 15 2HB PHE 15 3.076 -6.679 8.165
120 HD1 PHE 15 2HD PHE 15 4.461 -4.219 5.805
121 HD2 PHE 15 1HD PHE 15 2.488 -4.946 9.553
122 HE1 PHE 15 2HE PHE 15 3.972 -1.815 6.009
123 HE2 PHE 15 1HE PHE 15 1.984 -2.526 9.749
124 HZ PHE 15 HZ PHE 15 2.752 -0.954 7.985
125 H ARG 16 H ARG 16 4.221 -8.812 9.090
126 HA ARG 16 HA ARG 16 4.701 -10.923 7.033
127 HB2 ARG 16 2HB ARG 16 4.774 -12.450 8.967
128 HB3 ARG 16 1HB ARG 16 6.042 -11.182 9.057
129 HG2 ARG 16 2HG ARG 16 3.467 -10.722 10.550
130 HG3 ARG 16 1HG ARG 16 4.615 -11.879 11.213
131 HD2 ARG 16 2HD ARG 16 6.223 -10.253 11.632
132 HD3 ARG 16 1HD ARG 16 5.674 -9.205 10.326
133 HE ARG 16 HE ARG 16 3.635 -9.430 12.282
134 HH11 ARG 16 2HH2 ARG 16 6.988 -8.398 12.397
135 HH12 ARG 16 1HH2 ARG 16 6.628 -6.950 13.376
136 HH21 ARG 16 2HH1 ARG 16 3.193 -7.570 13.574
137 HH22 ARG 16 1HH1 ARG 16 4.547 -6.499 14.023
138 H SER 17 H SER 17 2.609 -9.932 6.111
139 HA SER 17 HA SER 17 0.448 -11.867 6.670
140 HB2 SER 17 2HB SER 17 0.050 -8.958 7.363
141 HB3 SER 17 1HB SER 17 -1.248 -10.113 7.062
142 HG SER 17 HG SER 17 0.694 -11.055 8.848
143 H ALA 18 H ALA 18 -1.230 -11.877 5.135
144 HA ALA 18 HA ALA 18 -0.731 -10.234 2.730
145 HB1 ALA 18 1HB ALA 18 -1.896 -12.067 1.554
146 HB2 ALA 18 2HB ALA 18 -0.457 -12.620 2.444
147 HB3 ALA 18 3HB ALA 18 -2.082 -12.920 3.105
148 H GLN 19 H GLN 19 -2.663 -9.846 5.263
149 HA GLN 19 HA GLN 19 -4.971 -8.804 3.706
150 HB2 GLN 19 2HB GLN 19 -5.002 -10.734 6.037
151 HB3 GLN 19 1HB GLN 19 -6.287 -9.535 5.900
152 HG2 GLN 19 2HG GLN 19 -7.109 -10.445 3.907
153 HG3 GLN 19 1HG GLN 19 -5.564 -11.187 3.479
154 HE21 GLN 19 2HE2 GLN 19 -8.288 -11.364 5.816
155 HE22 GLN 19 1HE2 GLN 19 -8.115 -13.113 6.122
156 H ALA 20 H ALA 20 -3.727 -8.792 7.110
157 HA ALA 20 HA ALA 20 -4.253 -6.314 7.963
158 HB1 ALA 20 1HB ALA 20 -2.199 -6.324 9.187
159 HB2 ALA 20 2HB ALA 20 -2.973 -7.926 9.212
160 HB3 ALA 20 3HB ALA 20 -1.564 -7.635 8.164
161 H LEU 21 H LEU 21 -1.525 -6.903 5.622
162 HA LEU 21 HA LEU 21 -0.774 -4.220 5.375
163 HB2 LEU 21 2HB LEU 21 -0.355 -6.573 3.531
164 HB3 LEU 21 1HB LEU 21 0.191 -4.967 3.115
165 HG LEU 21 HG LEU 21 1.216 -5.060 5.569
166 HD11 LEU 21 1HD1 LEU 21 2.008 -7.301 6.089
167 HD12 LEU 21 2HD1 LEU 21 0.233 -7.185 6.157
168 HD13 LEU 21 3HD1 LEU 21 1.022 -7.961 4.763
169 HD21 LEU 21 3HD2 LEU 21 2.422 -4.709 3.437
170 HD22 LEU 21 1HD2 LEU 21 3.292 -5.853 4.487
171 HD23 LEU 21 2HD2 LEU 21 2.345 -6.456 3.106
172 H GLY 22 H GLY 22 -2.996 -6.093 3.101
173 HA2 GLY 22 2HA GLY 22 -3.501 -4.042 1.277
174 HA3 GLY 22 1HA GLY 22 -4.620 -5.335 1.694
175 H GLY 23 H GLY 23 -5.372 -4.906 4.264
176 HA2 GLY 23 2HA GLY 23 -7.126 -2.660 4.322
177 HA3 GLY 23 1HA GLY 23 -6.645 -3.624 5.691
178 H HIS 24 H HIS 24 -3.788 -3.071 5.681
179 HA HIS 24 HA HIS 24 -3.920 -0.710 7.205
180 HB2 HIS 24 2HB HIS 24 -2.488 -2.313 7.958
181 HB3 HIS 24 1HB HIS 24 -1.719 -2.527 6.353
182 HD1 HIS 24 1HD HIS 24 -1.000 -1.256 9.475
183 HD2 HIS 24 2HD HIS 24 -0.452 0.200 5.614
184 HE1 HIS 24 1HE HIS 24 0.888 0.560 9.637
185 H MET 25 H MET 25 -2.601 -1.439 3.921
186 HA MET 25 HA MET 25 -1.690 1.124 3.168
187 HB2 MET 25 2HB MET 25 -1.528 -1.290 2.079
188 HB3 MET 25 1HB MET 25 -2.947 -0.740 1.198
189 HG2 MET 25 2HG MET 25 -1.742 1.084 0.187
190 HG3 MET 25 1HG MET 25 -0.459 1.021 1.354
191 HE1 MET 25 3HE MET 25 -1.795 -0.146 -1.999
192 HE2 MET 25 1HE MET 25 -0.978 -1.699 -2.293
193 HE3 MET 25 2HE MET 25 -2.257 -1.586 -1.061
194 H ASN 26 H ASN 26 -5.000 -0.305 2.835
195 HA ASN 26 HA ASN 26 -6.180 1.954 1.589
196 HB2 ASN 26 2HB ASN 26 -7.121 -0.462 1.904
197 HB3 ASN 26 1HB ASN 26 -7.598 0.059 3.515
198 HD21 ASN 26 2HD2 ASN 26 -8.174 0.322 0.083
199 HD22 ASN 26 1HD2 ASN 26 -9.679 1.272 0.203
200 H VAL 27 H VAL 27 -5.827 1.231 5.110
201 HA VAL 27 HA VAL 27 -7.128 3.494 6.064
202 HB VAL 27 HB VAL 27 -6.368 1.387 7.207
203 HG11 VAL 27 1HG1 VAL 27 -4.595 1.720 8.854
204 HG12 VAL 27 2HG1 VAL 27 -3.938 1.693 7.201
205 HG13 VAL 27 3HG1 VAL 27 -4.125 3.241 8.059
206 HG21 VAL 27 3HG2 VAL 27 -7.936 2.958 8.029
207 HG22 VAL 27 1HG2 VAL 27 -6.805 2.499 9.323
208 HG23 VAL 27 2HG2 VAL 27 -6.638 4.075 8.513
209 H HIS 28 H HIS 28 -3.954 3.452 4.481
210 HA HIS 28 HA HIS 28 -2.780 5.692 5.520
211 HB2 HIS 28 2HB HIS 28 -2.770 4.571 2.749
212 HB3 HIS 28 1HB HIS 28 -1.752 5.947 3.278
213 HD1 HIS 28 1HD HIS 28 -1.320 4.625 6.130
214 HD2 HIS 28 2HD HIS 28 -0.518 2.917 2.419
215 HE1 HIS 28 1HE HIS 28 0.509 2.786 6.546
216 H ARG 29 H ARG 29 -4.274 5.960 2.282
217 HA ARG 29 HA ARG 29 -6.374 7.679 2.615
218 HB2 ARG 29 2HB ARG 29 -3.844 9.171 2.845
219 HB3 ARG 29 1HB ARG 29 -4.993 9.786 1.607
220 HG2 ARG 29 2HG ARG 29 -5.846 9.288 4.444
221 HG3 ARG 29 1HG ARG 29 -5.038 10.811 3.951
222 HD2 ARG 29 2HD ARG 29 -7.136 11.522 3.634
223 HD3 ARG 29 1HD ARG 29 -6.990 10.637 2.081
224 HE ARG 29 HE ARG 29 -8.655 9.310 2.757
225 HH11 ARG 29 2HH2 ARG 29 -7.179 10.427 5.798
226 HH12 ARG 29 1HH2 ARG 29 -8.510 9.750 6.775
227 HH21 ARG 29 2HH1 ARG 29 -10.264 8.417 4.063
228 HH22 ARG 29 1HH1 ARG 29 -10.188 8.653 5.830
229 H ARG 30 H ARG 30 -6.992 6.327 0.822
230 HA ARG 30 HA ARG 30 -5.742 6.798 -1.815
231 HB2 ARG 30 2HB ARG 30 -8.087 5.179 -0.844
232 HB3 ARG 30 1HB ARG 30 -8.039 5.689 -2.508
233 HG2 ARG 30 2HG ARG 30 -5.648 4.763 -2.522
234 HG3 ARG 30 1HG ARG 30 -6.164 3.928 -1.015
235 HD2 ARG 30 2HD ARG 30 -8.222 3.087 -2.290
236 HD3 ARG 30 1HD ARG 30 -7.554 3.773 -3.763
237 HE ARG 30 HE ARG 30 -5.595 2.125 -2.670
238 HH11 ARG 30 2HH2 ARG 30 -8.516 2.027 -4.636
239 HH12 ARG 30 1HH2 ARG 30 -8.315 0.300 -5.039
240 HH21 ARG 30 2HH1 ARG 30 -5.336 -0.076 -3.237
241 HH22 ARG 30 1HH1 ARG 30 -6.563 -0.854 -4.273
242 H ASP 31 H ASP 31 -5.577 9.033 -1.746
243 HA ASP 31 HA ASP 31 -8.108 10.445 -2.414
244 HB2 ASP 31 2HB ASP 31 -5.344 11.495 -1.724
245 HB3 ASP 31 1HB ASP 31 -6.624 12.501 -2.327
246 H ARG 32 H ARG 32 -8.563 9.597 -4.449
247 HA ARG 32 HA ARG 32 -6.606 10.182 -6.637
248 HB2 ARG 32 2HB ARG 32 -7.900 8.794 -8.013
249 HB3 ARG 32 1HB ARG 32 -7.585 7.901 -6.478
250 HG2 ARG 32 2HG ARG 32 -9.792 7.298 -6.915
251 HG3 ARG 32 1HG ARG 32 -10.054 8.700 -5.904
252 HD2 ARG 32 2HD ARG 32 -10.563 10.093 -7.793
253 HD3 ARG 32 1HD ARG 32 -9.965 8.894 -8.935
254 HE ARG 32 HE ARG 32 -11.936 7.840 -8.838
255 HH11 ARG 32 2HH2 ARG 32 -11.989 10.144 -6.144
256 HH12 ARG 32 1HH2 ARG 32 -13.628 9.645 -5.645
257 HH21 ARG 32 2HH1 ARG 32 -14.026 7.294 -8.212
258 HH22 ARG 32 1HH1 ARG 32 -14.748 8.083 -6.784
259 H ALA 33 H ALA 33 -6.873 11.369 -8.269
260 HA ALA 33 HA ALA 33 -8.975 13.454 -8.060
261 HB1 ALA 33 1HB ALA 33 -7.300 14.906 -9.194
262 HB2 ALA 33 2HB ALA 33 -6.684 14.284 -7.644
263 HB3 ALA 33 3HB ALA 33 -6.135 13.561 -9.175
264 H ARG 34 H ARG 34 -9.321 14.454 -10.368
265 HA ARG 34 HA ARG 34 -9.986 12.520 -12.290
266 HB2 ARG 34 2HB ARG 34 -10.697 15.120 -11.802
267 HB3 ARG 34 1HB ARG 34 -9.458 15.466 -12.982
268 HG2 ARG 34 2HG ARG 34 -10.918 13.440 -14.178
269 HG3 ARG 34 1HG ARG 34 -12.134 14.446 -13.334
270 HD2 ARG 34 2HD ARG 34 -10.617 16.436 -14.353
271 HD3 ARG 34 1HD ARG 34 -10.236 15.201 -15.561
272 HE ARG 34 HE ARG 34 -12.995 15.154 -15.247
273 HH11 ARG 34 2HH2 ARG 34 -10.525 17.355 -16.535
274 HH12 ARG 34 1HH2 ARG 34 -11.712 18.254 -17.519
275 HH21 ARG 34 2HH1 ARG 34 -14.473 16.352 -16.500
276 HH22 ARG 34 1HH1 ARG 34 -13.874 17.703 -17.500
277 H LEU 35 H LEU 35 -8.641 14.368 -14.515
278 HA LEU 35 HA LEU 35 -6.954 14.107 -16.065
279 HB2 LEU 35 2HB LEU 35 -5.420 13.805 -13.636
280 HB3 LEU 35 1HB LEU 35 -4.838 12.732 -14.874
281 HG LEU 35 HG LEU 35 -5.231 15.025 -16.318
282 HD11 LEU 35 1HD1 LEU 35 -4.315 16.857 -15.022
283 HD12 LEU 35 2HD1 LEU 35 -5.887 16.310 -14.392
284 HD13 LEU 35 3HD1 LEU 35 -4.385 15.860 -13.550
285 HD21 LEU 35 3HD2 LEU 35 -3.261 13.523 -16.319
286 HD22 LEU 35 1HD2 LEU 35 -2.776 15.226 -16.135
287 HD23 LEU 35 2HD2 LEU 35 -2.787 14.147 -14.720
288 H ARG 36 H ARG 36 -7.359 12.786 -17.627
289 HA ARG 36 HA ARG 36 -7.221 9.852 -17.128
290 HB2 ARG 36 2HB ARG 36 -9.327 11.340 -18.096
291 HB3 ARG 36 1HB ARG 36 -8.505 10.859 -19.604
292 HG2 ARG 36 2HG ARG 36 -8.629 8.474 -18.955
293 HG3 ARG 36 1HG ARG 36 -9.261 8.885 -17.374
294 HD2 ARG 36 2HD ARG 36 -11.231 9.950 -18.561
295 HD3 ARG 36 1HD ARG 36 -10.611 9.175 -20.049
296 HE ARG 36 HE ARG 36 -11.811 7.885 -17.722
297 HH11 ARG 36 2HH2 ARG 36 -9.866 7.252 -20.636
298 HH12 ARG 36 1HH2 ARG 36 -10.207 5.502 -20.569
299 HH21 ARG 36 2HH1 ARG 36 -12.206 5.677 -17.697
300 HH22 ARG 36 1HH1 ARG 36 -11.489 4.639 -18.959
301 H LEU 37 H LEU 37 -6.574 12.140 -19.846
302 HA LEU 37 HA LEU 37 -4.768 10.494 -21.200
303 HB2 LEU 37 2HB LEU 37 -5.120 13.525 -21.096
304 HB3 LEU 37 1HB LEU 37 -4.045 12.728 -22.230
305 HG LEU 37 HG LEU 37 -6.771 11.583 -22.160
306 HD11 LEU 37 1HD1 LEU 37 -7.760 13.456 -23.396
307 HD12 LEU 37 2HD1 LEU 37 -7.308 13.941 -21.745
308 HD13 LEU 37 3HD1 LEU 37 -6.290 14.422 -23.123
309 HD21 LEU 37 3HD2 LEU 37 -5.041 10.957 -23.816
310 HD22 LEU 37 1HD2 LEU 37 -6.444 11.723 -24.599
311 HD23 LEU 37 2HD2 LEU 37 -4.945 12.651 -24.353
312 HN1 NH2 38 3HN NH2 38 -3.139 9.799 -18.925
313 HN2 NH2 38 2HN NH2 38 -3.355 9.674 -20.640
Start of MODEL 13
1 H1 ACE 0 2H1 ACE 0 11.058 -12.323 -13.935
2 H2 ACE 0 3H1 ACE 0 10.075 -10.890 -14.317
3 H3 ACE 0 1H1 ACE 0 11.665 -10.697 -13.544
4 H TRP 1 H TRP 1 10.502 -9.429 -11.982
5 HA TRP 1 HA TRP 1 9.507 -9.179 -9.885
6 HB2 TRP 1 2HB TRP 1 8.066 -11.748 -10.582
7 HB3 TRP 1 1HB TRP 1 7.645 -10.588 -9.284
8 HD1 TRP 1 HD TRP 1 8.324 -9.990 -12.997
9 HE1 TRP 1 1HE TRP 1 6.333 -8.533 -14.010
10 HE3 TRP 1 3HE TRP 1 5.637 -9.447 -8.808
11 HZ2 TRP 1 2HZ TRP 1 3.962 -7.383 -12.953
12 HZ3 TRP 1 3HZ TRP 1 3.378 -8.749 -8.888
13 HH2 TRP 1 HH TRP 1 2.469 -7.529 -10.949
14 HA PRO 2 HA PRO 2 12.340 -11.480 -7.296
15 HB2 PRO 2 2HB PRO 2 11.451 -10.633 -4.888
16 HB3 PRO 2 1HB PRO 2 12.372 -9.577 -5.959
17 HG2 PRO 2 2HG PRO 2 9.335 -9.728 -5.613
18 HG3 PRO 2 1HG PRO 2 10.355 -8.295 -5.595
19 HD2 PRO 2 1HD PRO 2 9.101 -9.094 -7.952
20 HD3 PRO 2 2HD PRO 2 10.818 -8.474 -8.026
21 HA PRO 3 HA PRO 3 10.399 -15.237 -6.171
22 HB2 PRO 3 2HB PRO 3 11.757 -16.034 -3.910
23 HB3 PRO 3 1HB PRO 3 12.450 -16.126 -5.529
24 HG2 PRO 3 2HG PRO 3 12.809 -13.915 -3.443
25 HG3 PRO 3 1HG PRO 3 14.053 -14.724 -4.390
26 HD2 PRO 3 1HD PRO 3 12.981 -12.291 -5.242
27 HD3 PRO 3 2HD PRO 3 13.341 -13.591 -6.476
28 H ARG 4 H ARG 4 10.584 -12.754 -3.658
29 HA ARG 4 HA ARG 4 7.911 -13.042 -2.727
30 HB2 ARG 4 2HB ARG 4 8.313 -13.744 -0.486
31 HB3 ARG 4 1HB ARG 4 8.982 -15.005 -1.571
32 HG2 ARG 4 2HG ARG 4 11.281 -14.058 -1.158
33 HG3 ARG 4 1HG ARG 4 10.592 -12.915 -0.021
34 HD2 ARG 4 2HD ARG 4 11.374 -14.650 1.298
35 HD3 ARG 4 1HD ARG 4 9.619 -14.962 1.186
36 HE ARG 4 HE ARG 4 10.943 -16.250 -0.959
37 HH11 ARG 4 2HH2 ARG 4 10.119 -16.745 2.442
38 HH12 ARG 4 1HH2 ARG 4 10.579 -18.468 2.397
39 HH21 ARG 4 2HH1 ARG 4 11.459 -18.445 -0.998
40 HH22 ARG 4 1HH1 ARG 4 11.314 -19.407 0.497
41 H SER 5 H SER 5 7.659 -11.474 -0.836
42 HA SER 5 HA SER 5 7.835 -9.345 0.066
43 HB2 SER 5 2HB SER 5 9.908 -10.284 1.039
44 HB3 SER 5 1HB SER 5 10.804 -9.609 -0.311
45 HG SER 5 HG SER 5 10.691 -8.275 1.608
46 H TYR 6 H TYR 6 7.801 -7.314 -0.367
47 HA TYR 6 HA TYR 6 8.914 -6.117 -2.849
48 HB2 TYR 6 2HB TYR 6 6.114 -7.040 -2.693
49 HB3 TYR 6 1HB TYR 6 6.346 -5.336 -3.198
50 HD1 TYR 6 1HD TYR 6 8.653 -5.303 -4.884
51 HD2 TYR 6 2HD TYR 6 5.651 -8.343 -4.494
52 HE1 TYR 6 1HE TYR 6 8.815 -5.772 -7.310
53 HE2 TYR 6 2HE TYR 6 5.905 -8.916 -6.859
54 HH TYR 6 HH TYR 6 7.972 -8.314 -8.934
55 H THR 7 H THR 7 8.152 -3.934 -3.214
56 HA THR 7 HA THR 7 8.594 -2.471 -0.693
57 HB THR 7 HB THR 7 9.273 -1.441 -3.492
58 HG1 THR 7 1HG THR 7 10.873 -3.365 -2.047
59 HG21 THR 7 3HG2 THR 7 10.715 -1.286 -0.823
60 HG22 THR 7 1HG2 THR 7 11.191 -0.463 -2.328
61 HG23 THR 7 2HG2 THR 7 9.671 -0.021 -1.515
62 H CYS 8 H CYS 8 7.554 -0.211 -0.639
63 HA CYS 8 HA CYS 8 5.000 -0.302 -2.060
64 HB2 CYS 8 2HB CYS 8 5.576 0.170 0.584
65 HB3 CYS 8 1HB CYS 8 5.344 1.804 -0.067
66 H SER 9 H SER 9 8.116 1.038 -2.356
67 HA SER 9 HA SER 9 9.154 2.726 -3.497
68 HB2 SER 9 2HB SER 9 8.458 3.834 -5.178
69 HB3 SER 9 1HB SER 9 7.547 2.293 -5.253
70 HG SER 9 HG SER 9 5.750 3.397 -5.260
71 H PHE 10 H PHE 10 6.028 4.176 -2.415
72 HA PHE 10 HA PHE 10 7.022 6.593 -1.451
73 HB2 PHE 10 1HB PHE 10 4.701 4.960 -0.873
74 HB3 PHE 10 2HB PHE 10 5.032 6.194 0.143
75 HD1 PHE 10 1HD PHE 10 4.688 5.694 -3.515
76 HD2 PHE 10 2HD PHE 10 3.721 7.987 -0.020
77 HE1 PHE 10 1HE PHE 10 3.174 7.119 -4.862
78 HE2 PHE 10 2HE PHE 10 2.171 9.383 -1.353
79 HZ PHE 10 HZ PHE 10 1.934 8.981 -3.789
80 H CYS 11 H CYS 11 6.856 3.460 0.524
81 HA CYS 11 HA CYS 11 8.305 5.071 2.518
82 HB2 CYS 11 2HB CYS 11 7.544 3.508 4.197
83 HB3 CYS 11 1HB CYS 11 6.160 4.201 3.331
84 H LYS 12 H LYS 12 9.358 3.520 -0.057
85 HA LYS 12 HA LYS 12 10.205 1.210 -0.477
86 HB2 LYS 12 2HB LYS 12 12.539 1.668 -0.397
87 HB3 LYS 12 1HB LYS 12 11.675 3.184 -0.854
88 HG2 LYS 12 2HG LYS 12 12.700 2.666 1.922
89 HG3 LYS 12 1HG LYS 12 13.705 3.390 0.627
90 HD2 LYS 12 2HD LYS 12 11.788 5.163 0.435
91 HD3 LYS 12 1HD LYS 12 11.255 4.572 1.993
92 HE2 LYS 12 2HE LYS 12 12.648 6.413 2.431
93 HE3 LYS 12 1HE LYS 12 13.627 4.987 2.831
94 HZ1 LYS 12 3HZ LYS 12 13.715 6.486 0.290
95 HZ2 LYS 12 1HZ LYS 12 14.851 6.567 1.527
96 HZ3 LYS 12 2HZ LYS 12 14.642 5.135 0.670
97 H ARG 13 H ARG 13 8.852 0.877 2.048
98 HA ARG 13 HA ARG 13 10.638 -0.888 3.484
99 HB2 ARG 13 2HB ARG 13 8.818 0.584 4.572
100 HB3 ARG 13 1HB ARG 13 7.619 -0.452 3.845
101 HG2 ARG 13 2HG ARG 13 8.994 -2.400 5.087
102 HG3 ARG 13 1HG ARG 13 9.530 -1.092 6.087
103 HD2 ARG 13 2HD ARG 13 6.627 -1.535 5.493
104 HD3 ARG 13 1HD ARG 13 7.520 -2.362 6.811
105 HE ARG 13 HE ARG 13 6.590 0.373 6.722
106 HH11 ARG 13 2HH2 ARG 13 9.099 -1.637 8.232
107 HH12 ARG 13 1HH2 ARG 13 9.063 -0.687 9.741
108 HH21 ARG 13 2HH1 ARG 13 6.606 1.551 8.662
109 HH22 ARG 13 1HH1 ARG 13 7.707 1.052 9.975
110 H GLU 14 H GLU 14 10.750 -2.985 3.402
111 HA GLU 14 HA GLU 14 9.446 -4.518 1.249
112 HB2 GLU 14 2HB GLU 14 11.572 -5.298 3.247
113 HB3 GLU 14 1HB GLU 14 10.860 -6.385 2.091
114 HG2 GLU 14 2HG GLU 14 12.562 -5.697 0.725
115 HG3 GLU 14 1HG GLU 14 11.628 -4.270 0.441
116 H PHE 15 H PHE 15 7.607 -5.351 1.430
117 HA PHE 15 HA PHE 15 6.534 -6.432 3.997
118 HB2 PHE 15 1HB PHE 15 5.319 -5.276 1.604
119 HB3 PHE 15 2HB PHE 15 4.481 -6.389 2.455
120 HD1 PHE 15 1HD PHE 15 5.862 -3.023 2.534
121 HD2 PHE 15 2HD PHE 15 3.597 -6.011 4.637
122 HE1 PHE 15 1HE PHE 15 4.814 -1.260 3.931
123 HE2 PHE 15 2HE PHE 15 2.739 -4.276 6.184
124 HZ PHE 15 HZ PHE 15 3.554 -1.951 5.974
125 H ARG 16 H ARG 16 5.184 -8.300 3.835
126 HA ARG 16 HA ARG 16 6.454 -10.343 2.124
127 HB2 ARG 16 2HB ARG 16 5.719 -11.889 3.911
128 HB3 ARG 16 1HB ARG 16 6.627 -10.516 4.619
129 HG2 ARG 16 2HG ARG 16 4.488 -9.474 5.295
130 HG3 ARG 16 1HG ARG 16 3.601 -10.850 4.613
131 HD2 ARG 16 2HD ARG 16 5.024 -12.338 6.159
132 HD3 ARG 16 1HD ARG 16 5.513 -10.839 6.973
133 HE ARG 16 HE ARG 16 2.726 -10.794 6.753
134 HH11 ARG 16 2HH2 ARG 16 5.193 -12.587 8.568
135 HH12 ARG 16 1HH2 ARG 16 4.033 -13.062 9.838
136 HH21 ARG 16 2HH1 ARG 16 1.292 -11.428 8.396
137 HH22 ARG 16 1HH1 ARG 16 1.899 -12.426 9.744
138 H SER 17 H SER 17 4.315 -8.681 1.021
139 HA SER 17 HA SER 17 2.750 -10.634 -0.275
140 HB2 SER 17 2HB SER 17 0.483 -10.031 0.687
141 HB3 SER 17 1HB SER 17 1.496 -11.129 1.624
142 HG SER 17 HG SER 17 0.993 -9.730 3.167
143 H ALA 18 H ALA 18 1.811 -9.918 -2.024
144 HA ALA 18 HA ALA 18 2.340 -7.343 -3.012
145 HB1 ALA 18 1HB ALA 18 1.033 -8.084 -4.955
146 HB2 ALA 18 2HB ALA 18 2.210 -9.305 -4.414
147 HB3 ALA 18 3HB ALA 18 0.483 -9.502 -4.031
148 H GLN 19 H GLN 19 -0.866 -8.761 -2.060
149 HA GLN 19 HA GLN 19 -2.348 -6.389 -2.605
150 HB2 GLN 19 2HB GLN 19 -2.942 -9.023 -2.117
151 HB3 GLN 19 1HB GLN 19 -3.377 -8.281 -0.563
152 HG2 GLN 19 2HG GLN 19 -4.801 -6.621 -1.755
153 HG3 GLN 19 1HG GLN 19 -4.363 -7.349 -3.304
154 HE21 GLN 19 2HE2 GLN 19 -4.934 -9.640 -3.665
155 HE22 GLN 19 1HE2 GLN 19 -6.403 -10.274 -2.875
156 H ALA 20 H ALA 20 -0.980 -7.583 0.542
157 HA ALA 20 HA ALA 20 -1.840 -5.499 2.173
158 HB1 ALA 20 1HB ALA 20 0.107 -5.866 3.515
159 HB2 ALA 20 2HB ALA 20 -0.655 -7.401 3.034
160 HB3 ALA 20 3HB ALA 20 0.835 -6.856 2.227
161 H LEU 21 H LEU 21 0.998 -5.477 -0.132
162 HA LEU 21 HA LEU 21 1.669 -2.772 0.364
163 HB2 LEU 21 2HB LEU 21 2.231 -4.685 -1.866
164 HB3 LEU 21 1HB LEU 21 2.772 -2.985 -1.904
165 HG LEU 21 HG LEU 21 3.265 -4.513 0.633
166 HD11 LEU 21 1HD1 LEU 21 5.296 -5.527 -0.317
167 HD12 LEU 21 2HD1 LEU 21 3.837 -6.142 -1.129
168 HD13 LEU 21 3HD1 LEU 21 4.851 -4.918 -1.929
169 HD21 LEU 21 3HD2 LEU 21 3.922 -2.148 0.372
170 HD22 LEU 21 1HD2 LEU 21 5.338 -3.205 0.585
171 HD23 LEU 21 2HD2 LEU 21 4.925 -2.586 -1.031
172 H GLY 22 H GLY 22 -0.323 -4.164 -2.419
173 HA2 GLY 22 2HA GLY 22 -1.041 -1.835 -3.716
174 HA3 GLY 22 1HA GLY 22 -2.129 -3.187 -3.506
175 H GLY 23 H GLY 23 -2.753 -3.217 -0.830
176 HA2 GLY 23 2HA GLY 23 -4.502 -0.968 -0.349
177 HA3 GLY 23 1HA GLY 23 -4.089 -2.207 0.782
178 H HIS 24 H HIS 24 -1.244 -1.793 1.004
179 HA HIS 24 HA HIS 24 -1.406 0.176 3.020
180 HB2 HIS 24 2HB HIS 24 -0.098 -1.650 3.466
181 HB3 HIS 24 1HB HIS 24 0.800 -1.506 1.921
182 HD1 HIS 24 1HD HIS 24 1.255 -1.035 5.312
183 HD2 HIS 24 2HD HIS 24 2.210 1.241 1.960
184 HE1 HIS 24 1HE HIS 24 3.169 0.601 6.057
185 H MET 25 H MET 25 0.085 0.104 -0.267
186 HA MET 25 HA MET 25 1.202 2.672 -0.424
187 HB2 MET 25 2HB MET 25 0.953 0.469 -2.020
188 HB3 MET 25 1HB MET 25 -0.203 1.600 -2.795
189 HG2 MET 25 2HG MET 25 2.683 2.253 -2.196
190 HG3 MET 25 1HG MET 25 2.087 1.607 -3.763
191 HE1 MET 25 3HE MET 25 1.901 3.018 -5.640
192 HE2 MET 25 1HE MET 25 2.282 4.754 -5.556
193 HE3 MET 25 2HE MET 25 3.411 3.561 -4.871
194 H ASN 26 H ASN 26 -2.138 1.574 -1.344
195 HA ASN 26 HA ASN 26 -3.132 4.173 -1.894
196 HB2 ASN 26 2HB ASN 26 -4.137 1.847 -2.518
197 HB3 ASN 26 1HB ASN 26 -4.769 1.800 -0.881
198 HD21 ASN 26 2HD2 ASN 26 -6.821 2.337 -0.783
199 HD22 ASN 26 1HD2 ASN 26 -7.610 3.602 -1.763
200 H VAL 27 H VAL 27 -2.913 2.530 1.310
201 HA VAL 27 HA VAL 27 -4.315 4.565 2.650
202 HB VAL 27 HB VAL 27 -3.733 2.249 3.364
203 HG11 VAL 27 1HG1 VAL 27 -2.112 2.139 5.187
204 HG12 VAL 27 2HG1 VAL 27 -1.305 2.422 3.627
205 HG13 VAL 27 3HG1 VAL 27 -1.518 3.765 4.775
206 HG21 VAL 27 3HG2 VAL 27 -5.320 3.696 4.355
207 HG22 VAL 27 1HG2 VAL 27 -4.336 2.921 5.619
208 HG23 VAL 27 2HG2 VAL 27 -4.040 4.619 5.176
209 H HIS 28 H HIS 28 -1.076 4.776 1.293
210 HA HIS 28 HA HIS 28 0.167 6.604 2.858
211 HB2 HIS 28 2HB HIS 28 0.202 6.186 -0.090
212 HB3 HIS 28 1HB HIS 28 1.223 7.409 0.731
213 HD1 HIS 28 1HD HIS 28 1.659 5.539 3.233
214 HD2 HIS 28 2HD HIS 28 2.403 4.585 -0.750
215 HE1 HIS 28 1HE HIS 28 3.462 3.629 3.261
216 H ARG 29 H ARG 29 -1.312 8.106 3.818
217 HA ARG 29 HA ARG 29 -2.757 9.909 3.987
218 HB2 ARG 29 2HB ARG 29 -0.388 10.906 3.780
219 HB3 ARG 29 1HB ARG 29 -0.753 11.213 2.087
220 HG2 ARG 29 2HG ARG 29 -2.866 12.504 2.951
221 HG3 ARG 29 1HG ARG 29 -2.138 12.431 4.524
222 HD2 ARG 29 2HD ARG 29 -0.660 13.558 2.142
223 HD3 ARG 29 1HD ARG 29 -1.716 14.513 3.181
224 HE ARG 29 HE ARG 29 0.074 13.085 4.804
225 HH11 ARG 29 2HH2 ARG 29 0.337 15.613 2.325
226 HH12 ARG 29 1HH2 ARG 29 1.696 16.413 3.161
227 HH21 ARG 29 2HH1 ARG 29 1.825 14.122 5.809
228 HH22 ARG 29 1HH1 ARG 29 2.513 15.592 5.069
229 H ARG 30 H ARG 30 -4.237 8.404 2.794
230 HA ARG 30 HA ARG 30 -5.466 9.991 0.586
231 HB2 ARG 30 2HB ARG 30 -5.066 6.971 0.793
232 HB3 ARG 30 1HB ARG 30 -6.304 7.679 -0.221
233 HG2 ARG 30 2HG ARG 30 -3.368 8.443 -0.465
234 HG3 ARG 30 1HG ARG 30 -4.117 7.150 -1.384
235 HD2 ARG 30 2HD ARG 30 -5.559 8.650 -2.535
236 HD3 ARG 30 1HD ARG 30 -5.233 9.967 -1.396
237 HE ARG 30 HE ARG 30 -3.260 10.404 -2.441
238 HH11 ARG 30 2HH2 ARG 30 -4.126 7.137 -3.544
239 HH12 ARG 30 1HH2 ARG 30 -2.925 7.187 -4.862
240 HH21 ARG 30 2HH1 ARG 30 -1.756 10.399 -4.096
241 HH22 ARG 30 1HH1 ARG 30 -1.622 8.975 -5.161
242 H ASP 31 H ASP 31 -7.634 9.418 0.136
243 HA ASP 31 HA ASP 31 -9.476 8.754 2.234
244 HB2 ASP 31 2HB ASP 31 -8.650 10.889 3.151
245 HB3 ASP 31 1HB ASP 31 -9.243 11.704 1.668
246 H ARG 32 H ARG 32 -9.009 10.858 -0.660
247 HA ARG 32 HA ARG 32 -10.265 11.250 -2.524
248 HB2 ARG 32 2HB ARG 32 -9.341 8.607 -2.455
249 HB3 ARG 32 1HB ARG 32 -11.057 8.465 -2.918
250 HG2 ARG 32 2HG ARG 32 -10.202 10.639 -4.491
251 HG3 ARG 32 1HG ARG 32 -8.788 9.642 -4.497
252 HD2 ARG 32 2HD ARG 32 -11.524 8.547 -5.246
253 HD3 ARG 32 1HD ARG 32 -10.409 9.229 -6.384
254 HE ARG 32 HE ARG 32 -9.131 7.220 -4.858
255 HH11 ARG 32 2HH2 ARG 32 -11.637 7.590 -7.346
256 HH12 ARG 32 1HH2 ARG 32 -11.246 6.023 -8.102
257 HH21 ARG 32 2HH1 ARG 32 -8.669 5.221 -5.876
258 HH22 ARG 32 1HH1 ARG 32 -9.627 4.729 -7.299
259 H ALA 33 H ALA 33 -11.757 12.501 -1.496
260 HA ALA 33 HA ALA 33 -13.752 13.128 -0.459
261 HB1 ALA 33 1HB ALA 33 -15.649 12.741 -1.817
262 HB2 ALA 33 2HB ALA 33 -14.230 13.240 -2.769
263 HB3 ALA 33 3HB ALA 33 -14.750 11.538 -2.773
264 H ARG 34 H ARG 34 -13.577 12.214 1.577
265 HA ARG 34 HA ARG 34 -13.809 9.745 2.547
266 HB2 ARG 34 2HB ARG 34 -13.545 11.921 3.819
267 HB3 ARG 34 1HB ARG 34 -15.323 12.112 3.722
268 HG2 ARG 34 2HG ARG 34 -14.266 9.549 4.951
269 HG3 ARG 34 1HG ARG 34 -14.155 10.986 5.906
270 HD2 ARG 34 2HD ARG 34 -16.783 10.307 4.618
271 HD3 ARG 34 1HD ARG 34 -16.240 9.476 6.074
272 HE ARG 34 HE ARG 34 -17.128 12.203 5.828
273 HH11 ARG 34 2HH2 ARG 34 -15.537 9.824 7.910
274 HH12 ARG 34 1HH2 ARG 34 -15.663 10.862 9.356
275 HH21 ARG 34 2HH1 ARG 34 -17.247 13.512 7.710
276 HH22 ARG 34 1HH1 ARG 34 -16.599 12.877 9.246
277 H LEU 35 H LEU 35 -16.792 11.535 1.777
278 HA LEU 35 HA LEU 35 -18.928 10.846 1.314
279 HB2 LEU 35 2HB LEU 35 -17.903 9.593 -0.371
280 HB3 LEU 35 1HB LEU 35 -17.539 8.260 0.779
281 HG LEU 35 HG LEU 35 -20.132 8.185 1.066
282 HD11 LEU 35 1HD1 LEU 35 -21.397 8.783 -0.903
283 HD12 LEU 35 2HD1 LEU 35 -20.685 10.203 -0.100
284 HD13 LEU 35 3HD1 LEU 35 -19.959 9.570 -1.596
285 HD21 LEU 35 3HD2 LEU 35 -18.712 6.404 0.086
286 HD22 LEU 35 1HD2 LEU 35 -20.233 6.581 -0.822
287 HD23 LEU 35 2HD2 LEU 35 -18.721 7.256 -1.477
288 H ARG 36 H ARG 36 -17.683 7.918 2.876
289 HA ARG 36 HA ARG 36 -18.833 8.015 5.430
290 HB2 ARG 36 2HB ARG 36 -20.836 6.503 5.124
291 HB3 ARG 36 1HB ARG 36 -21.100 8.040 4.358
292 HG2 ARG 36 2HG ARG 36 -20.269 6.956 2.210
293 HG3 ARG 36 1HG ARG 36 -20.456 5.409 3.094
294 HD2 ARG 36 2HD ARG 36 -22.779 5.938 3.510
295 HD3 ARG 36 1HD ARG 36 -22.577 7.468 2.561
296 HE ARG 36 HE ARG 36 -21.822 4.857 1.369
297 HH11 ARG 36 2HH2 ARG 36 -23.519 7.923 0.872
298 HH12 ARG 36 1HH2 ARG 36 -24.156 7.403 -0.711
299 HH21 ARG 36 2HH1 ARG 36 -22.628 4.251 -0.625
300 HH22 ARG 36 1HH1 ARG 36 -23.658 5.385 -1.539
301 H LEU 37 H LEU 37 -17.266 6.954 6.300
302 HA LEU 37 HA LEU 37 -17.013 4.101 5.876
303 HB2 LEU 37 2HB LEU 37 -15.401 5.629 4.182
304 HB3 LEU 37 1HB LEU 37 -14.321 5.120 5.469
305 HG LEU 37 HG LEU 37 -16.189 3.069 4.295
306 HD11 LEU 37 1HD1 LEU 37 -14.552 2.623 2.526
307 HD12 LEU 37 2HD1 LEU 37 -15.249 4.251 2.350
308 HD13 LEU 37 3HD1 LEU 37 -13.612 4.051 3.019
309 HD21 LEU 37 3HD2 LEU 37 -14.754 2.506 6.227
310 HD22 LEU 37 1HD2 LEU 37 -14.282 1.607 4.765
311 HD23 LEU 37 2HD2 LEU 37 -13.320 3.006 5.299
312 HN1 NH2 38 3HN NH2 38 -15.018 3.676 6.260
313 HN2 NH2 38 2HN NH2 38 -16.719 3.479 6.525
Start of MODEL 14
1 H1 ACE 0 2H1 ACE 0 8.648 -8.986 -11.240
2 H2 ACE 0 3H1 ACE 0 6.878 -8.962 -11.053
3 H3 ACE 0 1H1 ACE 0 7.770 -7.438 -11.273
4 H TRP 1 H TRP 1 7.898 -10.334 -9.194
5 HA TRP 1 HA TRP 1 9.147 -9.231 -6.954
6 HB2 TRP 1 2HB TRP 1 6.650 -7.952 -7.356
7 HB3 TRP 1 1HB TRP 1 6.469 -9.069 -5.967
8 HD1 TRP 1 HD TRP 1 8.575 -6.116 -7.084
9 HE1 TRP 1 1HE TRP 1 9.433 -4.793 -4.929
10 HE3 TRP 1 3HE TRP 1 6.601 -9.102 -3.587
11 HZ2 TRP 1 2HZ TRP 1 9.178 -5.167 -2.125
12 HZ3 TRP 1 3HZ TRP 1 7.327 -9.000 -1.337
13 HH2 TRP 1 HH TRP 1 8.550 -6.925 -0.459
14 HA PRO 2 HA PRO 2 8.655 -13.509 -5.932
15 HB2 PRO 2 2HB PRO 2 9.523 -13.410 -3.352
16 HB3 PRO 2 1HB PRO 2 10.627 -13.334 -4.725
17 HG2 PRO 2 2HG PRO 2 9.493 -11.020 -3.079
18 HG3 PRO 2 1HG PRO 2 11.164 -11.291 -3.563
19 HD2 PRO 2 1HD PRO 2 9.493 -9.632 -5.072
20 HD3 PRO 2 2HD PRO 2 10.668 -10.741 -5.930
21 HA PRO 3 HA PRO 3 4.747 -13.706 -3.728
22 HB2 PRO 3 2HB PRO 3 4.623 -16.381 -3.289
23 HB3 PRO 3 1HB PRO 3 4.390 -15.705 -4.900
24 HG2 PRO 3 2HG PRO 3 6.944 -16.893 -3.702
25 HG3 PRO 3 1HG PRO 3 6.212 -17.252 -5.263
26 HD2 PRO 3 1HD PRO 3 8.245 -15.326 -5.009
27 HD3 PRO 3 2HD PRO 3 6.876 -15.067 -6.195
28 H ARG 4 H ARG 4 4.172 -15.354 -1.613
29 HA ARG 4 HA ARG 4 4.225 -15.453 0.667
30 HB2 ARG 4 2HB ARG 4 6.126 -16.952 0.151
31 HB3 ARG 4 1HB ARG 4 7.228 -15.535 0.205
32 HG2 ARG 4 2HG ARG 4 7.589 -16.234 2.374
33 HG3 ARG 4 1HG ARG 4 6.086 -15.426 2.718
34 HD2 ARG 4 2HD ARG 4 6.011 -18.330 1.860
35 HD3 ARG 4 1HD ARG 4 6.420 -17.907 3.493
36 HE ARG 4 HE ARG 4 4.128 -16.506 2.970
37 HH11 ARG 4 2HH2 ARG 4 5.053 -19.916 2.706
38 HH12 ARG 4 1HH2 ARG 4 3.478 -20.491 3.317
39 HH21 ARG 4 2HH1 ARG 4 2.088 -17.304 3.685
40 HH22 ARG 4 1HH1 ARG 4 1.861 -19.066 3.850
41 H SER 5 H SER 5 3.256 -13.747 1.225
42 HA SER 5 HA SER 5 2.764 -11.618 2.012
43 HB2 SER 5 2HB SER 5 3.742 -10.785 3.682
44 HB3 SER 5 1HB SER 5 4.283 -12.494 3.778
45 HG SER 5 HG SER 5 6.336 -11.907 3.159
46 H TYR 6 H TYR 6 2.794 -9.536 1.645
47 HA TYR 6 HA TYR 6 4.794 -8.364 -0.305
48 HB2 TYR 6 1HB TYR 6 1.890 -8.405 -0.765
49 HB3 TYR 6 2HB TYR 6 2.946 -7.447 -1.560
50 HD1 TYR 6 1HD TYR 6 1.842 -10.886 -1.114
51 HD2 TYR 6 2HD TYR 6 4.257 -8.171 -3.399
52 HE1 TYR 6 1HE TYR 6 2.174 -12.634 -2.834
53 HE2 TYR 6 2HE TYR 6 4.641 -9.919 -5.092
54 HH TYR 6 HH TYR 6 4.129 -13.076 -4.955
55 H THR 7 H THR 7 4.735 -6.179 -0.587
56 HA THR 7 HA THR 7 4.310 -4.724 1.938
57 HB THR 7 HB THR 7 5.968 -3.954 -0.554
58 HG1 THR 7 1HG THR 7 6.609 -5.656 1.667
59 HG21 THR 7 3HG2 THR 7 6.250 -3.163 2.345
60 HG22 THR 7 1HG2 THR 7 7.279 -2.659 0.983
61 HG23 THR 7 2HG2 THR 7 5.577 -2.143 1.052
62 H CYS 8 H CYS 8 3.421 -2.496 1.854
63 HA CYS 8 HA CYS 8 1.385 -2.252 -0.228
64 HB2 CYS 8 2HB CYS 8 1.205 -2.065 2.505
65 HB3 CYS 8 1HB CYS 8 1.254 -0.366 1.997
66 H SER 9 H SER 9 4.510 -1.185 0.479
67 HA SER 9 HA SER 9 5.958 0.484 -0.101
68 HB2 SER 9 2HB SER 9 5.840 1.825 -1.773
69 HB3 SER 9 1HB SER 9 4.897 0.387 -2.279
70 HG SER 9 HG SER 9 3.179 1.604 -2.557
71 H PHE 10 H PHE 10 2.759 2.041 0.260
72 HA PHE 10 HA PHE 10 3.585 4.283 1.603
73 HB2 PHE 10 1HB PHE 10 1.259 3.001 0.807
74 HB3 PHE 10 2HB PHE 10 1.007 3.355 2.381
75 HD1 PHE 10 1HD PHE 10 1.439 4.683 -0.920
76 HD2 PHE 10 2HD PHE 10 0.461 5.544 3.167
77 HE1 PHE 10 1HE PHE 10 0.311 6.771 -1.634
78 HE2 PHE 10 2HE PHE 10 -0.704 7.613 2.453
79 HZ PHE 10 HZ PHE 10 -0.750 8.248 0.059
80 H CYS 11 H CYS 11 2.550 1.115 3.231
81 HA CYS 11 HA CYS 11 3.469 2.405 5.701
82 HB2 CYS 11 2HB CYS 11 2.353 0.560 6.860
83 HB3 CYS 11 1HB CYS 11 1.236 1.474 5.828
84 H LYS 12 H LYS 12 5.230 1.175 3.329
85 HA LYS 12 HA LYS 12 6.275 -1.023 2.872
86 HB2 LYS 12 2HB LYS 12 8.457 -0.545 3.579
87 HB3 LYS 12 1HB LYS 12 7.662 1.051 3.296
88 HG2 LYS 12 2HG LYS 12 8.102 -0.142 6.019
89 HG3 LYS 12 1HG LYS 12 9.279 0.927 5.186
90 HD2 LYS 12 2HD LYS 12 6.811 2.348 5.156
91 HD3 LYS 12 1HD LYS 12 6.920 1.679 6.754
92 HE2 LYS 12 2HE LYS 12 7.962 3.735 6.917
93 HE3 LYS 12 1HE LYS 12 9.325 2.616 6.799
94 HZ1 LYS 12 3HZ LYS 12 8.153 4.146 4.573
95 HZ2 LYS 12 1HZ LYS 12 9.593 4.488 5.371
96 HZ3 LYS 12 2HZ LYS 12 9.449 3.081 4.461
97 H ARG 13 H ARG 13 4.285 -1.649 4.844
98 HA ARG 13 HA ARG 13 5.643 -3.679 6.410
99 HB2 ARG 13 2HB ARG 13 3.264 -1.993 6.646
100 HB3 ARG 13 1HB ARG 13 2.753 -3.654 6.737
101 HG2 ARG 13 2HG ARG 13 4.158 -4.083 8.643
102 HG3 ARG 13 1HG ARG 13 5.022 -2.574 8.442
103 HD2 ARG 13 2HD ARG 13 3.416 -2.218 10.221
104 HD3 ARG 13 1HD ARG 13 2.767 -1.364 8.861
105 HE ARG 13 HE ARG 13 1.798 -3.858 9.990
106 HH11 ARG 13 2HH2 ARG 13 1.325 -1.285 7.588
107 HH12 ARG 13 1HH2 ARG 13 -0.425 -1.611 7.460
108 HH21 ARG 13 2HH1 ARG 13 -0.404 -4.300 9.711
109 HH22 ARG 13 1HH1 ARG 13 -1.373 -3.269 8.625
110 H GLU 14 H GLU 14 5.046 -5.789 6.473
111 HA GLU 14 HA GLU 14 4.254 -7.021 3.859
112 HB2 GLU 14 2HB GLU 14 5.186 -9.020 4.701
113 HB3 GLU 14 1HB GLU 14 6.321 -7.659 4.379
114 HG2 GLU 14 2HG GLU 14 5.447 -8.337 7.209
115 HG3 GLU 14 1HG GLU 14 6.785 -9.164 6.453
116 H PHE 15 H PHE 15 2.402 -7.605 3.531
117 HA PHE 15 HA PHE 15 0.600 -8.670 5.639
118 HB2 PHE 15 1HB PHE 15 0.246 -7.368 3.048
119 HB3 PHE 15 2HB PHE 15 -0.921 -8.378 3.582
120 HD1 PHE 15 2HD PHE 15 1.032 -5.513 4.932
121 HD2 PHE 15 1HD PHE 15 -2.786 -7.404 4.378
122 HE1 PHE 15 2HE PHE 15 -0.025 -3.832 6.394
123 HE2 PHE 15 1HE PHE 15 -3.834 -5.750 5.886
124 HZ PHE 15 HZ PHE 15 -2.384 -4.148 7.127
125 H ARG 16 H ARG 16 -0.874 -10.380 4.963
126 HA ARG 16 HA ARG 16 0.459 -12.409 3.254
127 HB2 ARG 16 2HB ARG 16 -0.853 -12.500 5.991
128 HB3 ARG 16 1HB ARG 16 -0.960 -13.937 4.968
129 HG2 ARG 16 2HG ARG 16 1.477 -14.106 4.839
130 HG3 ARG 16 1HG ARG 16 1.685 -12.550 5.625
131 HD2 ARG 16 2HD ARG 16 0.182 -14.752 7.030
132 HD3 ARG 16 1HD ARG 16 1.958 -14.721 7.010
133 HE ARG 16 HE ARG 16 1.388 -12.199 7.736
134 HH11 ARG 16 2HH2 ARG 16 -0.147 -15.137 9.004
135 HH12 ARG 16 1HH2 ARG 16 -0.199 -14.489 10.665
136 HH21 ARG 16 2HH1 ARG 16 1.213 -11.394 9.832
137 HH22 ARG 16 1HH1 ARG 16 0.543 -12.433 11.118
138 H SER 17 H SER 17 -1.196 -10.639 1.987
139 HA SER 17 HA SER 17 -2.910 -12.384 0.557
140 HB2 SER 17 2HB SER 17 -5.100 -11.248 1.119
141 HB3 SER 17 1HB SER 17 -4.473 -12.393 2.317
142 HG SER 17 HG SER 17 -4.726 -10.767 3.666
143 H ALA 18 H ALA 18 -3.387 -11.627 -1.384
144 HA ALA 18 HA ALA 18 -2.322 -9.189 -2.444
145 HB1 ALA 18 1HB ALA 18 -3.415 -9.839 -4.450
146 HB2 ALA 18 2HB ALA 18 -2.555 -11.211 -3.711
147 HB3 ALA 18 3HB ALA 18 -4.326 -11.099 -3.583
148 H GLN 19 H GLN 19 -5.829 -10.037 -2.016
149 HA GLN 19 HA GLN 19 -6.696 -7.398 -2.702
150 HB2 GLN 19 2HB GLN 19 -8.000 -9.657 -2.794
151 HB3 GLN 19 1HB GLN 19 -8.297 -9.390 -1.072
152 HG2 GLN 19 2HG GLN 19 -9.308 -7.131 -1.634
153 HG3 GLN 19 1HG GLN 19 -9.068 -7.456 -3.329
154 HE21 GLN 19 2HE2 GLN 19 -11.068 -7.543 -4.057
155 HE22 GLN 19 1HE2 GLN 19 -12.295 -8.703 -3.482
156 H ALA 20 H ALA 20 -6.368 -8.858 0.624
157 HA ALA 20 HA ALA 20 -7.034 -6.439 1.902
158 HB1 ALA 20 1HB ALA 20 -6.131 -7.445 3.894
159 HB2 ALA 20 2HB ALA 20 -7.270 -8.486 3.007
160 HB3 ALA 20 3HB ALA 20 -5.521 -8.802 2.916
161 H LEU 21 H LEU 21 -3.953 -7.153 0.254
162 HA LEU 21 HA LEU 21 -2.846 -4.720 1.303
163 HB2 LEU 21 2HB LEU 21 -2.111 -6.697 -0.826
164 HB3 LEU 21 1HB LEU 21 -1.372 -5.092 -0.857
165 HG LEU 21 HG LEU 21 -1.443 -6.578 1.760
166 HD11 LEU 21 1HD1 LEU 21 0.636 -7.723 1.104
167 HD12 LEU 21 2HD1 LEU 21 -0.721 -8.230 0.070
168 HD13 LEU 21 3HD1 LEU 21 0.482 -7.071 -0.544
169 HD21 LEU 21 3HD2 LEU 21 -0.600 -4.260 1.647
170 HD22 LEU 21 1HD2 LEU 21 0.689 -5.415 2.059
171 HD23 LEU 21 2HD2 LEU 21 0.579 -4.755 0.410
172 H GLY 22 H GLY 22 -4.239 -5.566 -2.009
173 HA2 GLY 22 2HA GLY 22 -4.172 -3.047 -3.183
174 HA3 GLY 22 1HA GLY 22 -5.435 -4.223 -3.472
175 H GLY 23 H GLY 23 -6.871 -4.385 -1.174
176 HA2 GLY 23 2HA GLY 23 -8.423 -1.985 -0.952
177 HA3 GLY 23 1HA GLY 23 -8.489 -3.370 0.101
178 H HIS 24 H HIS 24 -5.739 -3.316 1.147
179 HA HIS 24 HA HIS 24 -6.223 -1.457 3.206
180 HB2 HIS 24 2HB HIS 24 -5.165 -3.389 3.807
181 HB3 HIS 24 1HB HIS 24 -3.945 -3.247 2.503
182 HD1 HIS 24 1HD HIS 24 -4.242 -2.935 5.945
183 HD2 HIS 24 2HD HIS 24 -2.344 -0.676 3.007
184 HE1 HIS 24 1HE HIS 24 -2.414 -1.508 7.179
185 H MET 25 H MET 25 -3.980 -1.453 0.373
186 HA MET 25 HA MET 25 -2.752 1.052 0.670
187 HB2 MET 25 2HB MET 25 -2.538 -0.990 -1.084
188 HB3 MET 25 1HB MET 25 -3.513 0.104 -2.053
189 HG2 MET 25 2HG MET 25 -1.897 1.901 -1.698
190 HG3 MET 25 1HG MET 25 -0.906 0.799 -0.688
191 HE1 MET 25 3HE MET 25 -1.182 -1.949 -2.427
192 HE2 MET 25 1HE MET 25 0.273 -1.828 -3.444
193 HE3 MET 25 2HE MET 25 0.352 -1.387 -1.722
194 H ASN 26 H ASN 26 -5.881 0.302 -1.044
195 HA ASN 26 HA ASN 26 -6.541 2.956 -1.679
196 HB2 ASN 26 2HB ASN 26 -7.729 0.729 -2.352
197 HB3 ASN 26 1HB ASN 26 -8.580 0.861 -0.819
198 HD21 ASN 26 2HD2 ASN 26 -10.037 2.621 -0.454
199 HD22 ASN 26 1HD2 ASN 26 -10.686 3.544 -1.836
200 H VAL 27 H VAL 27 -7.178 1.236 1.442
201 HA VAL 27 HA VAL 27 -8.563 3.357 2.662
202 HB VAL 27 HB VAL 27 -8.393 0.931 3.273
203 HG11 VAL 27 1HG1 VAL 27 -7.196 0.512 5.360
204 HG12 VAL 27 2HG1 VAL 27 -6.064 0.791 4.016
205 HG13 VAL 27 3HG1 VAL 27 -6.361 2.076 5.210
206 HG21 VAL 27 3HG2 VAL 27 -9.982 2.501 4.065
207 HG22 VAL 27 1HG2 VAL 27 -9.359 1.534 5.423
208 HG23 VAL 27 2HG2 VAL 27 -8.797 3.206 5.190
209 H HIS 28 H HIS 28 -5.112 3.215 1.956
210 HA HIS 28 HA HIS 28 -4.072 4.851 3.871
211 HB2 HIS 28 2HB HIS 28 -3.394 4.494 0.987
212 HB3 HIS 28 1HB HIS 28 -2.456 5.545 2.096
213 HD1 HIS 28 1HD HIS 28 -2.948 3.491 4.488
214 HD2 HIS 28 2HD HIS 28 -1.219 2.705 0.784
215 HE1 HIS 28 1HE HIS 28 -1.421 1.381 4.824
216 H ARG 29 H ARG 29 -6.384 5.662 1.381
217 HA ARG 29 HA ARG 29 -7.477 7.501 0.740
218 HB2 ARG 29 2HB ARG 29 -7.681 7.512 3.317
219 HB3 ARG 29 1HB ARG 29 -6.427 8.796 3.285
220 HG2 ARG 29 2HG ARG 29 -7.858 10.281 2.162
221 HG3 ARG 29 1HG ARG 29 -9.066 8.984 1.855
222 HD2 ARG 29 2HD ARG 29 -9.297 8.725 4.408
223 HD3 ARG 29 1HD ARG 29 -8.263 10.121 4.615
224 HE ARG 29 HE ARG 29 -10.021 11.419 4.270
225 HH11 ARG 29 2HH2 ARG 29 -10.905 8.318 2.758
226 HH12 ARG 29 1HH2 ARG 29 -12.532 8.908 2.324
227 HH21 ARG 29 2HH1 ARG 29 -12.090 12.100 3.698
228 HH22 ARG 29 1HH1 ARG 29 -13.181 10.979 2.841
229 H ARG 30 H ARG 30 -5.954 7.409 -0.907
230 HA ARG 30 HA ARG 30 -3.849 9.375 -1.162
231 HB2 ARG 30 2HB ARG 30 -3.794 8.594 -3.478
232 HB3 ARG 30 1HB ARG 30 -3.888 7.190 -2.362
233 HG2 ARG 30 2HG ARG 30 -5.473 6.463 -3.869
234 HG3 ARG 30 1HG ARG 30 -6.542 7.526 -2.984
235 HD2 ARG 30 2HD ARG 30 -6.936 8.577 -4.882
236 HD3 ARG 30 1HD ARG 30 -5.265 9.196 -4.841
237 HE ARG 30 HE ARG 30 -5.255 6.537 -5.802
238 HH11 ARG 30 2HH2 ARG 30 -6.182 9.763 -7.003
239 HH12 ARG 30 1HH2 ARG 30 -6.001 9.257 -8.704
240 HH21 ARG 30 2HH1 ARG 30 -5.059 5.968 -7.967
241 HH22 ARG 30 1HH1 ARG 30 -5.387 7.185 -9.230
242 H ASP 31 H ASP 31 -3.873 10.825 -3.125
243 HA ASP 31 HA ASP 31 -4.529 12.802 -4.088
244 HB2 ASP 31 2HB ASP 31 -6.258 11.337 -4.997
245 HB3 ASP 31 1HB ASP 31 -7.330 11.849 -3.646
246 H ARG 32 H ARG 32 -3.514 13.774 -2.224
247 HA ARG 32 HA ARG 32 -5.400 15.378 -0.603
248 HB2 ARG 32 2HB ARG 32 -4.365 13.413 0.760
249 HB3 ARG 32 1HB ARG 32 -2.806 14.156 0.505
250 HG2 ARG 32 2HG ARG 32 -3.611 14.853 2.641
251 HG3 ARG 32 1HG ARG 32 -3.710 16.262 1.585
252 HD2 ARG 32 2HD ARG 32 -6.141 15.736 1.192
253 HD3 ARG 32 1HD ARG 32 -6.007 14.427 2.375
254 HE ARG 32 HE ARG 32 -5.039 16.945 3.376
255 HH11 ARG 32 2HH2 ARG 32 -7.902 14.877 3.072
256 HH12 ARG 32 1HH2 ARG 32 -8.811 15.797 4.301
257 HH21 ARG 32 2HH1 ARG 32 -6.213 18.048 4.984
258 HH22 ARG 32 1HH1 ARG 32 -7.882 17.536 5.352
259 H ALA 33 H ALA 33 -5.155 17.373 -1.046
260 HA ALA 33 HA ALA 33 -4.438 19.403 -1.612
261 HB1 ALA 33 1HB ALA 33 -2.235 20.174 -1.023
262 HB2 ALA 33 2HB ALA 33 -3.077 19.329 0.298
263 HB3 ALA 33 3HB ALA 33 -1.775 18.509 -0.597
264 H ARG 34 H ARG 34 -1.867 17.187 -2.662
265 HA ARG 34 HA ARG 34 -2.140 17.404 -5.471
266 HB2 ARG 34 2HB ARG 34 -0.117 18.578 -6.065
267 HB3 ARG 34 1HB ARG 34 -1.370 19.663 -5.351
268 HG2 ARG 34 2HG ARG 34 0.589 20.554 -4.455
269 HG3 ARG 34 1HG ARG 34 0.146 19.442 -3.186
270 HD2 ARG 34 2HD ARG 34 1.898 18.049 -3.597
271 HD3 ARG 34 1HD ARG 34 1.877 18.331 -5.341
272 HE ARG 34 HE ARG 34 2.614 20.674 -3.841
273 HH11 ARG 34 2HH2 ARG 34 3.921 17.674 -5.233
274 HH12 ARG 34 1HH2 ARG 34 5.570 18.345 -5.342
275 HH21 ARG 34 2HH1 ARG 34 4.714 21.502 -4.089
276 HH22 ARG 34 1HH1 ARG 34 6.004 20.441 -4.718
277 H LEU 35 H LEU 35 0.299 16.805 -2.950
278 HA LEU 35 HA LEU 35 1.831 15.076 -2.732
279 HB2 LEU 35 2HB LEU 35 -0.630 13.684 -3.607
280 HB3 LEU 35 1HB LEU 35 0.873 12.802 -3.601
281 HG LEU 35 HG LEU 35 0.009 14.432 -1.208
282 HD11 LEU 35 1HD1 LEU 35 -0.931 12.331 -0.329
283 HD12 LEU 35 2HD1 LEU 35 -1.792 12.842 -1.800
284 HD13 LEU 35 3HD1 LEU 35 -0.599 11.524 -1.880
285 HD21 LEU 35 3HD2 LEU 35 2.371 13.698 -1.314
286 HD22 LEU 35 1HD2 LEU 35 1.474 12.833 -0.043
287 HD23 LEU 35 2HD2 LEU 35 1.835 12.023 -1.587
288 H ARG 36 H ARG 36 2.953 13.200 -4.037
289 HA ARG 36 HA ARG 36 3.993 14.287 -6.439
290 HB2 ARG 36 2HB ARG 36 5.162 12.953 -4.616
291 HB3 ARG 36 1HB ARG 36 4.274 11.501 -5.198
292 HG2 ARG 36 2HG ARG 36 6.144 12.955 -7.089
293 HG3 ARG 36 1HG ARG 36 6.805 11.865 -5.911
294 HD2 ARG 36 2HD ARG 36 4.984 10.205 -6.827
295 HD3 ARG 36 1HD ARG 36 5.037 11.295 -8.233
296 HE ARG 36 HE ARG 36 7.049 9.445 -7.368
297 HH11 ARG 36 2HH2 ARG 36 6.537 12.258 -9.460
298 HH12 ARG 36 1HH2 ARG 36 8.169 12.127 -10.168
299 HH21 ARG 36 2HH1 ARG 36 9.066 9.285 -8.322
300 HH22 ARG 36 1HH1 ARG 36 9.559 10.486 -9.546
301 H LEU 37 H LEU 37 1.783 11.542 -5.822
302 HA LEU 37 HA LEU 37 0.628 10.137 -7.135
303 HB2 LEU 37 2HB LEU 37 0.031 12.784 -8.105
304 HB3 LEU 37 1HB LEU 37 -0.230 11.566 -9.326
305 HG LEU 37 HG LEU 37 -1.258 11.200 -6.504
306 HD11 LEU 37 1HD1 LEU 37 -3.381 12.114 -7.337
307 HD12 LEU 37 2HD1 LEU 37 -2.096 13.344 -7.404
308 HD13 LEU 37 3HD1 LEU 37 -2.611 12.514 -8.891
309 HD21 LEU 37 3HD2 LEU 37 -1.178 9.202 -7.959
310 HD22 LEU 37 1HD2 LEU 37 -2.850 9.723 -7.643
311 HD23 LEU 37 2HD2 LEU 37 -2.087 10.083 -9.210
312 HN1 NH2 38 3HN NH2 38 1.353 8.336 -9.330
313 HN2 NH2 38 2HN NH2 38 1.610 8.650 -7.646
Start of MODEL 15
1 H1 ACE 0 2H1 ACE 0 10.691 -5.754 -15.080
2 H2 ACE 0 3H1 ACE 0 11.129 -4.038 -14.905
3 H3 ACE 0 1H1 ACE 0 12.401 -5.284 -14.936
4 H TRP 1 H TRP 1 11.435 -7.210 -13.337
5 HA TRP 1 HA TRP 1 12.072 -6.209 -10.709
6 HB2 TRP 1 2HB TRP 1 9.468 -5.549 -11.393
7 HB3 TRP 1 1HB TRP 1 9.308 -7.074 -10.465
8 HD1 TRP 1 HD TRP 1 10.403 -6.992 -8.001
9 HE1 TRP 1 1HE TRP 1 10.423 -5.020 -6.199
10 HE3 TRP 1 3HE TRP 1 9.255 -3.206 -11.068
11 HZ2 TRP 1 2HZ TRP 1 9.990 -2.219 -6.301
12 HZ3 TRP 1 3HZ TRP 1 9.619 -0.958 -10.426
13 HH2 TRP 1 HH TRP 1 9.848 -0.340 -7.949
14 HA PRO 2 HA PRO 2 12.918 -10.593 -10.555
15 HB2 PRO 2 2HB PRO 2 13.913 -10.641 -8.062
16 HB3 PRO 2 1HB PRO 2 14.818 -9.909 -9.387
17 HG2 PRO 2 2HG PRO 2 13.063 -8.511 -7.303
18 HG3 PRO 2 1HG PRO 2 14.705 -8.099 -7.783
19 HD2 PRO 2 1HD PRO 2 12.514 -6.842 -8.975
20 HD3 PRO 2 2HD PRO 2 13.966 -7.280 -9.991
21 HA PRO 3 HA PRO 3 9.519 -12.535 -8.481
22 HB2 PRO 3 2HB PRO 3 10.608 -14.916 -7.656
23 HB3 PRO 3 1HB PRO 3 10.164 -14.583 -9.330
24 HG2 PRO 3 2HG PRO 3 12.916 -14.320 -8.016
25 HG3 PRO 3 1HG PRO 3 12.513 -15.104 -9.540
26 HD2 PRO 3 1HD PRO 3 13.414 -12.460 -9.493
27 HD3 PRO 3 2HD PRO 3 12.085 -12.936 -10.656
28 H ARG 4 H ARG 4 12.531 -12.044 -6.718
29 HA ARG 4 HA ARG 4 11.846 -12.402 -4.099
30 HB2 ARG 4 2HB ARG 4 13.470 -10.292 -5.590
31 HB3 ARG 4 1HB ARG 4 13.450 -10.388 -3.802
32 HG2 ARG 4 2HG ARG 4 14.203 -12.828 -5.422
33 HG3 ARG 4 1HG ARG 4 15.395 -11.555 -5.155
34 HD2 ARG 4 2HD ARG 4 15.754 -12.271 -3.044
35 HD3 ARG 4 1HD ARG 4 14.036 -12.166 -2.654
36 HE ARG 4 HE ARG 4 15.480 -14.507 -3.687
37 HH11 ARG 4 2HH2 ARG 4 12.430 -13.150 -2.475
38 HH12 ARG 4 1HH2 ARG 4 11.737 -14.763 -2.159
39 HH21 ARG 4 2HH1 ARG 4 14.523 -16.542 -3.306
40 HH22 ARG 4 1HH1 ARG 4 12.881 -16.616 -2.614
41 H SER 5 H SER 5 11.461 -10.679 -2.402
42 HA SER 5 HA SER 5 9.087 -9.457 -2.352
43 HB2 SER 5 2HB SER 5 11.703 -8.455 -1.104
44 HB3 SER 5 1HB SER 5 10.105 -7.922 -0.607
45 HG SER 5 HG SER 5 10.857 -9.577 0.741
46 H TYR 6 H TYR 6 8.193 -7.487 -2.516
47 HA TYR 6 HA TYR 6 9.392 -5.748 -4.691
48 HB2 TYR 6 1HB TYR 6 6.517 -6.162 -4.147
49 HB3 TYR 6 2HB TYR 6 7.190 -5.467 -5.463
50 HD1 TYR 6 1HD TYR 6 6.417 -8.582 -3.827
51 HD2 TYR 6 2HD TYR 6 8.021 -6.765 -7.362
52 HE1 TYR 6 1HE TYR 6 6.444 -10.786 -4.939
53 HE2 TYR 6 2HE TYR 6 8.296 -8.991 -8.387
54 HH TYR 6 HH TYR 6 7.843 -11.927 -7.287
55 H THR 7 H THR 7 9.292 -3.608 -4.587
56 HA THR 7 HA THR 7 9.083 -2.350 -1.971
57 HB THR 7 HB THR 7 9.885 -1.155 -4.708
58 HG1 THR 7 1HG THR 7 11.518 -2.560 -2.808
59 HG21 THR 7 3HG2 THR 7 10.749 -0.446 -1.910
60 HG22 THR 7 1HG2 THR 7 11.282 0.304 -3.434
61 HG23 THR 7 2HG2 THR 7 9.592 0.472 -2.903
62 H CYS 8 H CYS 8 7.782 -0.334 -1.616
63 HA CYS 8 HA CYS 8 5.325 -0.412 -3.207
64 HB2 CYS 8 2HB CYS 8 5.690 -0.477 -0.492
65 HB3 CYS 8 1HB CYS 8 5.312 1.230 -0.790
66 H SER 9 H SER 9 8.249 1.218 -3.103
67 HA SER 9 HA SER 9 9.178 3.187 -3.799
68 HB2 SER 9 2HB SER 9 8.393 4.612 -5.189
69 HB3 SER 9 1HB SER 9 7.590 3.073 -5.630
70 HG SER 9 HG SER 9 5.708 4.007 -5.366
71 H PHE 10 H PHE 10 5.975 4.057 -2.444
72 HA PHE 10 HA PHE 10 6.792 6.284 -1.032
73 HB2 PHE 10 1HB PHE 10 4.539 4.732 -1.415
74 HB3 PHE 10 2HB PHE 10 4.672 4.876 0.206
75 HD1 PHE 10 2HD PHE 10 4.468 7.070 1.357
76 HD2 PHE 10 1HD PHE 10 3.604 6.349 -2.783
77 HE1 PHE 10 2HE PHE 10 2.881 8.980 1.354
78 HE2 PHE 10 1HE PHE 10 2.012 8.246 -2.787
79 HZ PHE 10 HZ PHE 10 1.647 9.562 -0.718
80 H CYS 11 H CYS 11 6.312 2.887 0.511
81 HA CYS 11 HA CYS 11 7.714 4.023 2.788
82 HB2 CYS 11 2HB CYS 11 7.211 1.906 3.885
83 HB3 CYS 11 1HB CYS 11 5.750 2.655 3.214
84 H LYS 12 H LYS 12 9.010 3.378 -0.064
85 HA LYS 12 HA LYS 12 10.283 1.635 -1.104
86 HB2 LYS 12 2HB LYS 12 12.534 2.527 -0.685
87 HB3 LYS 12 1HB LYS 12 11.507 3.865 -0.297
88 HG2 LYS 12 2HG LYS 12 11.588 3.147 2.095
89 HG3 LYS 12 1HG LYS 12 12.840 1.967 1.591
90 HD2 LYS 12 2HD LYS 12 14.096 3.938 0.636
91 HD3 LYS 12 1HD LYS 12 12.941 4.971 1.544
92 HE2 LYS 12 2HE LYS 12 13.576 3.392 3.605
93 HE3 LYS 12 1HE LYS 12 14.989 2.977 2.670
94 HZ1 LYS 12 3HZ LYS 12 14.209 5.673 3.491
95 HZ2 LYS 12 1HZ LYS 12 15.410 4.707 4.164
96 HZ3 LYS 12 2HZ LYS 12 15.571 5.273 2.589
97 H ARG 13 H ARG 13 8.938 0.336 1.270
98 HA ARG 13 HA ARG 13 10.981 -1.526 2.166
99 HB2 ARG 13 2HB ARG 13 8.667 -0.432 3.290
100 HB3 ARG 13 1HB ARG 13 8.173 -2.075 2.880
101 HG2 ARG 13 2HG ARG 13 10.557 -2.649 3.942
102 HG3 ARG 13 1HG ARG 13 10.226 -1.115 4.807
103 HD2 ARG 13 2HD ARG 13 8.415 -3.543 4.757
104 HD3 ARG 13 1HD ARG 13 9.530 -3.092 6.087
105 HE ARG 13 HE ARG 13 6.974 -1.870 5.391
106 HH11 ARG 13 2HH2 ARG 13 9.904 -1.440 7.354
107 HH12 ARG 13 1HH2 ARG 13 9.017 -0.554 8.624
108 HH21 ARG 13 2HH1 ARG 13 5.926 -0.671 7.000
109 HH22 ARG 13 1HH1 ARG 13 6.850 -0.131 8.428
110 H GLU 14 H GLU 14 11.220 -3.534 1.646
111 HA GLU 14 HA GLU 14 9.909 -4.644 -0.741
112 HB2 GLU 14 2HB GLU 14 12.138 -5.658 1.005
113 HB3 GLU 14 1HB GLU 14 11.469 -6.501 -0.432
114 HG2 GLU 14 2HG GLU 14 13.291 -5.473 -1.414
115 HG3 GLU 14 1HG GLU 14 12.129 -4.169 -1.602
116 H PHE 15 H PHE 15 8.054 -5.675 -0.561
117 HA PHE 15 HA PHE 15 7.506 -7.371 1.829
118 HB2 PHE 15 1HB PHE 15 5.677 -6.268 -0.207
119 HB3 PHE 15 2HB PHE 15 5.241 -7.089 1.135
120 HD1 PHE 15 1HD PHE 15 5.426 -6.119 3.386
121 HD2 PHE 15 2HD PHE 15 6.058 -3.873 -0.223
122 HE1 PHE 15 1HE PHE 15 4.898 -4.024 4.598
123 HE2 PHE 15 2HE PHE 15 5.342 -1.810 0.946
124 HZ PHE 15 HZ PHE 15 5.000 -1.847 3.398
125 H ARG 16 H ARG 16 6.875 -9.435 1.678
126 HA ARG 16 HA ARG 16 7.462 -10.908 -0.762
127 HB2 ARG 16 2HB ARG 16 7.702 -11.335 2.034
128 HB3 ARG 16 1HB ARG 16 6.398 -12.421 1.544
129 HG2 ARG 16 2HG ARG 16 7.980 -13.225 -0.352
130 HG3 ARG 16 1HG ARG 16 9.257 -12.361 0.474
131 HD2 ARG 16 2HD ARG 16 9.449 -14.536 1.342
132 HD3 ARG 16 1HD ARG 16 8.513 -13.751 2.592
133 HE ARG 16 HE ARG 16 6.787 -15.103 2.137
134 HH11 ARG 16 2HH2 ARG 16 8.712 -15.080 -0.848
135 HH12 ARG 16 1HH2 ARG 16 7.831 -16.477 -1.521
136 HH21 ARG 16 2HH1 ARG 16 5.690 -16.863 1.212
137 HH22 ARG 16 1HH1 ARG 16 6.183 -17.447 -0.400
138 H SER 17 H SER 17 5.248 -9.310 -1.219
139 HA SER 17 HA SER 17 3.138 -11.272 -1.844
140 HB2 SER 17 2HB SER 17 2.745 -9.079 0.161
141 HB3 SER 17 1HB SER 17 1.422 -9.637 -0.885
142 HG SER 17 HG SER 17 2.989 -11.648 0.366
143 H ALA 18 H ALA 18 1.337 -10.154 -3.064
144 HA ALA 18 HA ALA 18 2.318 -7.834 -4.719
145 HB1 ALA 18 1HB ALA 18 1.092 -8.743 -6.543
146 HB2 ALA 18 2HB ALA 18 2.354 -9.860 -5.970
147 HB3 ALA 18 3HB ALA 18 0.647 -10.164 -5.567
148 H GLN 19 H GLN 19 -0.893 -9.421 -4.139
149 HA GLN 19 HA GLN 19 -2.378 -7.044 -4.274
150 HB2 GLN 19 2HB GLN 19 -2.884 -9.760 -3.030
151 HB3 GLN 19 1HB GLN 19 -4.109 -8.462 -3.037
152 HG2 GLN 19 2HG GLN 19 -4.258 -8.473 -5.442
153 HG3 GLN 19 1HG GLN 19 -2.717 -9.282 -5.632
154 HE21 GLN 19 2HE2 GLN 19 -6.080 -9.647 -5.536
155 HE22 GLN 19 1HE2 GLN 19 -6.120 -11.429 -5.464
156 H ALA 20 H ALA 20 -1.048 -8.450 -1.253
157 HA ALA 20 HA ALA 20 -1.983 -6.577 0.569
158 HB1 ALA 20 1HB ALA 20 0.023 -6.993 1.816
159 HB2 ALA 20 2HB ALA 20 -0.655 -8.504 1.163
160 HB3 ALA 20 3HB ALA 20 0.773 -7.766 0.399
161 H LEU 21 H LEU 21 0.461 -6.047 -1.984
162 HA LEU 21 HA LEU 21 1.458 -3.483 -0.916
163 HB2 LEU 21 2HB LEU 21 2.027 -5.107 -3.360
164 HB3 LEU 21 1HB LEU 21 2.624 -3.439 -3.091
165 HG LEU 21 HG LEU 21 3.641 -4.289 -0.946
166 HD11 LEU 21 1HD1 LEU 21 4.095 -6.694 -0.777
167 HD12 LEU 21 2HD1 LEU 21 2.354 -6.340 -0.681
168 HD13 LEU 21 3HD1 LEU 21 3.048 -6.990 -2.185
169 HD21 LEU 21 3HD2 LEU 21 4.921 -3.852 -3.027
170 HD22 LEU 21 1HD2 LEU 21 5.580 -5.271 -2.177
171 HD23 LEU 21 2HD2 LEU 21 4.544 -5.492 -3.608
172 H GLY 22 H GLY 22 -0.439 -4.547 -3.886
173 HA2 GLY 22 2HA GLY 22 -1.065 -2.078 -4.910
174 HA3 GLY 22 1HA GLY 22 -2.182 -3.443 -4.902
175 H GLY 23 H GLY 23 -2.983 -3.830 -2.371
176 HA2 GLY 23 2HA GLY 23 -4.720 -1.685 -1.609
177 HA3 GLY 23 1HA GLY 23 -4.309 -3.060 -0.636
178 H HIS 24 H HIS 24 -1.434 -2.589 -0.383
179 HA HIS 24 HA HIS 24 -1.637 -0.906 1.878
180 HB2 HIS 24 2HB HIS 24 -0.268 -2.711 2.108
181 HB3 HIS 24 1HB HIS 24 0.585 -2.394 0.564
182 HD1 HIS 24 1HD HIS 24 1.180 -2.306 3.945
183 HD2 HIS 24 2HD HIS 24 1.897 0.408 0.870
184 HE1 HIS 24 1HE HIS 24 3.073 -0.703 4.807
185 H MET 25 H MET 25 -0.107 -0.528 -1.387
186 HA MET 25 HA MET 25 0.885 2.099 -1.134
187 HB2 MET 25 2HB MET 25 1.096 0.216 -2.994
188 HB3 MET 25 1HB MET 25 -0.200 1.171 -3.732
189 HG2 MET 25 2HG MET 25 1.133 3.196 -3.559
190 HG3 MET 25 1HG MET 25 2.426 2.294 -2.706
191 HE1 MET 25 3HE MET 25 1.319 3.784 -5.904
192 HE2 MET 25 1HE MET 25 1.667 2.601 -7.187
193 HE3 MET 25 2HE MET 25 0.325 2.316 -6.054
194 H ASN 26 H ASN 26 -2.405 0.977 -2.257
195 HA ASN 26 HA ASN 26 -3.547 3.538 -2.529
196 HB2 ASN 26 2HB ASN 26 -4.554 1.168 -3.093
197 HB3 ASN 26 1HB ASN 26 -5.083 1.150 -1.428
198 HD21 ASN 26 2HD2 ASN 26 -6.513 2.894 -0.666
199 HD22 ASN 26 1HD2 ASN 26 -7.593 3.662 -1.859
200 H VAL 27 H VAL 27 -3.082 1.697 0.581
201 HA VAL 27 HA VAL 27 -4.480 3.578 2.131
202 HB VAL 27 HB VAL 27 -3.721 1.248 2.658
203 HG11 VAL 27 1HG1 VAL 27 -2.046 1.152 4.432
204 HG12 VAL 27 2HG1 VAL 27 -1.306 1.585 2.872
205 HG13 VAL 27 3HG1 VAL 27 -1.583 2.839 4.104
206 HG21 VAL 27 3HG2 VAL 27 -5.376 2.534 3.777
207 HG22 VAL 27 1HG2 VAL 27 -4.305 1.760 4.970
208 HG23 VAL 27 2HG2 VAL 27 -4.133 3.495 4.613
209 H HIS 28 H HIS 28 -1.319 3.984 0.635
210 HA HIS 28 HA HIS 28 -0.093 5.752 2.335
211 HB2 HIS 28 2HB HIS 28 0.031 5.457 -0.637
212 HB3 HIS 28 1HB HIS 28 1.078 6.563 0.308
213 HD1 HIS 28 1HD HIS 28 1.231 4.430 2.679
214 HD2 HIS 28 2HD HIS 28 2.262 3.862 -1.315
215 HE1 HIS 28 1HE HIS 28 2.958 2.453 2.639
216 H ARG 29 H ARG 29 -1.618 7.256 3.267
217 HA ARG 29 HA ARG 29 -2.644 9.267 3.500
218 HB2 ARG 29 2HB ARG 29 -0.293 9.920 2.708
219 HB3 ARG 29 1HB ARG 29 -1.009 10.131 1.080
220 HG2 ARG 29 2HG ARG 29 -2.662 11.630 2.782
221 HG3 ARG 29 1HG ARG 29 -1.019 11.947 3.366
222 HD2 ARG 29 2HD ARG 29 -0.317 12.522 1.020
223 HD3 ARG 29 1HD ARG 29 -1.959 12.239 0.463
224 HE ARG 29 HE ARG 29 -0.935 14.527 1.799
225 HH11 ARG 29 2HH2 ARG 29 -3.980 12.840 1.068
226 HH12 ARG 29 1HH2 ARG 29 -4.958 14.269 1.499
227 HH21 ARG 29 2HH1 ARG 29 -2.214 16.302 2.283
228 HH22 ARG 29 1HH1 ARG 29 -3.989 16.168 2.161
229 H ARG 30 H ARG 30 -4.250 7.475 2.362
230 HA ARG 30 HA ARG 30 -5.870 9.140 0.537
231 HB2 ARG 30 2HB ARG 30 -4.418 6.919 -0.339
232 HB3 ARG 30 1HB ARG 30 -5.971 6.199 0.065
233 HG2 ARG 30 2HG ARG 30 -6.848 8.378 -1.299
234 HG3 ARG 30 1HG ARG 30 -5.285 8.144 -2.082
235 HD2 ARG 30 2HD ARG 30 -5.899 5.728 -2.497
236 HD3 ARG 30 1HD ARG 30 -7.481 6.034 -1.802
237 HE ARG 30 HE ARG 30 -6.685 6.531 -4.401
238 HH11 ARG 30 2HH2 ARG 30 -8.636 8.217 -1.939
239 HH12 ARG 30 1HH2 ARG 30 -9.532 9.136 -3.178
240 HH21 ARG 30 2HH1 ARG 30 -7.845 7.741 -5.904
241 HH22 ARG 30 1HH1 ARG 30 -9.102 8.875 -5.340
242 H ASP 31 H ASP 31 -8.068 8.485 0.425
243 HA ASP 31 HA ASP 31 -10.173 7.922 1.219
244 HB2 ASP 31 2HB ASP 31 -9.298 5.597 1.385
245 HB3 ASP 31 1HB ASP 31 -8.854 5.896 3.028
246 H ARG 32 H ARG 32 -10.604 9.989 1.959
247 HA ARG 32 HA ARG 32 -10.476 10.352 4.933
248 HB2 ARG 32 2HB ARG 32 -10.161 12.518 2.805
249 HB3 ARG 32 1HB ARG 32 -10.383 12.807 4.507
250 HG2 ARG 32 2HG ARG 32 -8.245 11.221 4.725
251 HG3 ARG 32 1HG ARG 32 -7.987 11.760 3.068
252 HD2 ARG 32 2HD ARG 32 -6.862 13.317 4.425
253 HD3 ARG 32 1HD ARG 32 -8.367 14.137 3.925
254 HE ARG 32 HE ARG 32 -8.556 12.636 6.407
255 HH11 ARG 32 2HH2 ARG 32 -8.098 15.889 5.054
256 HH12 ARG 32 1HH2 ARG 32 -8.323 16.665 6.645
257 HH21 ARG 32 2HH1 ARG 32 -8.915 13.675 8.368
258 HH22 ARG 32 1HH1 ARG 32 -8.775 15.451 8.461
259 H ALA 33 H ALA 33 -12.310 9.365 5.308
260 HA ALA 33 HA ALA 33 -14.770 10.843 4.609
261 HB1 ALA 33 1HB ALA 33 -15.946 8.700 4.260
262 HB2 ALA 33 2HB ALA 33 -14.654 8.922 3.057
263 HB3 ALA 33 3HB ALA 33 -14.408 7.822 4.434
264 H ARG 34 H ARG 34 -16.343 10.787 6.279
265 HA ARG 34 HA ARG 34 -15.674 9.239 8.703
266 HB2 ARG 34 2HB ARG 34 -15.011 11.901 8.586
267 HB3 ARG 34 1HB ARG 34 -16.697 12.087 9.008
268 HG2 ARG 34 2HG ARG 34 -14.817 10.307 10.629
269 HG3 ARG 34 1HG ARG 34 -15.081 11.984 10.984
270 HD2 ARG 34 2HD ARG 34 -17.350 11.636 11.535
271 HD3 ARG 34 1HD ARG 34 -17.362 10.020 10.808
272 HE ARG 34 HE ARG 34 -16.443 9.184 12.695
273 HH11 ARG 34 2HH2 ARG 34 -16.012 12.705 12.936
274 HH12 ARG 34 1HH2 ARG 34 -15.265 12.577 14.551
275 HH21 ARG 34 2HH1 ARG 34 -15.524 9.085 14.737
276 HH22 ARG 34 1HH1 ARG 34 -15.000 10.590 15.540
277 H LEU 35 H LEU 35 -17.221 7.769 8.373
278 HA LEU 35 HA LEU 35 -19.226 6.755 8.207
279 HB2 LEU 35 2HB LEU 35 -19.855 9.013 10.079
280 HB3 LEU 35 1HB LEU 35 -21.097 7.880 9.599
281 HG LEU 35 HG LEU 35 -18.596 6.549 10.352
282 HD11 LEU 35 1HD1 LEU 35 -18.842 7.023 12.754
283 HD12 LEU 35 2HD1 LEU 35 -18.434 8.498 11.846
284 HD13 LEU 35 3HD1 LEU 35 -20.105 8.223 12.393
285 HD21 LEU 35 3HD2 LEU 35 -20.777 5.418 10.017
286 HD22 LEU 35 1HD2 LEU 35 -20.209 5.236 11.694
287 HD23 LEU 35 2HD2 LEU 35 -21.489 6.411 11.311
288 H ARG 36 H ARG 36 -19.934 6.580 6.142
289 HA ARG 36 HA ARG 36 -21.010 8.679 4.533
290 HB2 ARG 36 2HB ARG 36 -21.149 5.640 4.401
291 HB3 ARG 36 1HB ARG 36 -22.011 6.644 3.255
292 HG2 ARG 36 2HG ARG 36 -19.847 7.775 2.695
293 HG3 ARG 36 1HG ARG 36 -19.029 6.594 3.746
294 HD2 ARG 36 2HD ARG 36 -19.744 4.747 2.380
295 HD3 ARG 36 1HD ARG 36 -20.890 5.764 1.483
296 HE ARG 36 HE ARG 36 -18.202 6.744 1.287
297 HH11 ARG 36 2HH2 ARG 36 -20.438 4.383 -0.147
298 HH12 ARG 36 1HH2 ARG 36 -19.503 4.296 -1.664
299 HH21 ARG 36 2HH1 ARG 36 -17.088 6.635 -0.684
300 HH22 ARG 36 1HH1 ARG 36 -17.671 5.530 -1.958
301 H LEU 37 H LEU 37 -22.896 6.144 6.228
302 HA LEU 37 HA LEU 37 -25.138 8.100 6.576
303 HB2 LEU 37 2HB LEU 37 -25.132 6.075 4.586
304 HB3 LEU 37 1HB LEU 37 -26.169 5.509 5.867
305 HG LEU 37 HG LEU 37 -26.420 8.320 4.759
306 HD11 LEU 37 1HD1 LEU 37 -28.181 7.411 3.329
307 HD12 LEU 37 2HD1 LEU 37 -26.604 6.690 2.925
308 HD13 LEU 37 3HD1 LEU 37 -27.791 5.761 3.872
309 HD21 LEU 37 3HD2 LEU 37 -27.497 7.884 6.936
310 HD22 LEU 37 1HD2 LEU 37 -28.686 8.123 5.633
311 HD23 LEU 37 2HD2 LEU 37 -28.337 6.483 6.230
312 HN1 NH2 38 3HN NH2 38 -23.194 7.060 7.159
313 HN2 NH2 38 2HN NH2 38 -24.395 8.289 7.377
Start of MODEL 16
1 H1 ACE 0 2H1 ACE 0 12.885 -5.100 -8.555
2 H2 ACE 0 3H1 ACE 0 12.584 -4.231 -10.079
3 H3 ACE 0 1H1 ACE 0 12.087 -3.509 -8.530
4 H TRP 1 H TRP 1 10.404 -4.477 -7.326
5 HA TRP 1 HA TRP 1 8.255 -5.368 -7.170
6 HB2 TRP 1 2HB TRP 1 8.427 -5.210 -10.189
7 HB3 TRP 1 1HB TRP 1 6.951 -5.595 -9.248
8 HD1 TRP 1 HD TRP 1 8.276 -3.150 -7.210
9 HE1 TRP 1 1HE TRP 1 7.334 -0.702 -7.716
10 HE3 TRP 1 3HE TRP 1 6.204 -4.088 -11.669
11 HZ2 TRP 1 2HZ TRP 1 5.910 0.485 -9.864
12 HZ3 TRP 1 3HZ TRP 1 5.620 -2.330 -13.141
13 HH2 TRP 1 HH TRP 1 5.292 0.052 -12.250
14 HA PRO 2 HA PRO 2 9.974 -9.611 -7.393
15 HB2 PRO 2 2HB PRO 2 9.182 -10.333 -4.939
16 HB3 PRO 2 1HB PRO 2 10.595 -9.301 -5.159
17 HG2 PRO 2 2HG PRO 2 7.744 -8.473 -4.430
18 HG3 PRO 2 1HG PRO 2 9.250 -7.966 -3.671
19 HD2 PRO 2 1HD PRO 2 8.023 -6.444 -5.684
20 HD3 PRO 2 2HD PRO 2 9.837 -6.511 -5.535
21 HA PRO 3 HA PRO 3 6.262 -11.788 -8.599
22 HB2 PRO 3 2HB PRO 3 6.883 -14.352 -7.967
23 HB3 PRO 3 1HB PRO 3 7.601 -13.534 -9.352
24 HG2 PRO 3 2HG PRO 3 8.778 -13.898 -6.552
25 HG3 PRO 3 1HG PRO 3 9.562 -14.182 -8.104
26 HD2 PRO 3 1HD PRO 3 9.884 -11.748 -6.753
27 HD3 PRO 3 2HD PRO 3 9.727 -11.757 -8.576
28 H ARG 4 H ARG 4 4.411 -12.791 -7.791
29 HA ARG 4 HA ARG 4 2.633 -12.669 -6.315
30 HB2 ARG 4 2HB ARG 4 4.730 -14.346 -4.957
31 HB3 ARG 4 1HB ARG 4 3.189 -13.975 -4.142
32 HG2 ARG 4 2HG ARG 4 2.008 -14.815 -6.282
33 HG3 ARG 4 1HG ARG 4 3.567 -15.408 -6.824
34 HD2 ARG 4 2HD ARG 4 3.728 -16.960 -5.097
35 HD3 ARG 4 1HD ARG 4 2.438 -16.154 -4.142
36 HE ARG 4 HE ARG 4 0.832 -17.136 -5.480
37 HH11 ARG 4 2HH2 ARG 4 3.987 -18.029 -6.833
38 HH12 ARG 4 1HH2 ARG 4 3.248 -19.032 -8.110
39 HH21 ARG 4 2HH1 ARG 4 -0.053 -18.447 -7.081
40 HH22 ARG 4 1HH1 ARG 4 1.025 -19.264 -8.244
41 H SER 5 H SER 5 4.273 -10.299 -6.243
42 HA SER 5 HA SER 5 3.187 -9.106 -3.848
43 HB2 SER 5 2HB SER 5 5.347 -10.139 -3.021
44 HB3 SER 5 1HB SER 5 6.223 -9.242 -4.263
45 HG SER 5 HG SER 5 5.636 -8.439 -1.848
46 H TYR 6 H TYR 6 2.907 -7.022 -4.123
47 HA TYR 6 HA TYR 6 4.399 -5.399 -6.171
48 HB2 TYR 6 1HB TYR 6 1.519 -5.890 -6.417
49 HB3 TYR 6 2HB TYR 6 2.270 -4.589 -7.055
50 HD1 TYR 6 2HD TYR 6 4.302 -5.026 -8.655
51 HD2 TYR 6 1HD TYR 6 1.258 -7.880 -7.636
52 HE1 TYR 6 2HE TYR 6 4.892 -6.344 -10.643
53 HE2 TYR 6 1HE TYR 6 1.791 -9.177 -9.674
54 HH TYR 6 HH TYR 6 4.184 -9.315 -11.441
55 H THR 7 H THR 7 3.723 -3.227 -6.277
56 HA THR 7 HA THR 7 3.806 -2.120 -3.560
57 HB THR 7 HB THR 7 4.450 -0.711 -6.234
58 HG1 THR 7 1HG THR 7 6.066 -2.644 -4.856
59 HG21 THR 7 3HG2 THR 7 5.703 -0.504 -3.485
60 HG22 THR 7 1HG2 THR 7 6.124 0.456 -4.924
61 HG23 THR 7 2HG2 THR 7 4.519 0.631 -4.176
62 H CYS 8 H CYS 8 2.506 -0.047 -3.167
63 HA CYS 8 HA CYS 8 -0.019 -0.206 -4.632
64 HB2 CYS 8 2HB CYS 8 0.488 -0.089 -1.937
65 HB3 CYS 8 1HB CYS 8 0.081 1.592 -2.333
66 H SER 9 H SER 9 2.914 1.447 -4.698
67 HA SER 9 HA SER 9 3.816 3.363 -5.549
68 HB2 SER 9 2HB SER 9 3.003 4.663 -7.049
69 HB3 SER 9 1HB SER 9 2.223 3.079 -7.361
70 HG SER 9 HG SER 9 0.318 3.985 -7.132
71 H PHE 10 H PHE 10 0.612 4.271 -4.250
72 HA PHE 10 HA PHE 10 1.349 6.612 -3.032
73 HB2 PHE 10 1HB PHE 10 -0.821 4.882 -3.241
74 HB3 PHE 10 2HB PHE 10 -0.704 5.236 -1.651
75 HD1 PHE 10 2HD PHE 10 -0.709 7.725 -0.931
76 HD2 PHE 10 1HD PHE 10 -2.204 6.070 -4.595
77 HE1 PHE 10 2HE PHE 10 -2.222 9.662 -1.200
78 HE2 PHE 10 1HE PHE 10 -3.811 7.944 -4.795
79 HZ PHE 10 HZ PHE 10 -3.837 9.739 -3.077
80 H CYS 11 H CYS 11 1.195 3.304 -1.307
81 HA CYS 11 HA CYS 11 2.617 4.698 0.850
82 HB2 CYS 11 2HB CYS 11 2.030 2.819 2.255
83 HB3 CYS 11 1HB CYS 11 0.578 3.512 1.505
84 H LYS 12 H LYS 12 3.755 3.668 -1.928
85 HA LYS 12 HA LYS 12 4.920 1.728 -2.781
86 HB2 LYS 12 2HB LYS 12 7.250 2.524 -2.462
87 HB3 LYS 12 1HB LYS 12 6.273 3.950 -2.409
88 HG2 LYS 12 2HG LYS 12 6.380 3.958 0.071
89 HG3 LYS 12 1HG LYS 12 7.317 2.495 0.048
90 HD2 LYS 12 2HD LYS 12 8.795 3.956 -1.636
91 HD3 LYS 12 1HD LYS 12 8.069 5.244 -0.624
92 HE2 LYS 12 2HE LYS 12 8.757 3.861 1.438
93 HE3 LYS 12 1HE LYS 12 9.644 2.792 0.368
94 HZ1 LYS 12 3HZ LYS 12 10.110 5.668 0.695
95 HZ2 LYS 12 1HZ LYS 12 11.029 4.413 1.333
96 HZ3 LYS 12 2HZ LYS 12 10.960 4.642 -0.332
97 H ARG 13 H ARG 13 3.549 0.697 -0.393
98 HA ARG 13 HA ARG 13 5.558 -1.098 0.655
99 HB2 ARG 13 2HB ARG 13 3.835 0.275 1.971
100 HB3 ARG 13 1HB ARG 13 2.587 -0.827 1.302
101 HG2 ARG 13 2HG ARG 13 3.083 -2.465 2.814
102 HG3 ARG 13 1HG ARG 13 4.816 -2.204 2.694
103 HD2 ARG 13 2HD ARG 13 4.141 -1.587 4.963
104 HD3 ARG 13 1HD ARG 13 4.503 -0.099 4.157
105 HE ARG 13 HE ARG 13 1.733 -0.856 4.025
106 HH11 ARG 13 2HH2 ARG 13 4.197 1.137 5.617
107 HH12 ARG 13 1HH2 ARG 13 2.984 2.019 6.583
108 HH21 ARG 13 2HH1 ARG 13 0.225 0.357 5.224
109 HH22 ARG 13 1HH1 ARG 13 0.814 1.595 6.366
110 H GLU 14 H GLU 14 5.639 -3.219 0.458
111 HA GLU 14 HA GLU 14 4.353 -4.409 -1.862
112 HB2 GLU 14 2HB GLU 14 6.666 -5.089 -0.184
113 HB3 GLU 14 1HB GLU 14 5.859 -6.349 -1.159
114 HG2 GLU 14 2HG GLU 14 6.656 -5.426 -3.143
115 HG3 GLU 14 1HG GLU 14 6.200 -3.808 -2.664
116 H PHE 15 H PHE 15 2.671 -5.453 -1.910
117 HA PHE 15 HA PHE 15 1.506 -6.868 0.419
118 HB2 PHE 15 1HB PHE 15 0.454 -5.474 -1.933
119 HB3 PHE 15 2HB PHE 15 -0.422 -6.724 -1.353
120 HD1 PHE 15 2HD PHE 15 1.077 -3.511 -0.322
121 HD2 PHE 15 1HD PHE 15 -1.942 -6.494 0.358
122 HE1 PHE 15 2HE PHE 15 0.161 -2.170 1.553
123 HE2 PHE 15 1HE PHE 15 -2.802 -5.193 2.280
124 HZ PHE 15 HZ PHE 15 -1.585 -3.158 3.025
125 H ARG 16 H ARG 16 0.453 -8.911 0.032
126 HA ARG 16 HA ARG 16 1.720 -10.500 -2.132
127 HB2 ARG 16 2HB ARG 16 1.721 -10.830 0.686
128 HB3 ARG 16 1HB ARG 16 0.521 -11.992 0.122
129 HG2 ARG 16 2HG ARG 16 2.616 -13.172 0.073
130 HG3 ARG 16 1HG ARG 16 2.316 -12.767 -1.601
131 HD2 ARG 16 2HD ARG 16 4.545 -12.195 -1.317
132 HD3 ARG 16 1HD ARG 16 3.745 -10.631 -1.110
133 HE ARG 16 HE ARG 16 5.008 -12.282 0.935
134 HH11 ARG 16 2HH2 ARG 16 3.161 -9.295 0.334
135 HH12 ARG 16 1HH2 ARG 16 3.582 -8.630 1.935
136 HH21 ARG 16 2HH1 ARG 16 5.460 -11.413 2.947
137 HH22 ARG 16 1HH1 ARG 16 4.843 -9.793 3.369
138 H SER 17 H SER 17 -0.542 -9.011 -2.820
139 HA SER 17 HA SER 17 -2.449 -10.983 -3.801
140 HB2 SER 17 2HB SER 17 -4.395 -10.134 -2.546
141 HB3 SER 17 1HB SER 17 -3.278 -11.077 -1.558
142 HG SER 17 HG SER 17 -3.415 -9.390 -0.278
143 H ALA 18 H ALA 18 -3.454 -10.309 -5.500
144 HA ALA 18 HA ALA 18 -3.082 -7.726 -6.700
145 HB1 ALA 18 1HB ALA 18 -4.566 -8.536 -8.373
146 HB2 ALA 18 2HB ALA 18 -3.331 -9.749 -7.958
147 HB3 ALA 18 3HB ALA 18 -4.996 -9.933 -7.357
148 H GLN 19 H GLN 19 -6.192 -9.151 -5.520
149 HA GLN 19 HA GLN 19 -7.631 -6.695 -5.682
150 HB2 GLN 19 2HB GLN 19 -8.098 -9.434 -4.517
151 HB3 GLN 19 1HB GLN 19 -9.153 -8.110 -4.014
152 HG2 GLN 19 2HG GLN 19 -8.802 -8.034 -6.909
153 HG3 GLN 19 1HG GLN 19 -9.338 -9.633 -6.407
154 HE21 GLN 19 2HE2 GLN 19 -10.624 -7.167 -7.762
155 HE22 GLN 19 1HE2 GLN 19 -12.149 -6.969 -6.858
156 H ALA 20 H ALA 20 -6.300 -8.185 -2.655
157 HA ALA 20 HA ALA 20 -6.995 -5.928 -1.108
158 HB1 ALA 20 1HB ALA 20 -5.567 -6.917 0.583
159 HB2 ALA 20 2HB ALA 20 -6.725 -8.063 -0.134
160 HB3 ALA 20 3HB ALA 20 -5.010 -8.117 -0.608
161 H LEU 21 H LEU 21 -4.466 -6.061 -3.491
162 HA LEU 21 HA LEU 21 -3.186 -3.683 -2.378
163 HB2 LEU 21 2HB LEU 21 -2.235 -5.707 -3.760
164 HB3 LEU 21 1HB LEU 21 -2.842 -4.753 -5.150
165 HG LEU 21 HG LEU 21 -1.046 -3.414 -3.110
166 HD11 LEU 21 1HD1 LEU 21 0.853 -4.221 -4.473
167 HD12 LEU 21 2HD1 LEU 21 -0.017 -5.603 -3.765
168 HD13 LEU 21 3HD1 LEU 21 -0.260 -5.180 -5.477
169 HD21 LEU 21 3HD2 LEU 21 -2.120 -2.052 -4.848
170 HD22 LEU 21 1HD2 LEU 21 -0.351 -2.127 -5.023
171 HD23 LEU 21 2HD2 LEU 21 -1.392 -3.093 -6.095
172 H GLY 22 H GLY 22 -5.114 -4.466 -5.441
173 HA2 GLY 22 2HA GLY 22 -5.536 -1.853 -6.352
174 HA3 GLY 22 1HA GLY 22 -6.648 -3.178 -6.588
175 H GLY 23 H GLY 23 -7.677 -3.750 -4.107
176 HA2 GLY 23 2HA GLY 23 -9.494 -1.655 -3.438
177 HA3 GLY 23 1HA GLY 23 -9.161 -3.087 -2.499
178 H HIS 24 H HIS 24 -6.310 -2.623 -1.943
179 HA HIS 24 HA HIS 24 -6.624 -0.932 0.288
180 HB2 HIS 24 2HB HIS 24 -5.179 -2.705 0.498
181 HB3 HIS 24 1HB HIS 24 -4.275 -2.265 -0.985
182 HD1 HIS 24 1HD HIS 24 -3.930 -2.229 2.460
183 HD2 HIS 24 2HD HIS 24 -3.088 0.540 -0.533
184 HE1 HIS 24 1HE HIS 24 -2.172 -0.562 3.473
185 H MET 25 H MET 25 -5.024 -0.473 -2.928
186 HA MET 25 HA MET 25 -4.214 2.207 -2.715
187 HB2 MET 25 2HB MET 25 -3.926 0.308 -4.560
188 HB3 MET 25 1HB MET 25 -5.296 1.141 -5.285
189 HG2 MET 25 2HG MET 25 -4.052 3.267 -5.321
190 HG3 MET 25 1HG MET 25 -2.738 2.576 -4.409
191 HE1 MET 25 3HE MET 25 -3.291 4.000 -7.473
192 HE2 MET 25 1HE MET 25 -3.115 2.820 -8.794
193 HE3 MET 25 2HE MET 25 -4.577 2.808 -7.779
194 H ASN 26 H ASN 26 -7.440 0.936 -3.764
195 HA ASN 26 HA ASN 26 -8.637 3.471 -4.150
196 HB2 ASN 26 2HB ASN 26 -9.483 1.087 -4.835
197 HB3 ASN 26 1HB ASN 26 -10.087 0.954 -3.192
198 HD21 ASN 26 2HD2 ASN 26 -10.346 2.660 -6.262
199 HD22 ASN 26 1HD2 ASN 26 -11.948 3.377 -5.941
200 H VAL 27 H VAL 27 -8.430 1.560 -1.090
201 HA VAL 27 HA VAL 27 -9.862 3.386 0.469
202 HB VAL 27 HB VAL 27 -9.200 1.011 0.892
203 HG11 VAL 27 1HG1 VAL 27 -7.523 0.706 2.641
204 HG12 VAL 27 2HG1 VAL 27 -6.770 1.216 1.111
205 HG13 VAL 27 3HG1 VAL 27 -6.982 2.389 2.433
206 HG21 VAL 27 3HG2 VAL 27 -10.796 2.254 2.105
207 HG22 VAL 27 1HG2 VAL 27 -9.753 1.348 3.227
208 HG23 VAL 27 2HG2 VAL 27 -9.521 3.100 3.014
209 H HIS 28 H HIS 28 -6.643 3.900 -0.867
210 HA HIS 28 HA HIS 28 -5.566 5.650 0.925
211 HB2 HIS 28 2HB HIS 28 -5.425 5.533 -2.053
212 HB3 HIS 28 1HB HIS 28 -4.493 6.701 -1.065
213 HD1 HIS 28 1HD HIS 28 -4.078 4.538 1.222
214 HD2 HIS 28 2HD HIS 28 -3.079 4.170 -2.802
215 HE1 HIS 28 1HE HIS 28 -2.165 2.741 1.101
216 H ARG 29 H ARG 29 -5.331 8.078 0.627
217 HA ARG 29 HA ARG 29 -7.306 9.814 -0.504
218 HB2 ARG 29 2HB ARG 29 -8.399 10.526 1.672
219 HB3 ARG 29 1HB ARG 29 -8.977 9.004 1.077
220 HG2 ARG 29 2HG ARG 29 -7.910 7.780 2.786
221 HG3 ARG 29 1HG ARG 29 -6.736 9.024 3.110
222 HD2 ARG 29 2HD ARG 29 -8.264 9.123 4.907
223 HD3 ARG 29 1HD ARG 29 -8.719 10.481 3.910
224 HE ARG 29 HE ARG 29 -10.194 8.186 3.155
225 HH11 ARG 29 2HH2 ARG 29 -10.028 10.877 5.442
226 HH12 ARG 29 1HH2 ARG 29 -11.693 10.625 6.030
227 HH21 ARG 29 2HH1 ARG 29 -12.365 7.931 3.891
228 HH22 ARG 29 1HH1 ARG 29 -12.978 9.006 5.176
229 H ARG 30 H ARG 30 -6.127 11.530 -0.833
230 HA ARG 30 HA ARG 30 -4.663 13.257 -0.581
231 HB2 ARG 30 2HB ARG 30 -6.058 13.037 1.928
232 HB3 ARG 30 1HB ARG 30 -4.378 13.298 2.333
233 HG2 ARG 30 2HG ARG 30 -4.339 15.301 0.855
234 HG3 ARG 30 1HG ARG 30 -6.043 15.044 0.488
235 HD2 ARG 30 2HD ARG 30 -5.923 16.670 2.260
236 HD3 ARG 30 1HD ARG 30 -6.511 15.171 2.988
237 HE ARG 30 HE ARG 30 -3.696 15.219 3.154
238 HH11 ARG 30 2HH2 ARG 30 -6.582 16.385 4.833
239 HH12 ARG 30 1HH2 ARG 30 -5.646 16.900 6.261
240 HH21 ARG 30 2HH1 ARG 30 -2.564 15.807 5.002
241 HH22 ARG 30 1HH1 ARG 30 -3.435 16.575 6.357
242 H ASP 31 H ASP 31 -2.538 14.022 0.321
243 HA ASP 31 HA ASP 31 -0.677 11.692 0.434
244 HB2 ASP 31 2HB ASP 31 -0.307 14.506 -0.652
245 HB3 ASP 31 1HB ASP 31 1.030 13.424 -0.330
246 H ARG 32 H ARG 32 0.360 11.322 2.220
247 HA ARG 32 HA ARG 32 1.478 13.362 3.989
248 HB2 ARG 32 2HB ARG 32 0.500 12.376 5.994
249 HB3 ARG 32 1HB ARG 32 -0.676 13.302 5.000
250 HG2 ARG 32 2HG ARG 32 -2.009 11.499 4.707
251 HG3 ARG 32 1HG ARG 32 -0.647 10.390 4.487
252 HD2 ARG 32 2HD ARG 32 -0.416 10.027 6.844
253 HD3 ARG 32 1HD ARG 32 -1.221 11.513 7.264
254 HE ARG 32 HE ARG 32 -3.101 10.390 7.375
255 HH11 ARG 32 2HH2 ARG 32 -1.125 8.382 5.198
256 HH12 ARG 32 1HH2 ARG 32 -2.436 7.186 5.011
257 HH21 ARG 32 2HH1 ARG 32 -4.689 8.854 7.114
258 HH22 ARG 32 1HH1 ARG 32 -4.387 7.443 6.064
259 H ALA 33 H ALA 33 3.001 12.558 5.388
260 HA ALA 33 HA ALA 33 4.527 10.261 4.652
261 HB1 ALA 33 1HB ALA 33 5.670 10.744 6.781
262 HB2 ALA 33 2HB ALA 33 5.408 12.228 5.834
263 HB3 ALA 33 3HB ALA 33 4.365 11.868 7.230
264 H ARG 34 H ARG 34 5.023 8.541 6.549
265 HA ARG 34 HA ARG 34 2.640 7.047 7.069
266 HB2 ARG 34 2HB ARG 34 5.171 6.318 6.803
267 HB3 ARG 34 1HB ARG 34 5.256 6.656 8.548
268 HG2 ARG 34 2HG ARG 34 3.072 5.158 8.675
269 HG3 ARG 34 1HG ARG 34 3.586 4.564 7.101
270 HD2 ARG 34 2HD ARG 34 5.715 3.867 7.998
271 HD3 ARG 34 1HD ARG 34 5.295 4.571 9.592
272 HE ARG 34 HE ARG 34 3.207 2.852 8.826
273 HH11 ARG 34 2HH2 ARG 34 6.565 2.544 9.938
274 HH12 ARG 34 1HH2 ARG 34 6.297 0.888 10.543
275 HH21 ARG 34 2HH1 ARG 34 2.939 0.729 9.549
276 HH22 ARG 34 1HH1 ARG 34 4.307 -0.108 10.330
277 H LEU 35 H LEU 35 3.930 6.648 10.048
278 HA LEU 35 HA LEU 35 3.035 7.017 12.161
279 HB2 LEU 35 2HB LEU 35 3.489 9.638 11.077
280 HB3 LEU 35 1HB LEU 35 2.120 9.638 12.139
281 HG LEU 35 HG LEU 35 4.704 8.303 12.932
282 HD11 LEU 35 1HD1 LEU 35 5.241 10.443 14.030
283 HD12 LEU 35 2HD1 LEU 35 5.140 10.648 12.265
284 HD13 LEU 35 3HD1 LEU 35 3.799 11.189 13.302
285 HD21 LEU 35 3HD2 LEU 35 2.684 7.762 14.253
286 HD22 LEU 35 1HD2 LEU 35 3.832 8.757 15.181
287 HD23 LEU 35 2HD2 LEU 35 2.374 9.500 14.481
288 H ARG 36 H ARG 36 1.421 5.453 10.801
289 HA ARG 36 HA ARG 36 -1.340 6.445 10.724
290 HB2 ARG 36 2HB ARG 36 -1.894 4.254 10.010
291 HB3 ARG 36 1HB ARG 36 -0.386 4.717 9.140
292 HG2 ARG 36 2HG ARG 36 0.131 2.544 9.650
293 HG3 ARG 36 1HG ARG 36 0.709 3.298 11.135
294 HD2 ARG 36 2HD ARG 36 -1.468 2.787 12.240
295 HD3 ARG 36 1HD ARG 36 -2.045 2.033 10.756
296 HE ARG 36 HE ARG 36 0.415 0.867 11.452
297 HH11 ARG 36 2HH2 ARG 36 -2.879 0.988 12.792
298 HH12 ARG 36 1HH2 ARG 36 -2.725 -0.633 13.520
299 HH21 ARG 36 2HH1 ARG 36 0.545 -1.184 12.407
300 HH22 ARG 36 1HH1 ARG 36 -0.857 -1.817 13.311
301 H LEU 37 H LEU 37 -3.018 5.687 12.028
302 HA LEU 37 HA LEU 37 -4.072 5.259 14.090
303 HB2 LEU 37 2HB LEU 37 -3.212 3.170 13.993
304 HB3 LEU 37 1HB LEU 37 -1.611 3.730 14.603
305 HG LEU 37 HG LEU 37 -3.989 4.138 16.367
306 HD11 LEU 37 1HD1 LEU 37 -3.748 1.805 17.179
307 HD12 LEU 37 2HD1 LEU 37 -4.246 1.810 15.471
308 HD13 LEU 37 3HD1 LEU 37 -2.553 1.475 15.903
309 HD21 LEU 37 3HD2 LEU 37 -1.729 4.896 17.017
310 HD22 LEU 37 1HD2 LEU 37 -2.325 3.597 18.078
311 HD23 LEU 37 2HD2 LEU 37 -1.121 3.236 16.817
312 HN1 NH2 38 3HN NH2 38 -2.323 5.651 13.263
313 HN2 NH2 38 2HN NH2 38 -3.974 5.809 13.763
Start of MODEL 17
1 H1 ACE 0 2H1 ACE 0 8.994 -6.570 -9.203
2 H2 ACE 0 3H1 ACE 0 7.698 -5.579 -9.914
3 H3 ACE 0 1H1 ACE 0 8.418 -5.115 -8.354
4 H TRP 1 H TRP 1 5.695 -6.148 -9.591
5 HA TRP 1 HA TRP 1 4.446 -6.996 -7.262
6 HB2 TRP 1 2HB TRP 1 3.922 -8.042 -10.054
7 HB3 TRP 1 1HB TRP 1 2.806 -8.122 -8.655
8 HD1 TRP 1 HD TRP 1 3.548 -6.091 -11.546
9 HE1 TRP 1 1HE TRP 1 2.424 -3.672 -11.418
10 HE3 TRP 1 3HE TRP 1 2.569 -6.018 -6.639
11 HZ2 TRP 1 2HZ TRP 1 1.286 -2.108 -9.341
12 HZ3 TRP 1 3HZ TRP 1 1.037 -4.467 -5.720
13 HH2 TRP 1 HH TRP 1 0.441 -2.325 -6.995
14 HA PRO 2 HA PRO 2 6.976 -10.686 -6.473
15 HB2 PRO 2 2HB PRO 2 6.561 -10.697 -3.810
16 HB3 PRO 2 1HB PRO 2 7.713 -9.580 -4.539
17 HG2 PRO 2 2HG PRO 2 4.819 -9.035 -3.709
18 HG3 PRO 2 1HG PRO 2 6.247 -8.067 -3.358
19 HD2 PRO 2 1HD PRO 2 4.598 -7.498 -5.553
20 HD3 PRO 2 2HD PRO 2 6.401 -7.253 -5.662
21 HA PRO 3 HA PRO 3 3.624 -13.565 -6.395
22 HB2 PRO 3 2HB PRO 3 4.949 -15.873 -5.751
23 HB3 PRO 3 1HB PRO 3 5.038 -15.127 -7.347
24 HG2 PRO 3 2HG PRO 3 7.010 -14.874 -5.025
25 HG3 PRO 3 1HG PRO 3 7.363 -15.175 -6.725
26 HD2 PRO 3 1HD PRO 3 7.461 -12.587 -5.641
27 HD3 PRO 3 2HD PRO 3 6.879 -12.854 -7.351
28 H ARG 4 H ARG 4 5.846 -13.635 -3.531
29 HA ARG 4 HA ARG 4 3.720 -14.583 -1.714
30 HB2 ARG 4 2HB ARG 4 6.655 -13.884 -1.343
31 HB3 ARG 4 1HB ARG 4 5.576 -14.105 0.007
32 HG2 ARG 4 2HG ARG 4 4.994 -16.357 -0.918
33 HG3 ARG 4 1HG ARG 4 6.307 -16.108 -2.106
34 HD2 ARG 4 2HD ARG 4 7.907 -15.722 -0.260
35 HD3 ARG 4 1HD ARG 4 6.599 -15.951 0.930
36 HE ARG 4 HE ARG 4 6.632 -18.185 -0.767
37 HH11 ARG 4 2HH2 ARG 4 8.525 -16.864 1.933
38 HH12 ARG 4 1HH2 ARG 4 9.277 -18.444 2.286
39 HH21 ARG 4 2HH1 ARG 4 7.592 -20.159 -0.268
40 HH22 ARG 4 1HH1 ARG 4 8.761 -20.255 1.077
41 H SER 5 H SER 5 2.305 -13.334 -0.860
42 HA SER 5 HA SER 5 1.152 -11.472 -0.086
43 HB2 SER 5 2HB SER 5 3.932 -10.605 0.686
44 HB3 SER 5 1HB SER 5 2.439 -9.778 1.143
45 HG SER 5 HG SER 5 2.041 -11.242 2.635
46 H TYR 6 H TYR 6 0.625 -9.276 -0.377
47 HA TYR 6 HA TYR 6 2.030 -7.908 -2.699
48 HB2 TYR 6 1HB TYR 6 -0.889 -8.162 -2.360
49 HB3 TYR 6 2HB TYR 6 -0.161 -7.157 -3.421
50 HD1 TYR 6 2HD TYR 6 -0.989 -10.597 -2.683
51 HD2 TYR 6 1HD TYR 6 0.930 -7.943 -5.464
52 HE1 TYR 6 2HE TYR 6 -0.961 -12.393 -4.371
53 HE2 TYR 6 1HE TYR 6 0.927 -9.724 -7.173
54 HH TYR 6 HH TYR 6 0.290 -12.889 -6.920
55 H THR 7 H THR 7 2.285 -5.882 -2.769
56 HA THR 7 HA THR 7 2.060 -4.306 -0.318
57 HB THR 7 HB THR 7 3.362 -3.981 -3.007
58 HG1 THR 7 1HG THR 7 4.293 -4.365 -0.285
59 HG21 THR 7 3HG2 THR 7 3.573 -2.047 -0.683
60 HG22 THR 7 1HG2 THR 7 4.568 -2.036 -2.159
61 HG23 THR 7 2HG2 THR 7 2.821 -1.714 -2.261
62 H CYS 8 H CYS 8 1.031 -2.277 -0.191
63 HA CYS 8 HA CYS 8 -1.421 -2.127 -1.780
64 HB2 CYS 8 2HB CYS 8 -1.037 -2.087 0.938
65 HB3 CYS 8 1HB CYS 8 -1.217 -0.367 0.542
66 H SER 9 H SER 9 1.687 -0.797 -1.597
67 HA SER 9 HA SER 9 2.854 0.980 -2.414
68 HB2 SER 9 2HB SER 9 2.281 2.385 -3.941
69 HB3 SER 9 1HB SER 9 1.341 0.907 -4.313
70 HG SER 9 HG SER 9 -0.430 2.066 -4.236
71 H PHE 10 H PHE 10 -0.280 2.228 -1.298
72 HA PHE 10 HA PHE 10 0.632 4.453 -0.026
73 HB2 PHE 10 1HB PHE 10 -1.680 2.996 -0.489
74 HB3 PHE 10 2HB PHE 10 -1.709 3.261 1.122
75 HD1 PHE 10 2HD PHE 10 -1.076 5.915 1.696
76 HD2 PHE 10 1HD PHE 10 -3.244 4.194 -1.582
77 HE1 PHE 10 2HE PHE 10 -2.340 8.011 1.419
78 HE2 PHE 10 1HE PHE 10 -4.610 6.248 -1.772
79 HZ PHE 10 HZ PHE 10 -4.094 8.206 -0.332
80 H CYS 11 H CYS 11 0.086 1.180 1.634
81 HA CYS 11 HA CYS 11 1.407 2.425 3.935
82 HB2 CYS 11 2HB CYS 11 0.684 0.455 5.183
83 HB3 CYS 11 1HB CYS 11 -0.686 1.286 4.423
84 H LYS 12 H LYS 12 2.658 1.374 1.150
85 HA LYS 12 HA LYS 12 3.792 -0.632 0.346
86 HB2 LYS 12 2HB LYS 12 6.127 -0.161 1.074
87 HB3 LYS 12 1HB LYS 12 5.246 1.266 0.432
88 HG2 LYS 12 2HG LYS 12 5.038 2.202 2.679
89 HG3 LYS 12 1HG LYS 12 5.660 0.747 3.417
90 HD2 LYS 12 2HD LYS 12 7.363 2.232 1.421
91 HD3 LYS 12 1HD LYS 12 7.227 2.791 3.086
92 HE2 LYS 12 2HE LYS 12 8.111 0.730 3.950
93 HE3 LYS 12 1HE LYS 12 7.958 -0.074 2.381
94 HZ1 LYS 12 3HZ LYS 12 9.713 2.214 2.984
95 HZ2 LYS 12 1HZ LYS 12 10.189 0.610 2.811
96 HZ3 LYS 12 2HZ LYS 12 9.567 1.449 1.493
97 H ARG 13 H ARG 13 2.277 -1.496 2.716
98 HA ARG 13 HA ARG 13 4.100 -3.480 3.812
99 HB2 ARG 13 2HB ARG 13 1.881 -1.930 4.744
100 HB3 ARG 13 1HB ARG 13 1.333 -3.609 4.740
101 HG2 ARG 13 2HG ARG 13 4.078 -3.276 5.850
102 HG3 ARG 13 1HG ARG 13 2.849 -2.451 6.770
103 HD2 ARG 13 2HD ARG 13 2.316 -5.287 5.944
104 HD3 ARG 13 1HD ARG 13 3.456 -4.959 7.253
105 HE ARG 13 HE ARG 13 0.583 -4.535 7.245
106 HH11 ARG 13 2HH2 ARG 13 3.608 -3.745 8.944
107 HH12 ARG 13 1HH2 ARG 13 2.755 -3.391 10.471
108 HH21 ARG 13 2HH1 ARG 13 -0.443 -4.048 9.231
109 HH22 ARG 13 1HH1 ARG 13 0.553 -3.556 10.626
110 H GLU 14 H GLU 14 4.042 -5.509 3.606
111 HA GLU 14 HA GLU 14 2.716 -6.713 1.283
112 HB2 GLU 14 2HB GLU 14 4.867 -7.649 3.227
113 HB3 GLU 14 1HB GLU 14 4.215 -8.656 1.949
114 HG2 GLU 14 2HG GLU 14 5.011 -7.130 0.240
115 HG3 GLU 14 1HG GLU 14 5.484 -5.938 1.455
116 H PHE 15 H PHE 15 0.749 -7.466 1.486
117 HA PHE 15 HA PHE 15 -0.053 -8.885 3.988
118 HB2 PHE 15 1HB PHE 15 -1.721 -7.820 1.808
119 HB3 PHE 15 2HB PHE 15 -2.243 -8.427 3.231
120 HD1 PHE 15 2HD PHE 15 -1.933 -7.225 5.359
121 HD2 PHE 15 1HD PHE 15 -1.122 -5.491 1.510
122 HE1 PHE 15 2HE PHE 15 -2.173 -4.955 6.329
123 HE2 PHE 15 1HE PHE 15 -1.552 -3.238 2.449
124 HZ PHE 15 HZ PHE 15 -1.769 -2.960 4.900
125 H ARG 16 H ARG 16 -0.745 -10.895 4.023
126 HA ARG 16 HA ARG 16 -0.324 -12.600 1.708
127 HB2 ARG 16 2HB ARG 16 0.219 -12.903 4.364
128 HB3 ARG 16 1HB ARG 16 -1.400 -13.598 4.361
129 HG2 ARG 16 2HG ARG 16 -0.504 -14.997 2.295
130 HG3 ARG 16 1HG ARG 16 1.078 -14.580 2.937
131 HD2 ARG 16 2HD ARG 16 0.691 -16.529 4.056
132 HD3 ARG 16 1HD ARG 16 -0.004 -15.377 5.226
133 HE ARG 16 HE ARG 16 -1.907 -16.234 3.240
134 HH11 ARG 16 2HH2 ARG 16 -0.816 -16.780 6.553
135 HH12 ARG 16 1HH2 ARG 16 -2.093 -17.984 6.872
136 HH21 ARG 16 2HH1 ARG 16 -3.557 -17.713 3.706
137 HH22 ARG 16 1HH1 ARG 16 -3.602 -18.492 5.310
138 H SER 17 H SER 17 -2.328 -11.004 0.980
139 HA SER 17 HA SER 17 -4.617 -12.795 0.580
140 HB2 SER 17 2HB SER 17 -4.813 -10.416 2.384
141 HB3 SER 17 1HB SER 17 -6.172 -10.875 1.339
142 HG SER 17 HG SER 17 -4.819 -12.857 2.926
143 H ALA 18 H ALA 18 -6.359 -11.509 -0.666
144 HA ALA 18 HA ALA 18 -5.151 -9.538 -2.601
145 HB1 ALA 18 1HB ALA 18 -6.452 -10.537 -4.336
146 HB2 ALA 18 2HB ALA 18 -5.293 -11.692 -3.637
147 HB3 ALA 18 3HB ALA 18 -7.019 -11.799 -3.217
148 H GLN 19 H GLN 19 -8.434 -10.818 -1.796
149 HA GLN 19 HA GLN 19 -9.818 -8.459 -2.315
150 HB2 GLN 19 2HB GLN 19 -10.400 -10.875 -0.535
151 HB3 GLN 19 1HB GLN 19 -11.602 -9.617 -0.869
152 HG2 GLN 19 2HG GLN 19 -11.879 -10.310 -3.106
153 HG3 GLN 19 1HG GLN 19 -10.226 -10.822 -3.277
154 HE21 GLN 19 2HE2 GLN 19 -10.705 -12.707 -4.220
155 HE22 GLN 19 1HE2 GLN 19 -11.459 -14.062 -3.339
156 H ALA 20 H ALA 20 -8.649 -9.566 0.909
157 HA ALA 20 HA ALA 20 -9.335 -7.407 2.506
158 HB1 ALA 20 1HB ALA 20 -7.419 -7.959 3.822
159 HB2 ALA 20 2HB ALA 20 -8.280 -9.427 3.300
160 HB3 ALA 20 3HB ALA 20 -6.761 -8.955 2.502
161 H LEU 21 H LEU 21 -6.941 -7.347 -0.128
162 HA LEU 21 HA LEU 21 -5.606 -4.866 0.803
163 HB2 LEU 21 2HB LEU 21 -5.184 -6.744 -1.484
164 HB3 LEU 21 1HB LEU 21 -4.398 -5.142 -1.333
165 HG LEU 21 HG LEU 21 -3.539 -5.922 0.909
166 HD11 LEU 21 1HD1 LEU 21 -3.375 -8.338 1.285
167 HD12 LEU 21 2HD1 LEU 21 -5.066 -7.783 1.293
168 HD13 LEU 21 3HD1 LEU 21 -4.414 -8.630 -0.130
169 HD21 LEU 21 3HD2 LEU 21 -2.168 -5.818 -1.154
170 HD22 LEU 21 1HD2 LEU 21 -1.707 -7.226 -0.168
171 HD23 LEU 21 2HD2 LEU 21 -2.725 -7.445 -1.611
172 H GLY 22 H GLY 22 -7.545 -5.937 -2.137
173 HA2 GLY 22 2HA GLY 22 -7.876 -3.486 -3.338
174 HA3 GLY 22 1HA GLY 22 -9.128 -4.730 -3.278
175 H GLY 23 H GLY 23 -9.988 -4.866 -0.722
176 HA2 GLY 23 2HA GLY 23 -11.504 -2.524 -0.111
177 HA3 GLY 23 1HA GLY 23 -11.208 -3.853 0.962
178 H HIS 24 H HIS 24 -8.314 -3.641 1.218
179 HA HIS 24 HA HIS 24 -8.369 -1.766 3.328
180 HB2 HIS 24 2HB HIS 24 -7.166 -3.666 3.710
181 HB3 HIS 24 1HB HIS 24 -6.285 -3.547 2.155
182 HD1 HIS 24 1HD HIS 24 -5.712 -3.230 5.534
183 HD2 HIS 24 2HD HIS 24 -4.707 -0.877 2.250
184 HE1 HIS 24 1HE HIS 24 -3.678 -1.747 6.285
185 H MET 25 H MET 25 -6.814 -1.774 0.059
186 HA MET 25 HA MET 25 -5.560 0.750 0.086
187 HB2 MET 25 2HB MET 25 -5.754 -1.361 -1.672
188 HB3 MET 25 1HB MET 25 -6.773 -0.186 -2.461
189 HG2 MET 25 2HG MET 25 -4.085 0.607 -1.416
190 HG3 MET 25 1HG MET 25 -4.286 -0.254 -2.979
191 HE1 MET 25 3HE MET 25 -5.554 0.673 -4.997
192 HE2 MET 25 1HE MET 25 -4.969 2.291 -5.450
193 HE3 MET 25 2HE MET 25 -3.819 1.054 -4.888
194 H ASN 26 H ASN 26 -8.960 -0.119 -0.769
195 HA ASN 26 HA ASN 26 -9.784 2.523 -1.412
196 HB2 ASN 26 2HB ASN 26 -10.961 0.232 -1.889
197 HB3 ASN 26 1HB ASN 26 -11.547 0.316 -0.236
198 HD21 ASN 26 2HD2 ASN 26 -11.589 1.839 -3.419
199 HD22 ASN 26 1HD2 ASN 26 -13.087 2.771 -3.157
200 H VAL 27 H VAL 27 -9.769 0.870 1.802
201 HA VAL 27 HA VAL 27 -10.923 2.987 3.212
202 HB VAL 27 HB VAL 27 -10.501 0.593 3.843
203 HG11 VAL 27 1HG1 VAL 27 -8.851 0.298 5.620
204 HG12 VAL 27 2HG1 VAL 27 -8.060 0.579 4.051
205 HG13 VAL 27 3HG1 VAL 27 -8.149 1.891 5.251
206 HG21 VAL 27 3HG2 VAL 27 -11.955 2.108 4.927
207 HG22 VAL 27 1HG2 VAL 27 -10.998 1.218 6.135
208 HG23 VAL 27 2HG2 VAL 27 -10.593 2.906 5.747
209 H HIS 28 H HIS 28 -7.679 2.949 1.810
210 HA HIS 28 HA HIS 28 -6.352 4.698 3.446
211 HB2 HIS 28 2HB HIS 28 -6.216 4.269 0.492
212 HB3 HIS 28 1HB HIS 28 -5.105 5.340 1.402
213 HD1 HIS 28 1HD HIS 28 -5.099 3.329 3.866
214 HD2 HIS 28 2HD HIS 28 -4.126 2.476 -0.092
215 HE1 HIS 28 1HE HIS 28 -3.523 1.227 3.931
216 H ARG 29 H ARG 29 -5.952 7.030 3.257
217 HA ARG 29 HA ARG 29 -7.398 8.866 1.560
218 HB2 ARG 29 2HB ARG 29 -8.819 9.890 3.247
219 HB3 ARG 29 1HB ARG 29 -9.338 8.214 2.884
220 HG2 ARG 29 2HG ARG 29 -8.073 7.521 5.014
221 HG3 ARG 29 1HG ARG 29 -7.945 9.232 5.396
222 HD2 ARG 29 2HD ARG 29 -9.963 9.045 6.368
223 HD3 ARG 29 1HD ARG 29 -10.657 8.890 4.750
224 HE ARG 29 HE ARG 29 -10.891 6.634 5.050
225 HH11 ARG 29 2HH2 ARG 29 -8.358 7.527 7.323
226 HH12 ARG 29 1HH2 ARG 29 -8.619 6.081 8.334
227 HH21 ARG 29 2HH1 ARG 29 -11.162 4.774 6.321
228 HH22 ARG 29 1HH1 ARG 29 -10.155 4.565 7.779
229 H ARG 30 H ARG 30 -4.865 8.886 1.588
230 HA ARG 30 HA ARG 30 -4.250 11.272 3.202
231 HB2 ARG 30 2HB ARG 30 -3.447 8.793 4.089
232 HB3 ARG 30 1HB ARG 30 -2.086 9.215 3.034
233 HG2 ARG 30 2HG ARG 30 -1.728 11.305 4.245
234 HG3 ARG 30 1HG ARG 30 -3.184 11.039 5.216
235 HD2 ARG 30 2HD ARG 30 -2.209 9.028 6.184
236 HD3 ARG 30 1HD ARG 30 -0.747 9.241 5.167
237 HE ARG 30 HE ARG 30 -1.323 11.632 6.604
238 HH11 ARG 30 2HH2 ARG 30 -0.192 8.375 7.440
239 HH12 ARG 30 1HH2 ARG 30 0.830 8.983 8.769
240 HH21 ARG 30 2HH1 ARG 30 -0.002 12.355 8.280
241 HH22 ARG 30 1HH1 ARG 30 0.932 11.171 9.232
242 H ASP 31 H ASP 31 -4.059 12.751 1.772
243 HA ASP 31 HA ASP 31 -2.661 12.419 -0.763
244 HB2 ASP 31 2HB ASP 31 -4.499 14.261 0.230
245 HB3 ASP 31 1HB ASP 31 -3.031 15.173 0.148
246 H ARG 32 H ARG 32 -1.808 14.148 2.282
247 HA ARG 32 HA ARG 32 0.120 15.175 3.014
248 HB2 ARG 32 2HB ARG 32 1.261 12.633 1.782
249 HB3 ARG 32 1HB ARG 32 2.220 13.784 2.705
250 HG2 ARG 32 2HG ARG 32 0.631 13.449 4.664
251 HG3 ARG 32 1HG ARG 32 -0.191 12.214 3.745
252 HD2 ARG 32 2HD ARG 32 2.798 12.038 4.248
253 HD3 ARG 32 1HD ARG 32 1.623 11.449 5.400
254 HE ARG 32 HE ARG 32 0.900 10.342 2.976
255 HH11 ARG 32 2HH2 ARG 32 3.929 10.349 4.823
256 HH12 ARG 32 1HH2 ARG 32 4.279 8.647 4.417
257 HH21 ARG 32 2HH1 ARG 32 1.434 8.199 2.434
258 HH22 ARG 32 1HH1 ARG 32 2.918 7.474 3.110
259 H ALA 33 H ALA 33 2.015 16.348 2.707
260 HA ALA 33 HA ALA 33 2.155 17.410 -0.073
261 HB1 ALA 33 1HB ALA 33 3.021 19.429 0.949
262 HB2 ALA 33 2HB ALA 33 1.403 19.005 1.556
263 HB3 ALA 33 3HB ALA 33 2.839 18.697 2.561
264 H ARG 34 H ARG 34 3.376 15.158 -0.131
265 HA ARG 34 HA ARG 34 6.226 15.414 0.554
266 HB2 ARG 34 2HB ARG 34 4.349 13.269 0.002
267 HB3 ARG 34 1HB ARG 34 5.762 13.145 -1.067
268 HG2 ARG 34 2HG ARG 34 5.969 13.530 1.965
269 HG3 ARG 34 1HG ARG 34 6.057 11.961 1.174
270 HD2 ARG 34 2HD ARG 34 8.113 12.432 0.164
271 HD3 ARG 34 1HD ARG 34 7.888 14.187 0.278
272 HE ARG 34 HE ARG 34 7.891 13.052 2.869
273 HH11 ARG 34 2HH2 ARG 34 10.173 13.885 0.270
274 HH12 ARG 34 1HH2 ARG 34 11.540 14.032 1.407
275 HH21 ARG 34 2HH1 ARG 34 9.646 13.318 4.269
276 HH22 ARG 34 1HH1 ARG 34 11.250 13.722 3.601
277 H LEU 35 H LEU 35 4.365 15.833 -2.354
278 HA LEU 35 HA LEU 35 4.921 16.550 -4.471
279 HB2 LEU 35 2HB LEU 35 7.453 17.615 -3.310
280 HB3 LEU 35 1HB LEU 35 6.472 18.208 -4.691
281 HG LEU 35 HG LEU 35 5.532 18.337 -1.783
282 HD11 LEU 35 1HD1 LEU 35 6.152 20.673 -1.866
283 HD12 LEU 35 2HD1 LEU 35 7.579 19.629 -2.063
284 HD13 LEU 35 3HD1 LEU 35 6.873 20.447 -3.477
285 HD21 LEU 35 3HD2 LEU 35 3.735 18.367 -3.460
286 HD22 LEU 35 1HD2 LEU 35 3.933 19.931 -2.633
287 HD23 LEU 35 2HD2 LEU 35 4.548 19.716 -4.289
288 H ARG 36 H ARG 36 5.110 14.615 -5.512
289 HA ARG 36 HA ARG 36 6.062 12.706 -6.447
290 HB2 ARG 36 2HB ARG 36 7.622 13.311 -8.149
291 HB3 ARG 36 1HB ARG 36 6.434 14.650 -7.985
292 HG2 ARG 36 2HG ARG 36 8.158 15.981 -6.761
293 HG3 ARG 36 1HG ARG 36 9.314 14.683 -6.962
294 HD2 ARG 36 2HD ARG 36 9.815 16.174 -8.717
295 HD3 ARG 36 1HD ARG 36 8.869 14.939 -9.525
296 HE ARG 36 HE ARG 36 8.031 17.650 -8.841
297 HH11 ARG 36 2HH2 ARG 36 6.974 14.539 -10.176
298 HH12 ARG 36 1HH2 ARG 36 5.738 15.304 -11.209
299 HH21 ARG 36 2HH1 ARG 36 6.383 18.562 -10.101
300 HH22 ARG 36 1HH1 ARG 36 5.412 17.510 -11.165
301 H LEU 37 H LEU 37 6.603 12.476 -3.871
302 HA LEU 37 HA LEU 37 8.997 10.785 -4.038
303 HB2 LEU 37 2HB LEU 37 8.837 13.275 -2.412
304 HB3 LEU 37 1HB LEU 37 9.562 11.871 -1.648
305 HG LEU 37 HG LEU 37 10.406 12.546 -4.445
306 HD11 LEU 37 1HD1 LEU 37 12.084 14.110 -3.551
307 HD12 LEU 37 2HD1 LEU 37 10.432 14.708 -3.265
308 HD13 LEU 37 3HD1 LEU 37 11.356 13.974 -1.933
309 HD21 LEU 37 3HD2 LEU 37 11.230 10.504 -3.305
310 HD22 LEU 37 1HD2 LEU 37 12.548 11.671 -3.569
311 HD23 LEU 37 2HD2 LEU 37 11.822 11.500 -1.953
312 HN1 NH2 38 3HN NH2 38 6.745 8.605 -2.485
313 HN2 NH2 38 2HN NH2 38 8.029 8.871 -3.616
Start of MODEL 18
1 H1 ACE 0 2H1 ACE 0 9.819 -5.080 -8.621
2 H2 ACE 0 3H1 ACE 0 9.135 -5.578 -10.188
3 H3 ACE 0 1H1 ACE 0 8.849 -3.932 -9.575
4 H TRP 1 H TRP 1 7.821 -7.181 -9.667
5 HA TRP 1 HA TRP 1 6.011 -6.939 -7.340
6 HB2 TRP 1 2HB TRP 1 5.154 -6.073 -9.893
7 HB3 TRP 1 1HB TRP 1 4.414 -7.678 -9.595
8 HD1 TRP 1 HD TRP 1 5.015 -5.213 -6.811
9 HE1 TRP 1 1HE TRP 1 2.679 -4.518 -5.726
10 HE3 TRP 1 3HE TRP 1 2.008 -7.721 -9.928
11 HZ2 TRP 1 2HZ TRP 1 -0.042 -5.079 -6.314
12 HZ3 TRP 1 3HZ TRP 1 -0.301 -7.220 -10.067
13 HH2 TRP 1 HH TRP 1 -1.477 -5.992 -8.149
14 HA PRO 2 HA PRO 2 7.537 -11.211 -7.815
15 HB2 PRO 2 2HB PRO 2 7.768 -11.682 -5.177
16 HB3 PRO 2 1HB PRO 2 8.980 -10.712 -6.011
17 HG2 PRO 2 2HG PRO 2 6.590 -9.738 -4.363
18 HG3 PRO 2 1HG PRO 2 8.267 -9.217 -4.248
19 HD2 PRO 2 1HD PRO 2 6.410 -7.828 -5.821
20 HD3 PRO 2 2HD PRO 2 8.147 -7.970 -6.346
21 HA PRO 3 HA PRO 3 3.655 -13.213 -7.233
22 HB2 PRO 3 2HB PRO 3 4.378 -15.821 -6.781
23 HB3 PRO 3 1HB PRO 3 4.469 -15.057 -8.367
24 HG2 PRO 3 2HG PRO 3 6.703 -15.434 -6.316
25 HG3 PRO 3 1HG PRO 3 6.752 -15.750 -8.049
26 HD2 PRO 3 1HD PRO 3 7.675 -13.324 -6.982
27 HD3 PRO 3 2HD PRO 3 6.813 -13.351 -8.593
28 H ARG 4 H ARG 4 6.044 -14.211 -4.722
29 HA ARG 4 HA ARG 4 4.101 -14.692 -2.623
30 HB2 ARG 4 2HB ARG 4 6.255 -14.781 -1.216
31 HB3 ARG 4 1HB ARG 4 6.215 -15.941 -2.511
32 HG2 ARG 4 2HG ARG 4 7.793 -14.698 -3.820
33 HG3 ARG 4 1HG ARG 4 7.579 -13.249 -2.881
34 HD2 ARG 4 2HD ARG 4 8.590 -14.230 -0.982
35 HD3 ARG 4 1HD ARG 4 8.693 -15.820 -1.837
36 HE ARG 4 HE ARG 4 9.935 -13.335 -2.938
37 HH11 ARG 4 2HH2 ARG 4 10.525 -16.580 -1.657
38 HH12 ARG 4 1HH2 ARG 4 12.075 -16.743 -2.526
39 HH21 ARG 4 2HH1 ARG 4 11.939 -13.552 -3.977
40 HH22 ARG 4 1HH1 ARG 4 12.855 -15.073 -3.801
41 H SER 5 H SER 5 2.983 -13.288 -1.591
42 HA SER 5 HA SER 5 2.189 -11.258 -0.771
43 HB2 SER 5 2HB SER 5 5.094 -10.942 -0.084
44 HB3 SER 5 1HB SER 5 3.838 -9.785 0.350
45 HG SER 5 HG SER 5 4.420 -11.568 1.899
46 H TYR 6 H TYR 6 1.866 -9.108 -1.093
47 HA TYR 6 HA TYR 6 3.441 -7.788 -3.305
48 HB2 TYR 6 1HB TYR 6 0.499 -8.046 -3.212
49 HB3 TYR 6 2HB TYR 6 1.271 -6.943 -4.137
50 HD1 TYR 6 1HD TYR 6 2.676 -7.572 -6.027
51 HD2 TYR 6 2HD TYR 6 0.447 -10.471 -3.809
52 HE1 TYR 6 1HE TYR 6 2.635 -9.029 -8.014
53 HE2 TYR 6 2HE TYR 6 0.497 -11.992 -5.746
54 HH TYR 6 HH TYR 6 1.795 -12.136 -8.316
55 H THR 7 H THR 7 3.799 -5.757 -3.287
56 HA THR 7 HA THR 7 3.423 -4.173 -0.898
57 HB THR 7 HB THR 7 4.578 -3.627 -3.627
58 HG1 THR 7 1HG THR 7 5.547 -4.614 -1.097
59 HG21 THR 7 3HG2 THR 7 4.971 -2.046 -1.069
60 HG22 THR 7 1HG2 THR 7 5.851 -1.812 -2.598
61 HG23 THR 7 2HG2 THR 7 4.102 -1.494 -2.521
62 H CYS 8 H CYS 8 2.338 -2.193 -0.671
63 HA CYS 8 HA CYS 8 -0.121 -2.016 -2.245
64 HB2 CYS 8 2HB CYS 8 0.290 -2.012 0.475
65 HB3 CYS 8 1HB CYS 8 0.072 -0.292 0.097
66 H SER 9 H SER 9 3.003 -0.629 -2.024
67 HA SER 9 HA SER 9 4.094 1.223 -2.803
68 HB2 SER 9 2HB SER 9 3.461 2.612 -4.407
69 HB3 SER 9 1HB SER 9 2.602 1.163 -4.793
70 HG SER 9 HG SER 9 0.846 2.234 -4.723
71 H PHE 10 H PHE 10 0.879 2.494 -1.745
72 HA PHE 10 HA PHE 10 1.741 4.686 -0.277
73 HB2 PHE 10 1HB PHE 10 -0.561 2.931 -0.065
74 HB3 PHE 10 2HB PHE 10 -0.298 4.035 1.109
75 HD1 PHE 10 2HD PHE 10 -1.257 3.554 -2.345
76 HD2 PHE 10 1HD PHE 10 -0.804 6.306 0.917
77 HE1 PHE 10 2HE PHE 10 -2.776 5.150 -3.479
78 HE2 PHE 10 1HE PHE 10 -2.359 7.885 -0.196
79 HZ PHE 10 HZ PHE 10 -3.323 7.318 -2.409
80 H CYS 11 H CYS 11 1.596 1.241 1.089
81 HA CYS 11 HA CYS 11 2.852 2.531 3.420
82 HB2 CYS 11 2HB CYS 11 2.116 0.561 4.704
83 HB3 CYS 11 1HB CYS 11 0.764 1.491 4.031
84 H LYS 12 H LYS 12 4.136 1.548 0.704
85 HA LYS 12 HA LYS 12 5.207 -0.479 -0.166
86 HB2 LYS 12 2HB LYS 12 7.492 -0.029 0.350
87 HB3 LYS 12 1HB LYS 12 6.623 1.544 0.257
88 HG2 LYS 12 2HG LYS 12 7.107 0.259 2.913
89 HG3 LYS 12 1HG LYS 12 8.434 1.125 2.075
90 HD2 LYS 12 2HD LYS 12 7.333 3.200 2.241
91 HD3 LYS 12 1HD LYS 12 5.756 2.455 2.540
92 HE2 LYS 12 2HE LYS 12 6.614 1.629 4.773
93 HE3 LYS 12 1HE LYS 12 8.130 2.457 4.479
94 HZ1 LYS 12 3HZ LYS 12 5.487 3.718 4.639
95 HZ2 LYS 12 1HZ LYS 12 6.685 3.722 5.818
96 HZ3 LYS 12 2HZ LYS 12 6.941 4.513 4.357
97 H ARG 13 H ARG 13 3.624 -1.410 2.156
98 HA ARG 13 HA ARG 13 5.339 -3.502 3.205
99 HB2 ARG 13 2HB ARG 13 2.891 -2.051 4.000
100 HB3 ARG 13 1HB ARG 13 2.665 -3.776 4.162
101 HG2 ARG 13 2HG ARG 13 4.502 -3.971 5.713
102 HG3 ARG 13 1HG ARG 13 5.112 -2.384 5.329
103 HD2 ARG 13 2HD ARG 13 4.039 -2.252 7.399
104 HD3 ARG 13 1HD ARG 13 2.977 -1.422 6.218
105 HE ARG 13 HE ARG 13 2.473 -3.974 7.587
106 HH11 ARG 13 2HH2 ARG 13 1.254 -1.471 5.388
107 HH12 ARG 13 1HH2 ARG 13 -0.446 -1.944 5.653
108 HH21 ARG 13 2HH1 ARG 13 0.306 -4.585 7.837
109 HH22 ARG 13 1HH1 ARG 13 -0.966 -3.657 6.999
110 H GLU 14 H GLU 14 4.973 -5.596 3.206
111 HA GLU 14 HA GLU 14 3.846 -6.767 0.736
112 HB2 GLU 14 2HB GLU 14 5.807 -7.705 2.881
113 HB3 GLU 14 1HB GLU 14 5.147 -8.794 1.697
114 HG2 GLU 14 2HG GLU 14 6.447 -6.248 0.743
115 HG3 GLU 14 1HG GLU 14 7.429 -7.608 1.259
116 H PHE 15 H PHE 15 1.804 -7.259 0.782
117 HA PHE 15 HA PHE 15 0.612 -8.658 3.120
118 HB2 PHE 15 1HB PHE 15 -0.451 -7.264 0.771
119 HB3 PHE 15 2HB PHE 15 -1.373 -8.362 1.551
120 HD1 PHE 15 2HD PHE 15 0.445 -5.196 2.058
121 HD2 PHE 15 1HD PHE 15 -2.697 -7.832 3.338
122 HE1 PHE 15 2HE PHE 15 -0.184 -3.595 3.844
123 HE2 PHE 15 1HE PHE 15 -3.286 -6.258 5.161
124 HZ PHE 15 HZ PHE 15 -1.866 -4.263 5.546
125 H ARG 16 H ARG 16 0.035 -10.677 3.105
126 HA ARG 16 HA ARG 16 0.591 -12.371 0.783
127 HB2 ARG 16 2HB ARG 16 0.428 -14.205 2.531
128 HB3 ARG 16 1HB ARG 16 1.467 -12.945 3.138
129 HG2 ARG 16 2HG ARG 16 -0.380 -12.044 4.523
130 HG3 ARG 16 1HG ARG 16 -1.485 -13.216 3.861
131 HD2 ARG 16 2HD ARG 16 0.555 -14.838 4.738
132 HD3 ARG 16 1HD ARG 16 0.559 -13.523 5.927
133 HE ARG 16 HE ARG 16 -1.358 -15.573 5.649
134 HH11 ARG 16 2HH2 ARG 16 -1.366 -12.094 6.438
135 HH12 ARG 16 1HH2 ARG 16 -2.899 -12.239 7.339
136 HH21 ARG 16 2HH1 ARG 16 -3.271 -15.675 6.798
137 HH22 ARG 16 1HH1 ARG 16 -3.938 -14.194 7.535
138 H SER 17 H SER 17 -1.722 -10.631 0.532
139 HA SER 17 HA SER 17 -3.931 -12.585 0.195
140 HB2 SER 17 2HB SER 17 -5.485 -11.190 1.478
141 HB3 SER 17 1HB SER 17 -4.250 -11.915 2.503
142 HG SER 17 HG SER 17 -4.214 -9.858 3.166
143 H ALA 18 H ALA 18 -5.134 -12.207 -1.485
144 HA ALA 18 HA ALA 18 -4.632 -10.106 -3.381
145 HB1 ALA 18 1HB ALA 18 -6.414 -11.076 -4.608
146 HB2 ALA 18 2HB ALA 18 -5.258 -12.300 -4.031
147 HB3 ALA 18 3HB ALA 18 -6.834 -12.115 -3.225
148 H GLN 19 H GLN 19 -7.886 -10.724 -2.017
149 HA GLN 19 HA GLN 19 -8.866 -8.156 -2.429
150 HB2 GLN 19 2HB GLN 19 -10.150 -10.291 -2.003
151 HB3 GLN 19 1HB GLN 19 -9.716 -10.132 -0.272
152 HG2 GLN 19 2HG GLN 19 -11.950 -9.216 -0.435
153 HG3 GLN 19 1HG GLN 19 -10.932 -7.812 -0.390
154 HE21 GLN 19 2HE2 GLN 19 -13.579 -8.947 -1.672
155 HE22 GLN 19 1HE2 GLN 19 -13.557 -8.141 -3.264
156 H ALA 20 H ALA 20 -7.654 -9.479 0.731
157 HA ALA 20 HA ALA 20 -7.956 -7.091 2.153
158 HB1 ALA 20 1HB ALA 20 -6.560 -8.142 3.828
159 HB2 ALA 20 2HB ALA 20 -7.879 -9.175 3.228
160 HB3 ALA 20 3HB ALA 20 -6.209 -9.459 2.684
161 H LEU 21 H LEU 21 -5.398 -7.725 -0.228
162 HA LEU 21 HA LEU 21 -4.000 -5.294 0.628
163 HB2 LEU 21 2HB LEU 21 -2.952 -7.377 -0.376
164 HB3 LEU 21 1HB LEU 21 -3.681 -6.840 -1.926
165 HG LEU 21 HG LEU 21 -1.894 -5.037 -0.319
166 HD11 LEU 21 1HD1 LEU 21 -0.052 -5.976 -1.803
167 HD12 LEU 21 2HD1 LEU 21 -0.760 -7.254 -0.787
168 HD13 LEU 21 3HD1 LEU 21 -1.229 -7.116 -2.498
169 HD21 LEU 21 3HD2 LEU 21 -3.092 -3.983 -2.185
170 HD22 LEU 21 1HD2 LEU 21 -1.340 -4.053 -2.493
171 HD23 LEU 21 2HD2 LEU 21 -2.433 -5.201 -3.302
172 H GLY 22 H GLY 22 -5.887 -6.336 -2.387
173 HA2 GLY 22 2HA GLY 22 -5.960 -3.882 -3.699
174 HA3 GLY 22 1HA GLY 22 -7.239 -5.073 -3.773
175 H GLY 23 H GLY 23 -8.375 -5.115 -1.309
176 HA2 GLY 23 2HA GLY 23 -9.882 -2.709 -0.959
177 HA3 GLY 23 1HA GLY 23 -9.779 -4.049 0.150
178 H HIS 24 H HIS 24 -6.835 -3.900 0.705
179 HA HIS 24 HA HIS 24 -7.018 -1.968 2.745
180 HB2 HIS 24 2HB HIS 24 -5.771 -3.809 3.227
181 HB3 HIS 24 1HB HIS 24 -4.837 -3.706 1.701
182 HD1 HIS 24 1HD HIS 24 -4.295 -3.375 5.041
183 HD2 HIS 24 2HD HIS 24 -3.459 -0.877 1.818
184 HE1 HIS 24 1HE HIS 24 -2.367 -1.777 5.832
185 H MET 25 H MET 25 -5.353 -2.014 -0.452
186 HA MET 25 HA MET 25 -4.190 0.533 -0.507
187 HB2 MET 25 2HB MET 25 -4.075 -1.540 -2.137
188 HB3 MET 25 1HB MET 25 -5.440 -0.804 -2.923
189 HG2 MET 25 2HG MET 25 -4.218 1.059 -3.612
190 HG3 MET 25 1HG MET 25 -2.995 0.864 -2.363
191 HE1 MET 25 3HE MET 25 -1.395 1.372 -4.549
192 HE2 MET 25 1HE MET 25 -1.300 0.277 -5.950
193 HE3 MET 25 2HE MET 25 -2.774 1.232 -5.665
194 H ASN 26 H ASN 26 -7.543 -0.393 -1.525
195 HA ASN 26 HA ASN 26 -8.389 2.266 -2.054
196 HB2 ASN 26 2HB ASN 26 -9.508 -0.009 -2.763
197 HB3 ASN 26 1HB ASN 26 -10.185 -0.066 -1.163
198 HD21 ASN 26 2HD2 ASN 26 -12.250 -0.017 -1.958
199 HD22 ASN 26 1HD2 ASN 26 -12.965 1.483 -2.607
200 H VAL 27 H VAL 27 -8.375 0.549 1.104
201 HA VAL 27 HA VAL 27 -9.763 2.538 2.501
202 HB VAL 27 HB VAL 27 -9.088 0.194 3.144
203 HG11 VAL 27 1HG1 VAL 27 -7.497 0.110 4.994
204 HG12 VAL 27 2HG1 VAL 27 -6.678 0.476 3.457
205 HG13 VAL 27 3HG1 VAL 27 -6.976 1.774 4.637
206 HG21 VAL 27 3HG2 VAL 27 -10.756 1.547 4.157
207 HG22 VAL 27 1HG2 VAL 27 -9.753 0.784 5.413
208 HG23 VAL 27 2HG2 VAL 27 -9.525 2.504 5.015
209 H HIS 28 H HIS 28 -6.493 2.768 1.162
210 HA HIS 28 HA HIS 28 -5.368 4.636 2.834
211 HB2 HIS 28 2HB HIS 28 -5.060 4.211 -0.111
212 HB3 HIS 28 1HB HIS 28 -4.046 5.309 0.876
213 HD1 HIS 28 1HD HIS 28 -4.017 3.315 3.312
214 HD2 HIS 28 2HD HIS 28 -2.943 2.450 -0.615
215 HE1 HIS 28 1HE HIS 28 -2.380 1.264 3.432
216 H ARG 29 H ARG 29 -6.908 6.227 3.569
217 HA ARG 29 HA ARG 29 -6.723 8.784 2.170
218 HB2 ARG 29 2HB ARG 29 -9.147 7.175 1.776
219 HB3 ARG 29 1HB ARG 29 -9.402 8.818 2.443
220 HG2 ARG 29 2HG ARG 29 -8.406 9.839 0.550
221 HG3 ARG 29 1HG ARG 29 -7.757 8.287 -0.041
222 HD2 ARG 29 2HD ARG 29 -10.136 7.461 -0.319
223 HD3 ARG 29 1HD ARG 29 -10.719 9.059 0.147
224 HE ARG 29 HE ARG 29 -8.873 9.372 -1.942
225 HH11 ARG 29 2HH2 ARG 29 -11.776 7.405 -1.680
226 HH12 ARG 29 1HH2 ARG 29 -12.360 7.859 -3.304
227 HH21 ARG 29 2HH1 ARG 29 -9.600 9.872 -4.054
228 HH22 ARG 29 1HH1 ARG 29 -11.161 9.211 -4.610
229 H ARG 30 H ARG 30 -5.587 8.844 4.269
230 HA ARG 30 HA ARG 30 -6.845 10.755 5.963
231 HB2 ARG 30 2HB ARG 30 -7.295 7.979 6.820
232 HB3 ARG 30 1HB ARG 30 -6.473 9.002 8.009
233 HG2 ARG 30 2HG ARG 30 -8.338 10.294 8.353
234 HG3 ARG 30 1HG ARG 30 -8.754 10.332 6.639
235 HD2 ARG 30 2HD ARG 30 -10.394 8.815 7.063
236 HD3 ARG 30 1HD ARG 30 -9.171 7.631 7.487
237 HE ARG 30 HE ARG 30 -10.895 9.061 9.224
238 HH11 ARG 30 2HH2 ARG 30 -7.735 7.427 9.178
239 HH12 ARG 30 1HH2 ARG 30 -7.740 7.201 10.947
240 HH21 ARG 30 2HH1 ARG 30 -10.864 8.710 11.446
241 HH22 ARG 30 1HH1 ARG 30 -9.458 7.903 12.191
242 H ASP 31 H ASP 31 -5.414 11.804 7.173
243 HA ASP 31 HA ASP 31 -3.392 12.750 7.499
244 HB2 ASP 31 2HB ASP 31 -3.047 9.984 8.562
245 HB3 ASP 31 1HB ASP 31 -1.672 11.072 8.542
246 H ARG 32 H ARG 32 -3.786 11.485 4.724
247 HA ARG 32 HA ARG 32 -0.967 11.483 3.823
248 HB2 ARG 32 2HB ARG 32 -2.086 9.125 3.931
249 HB3 ARG 32 1HB ARG 32 -3.152 9.693 2.654
250 HG2 ARG 32 2HG ARG 32 -1.379 8.593 1.539
251 HG3 ARG 32 1HG ARG 32 -1.008 10.312 1.353
252 HD2 ARG 32 2HD ARG 32 0.252 9.728 3.744
253 HD3 ARG 32 1HD ARG 32 0.455 8.218 2.843
254 HE ARG 32 HE ARG 32 1.027 10.387 1.133
255 HH11 ARG 32 2HH2 ARG 32 2.486 8.274 3.540
256 HH12 ARG 32 1HH2 ARG 32 4.130 8.905 3.254
257 HH21 ARG 32 2HH1 ARG 32 3.160 11.089 0.699
258 HH22 ARG 32 1HH1 ARG 32 4.500 10.450 1.688
259 H ALA 33 H ALA 33 -0.751 13.238 2.692
260 HA ALA 33 HA ALA 33 -2.342 13.893 0.373
261 HB1 ALA 33 1HB ALA 33 -2.939 16.166 1.122
262 HB2 ALA 33 2HB ALA 33 -3.748 14.930 2.114
263 HB3 ALA 33 3HB ALA 33 -2.329 15.795 2.752
264 H ARG 34 H ARG 34 -1.379 15.820 -0.721
265 HA ARG 34 HA ARG 34 0.285 17.087 -1.613
266 HB2 ARG 34 2HB ARG 34 0.483 17.842 0.841
267 HB3 ARG 34 1HB ARG 34 1.889 16.723 0.915
268 HG2 ARG 34 2HG ARG 34 1.682 18.983 -1.069
269 HG3 ARG 34 1HG ARG 34 2.394 19.167 0.565
270 HD2 ARG 34 2HD ARG 34 3.649 16.899 -0.662
271 HD3 ARG 34 1HD ARG 34 3.661 18.197 -1.845
272 HE ARG 34 HE ARG 34 5.091 19.376 -0.560
273 HH11 ARG 34 2HH2 ARG 34 3.938 16.673 1.451
274 HH12 ARG 34 1HH2 ARG 34 5.162 16.990 2.711
275 HH21 ARG 34 2HH1 ARG 34 6.603 19.730 1.069
276 HH22 ARG 34 1HH1 ARG 34 6.622 18.665 2.500
277 H LEU 35 H LEU 35 1.668 14.323 0.095
278 HA LEU 35 HA LEU 35 2.984 12.553 -0.624
279 HB2 LEU 35 2HB LEU 35 2.741 13.584 -3.412
280 HB3 LEU 35 1HB LEU 35 3.224 11.957 -2.837
281 HG LEU 35 HG LEU 35 0.471 13.040 -2.182
282 HD11 LEU 35 1HD1 LEU 35 -0.363 12.034 -4.242
283 HD12 LEU 35 2HD1 LEU 35 0.761 13.369 -4.592
284 HD13 LEU 35 3HD1 LEU 35 1.302 11.682 -4.761
285 HD21 LEU 35 3HD2 LEU 35 1.257 10.983 -1.073
286 HD22 LEU 35 1HD2 LEU 35 -0.092 10.669 -2.191
287 HD23 LEU 35 2HD2 LEU 35 1.572 10.254 -2.665
288 H ARG 36 H ARG 36 4.792 13.158 0.527
289 HA ARG 36 HA ARG 36 6.718 15.038 -0.632
290 HB2 ARG 36 2HB ARG 36 6.222 14.977 1.879
291 HB3 ARG 36 1HB ARG 36 6.843 13.344 1.939
292 HG2 ARG 36 2HG ARG 36 8.745 15.180 0.656
293 HG3 ARG 36 1HG ARG 36 8.318 15.663 2.294
294 HD2 ARG 36 2HD ARG 36 9.144 13.647 3.236
295 HD3 ARG 36 1HD ARG 36 9.044 12.771 1.720
296 HE ARG 36 HE ARG 36 11.123 13.399 1.290
297 HH11 ARG 36 2HH2 ARG 36 9.967 15.878 3.568
298 HH12 ARG 36 1HH2 ARG 36 11.534 16.730 3.545
299 HH21 ARG 36 2HH1 ARG 36 13.070 14.510 1.315
300 HH22 ARG 36 1HH1 ARG 36 13.233 15.979 2.313
301 H LEU 37 H LEU 37 7.051 14.022 -2.564
302 HA LEU 37 HA LEU 37 8.233 12.822 -4.059
303 HB2 LEU 37 2HB LEU 37 10.081 13.562 -1.989
304 HB3 LEU 37 1HB LEU 37 10.618 12.204 -3.038
305 HG LEU 37 HG LEU 37 11.440 14.361 -3.946
306 HD11 LEU 37 1HD1 LEU 37 10.673 14.188 -6.168
307 HD12 LEU 37 2HD1 LEU 37 11.037 12.595 -5.463
308 HD13 LEU 37 3HD1 LEU 37 9.347 13.116 -5.658
309 HD21 LEU 37 3HD2 LEU 37 9.730 15.855 -3.012
310 HD22 LEU 37 1HD2 LEU 37 9.942 16.051 -4.768
311 HD23 LEU 37 2HD2 LEU 37 8.534 15.165 -4.136
312 HN1 NH2 38 3HN NH2 38 6.930 9.673 -2.717
313 HN2 NH2 38 2HN NH2 38 6.547 11.111 -3.603
Start of MODEL 19
1 H1 ACE 0 2H1 ACE 0 12.588 -5.983 -12.519
2 H2 ACE 0 3H1 ACE 0 11.710 -6.452 -13.993
3 H3 ACE 0 1H1 ACE 0 11.646 -4.770 -13.416
4 H TRP 1 H TRP 1 11.089 -8.079 -12.206
5 HA TRP 1 HA TRP 1 9.204 -7.329 -10.185
6 HB2 TRP 1 2HB TRP 1 7.939 -6.671 -12.304
7 HB3 TRP 1 1HB TRP 1 7.862 -8.428 -12.648
8 HD1 TRP 1 HD TRP 1 6.373 -9.856 -11.038
9 HE1 TRP 1 1HE TRP 1 4.394 -9.288 -9.338
10 HE3 TRP 1 3HE TRP 1 7.291 -4.968 -10.483
11 HZ2 TRP 1 2HZ TRP 1 3.486 -6.928 -8.049
12 HZ3 TRP 1 3HZ TRP 1 5.659 -3.512 -9.576
13 HH2 TRP 1 HH TRP 1 3.729 -4.440 -8.170
14 HA PRO 2 HA PRO 2 11.029 -11.608 -10.219
15 HB2 PRO 2 2HB PRO 2 12.361 -11.465 -7.892
16 HB3 PRO 2 1HB PRO 2 13.038 -10.724 -9.341
17 HG2 PRO 2 2HG PRO 2 11.470 -9.375 -7.086
18 HG3 PRO 2 1HG PRO 2 12.991 -8.858 -7.807
19 HD2 PRO 2 1HD PRO 2 10.516 -7.861 -8.684
20 HD3 PRO 2 2HD PRO 2 11.904 -8.084 -9.838
21 HA PRO 3 HA PRO 3 7.986 -13.292 -7.416
22 HB2 PRO 3 2HB PRO 3 9.099 -15.664 -6.619
23 HB3 PRO 3 1HB PRO 3 8.413 -15.414 -8.224
24 HG2 PRO 3 2HG PRO 3 11.343 -15.207 -7.365
25 HG3 PRO 3 1HG PRO 3 10.677 -16.056 -8.759
26 HD2 PRO 3 1HD PRO 3 11.684 -13.451 -8.996
27 HD3 PRO 3 2HD PRO 3 10.202 -13.947 -9.947
28 H ARG 4 H ARG 4 11.291 -12.909 -6.189
29 HA ARG 4 HA ARG 4 11.063 -13.109 -3.497
30 HB2 ARG 4 2HB ARG 4 12.508 -11.305 -5.440
31 HB3 ARG 4 1HB ARG 4 12.656 -10.962 -3.685
32 HG2 ARG 4 2HG ARG 4 13.320 -13.705 -4.802
33 HG3 ARG 4 1HG ARG 4 14.506 -12.410 -4.816
34 HD2 ARG 4 2HD ARG 4 14.072 -12.139 -2.312
35 HD3 ARG 4 1HD ARG 4 13.147 -13.647 -2.405
36 HE ARG 4 HE ARG 4 16.012 -13.307 -2.572
37 HH11 ARG 4 2HH2 ARG 4 13.357 -15.613 -3.035
38 HH12 ARG 4 1HH2 ARG 4 14.477 -16.988 -3.223
39 HH21 ARG 4 2HH1 ARG 4 17.382 -15.091 -2.754
40 HH22 ARG 4 1HH1 ARG 4 16.684 -16.702 -3.065
41 H SER 5 H SER 5 11.418 -10.980 -2.021
42 HA SER 5 HA SER 5 8.897 -9.724 -1.502
43 HB2 SER 5 2HB SER 5 10.275 -8.315 0.000
44 HB3 SER 5 1HB SER 5 10.489 -10.049 0.266
45 HG SER 5 HG SER 5 12.506 -8.735 0.169
46 H TYR 6 H TYR 6 8.264 -7.679 -1.638
47 HA TYR 6 HA TYR 6 9.433 -6.093 -3.945
48 HB2 TYR 6 1HB TYR 6 6.587 -6.334 -3.173
49 HB3 TYR 6 2HB TYR 6 7.174 -5.496 -4.446
50 HD1 TYR 6 1HD TYR 6 6.620 -8.859 -3.140
51 HD2 TYR 6 2HD TYR 6 7.582 -6.474 -6.584
52 HE1 TYR 6 1HE TYR 6 6.302 -10.825 -4.592
53 HE2 TYR 6 2HE TYR 6 7.193 -8.424 -8.042
54 HH TYR 6 HH TYR 6 7.053 -11.175 -7.781
55 H THR 7 H THR 7 9.516 -3.952 -3.853
56 HA THR 7 HA THR 7 9.383 -2.595 -1.240
57 HB THR 7 HB THR 7 10.638 -2.041 -3.904
58 HG1 THR 7 1HG THR 7 11.609 -2.596 -1.226
59 HG21 THR 7 3HG2 THR 7 10.843 -0.294 -1.437
60 HG22 THR 7 1HG2 THR 7 11.821 -0.151 -2.917
61 HG23 THR 7 2HG2 THR 7 10.068 0.148 -2.977
62 H CYS 8 H CYS 8 8.378 -0.524 -0.976
63 HA CYS 8 HA CYS 8 5.854 -0.357 -2.448
64 HB2 CYS 8 2HB CYS 8 6.357 -0.409 0.252
65 HB3 CYS 8 1HB CYS 8 6.124 1.319 -0.074
66 H SER 9 H SER 9 8.955 1.054 -2.249
67 HA SER 9 HA SER 9 10.053 2.891 -3.034
68 HB2 SER 9 2HB SER 9 9.433 4.309 -4.525
69 HB3 SER 9 1HB SER 9 8.545 2.808 -4.934
70 HG SER 9 HG SER 9 6.722 3.876 -4.795
71 H PHE 10 H PHE 10 6.873 4.016 -1.866
72 HA PHE 10 HA PHE 10 7.731 6.254 -0.538
73 HB2 PHE 10 1HB PHE 10 5.442 4.743 -0.938
74 HB3 PHE 10 2HB PHE 10 5.496 4.984 0.676
75 HD1 PHE 10 2HD PHE 10 5.804 7.496 1.483
76 HD2 PHE 10 1HD PHE 10 4.114 6.054 -2.186
77 HE1 PHE 10 2HE PHE 10 4.333 9.493 1.369
78 HE2 PHE 10 1HE PHE 10 2.616 8.018 -2.281
79 HZ PHE 10 HZ PHE 10 2.786 9.787 -0.532
80 H CYS 11 H CYS 11 7.254 2.917 1.089
81 HA CYS 11 HA CYS 11 8.690 4.171 3.316
82 HB2 CYS 11 2HB CYS 11 7.952 2.277 4.646
83 HB3 CYS 11 1HB CYS 11 6.572 3.093 3.886
84 H LYS 12 H LYS 12 9.906 3.203 0.582
85 HA LYS 12 HA LYS 12 10.928 1.242 -0.381
86 HB2 LYS 12 2HB LYS 12 13.230 1.644 0.082
87 HB3 LYS 12 1HB LYS 12 12.392 3.229 0.202
88 HG2 LYS 12 2HG LYS 12 12.549 3.164 2.628
89 HG3 LYS 12 1HG LYS 12 13.238 1.536 2.584
90 HD2 LYS 12 2HD LYS 12 15.021 2.808 0.946
91 HD3 LYS 12 1HD LYS 12 14.546 4.163 1.951
92 HE2 LYS 12 2HE LYS 12 15.091 1.670 3.427
93 HE3 LYS 12 1HE LYS 12 16.482 2.395 2.560
94 HZ1 LYS 12 3HZ LYS 12 14.780 3.739 4.546
95 HZ2 LYS 12 1HZ LYS 12 16.332 3.146 4.802
96 HZ3 LYS 12 2HZ LYS 12 16.085 4.420 3.733
97 H ARG 13 H ARG 13 9.471 0.277 2.115
98 HA ARG 13 HA ARG 13 11.146 -1.779 3.127
99 HB2 ARG 13 2HB ARG 13 9.058 -0.479 4.100
100 HB3 ARG 13 1HB ARG 13 8.134 -1.781 3.287
101 HG2 ARG 13 2HG ARG 13 8.395 -2.911 5.240
102 HG3 ARG 13 1HG ARG 13 10.050 -3.197 4.701
103 HD2 ARG 13 2HD ARG 13 10.725 -2.112 6.568
104 HD3 ARG 13 1HD ARG 13 10.136 -0.618 5.835
105 HE ARG 13 HE ARG 13 8.342 -0.641 7.234
106 HH11 ARG 13 2HH2 ARG 13 9.948 -3.791 7.550
107 HH12 ARG 13 1HH2 ARG 13 8.887 -4.295 8.892
108 HH21 ARG 13 2HH1 ARG 13 7.037 -1.328 8.978
109 HH22 ARG 13 1HH1 ARG 13 7.300 -2.951 9.672
110 H GLU 14 H GLU 14 10.841 -3.993 3.009
111 HA GLU 14 HA GLU 14 9.992 -4.972 0.333
112 HB2 GLU 14 2HB GLU 14 12.192 -5.828 2.258
113 HB3 GLU 14 1HB GLU 14 11.674 -6.822 0.903
114 HG2 GLU 14 2HG GLU 14 12.444 -5.271 -0.695
115 HG3 GLU 14 1HG GLU 14 12.468 -3.935 0.465
116 H PHE 15 H PHE 15 8.178 -5.985 0.365
117 HA PHE 15 HA PHE 15 7.367 -7.631 2.723
118 HB2 PHE 15 1HB PHE 15 5.646 -6.344 0.710
119 HB3 PHE 15 2HB PHE 15 5.178 -7.047 2.108
120 HD1 PHE 15 2HD PHE 15 6.744 -4.094 0.666
121 HD2 PHE 15 1HD PHE 15 4.948 -5.873 4.144
122 HE1 PHE 15 2HE PHE 15 6.469 -1.854 1.670
123 HE2 PHE 15 1HE PHE 15 4.700 -3.625 5.160
124 HZ PHE 15 HZ PHE 15 5.420 -1.608 3.901
125 H ARG 16 H ARG 16 6.112 -9.445 2.377
126 HA ARG 16 HA ARG 16 6.694 -10.929 -0.109
127 HB2 ARG 16 2HB ARG 16 6.524 -12.948 1.575
128 HB3 ARG 16 1HB ARG 16 7.858 -11.887 1.895
129 HG2 ARG 16 2HG ARG 16 6.329 -10.701 3.630
130 HG3 ARG 16 1HG ARG 16 5.235 -12.026 3.426
131 HD2 ARG 16 2HD ARG 16 8.118 -12.656 4.048
132 HD3 ARG 16 1HD ARG 16 7.058 -12.100 5.304
133 HE ARG 16 HE ARG 16 7.091 -14.631 4.044
134 HH11 ARG 16 2HH2 ARG 16 4.717 -12.410 5.492
135 HH12 ARG 16 1HH2 ARG 16 3.753 -13.756 6.158
136 HH21 ARG 16 2HH1 ARG 16 5.820 -16.284 4.910
137 HH22 ARG 16 1HH1 ARG 16 4.354 -15.868 5.837
138 H SER 17 H SER 17 4.681 -9.571 -0.789
139 HA SER 17 HA SER 17 2.369 -11.356 -0.953
140 HB2 SER 17 2HB SER 17 2.134 -8.855 0.739
141 HB3 SER 17 1HB SER 17 0.772 -9.710 0.019
142 HG SER 17 HG SER 17 2.595 -11.335 1.437
143 H ALA 18 H ALA 18 0.752 -10.625 -2.418
144 HA ALA 18 HA ALA 18 1.521 -8.271 -4.042
145 HB1 ALA 18 1HB ALA 18 0.405 -9.486 -5.886
146 HB2 ALA 18 2HB ALA 18 1.755 -10.402 -5.174
147 HB3 ALA 18 3HB ALA 18 0.076 -10.836 -4.773
148 H GLN 19 H GLN 19 -0.358 -8.367 -1.631
149 HA GLN 19 HA GLN 19 -2.698 -6.971 -2.809
150 HB2 GLN 19 2HB GLN 19 -4.187 -8.180 -1.225
151 HB3 GLN 19 1HB GLN 19 -3.561 -9.194 -2.564
152 HG2 GLN 19 2HG GLN 19 -1.970 -10.293 -0.999
153 HG3 GLN 19 1HG GLN 19 -2.458 -9.250 0.301
154 HE21 GLN 19 2HE2 GLN 19 -2.465 -12.160 -0.073
155 HE22 GLN 19 1HE2 GLN 19 -4.139 -12.657 0.294
156 H ALA 20 H ALA 20 -1.612 -7.928 0.471
157 HA ALA 20 HA ALA 20 -2.029 -5.712 1.922
158 HB1 ALA 20 1HB ALA 20 -0.074 -6.292 3.209
159 HB2 ALA 20 2HB ALA 20 -0.981 -7.749 2.739
160 HB3 ALA 20 3HB ALA 20 0.522 -7.323 1.886
161 H LEU 21 H LEU 21 0.649 -5.953 -0.465
162 HA LEU 21 HA LEU 21 1.840 -3.465 0.129
163 HB2 LEU 21 2HB LEU 21 2.028 -5.294 -2.277
164 HB3 LEU 21 1HB LEU 21 2.859 -3.760 -2.217
165 HG LEU 21 HG LEU 21 3.768 -4.580 0.067
166 HD11 LEU 21 1HD1 LEU 21 3.983 -6.997 0.254
167 HD12 LEU 21 2HD1 LEU 21 2.288 -6.469 0.363
168 HD13 LEU 21 3HD1 LEU 21 2.895 -7.207 -1.138
169 HD21 LEU 21 3HD2 LEU 21 5.076 -4.258 -2.010
170 HD22 LEU 21 1HD2 LEU 21 5.599 -5.725 -1.147
171 HD23 LEU 21 2HD2 LEU 21 4.559 -5.861 -2.585
172 H GLY 22 H GLY 22 -0.426 -4.330 -2.657
173 HA2 GLY 22 2HA GLY 22 -0.609 -1.794 -3.808
174 HA3 GLY 22 1HA GLY 22 -1.873 -3.020 -3.823
175 H GLY 23 H GLY 23 -2.739 -3.271 -1.261
176 HA2 GLY 23 2HA GLY 23 -4.291 -0.982 -0.607
177 HA3 GLY 23 1HA GLY 23 -3.956 -2.318 0.453
178 H HIS 24 H HIS 24 -1.113 -2.074 0.771
179 HA HIS 24 HA HIS 24 -1.134 -0.126 2.809
180 HB2 HIS 24 2HB HIS 24 0.067 -2.014 3.237
181 HB3 HIS 24 1HB HIS 24 0.936 -1.942 1.672
182 HD1 HIS 24 1HD HIS 24 1.431 -1.403 5.078
183 HD2 HIS 24 2HD HIS 24 2.617 0.610 1.633
184 HE1 HIS 24 1HE HIS 24 3.495 0.071 5.761
185 H MET 25 H MET 25 0.408 -0.240 -0.465
186 HA MET 25 HA MET 25 1.651 2.289 -0.514
187 HB2 MET 25 2HB MET 25 1.585 0.139 -2.174
188 HB3 MET 25 1HB MET 25 0.455 1.162 -3.014
189 HG2 MET 25 2HG MET 25 3.108 2.207 -2.093
190 HG3 MET 25 1HG MET 25 2.890 1.297 -3.626
191 HE1 MET 25 3HE MET 25 0.794 2.109 -5.282
192 HE2 MET 25 1HE MET 25 1.312 3.639 -6.029
193 HE3 MET 25 2HE MET 25 2.495 2.337 -5.755
194 H ASN 26 H ASN 26 -1.733 1.373 -1.413
195 HA ASN 26 HA ASN 26 -2.562 4.006 -2.099
196 HB2 ASN 26 2HB ASN 26 -3.722 1.738 -2.620
197 HB3 ASN 26 1HB ASN 26 -4.323 1.775 -0.970
198 HD21 ASN 26 2HD2 ASN 26 -4.203 3.616 -4.020
199 HD22 ASN 26 1HD2 ASN 26 -5.772 4.433 -3.787
200 H VAL 27 H VAL 27 -2.652 2.425 1.158
201 HA VAL 27 HA VAL 27 -3.842 4.584 2.456
202 HB VAL 27 HB VAL 27 -3.452 2.268 3.244
203 HG11 VAL 27 1HG1 VAL 27 -1.745 2.012 4.974
204 HG12 VAL 27 2HG1 VAL 27 -1.006 2.185 3.364
205 HG13 VAL 27 3HG1 VAL 27 -1.009 3.560 4.495
206 HG21 VAL 27 3HG2 VAL 27 -4.818 3.888 4.292
207 HG22 VAL 27 1HG2 VAL 27 -3.852 3.027 5.514
208 HG23 VAL 27 2HG2 VAL 27 -3.403 4.678 5.026
209 H HIS 28 H HIS 28 -0.535 4.491 1.139
210 HA HIS 28 HA HIS 28 0.763 6.282 2.739
211 HB2 HIS 28 2HB HIS 28 0.918 5.793 -0.203
212 HB3 HIS 28 1HB HIS 28 2.008 6.907 0.680
213 HD1 HIS 28 1HD HIS 28 2.023 4.949 3.195
214 HD2 HIS 28 2HD HIS 28 3.064 4.039 -0.732
215 HE1 HIS 28 1HE HIS 28 3.641 2.884 3.323
216 H ARG 29 H ARG 29 0.801 8.521 2.994
217 HA ARG 29 HA ARG 29 -0.251 10.587 3.245
218 HB2 ARG 29 2HB ARG 29 -0.096 11.939 1.339
219 HB3 ARG 29 1HB ARG 29 1.231 10.737 1.182
220 HG2 ARG 29 2HG ARG 29 0.025 9.572 -0.593
221 HG3 ARG 29 1HG ARG 29 -1.418 10.510 -0.332
222 HD2 ARG 29 2HD ARG 29 -0.664 11.804 -1.998
223 HD3 ARG 29 1HD ARG 29 0.468 12.484 -0.839
224 HE ARG 29 HE ARG 29 1.366 10.035 -2.085
225 HH11 ARG 29 2HH2 ARG 29 1.148 13.543 -2.537
226 HH12 ARG 29 1HH2 ARG 29 2.540 13.583 -3.653
227 HH21 ARG 29 2HH1 ARG 29 3.211 10.151 -3.451
228 HH22 ARG 29 1HH1 ARG 29 3.669 11.726 -4.153
229 H ARG 30 H ARG 30 -2.173 8.272 3.123
230 HA ARG 30 HA ARG 30 -4.587 9.824 2.337
231 HB2 ARG 30 2HB ARG 30 -3.567 7.442 1.235
232 HB3 ARG 30 1HB ARG 30 -4.915 6.964 2.311
233 HG2 ARG 30 2HG ARG 30 -6.211 8.984 1.159
234 HG3 ARG 30 1HG ARG 30 -5.001 8.868 -0.091
235 HD2 ARG 30 2HD ARG 30 -5.573 6.592 -0.528
236 HD3 ARG 30 1HD ARG 30 -6.752 6.617 0.837
237 HE ARG 30 HE ARG 30 -7.106 8.805 -1.009
238 HH11 ARG 30 2HH2 ARG 30 -8.036 5.396 -0.637
239 HH12 ARG 30 1HH2 ARG 30 -9.480 5.593 -1.665
240 HH21 ARG 30 2HH1 ARG 30 -8.927 8.997 -2.320
241 HH22 ARG 30 1HH1 ARG 30 -9.970 7.576 -2.592
242 H ASP 31 H ASP 31 -6.274 9.785 3.501
243 HA ASP 31 HA ASP 31 -6.865 8.275 5.814
244 HB2 ASP 31 2HB ASP 31 -5.100 10.640 6.232
245 HB3 ASP 31 1HB ASP 31 -6.530 10.575 7.258
246 H ARG 32 H ARG 32 -8.719 9.166 6.915
247 HA ARG 32 HA ARG 32 -10.897 9.995 6.981
248 HB2 ARG 32 2HB ARG 32 -9.923 12.329 5.310
249 HB3 ARG 32 1HB ARG 32 -11.354 12.243 6.307
250 HG2 ARG 32 2HG ARG 32 -9.747 11.912 8.332
251 HG3 ARG 32 1HG ARG 32 -8.464 12.367 7.261
252 HD2 ARG 32 2HD ARG 32 -10.884 14.104 7.884
253 HD3 ARG 32 1HD ARG 32 -9.286 14.294 8.532
254 HE ARG 32 HE ARG 32 -8.759 14.463 5.942
255 HH11 ARG 32 2HH2 ARG 32 -11.586 15.770 7.630
256 HH12 ARG 32 1HH2 ARG 32 -11.600 17.262 6.651
257 HH21 ARG 32 2HH1 ARG 32 -8.840 16.380 4.689
258 HH22 ARG 32 1HH1 ARG 32 -10.099 17.594 5.041
259 H ALA 33 H ALA 33 -12.437 8.978 6.232
260 HA ALA 33 HA ALA 33 -12.592 8.504 3.293
261 HB1 ALA 33 1HB ALA 33 -13.737 6.414 3.881
262 HB2 ALA 33 2HB ALA 33 -12.093 6.463 4.560
263 HB3 ALA 33 3HB ALA 33 -13.498 6.763 5.610
264 H ARG 34 H ARG 34 -14.485 8.923 2.293
265 HA ARG 34 HA ARG 34 -16.468 10.566 3.596
266 HB2 ARG 34 2HB ARG 34 -15.714 10.804 1.217
267 HB3 ARG 34 1HB ARG 34 -16.522 9.246 0.858
268 HG2 ARG 34 2HG ARG 34 -17.972 11.141 0.174
269 HG3 ARG 34 1HG ARG 34 -18.719 10.282 1.505
270 HD2 ARG 34 2HD ARG 34 -17.869 11.988 3.090
271 HD3 ARG 34 1HD ARG 34 -17.129 12.859 1.740
272 HE ARG 34 HE ARG 34 -19.877 12.358 1.204
273 HH11 ARG 34 2HH2 ARG 34 -18.114 14.183 3.655
274 HH12 ARG 34 1HH2 ARG 34 -19.263 15.547 3.604
275 HH21 ARG 34 2HH1 ARG 34 -21.349 14.093 1.199
276 HH22 ARG 34 1HH1 ARG 34 -21.041 15.494 2.259
277 H LEU 35 H LEU 35 -16.730 7.245 2.291
278 HA LEU 35 HA LEU 35 -18.556 5.866 2.198
279 HB2 LEU 35 2HB LEU 35 -18.856 4.784 4.301
280 HB3 LEU 35 1HB LEU 35 -17.148 5.052 3.816
281 HG LEU 35 HG LEU 35 -17.819 7.229 5.478
282 HD11 LEU 35 1HD1 LEU 35 -18.590 6.184 7.532
283 HD12 LEU 35 2HD1 LEU 35 -19.810 6.067 6.242
284 HD13 LEU 35 3HD1 LEU 35 -18.831 4.645 6.672
285 HD21 LEU 35 3HD2 LEU 35 -15.636 6.081 5.299
286 HD22 LEU 35 1HD2 LEU 35 -16.186 6.176 6.989
287 HD23 LEU 35 2HD2 LEU 35 -16.329 4.646 6.091
288 H ARG 36 H ARG 36 -19.907 7.925 1.449
289 HA ARG 36 HA ARG 36 -21.680 9.292 3.041
290 HB2 ARG 36 2HB ARG 36 -21.178 9.587 0.510
291 HB3 ARG 36 1HB ARG 36 -22.336 8.298 0.216
292 HG2 ARG 36 2HG ARG 36 -24.096 9.682 1.437
293 HG3 ARG 36 1HG ARG 36 -22.941 10.977 1.566
294 HD2 ARG 36 2HD ARG 36 -22.757 11.125 -0.831
295 HD3 ARG 36 1HD ARG 36 -23.884 9.736 -1.003
296 HE ARG 36 HE ARG 36 -25.428 11.207 0.451
297 HH11 ARG 36 2HH2 ARG 36 -23.233 12.703 -1.921
298 HH12 ARG 36 1HH2 ARG 36 -24.289 14.129 -2.104
299 HH21 ARG 36 2HH1 ARG 36 -26.731 13.009 0.144
300 HH22 ARG 36 1HH1 ARG 36 -26.204 14.296 -0.973
301 H LEU 37 H LEU 37 -22.446 6.143 1.534
302 HA LEU 37 HA LEU 37 -23.989 5.228 3.793
303 HB2 LEU 37 2HB LEU 37 -25.574 6.881 2.749
304 HB3 LEU 37 1HB LEU 37 -25.620 5.783 1.333
305 HG LEU 37 HG LEU 37 -26.371 3.955 2.902
306 HD11 LEU 37 1HD1 LEU 37 -27.309 4.569 5.064
307 HD12 LEU 37 2HD1 LEU 37 -25.554 4.858 5.001
308 HD13 LEU 37 3HD1 LEU 37 -26.686 6.225 4.874
309 HD21 LEU 37 3HD2 LEU 37 -27.946 5.224 1.468
310 HD22 LEU 37 1HD2 LEU 37 -28.694 4.811 3.029
311 HD23 LEU 37 2HD2 LEU 37 -28.101 6.464 2.735
312 HN1 NH2 38 3HN NH2 38 -21.828 4.164 1.524
313 HN2 NH2 38 2HN NH2 38 -22.893 5.352 0.848
Start of MODEL 20
1 H1 ACE 0 2H1 ACE 0 15.509 -4.314 -6.855
2 H2 ACE 0 3H1 ACE 0 14.441 -3.152 -7.676
3 H3 ACE 0 1H1 ACE 0 14.734 -3.009 -5.927
4 H TRP 1 H TRP 1 13.899 -5.673 -8.143
5 HA TRP 1 HA TRP 1 11.565 -6.283 -6.347
6 HB2 TRP 1 2HB TRP 1 10.383 -7.095 -8.256
7 HB3 TRP 1 1HB TRP 1 10.933 -5.425 -8.601
8 HD1 TRP 1 HD TRP 1 13.276 -5.398 -10.089
9 HE1 TRP 1 1HE TRP 1 13.989 -6.906 -12.173
10 HE3 TRP 1 3HE TRP 1 10.331 -9.340 -9.161
11 HZ2 TRP 1 2HZ TRP 1 13.231 -9.466 -13.139
12 HZ3 TRP 1 3HZ TRP 1 9.880 -10.948 -10.835
13 HH2 TRP 1 HH TRP 1 11.444 -11.190 -12.852
14 HA PRO 2 HA PRO 2 14.365 -9.848 -5.778
15 HB2 PRO 2 2HB PRO 2 13.700 -10.296 -3.221
16 HB3 PRO 2 1HB PRO 2 14.763 -8.952 -3.632
17 HG2 PRO 2 2HG PRO 2 11.748 -8.880 -3.107
18 HG3 PRO 2 1HG PRO 2 12.991 -7.843 -2.416
19 HD2 PRO 2 1HD PRO 2 11.550 -7.086 -4.700
20 HD3 PRO 2 2HD PRO 2 13.304 -6.626 -4.514
21 HA PRO 3 HA PRO 3 11.412 -13.125 -6.509
22 HB2 PRO 3 2HB PRO 3 12.662 -15.256 -5.378
23 HB3 PRO 3 1HB PRO 3 13.189 -14.565 -6.913
24 HG2 PRO 3 2HG PRO 3 14.319 -14.047 -4.118
25 HG3 PRO 3 1HG PRO 3 15.204 -14.406 -5.597
26 HD2 PRO 3 1HD PRO 3 14.818 -11.760 -4.760
27 HD3 PRO 3 2HD PRO 3 14.729 -12.166 -6.542
28 H ARG 4 H ARG 4 9.790 -14.239 -5.563
29 HA ARG 4 HA ARG 4 7.967 -14.245 -4.107
30 HB2 ARG 4 2HB ARG 4 10.209 -15.419 -2.399
31 HB3 ARG 4 1HB ARG 4 8.502 -15.526 -2.014
32 HG2 ARG 4 2HG ARG 4 8.297 -16.558 -4.439
33 HG3 ARG 4 1HG ARG 4 10.024 -16.858 -4.238
34 HD2 ARG 4 2HD ARG 4 9.529 -18.054 -2.069
35 HD3 ARG 4 1HD ARG 4 7.816 -17.807 -2.343
36 HE ARG 4 HE ARG 4 9.408 -19.818 -3.398
37 HH11 ARG 4 2HH2 ARG 4 6.686 -17.795 -4.496
38 HH12 ARG 4 1HH2 ARG 4 6.224 -18.983 -5.744
39 HH21 ARG 4 2HH1 ARG 4 8.758 -21.267 -4.973
40 HH22 ARG 4 1HH1 ARG 4 7.353 -20.879 -6.001
41 H SER 5 H SER 5 8.881 -11.646 -4.293
42 HA SER 5 HA SER 5 7.423 -10.522 -2.053
43 HB2 SER 5 2HB SER 5 10.151 -10.943 -1.629
44 HB3 SER 5 1HB SER 5 9.937 -9.203 -2.049
45 HG SER 5 HG SER 5 8.589 -10.766 -0.019
46 H TYR 6 H TYR 6 6.736 -8.610 -2.373
47 HA TYR 6 HA TYR 6 7.817 -6.925 -4.648
48 HB2 TYR 6 1HB TYR 6 5.024 -7.719 -4.200
49 HB3 TYR 6 2HB TYR 6 5.388 -6.311 -4.942
50 HD1 TYR 6 2HD TYR 6 6.928 -6.322 -6.988
51 HD2 TYR 6 1HD TYR 6 5.052 -9.826 -5.364
52 HE1 TYR 6 2HE TYR 6 7.266 -7.476 -9.133
53 HE2 TYR 6 1HE TYR 6 5.316 -10.974 -7.541
54 HH TYR 6 HH TYR 6 6.902 -10.719 -9.812
55 H THR 7 H THR 7 8.002 -4.954 -4.538
56 HA THR 7 HA THR 7 7.989 -3.674 -1.931
57 HB THR 7 HB THR 7 8.795 -2.479 -4.653
58 HG1 THR 7 1HG THR 7 10.261 -4.362 -3.042
59 HG21 THR 7 3HG2 THR 7 9.955 -2.169 -1.873
60 HG22 THR 7 1HG2 THR 7 10.500 -1.347 -3.354
61 HG23 THR 7 2HG2 THR 7 8.886 -1.003 -2.687
62 H CYS 8 H CYS 8 6.874 -1.499 -1.587
63 HA CYS 8 HA CYS 8 4.442 -1.365 -3.208
64 HB2 CYS 8 2HB CYS 8 4.782 -1.366 -0.483
65 HB3 CYS 8 1HB CYS 8 4.572 0.357 -0.854
66 H SER 9 H SER 9 7.537 -0.008 -3.058
67 HA SER 9 HA SER 9 8.641 1.858 -3.791
68 HB2 SER 9 2HB SER 9 8.045 3.273 -5.266
69 HB3 SER 9 1HB SER 9 7.147 1.780 -5.687
70 HG SER 9 HG SER 9 5.335 2.862 -5.562
71 H PHE 10 H PHE 10 5.454 3.129 -2.654
72 HA PHE 10 HA PHE 10 6.374 5.302 -1.181
73 HB2 PHE 10 1HB PHE 10 4.031 3.601 -1.043
74 HB3 PHE 10 2HB PHE 10 4.306 4.623 0.201
75 HD1 PHE 10 2HD PHE 10 3.838 4.597 -3.454
76 HD2 PHE 10 1HD PHE 10 3.389 6.686 0.268
77 HE1 PHE 10 2HE PHE 10 2.422 6.297 -4.573
78 HE2 PHE 10 1HE PHE 10 1.927 8.354 -0.837
79 HZ PHE 10 HZ PHE 10 1.464 8.174 -3.265
80 H CYS 11 H CYS 11 6.175 1.847 0.114
81 HA CYS 11 HA CYS 11 7.431 3.041 2.494
82 HB2 CYS 11 2HB CYS 11 6.671 1.050 3.709
83 HB3 CYS 11 1HB CYS 11 5.325 1.990 3.035
84 H LYS 12 H LYS 12 8.706 2.083 -0.284
85 HA LYS 12 HA LYS 12 9.789 0.034 -1.128
86 HB2 LYS 12 2HB LYS 12 12.112 0.417 -0.342
87 HB3 LYS 12 1HB LYS 12 11.293 1.902 -0.928
88 HG2 LYS 12 2HG LYS 12 10.985 2.679 1.322
89 HG3 LYS 12 1HG LYS 12 11.635 1.144 1.982
90 HD2 LYS 12 2HD LYS 12 13.397 2.832 0.201
91 HD3 LYS 12 1HD LYS 12 13.172 3.311 1.873
92 HE2 LYS 12 2HE LYS 12 13.893 1.020 2.590
93 HE3 LYS 12 1HE LYS 12 14.217 0.632 0.895
94 HZ1 LYS 12 3HZ LYS 12 15.437 2.834 2.425
95 HZ2 LYS 12 1HZ LYS 12 16.168 1.375 2.021
96 HZ3 LYS 12 2HZ LYS 12 15.745 2.466 0.813
97 H ARG 13 H ARG 13 8.154 -0.879 1.164
98 HA ARG 13 HA ARG 13 9.905 -2.927 2.304
99 HB2 ARG 13 2HB ARG 13 8.001 -1.397 3.461
100 HB3 ARG 13 1HB ARG 13 6.980 -2.735 2.933
101 HG2 ARG 13 2HG ARG 13 8.846 -4.238 3.972
102 HG3 ARG 13 1HG ARG 13 9.289 -2.736 4.848
103 HD2 ARG 13 2HD ARG 13 6.544 -4.000 4.892
104 HD3 ARG 13 1HD ARG 13 7.824 -4.287 6.119
105 HE ARG 13 HE ARG 13 6.081 -2.006 5.846
106 HH11 ARG 13 2HH2 ARG 13 9.267 -2.857 7.175
107 HH12 ARG 13 1HH2 ARG 13 9.071 -1.737 8.549
108 HH21 ARG 13 2HH1 ARG 13 5.919 -0.585 7.585
109 HH22 ARG 13 1HH1 ARG 13 7.251 -0.496 8.769
110 H GLU 14 H GLU 14 9.918 -4.888 1.847
111 HA GLU 14 HA GLU 14 8.627 -5.977 -0.539
112 HB2 GLU 14 2HB GLU 14 10.713 -7.016 1.429
113 HB3 GLU 14 1HB GLU 14 10.181 -7.883 -0.006
114 HG2 GLU 14 2HG GLU 14 11.174 -6.245 -1.487
115 HG3 GLU 14 1HG GLU 14 11.292 -5.043 -0.248
116 H PHE 15 H PHE 15 6.686 -6.761 -0.449
117 HA PHE 15 HA PHE 15 5.819 -8.406 1.867
118 HB2 PHE 15 1HB PHE 15 4.426 -6.813 -0.185
119 HB3 PHE 15 2HB PHE 15 3.628 -7.981 0.630
120 HD1 PHE 15 1HD PHE 15 5.579 -4.903 1.157
121 HD2 PHE 15 2HD PHE 15 2.524 -7.549 2.601
122 HE1 PHE 15 1HE PHE 15 4.977 -3.251 2.900
123 HE2 PHE 15 2HE PHE 15 1.926 -5.904 4.355
124 HZ PHE 15 HZ PHE 15 3.180 -3.768 4.529
125 H ARG 16 H ARG 16 5.370 -10.458 1.699
126 HA ARG 16 HA ARG 16 5.612 -11.887 -0.830
127 HB2 ARG 16 2HB ARG 16 5.419 -13.858 0.633
128 HB3 ARG 16 1HB ARG 16 6.583 -12.690 1.337
129 HG2 ARG 16 2HG ARG 16 4.181 -11.990 2.545
130 HG3 ARG 16 1HG ARG 16 4.075 -13.753 2.449
131 HD2 ARG 16 2HD ARG 16 6.517 -13.729 3.352
132 HD3 ARG 16 1HD ARG 16 6.152 -12.051 3.823
133 HE ARG 16 HE ARG 16 4.026 -13.729 4.640
134 HH11 ARG 16 2HH2 ARG 16 7.287 -12.775 5.646
135 HH12 ARG 16 1HH2 ARG 16 7.077 -13.453 7.282
136 HH21 ARG 16 2HH1 ARG 16 3.794 -14.551 6.742
137 HH22 ARG 16 1HH1 ARG 16 5.158 -14.426 7.884
138 H SER 17 H SER 17 3.635 -10.124 -1.161
139 HA SER 17 HA SER 17 1.083 -11.639 -1.184
140 HB2 SER 17 2HB SER 17 1.561 -9.063 0.302
141 HB3 SER 17 1HB SER 17 -0.040 -9.565 -0.299
142 HG SER 17 HG SER 17 1.459 -11.524 1.107
143 H ALA 18 H ALA 18 -0.464 -10.813 -2.543
144 HA ALA 18 HA ALA 18 0.472 -8.842 -4.591
145 HB1 ALA 18 1HB ALA 18 -0.984 -9.955 -6.145
146 HB2 ALA 18 2HB ALA 18 0.270 -11.037 -5.494
147 HB3 ALA 18 3HB ALA 18 -1.405 -11.159 -4.905
148 H GLN 19 H GLN 19 -2.805 -10.097 -3.777
149 HA GLN 19 HA GLN 19 -4.061 -7.653 -4.119
150 HB2 GLN 19 2HB GLN 19 -4.837 -10.299 -3.956
151 HB3 GLN 19 1HB GLN 19 -5.281 -9.831 -2.344
152 HG2 GLN 19 2HG GLN 19 -6.275 -8.104 -4.617
153 HG3 GLN 19 1HG GLN 19 -7.026 -9.633 -4.326
154 HE21 GLN 19 2HE2 GLN 19 -7.987 -6.896 -4.120
155 HE22 GLN 19 1HE2 GLN 19 -8.619 -6.758 -2.457
156 H ALA 20 H ALA 20 -3.208 -9.130 -0.919
157 HA ALA 20 HA ALA 20 -3.950 -7.054 0.791
158 HB1 ALA 20 1HB ALA 20 -2.253 -7.898 2.255
159 HB2 ALA 20 2HB ALA 20 -3.155 -9.231 1.495
160 HB3 ALA 20 3HB ALA 20 -1.520 -8.822 0.922
161 H LEU 21 H LEU 21 -0.942 -7.205 -1.184
162 HA LEU 21 HA LEU 21 0.209 -4.758 -0.079
163 HB2 LEU 21 2HB LEU 21 1.434 -6.738 -0.802
164 HB3 LEU 21 1HB LEU 21 0.984 -6.300 -2.492
165 HG LEU 21 HG LEU 21 3.350 -5.631 -1.664
166 HD11 LEU 21 1HD1 LEU 21 3.379 -3.628 -2.919
167 HD12 LEU 21 2HD1 LEU 21 2.473 -4.918 -3.743
168 HD13 LEU 21 3HD1 LEU 21 1.600 -3.588 -2.946
169 HD21 LEU 21 3HD2 LEU 21 2.687 -4.732 0.529
170 HD22 LEU 21 1HD2 LEU 21 3.498 -3.520 -0.491
171 HD23 LEU 21 2HD2 LEU 21 1.731 -3.474 -0.289
172 H GLY 22 H GLY 22 -1.495 -5.615 -3.211
173 HA2 GLY 22 2HA GLY 22 -1.542 -3.108 -4.417
174 HA3 GLY 22 1HA GLY 22 -2.823 -4.299 -4.542
175 H GLY 23 H GLY 23 -4.004 -4.419 -2.052
176 HA2 GLY 23 2HA GLY 23 -5.498 -2.039 -1.659
177 HA3 GLY 23 1HA GLY 23 -5.309 -3.319 -0.496
178 H HIS 24 H HIS 24 -2.427 -3.092 -0.116
179 HA HIS 24 HA HIS 24 -2.504 -1.173 1.942
180 HB2 HIS 24 2HB HIS 24 -1.299 -3.038 2.397
181 HB3 HIS 24 1HB HIS 24 -0.421 -2.987 0.836
182 HD1 HIS 24 1HD HIS 24 0.113 -2.483 4.222
183 HD2 HIS 24 2HD HIS 24 1.229 -0.386 0.802
184 HE1 HIS 24 1HE HIS 24 2.171 -1.001 4.904
185 H MET 25 H MET 25 -0.860 -1.257 -1.276
186 HA MET 25 HA MET 25 0.317 1.284 -1.336
187 HB2 MET 25 2HB MET 25 0.364 -0.757 -2.984
188 HB3 MET 25 1HB MET 25 -0.976 0.084 -3.758
189 HG2 MET 25 2HG MET 25 0.387 1.924 -4.388
190 HG3 MET 25 1HG MET 25 1.507 1.699 -3.084
191 HE1 MET 25 3HE MET 25 0.612 0.958 -6.717
192 HE2 MET 25 1HE MET 25 1.539 -0.511 -7.102
193 HE3 MET 25 2HE MET 25 0.123 -0.608 -6.028
194 H ASN 26 H ASN 26 -3.067 0.398 -2.253
195 HA ASN 26 HA ASN 26 -3.841 3.104 -2.783
196 HB2 ASN 26 2HB ASN 26 -4.931 0.811 -3.577
197 HB3 ASN 26 1HB ASN 26 -5.735 0.812 -2.031
198 HD21 ASN 26 2HD2 ASN 26 -7.697 0.873 -3.119
199 HD22 ASN 26 1HD2 ASN 26 -8.314 2.403 -3.796
200 H VAL 27 H VAL 27 -3.845 1.347 0.328
201 HA VAL 27 HA VAL 27 -5.173 3.391 1.713
202 HB VAL 27 HB VAL 27 -4.645 1.033 2.369
203 HG11 VAL 27 1HG1 VAL 27 -3.018 0.834 4.180
204 HG12 VAL 27 2HG1 VAL 27 -2.212 1.143 2.623
205 HG13 VAL 27 3HG1 VAL 27 -2.389 2.457 3.810
206 HG21 VAL 27 3HG2 VAL 27 -6.193 2.491 3.409
207 HG22 VAL 27 1HG2 VAL 27 -5.223 1.657 4.646
208 HG23 VAL 27 2HG2 VAL 27 -4.887 3.359 4.249
209 H HIS 28 H HIS 28 -1.890 3.505 0.399
210 HA HIS 28 HA HIS 28 -0.651 5.287 2.062
211 HB2 HIS 28 2HB HIS 28 -0.456 4.914 -0.897
212 HB3 HIS 28 1HB HIS 28 0.617 5.982 0.062
213 HD1 HIS 28 1HD HIS 28 0.664 3.946 2.476
214 HD2 HIS 28 2HD HIS 28 1.633 3.140 -1.490
215 HE1 HIS 28 1HE HIS 28 2.269 1.866 2.521
216 H ARG 29 H ARG 29 -2.055 6.862 2.918
217 HA ARG 29 HA ARG 29 -3.404 8.719 3.053
218 HB2 ARG 29 2HB ARG 29 -0.832 9.499 2.269
219 HB3 ARG 29 1HB ARG 29 -1.783 10.227 1.020
220 HG2 ARG 29 2HG ARG 29 -2.302 10.571 3.959
221 HG3 ARG 29 1HG ARG 29 -1.345 11.670 2.909
222 HD2 ARG 29 2HD ARG 29 -4.138 11.194 1.969
223 HD3 ARG 29 1HD ARG 29 -4.033 12.028 3.490
224 HE ARG 29 HE ARG 29 -3.089 13.812 2.490
225 HH11 ARG 29 2HH2 ARG 29 -3.268 11.282 -0.018
226 HH12 ARG 29 1HH2 ARG 29 -3.012 12.474 -1.320
227 HH21 ARG 29 2HH1 ARG 29 -2.842 15.247 0.784
228 HH22 ARG 29 1HH1 ARG 29 -2.782 14.621 -0.886
229 H ARG 30 H ARG 30 -4.699 6.896 1.573
230 HA ARG 30 HA ARG 30 -6.185 8.485 -0.380
231 HB2 ARG 30 2HB ARG 30 -4.048 6.788 -1.295
232 HB3 ARG 30 1HB ARG 30 -5.488 5.876 -1.577
233 HG2 ARG 30 2HG ARG 30 -5.186 7.067 -3.532
234 HG3 ARG 30 1HG ARG 30 -6.411 8.019 -2.713
235 HD2 ARG 30 2HD ARG 30 -4.961 9.780 -2.293
236 HD3 ARG 30 1HD ARG 30 -3.538 8.747 -2.205
237 HE ARG 30 HE ARG 30 -4.508 10.106 -4.464
238 HH11 ARG 30 2HH2 ARG 30 -2.925 7.037 -3.629
239 HH12 ARG 30 1HH2 ARG 30 -2.256 6.835 -5.270
240 HH21 ARG 30 2HH1 ARG 30 -3.615 9.801 -6.541
241 HH22 ARG 30 1HH1 ARG 30 -2.632 8.346 -6.861
242 H ASP 31 H ASP 31 -8.062 7.251 -1.115
243 HA ASP 31 HA ASP 31 -10.090 6.311 -0.639
244 HB2 ASP 31 2HB ASP 31 -8.637 4.375 1.156
245 HB3 ASP 31 1HB ASP 31 -10.275 4.216 0.439
246 H ARG 32 H ARG 32 -11.722 6.782 0.740
247 HA ARG 32 HA ARG 32 -12.913 7.717 2.507
248 HB2 ARG 32 2HB ARG 32 -10.654 7.074 4.354
249 HB3 ARG 32 1HB ARG 32 -12.402 7.289 4.693
250 HG2 ARG 32 2HG ARG 32 -11.302 4.900 3.119
251 HG3 ARG 32 1HG ARG 32 -11.566 4.853 4.828
252 HD2 ARG 32 2HD ARG 32 -13.779 4.544 4.581
253 HD3 ARG 32 1HD ARG 32 -13.943 5.800 3.375
254 HE ARG 32 HE ARG 32 -14.005 4.205 1.857
255 HH11 ARG 32 2HH2 ARG 32 -11.850 2.805 4.333
256 HH12 ARG 32 1HH2 ARG 32 -11.753 1.255 3.454
257 HH21 ARG 32 2HH1 ARG 32 -13.784 2.258 0.793
258 HH22 ARG 32 1HH1 ARG 32 -12.804 0.959 1.525
259 H ALA 33 H ALA 33 -9.501 8.458 3.067
260 HA ALA 33 HA ALA 33 -8.330 10.342 3.590
261 HB1 ALA 33 1HB ALA 33 -8.781 12.326 2.328
262 HB2 ALA 33 2HB ALA 33 -8.771 10.858 1.321
263 HB3 ALA 33 3HB ALA 33 -10.316 11.627 1.758
264 H ARG 34 H ARG 34 -8.928 12.936 4.258
265 HA ARG 34 HA ARG 34 -10.460 12.826 6.686
266 HB2 ARG 34 2HB ARG 34 -9.926 15.196 6.811
267 HB3 ARG 34 1HB ARG 34 -8.473 14.288 6.268
268 HG2 ARG 34 2HG ARG 34 -8.300 15.549 4.418
269 HG3 ARG 34 1HG ARG 34 -10.004 15.320 4.008
270 HD2 ARG 34 2HD ARG 34 -9.570 17.707 4.387
271 HD3 ARG 34 1HD ARG 34 -10.606 17.106 5.683
272 HE ARG 34 HE ARG 34 -7.775 17.840 5.862
273 HH11 ARG 34 2HH2 ARG 34 -10.741 16.936 7.626
274 HH12 ARG 34 1HH2 ARG 34 -9.977 17.252 9.208
275 HH21 ARG 34 2HH1 ARG 34 -6.867 18.161 7.892
276 HH22 ARG 34 1HH1 ARG 34 -7.865 17.921 9.352
277 H LEU 35 H LEU 35 -11.743 15.573 6.052
278 HA LEU 35 HA LEU 35 -13.848 16.364 5.546
279 HB2 LEU 35 2HB LEU 35 -13.243 14.651 3.285
280 HB3 LEU 35 1HB LEU 35 -14.932 14.555 3.664
281 HG LEU 35 HG LEU 35 -13.724 17.273 3.644
282 HD11 LEU 35 1HD1 LEU 35 -13.954 17.322 1.181
283 HD12 LEU 35 2HD1 LEU 35 -12.722 16.138 1.678
284 HD13 LEU 35 3HD1 LEU 35 -14.337 15.584 1.178
285 HD21 LEU 35 3HD2 LEU 35 -16.115 16.894 4.172
286 HD22 LEU 35 1HD2 LEU 35 -15.922 17.767 2.633
287 HD23 LEU 35 2HD2 LEU 35 -16.317 16.032 2.628
288 H ARG 36 H ARG 36 -16.221 15.692 5.533
289 HA ARG 36 HA ARG 36 -17.094 13.211 6.749
290 HB2 ARG 36 2HB ARG 36 -16.358 15.399 8.533
291 HB3 ARG 36 1HB ARG 36 -18.087 15.016 8.621
292 HG2 ARG 36 2HG ARG 36 -15.959 12.817 8.728
293 HG3 ARG 36 1HG ARG 36 -16.516 13.625 10.173
294 HD2 ARG 36 2HD ARG 36 -18.651 12.565 8.379
295 HD3 ARG 36 1HD ARG 36 -17.639 11.387 9.219
296 HE ARG 36 HE ARG 36 -19.623 13.113 10.354
297 HH11 ARG 36 2HH2 ARG 36 -16.528 11.578 11.182
298 HH12 ARG 36 1HH2 ARG 36 -16.934 11.495 12.918
299 HH21 ARG 36 2HH1 ARG 36 -20.079 12.991 12.587
300 HH22 ARG 36 1HH1 ARG 36 -18.873 12.267 13.684
301 H LEU 37 H LEU 37 -18.645 12.872 5.434
302 HA LEU 37 HA LEU 37 -20.623 12.991 4.366
303 HB2 LEU 37 2HB LEU 37 -21.562 13.344 6.404
304 HB3 LEU 37 1HB LEU 37 -21.140 15.092 6.393
305 HG LEU 37 HG LEU 37 -22.918 14.185 4.205
306 HD11 LEU 37 1HD1 LEU 37 -24.892 14.176 5.708
307 HD12 LEU 37 2HD1 LEU 37 -23.772 12.861 6.138
308 HD13 LEU 37 3HD1 LEU 37 -23.822 14.344 7.121
309 HD21 LEU 37 3HD2 LEU 37 -22.279 16.549 4.577
310 HD22 LEU 37 1HD2 LEU 37 -24.029 16.308 4.796
311 HD23 LEU 37 2HD2 LEU 37 -22.969 16.476 6.216
312 HN1 NH2 38 3HN NH2 38 -18.397 14.265 3.380
313 HN2 NH2 38 2HN NH2 38 -19.671 13.106 3.199