Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505047 | 2eoi RC | 11165 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 18.089 -14.529 -14.627
2 HA2 GLY 1 1HA GLY 1 18.390 -14.985 -12.044
3 HA3 GLY 1 2HA GLY 1 17.356 -13.567 -11.967
4 H SER 2 H SER 2 17.464 -16.932 -12.258
5 HA SER 2 HA SER 2 14.973 -17.341 -13.588
6 HB2 SER 2 1HB SER 2 16.539 -19.142 -13.641
7 HB3 SER 2 2HB SER 2 16.707 -19.136 -11.885
8 HG SER 2 HG SER 2 15.043 -20.570 -13.317
9 H SER 3 H SER 3 13.130 -16.620 -12.746
10 HA SER 3 HA SER 3 12.700 -16.128 -9.998
11 HB2 SER 3 1HB SER 3 10.350 -15.751 -10.639
12 HB3 SER 3 2HB SER 3 11.455 -14.944 -11.751
13 HG SER 3 HG SER 3 10.407 -17.522 -12.258
14 H GLY 4 H GLY 4 12.351 -17.539 -8.424
15 HA2 GLY 4 1HA GLY 4 12.177 -20.266 -8.647
16 HA3 GLY 4 2HA GLY 4 11.534 -19.363 -7.283
17 H SER 5 H SER 5 9.323 -18.449 -7.577
18 HA SER 5 HA SER 5 7.640 -19.693 -9.563
19 HB2 SER 5 1HB SER 5 7.332 -20.416 -6.639
20 HB3 SER 5 2HB SER 5 6.165 -20.805 -7.902
21 HG SER 5 HG SER 5 8.864 -21.681 -7.779
22 H SER 6 H SER 6 5.894 -18.469 -9.987
23 HA SER 6 HA SER 6 5.187 -16.364 -8.050
24 HB2 SER 6 1HB SER 6 4.873 -14.786 -9.846
25 HB3 SER 6 2HB SER 6 6.482 -15.488 -10.015
26 HG SER 6 HG SER 6 5.812 -15.862 -11.980
27 H GLY 7 H GLY 7 2.981 -15.357 -8.692
28 HA2 GLY 7 1HA GLY 7 1.146 -17.298 -9.867
29 HA3 GLY 7 2HA GLY 7 0.904 -16.917 -8.169
30 H GLU 8 H GLU 8 -0.121 -15.059 -7.604
31 HA GLU 8 HA GLU 8 -1.201 -13.470 -9.821
32 HB2 GLU 8 1HB GLU 8 -2.678 -12.620 -7.790
33 HB3 GLU 8 2HB GLU 8 -3.048 -14.116 -8.637
34 HG2 GLU 8 1HG GLU 8 -2.088 -15.432 -6.920
35 HG3 GLU 8 2HG GLU 8 -1.374 -14.019 -6.146
36 H LYS 9 H LYS 9 -0.286 -11.581 -10.227
37 HA LYS 9 HA LYS 9 1.707 -10.375 -8.723
38 HB2 LYS 9 1HB LYS 9 -0.216 -9.075 -10.662
39 HB3 LYS 9 2HB LYS 9 1.284 -8.355 -10.090
40 HG2 LYS 9 1HG LYS 9 2.592 -10.000 -11.199
41 HG3 LYS 9 2HG LYS 9 1.165 -10.968 -11.574
42 HD2 LYS 9 1HD LYS 9 0.334 -8.975 -12.902
43 HD3 LYS 9 2HD LYS 9 1.952 -8.295 -12.713
44 HE2 LYS 9 1HE LYS 9 1.807 -9.430 -14.834
45 HE3 LYS 9 2HE LYS 9 2.887 -10.326 -13.767
46 HZ1 LYS 9 3HZ LYS 9 0.215 -11.242 -13.502
47 HZ2 LYS 9 1HZ LYS 9 1.603 -12.108 -13.932
48 HZ3 LYS 9 2HZ LYS 9 0.701 -11.312 -15.120
49 H LEU 10 H LEU 10 1.326 -10.007 -6.593
50 HA LEU 10 HA LEU 10 -1.064 -9.035 -5.490
51 HB2 LEU 10 1HB LEU 10 1.757 -8.856 -4.444
52 HB3 LEU 10 2HB LEU 10 0.309 -8.512 -3.499
53 HG LEU 10 HG LEU 10 0.760 -11.200 -4.763
54 HD11 LEU 10 1HD1 LEU 10 2.238 -11.834 -3.221
55 HD12 LEU 10 2HD1 LEU 10 1.357 -11.029 -1.923
56 HD13 LEU 10 3HD1 LEU 10 2.491 -10.115 -2.917
57 HD21 LEU 10 3HD2 LEU 10 -0.822 -10.335 -2.345
58 HD22 LEU 10 1HD2 LEU 10 -0.782 -11.945 -3.065
59 HD23 LEU 10 2HD2 LEU 10 -1.497 -10.599 -3.954
60 H HIS 11 H HIS 11 -1.236 -6.934 -4.273
61 HA HIS 11 HA HIS 11 -0.398 -4.758 -6.048
62 HB2 HIS 11 1HB HIS 11 -2.667 -5.134 -4.135
63 HB3 HIS 11 2HB HIS 11 -2.132 -3.500 -4.515
64 HD2 HIS 11 HD2 HIS 11 -4.332 -6.251 -5.983
65 HE1 HIS 11 HE1 HIS 11 -3.815 -3.334 -9.020
66 HE2 HIS 11 HE2 HIS 11 -5.141 -5.337 -8.264
67 H GLU 12 H GLU 12 0.252 -2.702 -5.081
68 HA GLU 12 HA GLU 12 1.210 -2.737 -2.352
69 HB2 GLU 12 1HB GLU 12 3.505 -2.571 -2.767
70 HB3 GLU 12 2HB GLU 12 2.979 -3.849 -3.853
71 HG2 GLU 12 1HG GLU 12 2.852 -2.150 -5.672
72 HG3 GLU 12 2HG GLU 12 3.581 -0.991 -4.562
73 H CYS 13 H CYS 13 2.161 -0.636 -1.722
74 HA CYS 13 HA CYS 13 0.575 1.507 -2.726
75 HB2 CYS 13 1HB CYS 13 1.455 1.171 -0.335
76 HB3 CYS 13 2HB CYS 13 2.974 1.828 -0.933
77 H SER 14 H SER 14 1.620 3.662 -3.275
78 HA SER 14 HA SER 14 3.765 3.186 -5.236
79 HB2 SER 14 1HB SER 14 1.783 3.909 -6.363
80 HB3 SER 14 2HB SER 14 1.518 5.207 -5.200
81 HG SER 14 HG SER 14 3.614 5.002 -7.101
82 H GLU 15 H GLU 15 3.028 4.704 -2.313
83 HA GLU 15 HA GLU 15 5.121 6.730 -2.637
84 HB2 GLU 15 1HB GLU 15 2.805 6.390 -0.796
85 HB3 GLU 15 2HB GLU 15 4.211 7.254 -0.191
86 HG2 GLU 15 1HG GLU 15 2.841 7.973 -2.764
87 HG3 GLU 15 2HG GLU 15 2.382 8.657 -1.206
88 H CYS 16 H CYS 16 4.169 4.065 -0.495
89 HA CYS 16 HA CYS 16 6.864 4.085 0.671
90 HB2 CYS 16 1HB CYS 16 5.904 2.649 2.434
91 HB3 CYS 16 2HB CYS 16 5.048 4.181 2.293
92 H ARG 17 H ARG 17 4.881 2.405 -1.523
93 HA ARG 17 HA ARG 17 5.181 0.528 -2.771
94 HB2 ARG 17 1HB ARG 17 8.005 0.740 -1.713
95 HB3 ARG 17 2HB ARG 17 7.497 -0.345 -3.001
96 HG2 ARG 17 1HG ARG 17 7.165 2.638 -3.151
97 HG3 ARG 17 2HG ARG 17 8.604 1.793 -3.726
98 HD2 ARG 17 1HD ARG 17 5.947 0.837 -4.654
99 HD3 ARG 17 2HD ARG 17 6.570 2.343 -5.328
100 HE ARG 17 HE ARG 17 7.588 -0.327 -5.781
101 HH11 ARG 17 1HH1 ARG 17 8.182 3.097 -5.997
102 HH12 ARG 17 2HH1 ARG 17 9.404 2.940 -7.215
103 HH21 ARG 17 1HH2 ARG 17 9.196 -0.546 -7.384
104 HH22 ARG 17 2HH2 ARG 17 9.979 0.867 -8.004
105 H LYS 18 H LYS 18 3.988 0.136 -0.342
106 HA LYS 18 HA LYS 18 5.219 -2.294 0.755
107 HB2 LYS 18 1HB LYS 18 4.439 -0.284 2.206
108 HB3 LYS 18 2HB LYS 18 2.822 -0.918 1.930
109 HG2 LYS 18 1HG LYS 18 3.580 -3.091 2.869
110 HG3 LYS 18 2HG LYS 18 5.118 -2.325 3.272
111 HD2 LYS 18 1HD LYS 18 3.998 -0.752 4.725
112 HD3 LYS 18 2HD LYS 18 2.421 -1.386 4.248
113 HE2 LYS 18 1HE LYS 18 2.722 -3.365 5.421
114 HE3 LYS 18 2HE LYS 18 4.478 -3.203 5.440
115 HZ1 LYS 18 3HZ LYS 18 3.309 -2.772 7.604
116 HZ2 LYS 18 1HZ LYS 18 2.687 -1.359 6.913
117 HZ3 LYS 18 2HZ LYS 18 4.358 -1.548 7.091
118 H THR 19 H THR 19 4.270 -4.251 0.581
119 HA THR 19 HA THR 19 2.052 -4.506 -1.258
120 HB THR 19 HB THR 19 2.416 -6.977 -0.922
121 HG1 THR 19 HG1 THR 19 4.854 -6.342 0.328
122 HG21 THR 19 3HG2 THR 19 3.469 -6.214 -2.825
123 HG22 THR 19 1HG2 THR 19 4.843 -6.835 -1.912
124 HG23 THR 19 2HG2 THR 19 4.509 -5.103 -1.935
125 H PHE 20 H PHE 20 0.128 -5.705 -0.806
126 HA PHE 20 HA PHE 20 -0.550 -5.983 2.035
127 HB2 PHE 20 1HB PHE 20 -2.236 -4.567 -0.040
128 HB3 PHE 20 2HB PHE 20 -2.782 -4.981 1.582
129 HD1 PHE 20 HD1 PHE 20 -0.163 -3.064 -0.227
130 HD2 PHE 20 HD2 PHE 20 -2.451 -3.502 3.335
131 HE1 PHE 20 HE1 PHE 20 0.746 -0.938 0.615
132 HE2 PHE 20 HE2 PHE 20 -1.546 -1.377 4.182
133 HZ PHE 20 HZ PHE 20 0.054 -0.091 2.821
134 H SER 21 H SER 21 -2.055 -7.579 2.516
135 HA SER 21 HA SER 21 -2.058 -9.880 1.010
136 HB2 SER 21 1HB SER 21 -3.808 -10.699 2.447
137 HB3 SER 21 2HB SER 21 -2.756 -9.668 3.417
138 HG SER 21 HG SER 21 -4.363 -8.351 3.729
139 H PHE 22 H PHE 22 -4.475 -7.291 1.031
140 HA PHE 22 HA PHE 22 -5.396 -8.212 -1.590
141 HB2 PHE 22 1HB PHE 22 -7.257 -7.554 0.704
142 HB3 PHE 22 2HB PHE 22 -7.750 -7.932 -0.943
143 HD1 PHE 22 HD2 PHE 22 -7.221 -10.229 -1.857
144 HD2 PHE 22 HD1 PHE 22 -6.894 -9.245 2.271
145 HE1 PHE 22 HE2 PHE 22 -7.298 -12.620 -1.284
146 HE2 PHE 22 HE1 PHE 22 -6.970 -11.635 2.851
147 HZ PHE 22 HZ PHE 22 -7.173 -13.326 1.072
148 H HIS 23 H HIS 23 -5.739 -6.595 -2.996
149 HA HIS 23 HA HIS 23 -4.789 -4.080 -2.735
150 HB2 HIS 23 1HB HIS 23 -5.791 -5.239 -4.805
151 HB3 HIS 23 2HB HIS 23 -7.326 -4.547 -4.288
152 HD2 HIS 23 HD2 HIS 23 -5.633 -1.637 -3.405
153 HE1 HIS 23 HE1 HIS 23 -5.335 -1.412 -7.631
154 HE2 HIS 23 HE2 HIS 23 -5.074 -0.166 -5.458
155 H SER 24 H SER 24 -8.134 -5.059 -2.040
156 HA SER 24 HA SER 24 -9.426 -2.794 -1.482
157 HB2 SER 24 1HB SER 24 -9.345 -5.303 0.196
158 HB3 SER 24 2HB SER 24 -10.474 -3.985 0.514
159 HG SER 24 HG SER 24 -11.669 -4.802 -0.993
160 H GLN 25 H GLN 25 -7.170 -4.315 0.814
161 HA GLN 25 HA GLN 25 -7.341 -2.274 2.758
162 HB2 GLN 25 1HB GLN 25 -5.511 -4.562 2.227
163 HB3 GLN 25 2HB GLN 25 -4.952 -3.306 3.323
164 HG2 GLN 25 1HG GLN 25 -7.655 -4.488 3.727
165 HG3 GLN 25 2HG GLN 25 -6.228 -5.398 4.221
166 HE21 GLN 25 1HE2 GLN 25 -8.535 -3.460 5.356
167 HE22 GLN 25 2HE2 GLN 25 -7.697 -2.690 6.656
168 H LEU 26 H LEU 26 -4.907 -2.927 0.244
169 HA LEU 26 HA LEU 26 -3.083 -0.972 0.686
170 HB2 LEU 26 1HB LEU 26 -2.667 -2.376 -1.122
171 HB3 LEU 26 2HB LEU 26 -4.235 -2.049 -1.858
172 HG LEU 26 HG LEU 26 -3.464 0.193 -2.488
173 HD11 LEU 26 1HD1 LEU 26 -1.681 1.135 -1.571
174 HD12 LEU 26 2HD1 LEU 26 -0.651 -0.181 -2.132
175 HD13 LEU 26 3HD1 LEU 26 -1.466 -0.303 -0.573
176 HD21 LEU 26 3HD2 LEU 26 -2.112 -0.475 -4.302
177 HD22 LEU 26 1HD2 LEU 26 -3.137 -1.862 -3.933
178 HD23 LEU 26 2HD2 LEU 26 -1.454 -1.846 -3.408
179 H VAL 27 H VAL 27 -5.855 -0.473 -1.509
180 HA VAL 27 HA VAL 27 -5.656 2.181 -2.002
181 HB VAL 27 HB VAL 27 -8.297 0.903 -1.300
182 HG11 VAL 27 1HG1 VAL 27 -7.745 3.472 -2.024
183 HG12 VAL 27 2HG1 VAL 27 -8.089 2.724 -3.585
184 HG13 VAL 27 3HG1 VAL 27 -9.286 2.656 -2.290
185 HG21 VAL 27 3HG2 VAL 27 -6.611 0.642 -3.776
186 HG22 VAL 27 1HG2 VAL 27 -7.290 -0.639 -2.772
187 HG23 VAL 27 2HG2 VAL 27 -8.350 0.349 -3.778
188 H ILE 28 H ILE 28 -6.976 0.718 0.933
189 HA ILE 28 HA ILE 28 -7.834 3.135 2.131
190 HB ILE 28 HB ILE 28 -7.038 0.559 3.491
191 HG12 ILE 28 1HG1 ILE 28 -9.816 1.468 2.736
192 HG13 ILE 28 2HG1 ILE 28 -8.844 0.422 1.706
193 HG21 ILE 28 1HG2 ILE 28 -8.388 1.323 5.345
194 HG22 ILE 28 2HG2 ILE 28 -7.147 2.520 4.981
195 HG23 ILE 28 3HG2 ILE 28 -8.811 2.793 4.467
196 HD11 ILE 28 3HD1 ILE 28 -9.149 -1.379 3.022
197 HD12 ILE 28 1HD1 ILE 28 -9.157 -0.431 4.509
198 HD13 ILE 28 2HD1 ILE 28 -10.599 -0.493 3.495
199 H HIS 29 H HIS 29 -4.796 1.360 2.183
200 HA HIS 29 HA HIS 29 -3.555 2.802 4.263
201 HB2 HIS 29 1HB HIS 29 -2.521 0.773 3.688
202 HB3 HIS 29 2HB HIS 29 -2.512 1.159 1.970
203 HD1 HIS 29 HD1 HIS 29 -0.536 1.521 5.071
204 HD2 HIS 29 HD2 HIS 29 -0.456 2.975 1.179
205 HE1 HIS 29 HE1 HIS 29 1.750 2.526 4.775
206 H GLN 30 H GLN 30 -3.244 3.141 0.727
207 HA GLN 30 HA GLN 30 -1.523 5.190 0.465
208 HB2 GLN 30 1HB GLN 30 -4.162 4.888 -0.976
209 HB3 GLN 30 2HB GLN 30 -2.874 5.971 -1.487
210 HG2 GLN 30 1HG GLN 30 -1.389 4.089 -1.830
211 HG3 GLN 30 2HG GLN 30 -2.628 2.982 -1.244
212 HE21 GLN 30 1HE2 GLN 30 -2.322 1.926 -3.307
213 HE22 GLN 30 2HE2 GLN 30 -3.155 2.522 -4.698
214 H ARG 31 H ARG 31 -4.665 5.368 1.917
215 HA ARG 31 HA ARG 31 -5.158 8.113 1.759
216 HB2 ARG 31 1HB ARG 31 -5.886 6.180 3.968
217 HB3 ARG 31 2HB ARG 31 -6.583 7.781 3.753
218 HG2 ARG 31 1HG ARG 31 -7.556 7.120 1.646
219 HG3 ARG 31 2HG ARG 31 -6.775 5.540 1.752
220 HD2 ARG 31 1HD ARG 31 -8.961 5.144 2.471
221 HD3 ARG 31 2HD ARG 31 -8.035 5.277 3.965
222 HE ARG 31 HE ARG 31 -9.277 7.111 4.508
223 HH11 ARG 31 1HH1 ARG 31 -9.537 6.564 1.080
224 HH12 ARG 31 2HH1 ARG 31 -10.725 7.802 0.840
225 HH21 ARG 31 1HH2 ARG 31 -10.840 8.744 4.206
226 HH22 ARG 31 2HH2 ARG 31 -11.465 9.042 2.619
227 H ILE 32 H ILE 32 -3.668 6.292 4.441
228 HA ILE 32 HA ILE 32 -3.053 8.150 6.246
229 HB ILE 32 HB ILE 32 -1.127 6.953 6.896
230 HG12 ILE 32 1HG1 ILE 32 -0.975 5.987 4.035
231 HG13 ILE 32 2HG1 ILE 32 0.156 7.062 4.849
232 HG21 ILE 32 1HG2 ILE 32 -3.339 5.714 6.858
233 HG22 ILE 32 2HG2 ILE 32 -2.729 4.875 5.432
234 HG23 ILE 32 3HG2 ILE 32 -1.885 4.723 6.973
235 HD11 ILE 32 3HD1 ILE 32 -0.320 4.160 5.481
236 HD12 ILE 32 1HD1 ILE 32 1.084 4.845 4.663
237 HD13 ILE 32 2HD1 ILE 32 0.775 5.228 6.357
238 H HIS 33 H HIS 33 -1.392 7.804 3.145
239 HA HIS 33 HA HIS 33 0.556 9.807 3.611
240 HB2 HIS 33 1HB HIS 33 -0.550 8.688 1.028
241 HB3 HIS 33 2HB HIS 33 0.843 9.761 1.128
242 HD1 HIS 33 HD1 HIS 33 2.678 8.664 3.061
243 HD2 HIS 33 HD2 HIS 33 0.285 6.142 0.786
244 HE1 HIS 33 HE1 HIS 33 3.826 6.426 3.105
245 H THR 34 H THR 34 -2.409 9.881 1.627
246 HA THR 34 HA THR 34 -2.289 12.674 1.158
247 HB THR 34 HB THR 34 -4.560 12.470 0.290
248 HG1 THR 34 HG1 THR 34 -4.497 10.112 1.790
249 HG21 THR 34 3HG2 THR 34 -2.361 11.321 -0.775
250 HG22 THR 34 1HG2 THR 34 -3.932 11.350 -1.575
251 HG23 THR 34 2HG2 THR 34 -3.428 9.920 -0.674
252 H GLY 35 H GLY 35 -2.124 13.833 3.053
253 HA2 GLY 35 1HA GLY 35 -4.449 13.651 4.870
254 HA3 GLY 35 2HA GLY 35 -2.827 14.053 5.414
255 H GLU 36 H GLU 36 -3.121 16.067 6.207
256 HA GLU 36 HA GLU 36 -4.805 18.032 5.142
257 HB2 GLU 36 1HB GLU 36 -3.462 19.627 6.504
258 HB3 GLU 36 2HB GLU 36 -4.009 18.219 7.403
259 HG2 GLU 36 1HG GLU 36 -1.818 17.215 7.234
260 HG3 GLU 36 2HG GLU 36 -1.255 18.554 6.236
261 H ASN 37 H ASN 37 -4.096 20.143 4.229
262 HA ASN 37 HA ASN 37 -2.012 19.707 2.194
263 HB2 ASN 37 1HB ASN 37 -4.000 20.016 1.007
264 HB3 ASN 37 2HB ASN 37 -4.605 21.219 2.141
265 HD21 ASN 37 1HD2 ASN 37 -2.358 20.621 -0.468
266 HD22 ASN 37 2HD2 ASN 37 -2.142 22.275 -0.919
267 HA PRO 38 HA PRO 38 -0.320 22.987 4.960
268 HB2 PRO 38 1HB PRO 38 2.247 22.126 4.765
269 HB3 PRO 38 2HB PRO 38 1.098 21.465 5.934
270 HG2 PRO 38 1HG PRO 38 1.949 20.363 3.284
271 HG3 PRO 38 2HG PRO 38 1.713 19.516 4.824
272 HD2 PRO 38 1HD PRO 38 -0.135 19.482 2.844
273 HD3 PRO 38 2HD PRO 38 -0.575 19.417 4.563
274 H SER 39 H SER 39 1.150 21.697 1.981
275 HA SER 39 HA SER 39 2.690 23.847 1.233
276 HB2 SER 39 1HB SER 39 2.610 23.004 -1.007
277 HB3 SER 39 2HB SER 39 2.519 21.608 0.068
278 HG SER 39 HG SER 39 0.721 21.145 -0.889
279 H GLY 40 H GLY 40 2.247 25.910 0.855
280 HA2 GLY 40 1HA GLY 40 0.107 26.769 -0.801
281 HA3 GLY 40 2HA GLY 40 -0.289 27.040 0.889
282 HA PRO 41 HA PRO 41 2.184 30.632 -0.870
283 HB2 PRO 41 1HB PRO 41 0.283 32.529 -0.470
284 HB3 PRO 41 2HB PRO 41 0.397 31.581 -1.958
285 HG2 PRO 41 1HG PRO 41 -1.409 31.198 0.399
286 HG3 PRO 41 2HG PRO 41 -1.788 31.090 -1.330
287 HD2 PRO 41 1HD PRO 41 -1.371 28.902 0.209
288 HD3 PRO 41 2HD PRO 41 -0.938 28.955 -1.511
289 H SER 42 H SER 42 0.379 29.923 1.999
290 HA SER 42 HA SER 42 0.876 32.038 3.666
291 HB2 SER 42 1HB SER 42 -0.414 29.985 4.268
292 HB3 SER 42 2HB SER 42 1.114 29.128 4.468
293 HG SER 42 HG SER 42 0.781 31.535 5.840
294 H SER 43 H SER 43 2.694 33.100 4.050
295 HA SER 43 HA SER 43 5.265 31.778 3.781
296 HB2 SER 43 1HB SER 43 4.385 34.634 4.100
297 HB3 SER 43 2HB SER 43 6.071 34.187 4.359
298 HG SER 43 HG SER 43 6.068 34.561 2.252
299 H GLY 44 H GLY 44 3.404 33.467 6.287
300 HA2 GLY 44 1HA GLY 44 5.275 33.358 8.350
301 HA3 GLY 44 2HA GLY 44 3.533 33.386 8.577
Start of MODEL 2
1 H1 GLY 1 H GLY 1 15.178 -14.033 8.729
2 HA2 GLY 1 1HA GLY 1 14.595 -12.672 6.194
3 HA3 GLY 1 2HA GLY 1 15.305 -14.270 6.365
4 H SER 2 H SER 2 12.714 -12.866 5.178
5 HA SER 2 HA SER 2 10.834 -14.920 6.137
6 HB2 SER 2 1HB SER 2 9.047 -13.408 5.272
7 HB3 SER 2 2HB SER 2 10.008 -12.681 6.558
8 HG SER 2 HG SER 2 10.862 -12.263 3.943
9 H SER 3 H SER 3 11.579 -16.539 4.728
10 HA SER 3 HA SER 3 11.418 -16.040 1.859
11 HB2 SER 3 1HB SER 3 12.576 -18.194 3.573
12 HB3 SER 3 2HB SER 3 12.112 -18.602 1.921
13 HG SER 3 HG SER 3 13.510 -17.025 1.168
14 H GLY 4 H GLY 4 9.754 -16.636 0.618
15 HA2 GLY 4 1HA GLY 4 8.198 -18.839 0.642
16 HA3 GLY 4 2HA GLY 4 7.440 -17.839 1.873
17 H SER 5 H SER 5 6.481 -18.770 -0.782
18 HA SER 5 HA SER 5 5.669 -16.134 -1.784
19 HB2 SER 5 1HB SER 5 5.907 -16.884 -4.106
20 HB3 SER 5 2HB SER 5 7.457 -16.966 -3.268
21 HG SER 5 HG SER 5 6.329 -18.890 -4.577
22 H SER 6 H SER 6 3.538 -15.996 -1.688
23 HA SER 6 HA SER 6 1.949 -18.460 -1.974
24 HB2 SER 6 1HB SER 6 1.159 -15.901 -0.563
25 HB3 SER 6 2HB SER 6 0.243 -17.407 -0.598
26 HG SER 6 HG SER 6 2.876 -17.259 0.423
27 H GLY 7 H GLY 7 1.851 -14.957 -2.626
28 HA2 GLY 7 1HA GLY 7 0.273 -15.572 -5.046
29 HA3 GLY 7 2HA GLY 7 -0.136 -14.218 -4.003
30 H GLU 8 H GLU 8 2.025 -15.420 -6.438
31 HA GLU 8 HA GLU 8 4.023 -13.511 -6.447
32 HB2 GLU 8 1HB GLU 8 2.715 -15.085 -8.644
33 HB3 GLU 8 2HB GLU 8 3.964 -13.905 -9.016
34 HG2 GLU 8 1HG GLU 8 5.590 -15.088 -7.785
35 HG3 GLU 8 2HG GLU 8 4.374 -16.116 -7.028
36 H LYS 9 H LYS 9 0.696 -13.128 -7.146
37 HA LYS 9 HA LYS 9 1.193 -10.487 -8.349
38 HB2 LYS 9 1HB LYS 9 -1.081 -12.431 -8.595
39 HB3 LYS 9 2HB LYS 9 -1.330 -10.723 -8.935
40 HG2 LYS 9 1HG LYS 9 -0.883 -11.656 -11.016
41 HG3 LYS 9 2HG LYS 9 0.658 -10.943 -10.532
42 HD2 LYS 9 1HD LYS 9 1.234 -13.059 -11.349
43 HD3 LYS 9 2HD LYS 9 1.218 -13.263 -9.595
44 HE2 LYS 9 1HE LYS 9 -1.260 -13.969 -9.979
45 HE3 LYS 9 2HE LYS 9 -0.735 -14.237 -11.640
46 HZ1 LYS 9 3HZ LYS 9 0.342 -16.084 -11.065
47 HZ2 LYS 9 1HZ LYS 9 -0.524 -16.022 -9.613
48 HZ3 LYS 9 2HZ LYS 9 1.039 -15.380 -9.694
49 H LEU 10 H LEU 10 1.380 -9.168 -6.599
50 HA LEU 10 HA LEU 10 -1.027 -8.857 -4.957
51 HB2 LEU 10 1HB LEU 10 1.793 -9.103 -3.938
52 HB3 LEU 10 2HB LEU 10 0.476 -8.428 -2.981
53 HG LEU 10 HG LEU 10 0.304 -11.198 -4.121
54 HD11 LEU 10 1HD1 LEU 10 1.225 -12.086 -2.078
55 HD12 LEU 10 2HD1 LEU 10 1.479 -10.460 -1.445
56 HD13 LEU 10 3HD1 LEU 10 2.406 -11.019 -2.837
57 HD21 LEU 10 3HD2 LEU 10 -1.121 -11.453 -2.044
58 HD22 LEU 10 1HD2 LEU 10 -1.766 -10.406 -3.309
59 HD23 LEU 10 2HD2 LEU 10 -1.021 -9.700 -1.874
60 H HIS 11 H HIS 11 -1.663 -6.803 -4.800
61 HA HIS 11 HA HIS 11 -0.386 -4.739 -6.213
62 HB2 HIS 11 1HB HIS 11 -2.625 -4.821 -4.217
63 HB3 HIS 11 2HB HIS 11 -1.997 -3.273 -4.775
64 HD2 HIS 11 HD2 HIS 11 -4.011 -6.323 -6.166
65 HE1 HIS 11 HE1 HIS 11 -4.152 -3.180 -9.013
66 HE2 HIS 11 HE2 HIS 11 -5.081 -5.423 -8.343
67 H GLU 12 H GLU 12 0.210 -2.593 -5.186
68 HA GLU 12 HA GLU 12 1.369 -2.744 -2.539
69 HB2 GLU 12 1HB GLU 12 3.624 -2.471 -3.123
70 HB3 GLU 12 2HB GLU 12 3.050 -3.731 -4.205
71 HG2 GLU 12 1HG GLU 12 3.301 -0.824 -4.939
72 HG3 GLU 12 2HG GLU 12 4.494 -2.068 -5.311
73 H CYS 13 H CYS 13 2.412 -0.639 -1.933
74 HA CYS 13 HA CYS 13 0.687 1.515 -2.744
75 HB2 CYS 13 1HB CYS 13 1.680 1.009 -0.385
76 HB3 CYS 13 2HB CYS 13 3.093 1.872 -0.985
77 H SER 14 H SER 14 1.802 3.746 -3.052
78 HA SER 14 HA SER 14 3.849 3.412 -5.143
79 HB2 SER 14 1HB SER 14 1.570 4.334 -5.799
80 HB3 SER 14 2HB SER 14 1.977 5.766 -4.852
81 HG SER 14 HG SER 14 3.213 6.413 -6.418
82 H GLU 15 H GLU 15 3.044 4.980 -2.167
83 HA GLU 15 HA GLU 15 5.264 6.848 -2.338
84 HB2 GLU 15 1HB GLU 15 3.153 6.329 -0.250
85 HB3 GLU 15 2HB GLU 15 4.498 7.428 0.026
86 HG2 GLU 15 1HG GLU 15 2.504 8.628 -0.663
87 HG3 GLU 15 2HG GLU 15 3.792 8.795 -1.855
88 H CYS 16 H CYS 16 4.285 4.105 -0.295
89 HA CYS 16 HA CYS 16 7.033 3.937 0.722
90 HB2 CYS 16 1HB CYS 16 6.130 2.532 2.495
91 HB3 CYS 16 2HB CYS 16 5.220 4.036 2.397
92 H ARG 17 H ARG 17 4.906 2.492 -1.485
93 HA ARG 17 HA ARG 17 5.047 0.662 -2.828
94 HB2 ARG 17 1HB ARG 17 7.922 0.694 -1.895
95 HB3 ARG 17 2HB ARG 17 7.308 -0.302 -3.207
96 HG2 ARG 17 1HG ARG 17 7.142 2.700 -3.185
97 HG3 ARG 17 2HG ARG 17 8.472 1.795 -3.911
98 HD2 ARG 17 1HD ARG 17 5.668 1.129 -4.675
99 HD3 ARG 17 2HD ARG 17 6.423 2.569 -5.356
100 HE ARG 17 HE ARG 17 8.275 0.703 -5.847
101 HH11 ARG 17 1HH1 ARG 17 4.829 0.719 -6.346
102 HH12 ARG 17 2HH1 ARG 17 4.892 -0.335 -7.720
103 HH21 ARG 17 1HH2 ARG 17 8.370 -0.685 -7.654
104 HH22 ARG 17 2HH2 ARG 17 6.907 -1.133 -8.462
105 H LYS 18 H LYS 18 4.049 0.261 -0.246
106 HA LYS 18 HA LYS 18 5.204 -2.245 0.699
107 HB2 LYS 18 1HB LYS 18 4.515 -0.443 2.297
108 HB3 LYS 18 2HB LYS 18 2.847 -0.711 1.807
109 HG2 LYS 18 1HG LYS 18 2.966 -3.005 2.623
110 HG3 LYS 18 2HG LYS 18 4.647 -2.753 3.099
111 HD2 LYS 18 1HD LYS 18 4.080 -1.374 4.859
112 HD3 LYS 18 2HD LYS 18 2.541 -0.905 4.133
113 HE2 LYS 18 1HE LYS 18 2.170 -2.343 6.053
114 HE3 LYS 18 2HE LYS 18 1.662 -3.153 4.572
115 HZ1 LYS 18 3HZ LYS 18 4.080 -3.666 6.197
116 HZ2 LYS 18 1HZ LYS 18 3.941 -4.218 4.604
117 HZ3 LYS 18 2HZ LYS 18 2.847 -4.746 5.781
118 H THR 19 H THR 19 4.255 -4.210 0.508
119 HA THR 19 HA THR 19 2.127 -4.466 -1.430
120 HB THR 19 HB THR 19 2.483 -6.889 -1.215
121 HG1 THR 19 HG1 THR 19 3.146 -6.613 1.118
122 HG21 THR 19 3HG2 THR 19 4.943 -5.181 -1.542
123 HG22 THR 19 1HG2 THR 19 3.888 -5.818 -2.803
124 HG23 THR 19 2HG2 THR 19 4.923 -6.910 -1.884
125 H PHE 20 H PHE 20 0.168 -5.627 -1.074
126 HA PHE 20 HA PHE 20 -0.648 -5.966 1.718
127 HB2 PHE 20 1HB PHE 20 -2.167 -4.353 -0.340
128 HB3 PHE 20 2HB PHE 20 -2.817 -4.838 1.222
129 HD1 PHE 20 HD1 PHE 20 -0.018 -2.947 -0.325
130 HD2 PHE 20 HD2 PHE 20 -2.513 -3.489 3.081
131 HE1 PHE 20 HE1 PHE 20 0.944 -0.926 0.697
132 HE2 PHE 20 HE2 PHE 20 -1.555 -1.468 4.108
133 HZ PHE 20 HZ PHE 20 0.174 -0.183 2.915
134 H SER 21 H SER 21 -1.851 -7.739 2.059
135 HA SER 21 HA SER 21 -2.101 -9.732 0.136
136 HB2 SER 21 1HB SER 21 -3.336 -9.273 2.825
137 HB3 SER 21 2HB SER 21 -3.933 -10.596 1.823
138 HG SER 21 HG SER 21 -1.285 -10.185 2.751
139 H PHE 22 H PHE 22 -4.557 -7.463 1.338
140 HA PHE 22 HA PHE 22 -6.246 -8.197 -0.960
141 HB2 PHE 22 1HB PHE 22 -7.184 -6.826 1.559
142 HB3 PHE 22 2HB PHE 22 -8.170 -7.581 0.311
143 HD1 PHE 22 HD1 PHE 22 -5.745 -8.277 3.015
144 HD2 PHE 22 HD2 PHE 22 -8.723 -9.858 0.417
145 HE1 PHE 22 HE1 PHE 22 -5.737 -10.381 4.291
146 HE2 PHE 22 HE2 PHE 22 -8.720 -11.963 1.689
147 HZ PHE 22 HZ PHE 22 -7.226 -12.227 3.629
148 H HIS 23 H HIS 23 -6.348 -6.750 -2.532
149 HA HIS 23 HA HIS 23 -5.092 -4.331 -2.653
150 HB2 HIS 23 1HB HIS 23 -6.169 -5.558 -4.564
151 HB3 HIS 23 2HB HIS 23 -7.719 -4.914 -4.031
152 HD2 HIS 23 HD2 HIS 23 -7.111 -1.809 -3.678
153 HE1 HIS 23 HE1 HIS 23 -5.365 -1.985 -7.540
154 HE2 HIS 23 HE2 HIS 23 -6.234 -0.481 -5.717
155 H SER 24 H SER 24 -8.464 -4.898 -1.689
156 HA SER 24 HA SER 24 -9.443 -2.396 -1.385
157 HB2 SER 24 1HB SER 24 -10.845 -4.234 -0.812
158 HB3 SER 24 2HB SER 24 -9.743 -4.772 0.455
159 HG SER 24 HG SER 24 -11.072 -3.656 1.664
160 H GLN 25 H GLN 25 -7.307 -4.046 0.917
161 HA GLN 25 HA GLN 25 -7.250 -2.041 2.870
162 HB2 GLN 25 1HB GLN 25 -5.484 -4.326 2.137
163 HB3 GLN 25 2HB GLN 25 -4.843 -3.110 3.234
164 HG2 GLN 25 1HG GLN 25 -7.525 -4.257 3.799
165 HG3 GLN 25 2HG GLN 25 -6.097 -5.239 4.121
166 HE21 GLN 25 1HE2 GLN 25 -6.248 -5.224 6.316
167 HE22 GLN 25 2HE2 GLN 25 -6.042 -3.805 7.280
168 H LEU 26 H LEU 26 -4.814 -2.725 0.352
169 HA LEU 26 HA LEU 26 -3.022 -0.770 0.663
170 HB2 LEU 26 1HB LEU 26 -2.705 -2.135 -1.188
171 HB3 LEU 26 2HB LEU 26 -4.312 -1.802 -1.830
172 HG LEU 26 HG LEU 26 -3.570 0.463 -2.452
173 HD11 LEU 26 1HD1 LEU 26 -1.815 0.647 -0.702
174 HD12 LEU 26 2HD1 LEU 26 -1.269 1.110 -2.313
175 HD13 LEU 26 3HD1 LEU 26 -0.818 -0.459 -1.646
176 HD21 LEU 26 3HD2 LEU 26 -3.025 -1.921 -3.717
177 HD22 LEU 26 1HD2 LEU 26 -1.475 -1.081 -3.753
178 HD23 LEU 26 2HD2 LEU 26 -2.908 -0.314 -4.436
179 H VAL 27 H VAL 27 -5.780 -0.164 -1.514
180 HA VAL 27 HA VAL 27 -5.598 2.487 -1.905
181 HB VAL 27 HB VAL 27 -8.228 1.198 -1.177
182 HG11 VAL 27 1HG1 VAL 27 -7.929 3.211 -3.335
183 HG12 VAL 27 2HG1 VAL 27 -9.269 2.932 -2.222
184 HG13 VAL 27 3HG1 VAL 27 -7.823 3.778 -1.669
185 HG21 VAL 27 3HG2 VAL 27 -8.011 -0.165 -2.917
186 HG22 VAL 27 1HG2 VAL 27 -7.818 1.230 -3.979
187 HG23 VAL 27 2HG2 VAL 27 -6.402 0.481 -3.240
188 H ILE 28 H ILE 28 -7.049 1.000 0.977
189 HA ILE 28 HA ILE 28 -7.764 3.401 2.259
190 HB ILE 28 HB ILE 28 -7.065 0.749 3.526
191 HG12 ILE 28 1HG1 ILE 28 -9.824 1.800 2.922
192 HG13 ILE 28 2HG1 ILE 28 -8.926 0.836 1.754
193 HG21 ILE 28 1HG2 ILE 28 -8.850 2.874 4.670
194 HG22 ILE 28 2HG2 ILE 28 -8.131 1.484 5.481
195 HG23 ILE 28 3HG2 ILE 28 -7.116 2.839 4.988
196 HD11 ILE 28 3HD1 ILE 28 -9.422 -0.128 4.546
197 HD12 ILE 28 1HD1 ILE 28 -10.592 -0.366 3.248
198 HD13 ILE 28 2HD1 ILE 28 -8.976 -1.060 3.117
199 H HIS 29 H HIS 29 -4.806 1.479 2.317
200 HA HIS 29 HA HIS 29 -3.516 2.874 4.402
201 HB2 HIS 29 1HB HIS 29 -2.585 0.786 3.855
202 HB3 HIS 29 2HB HIS 29 -2.531 1.159 2.135
203 HD1 HIS 29 HD1 HIS 29 -0.603 1.498 5.281
204 HD2 HIS 29 HD2 HIS 29 -0.351 2.800 1.344
205 HE1 HIS 29 HE1 HIS 29 1.742 2.365 5.008
206 H GLN 30 H GLN 30 -3.041 3.123 0.873
207 HA GLN 30 HA GLN 30 -1.248 5.084 0.610
208 HB2 GLN 30 1HB GLN 30 -3.884 4.909 -0.856
209 HB3 GLN 30 2HB GLN 30 -2.545 5.933 -1.358
210 HG2 GLN 30 1HG GLN 30 -1.134 3.910 -1.562
211 HG3 GLN 30 2HG GLN 30 -2.550 2.929 -1.184
212 HE21 GLN 30 1HE2 GLN 30 -1.060 2.699 -3.543
213 HE22 GLN 30 2HE2 GLN 30 -2.065 3.160 -4.869
214 H ARG 31 H ARG 31 -4.475 5.498 1.880
215 HA ARG 31 HA ARG 31 -4.780 8.245 1.738
216 HB2 ARG 31 1HB ARG 31 -5.625 6.417 3.993
217 HB3 ARG 31 2HB ARG 31 -6.255 8.031 3.696
218 HG2 ARG 31 1HG ARG 31 -7.051 7.221 1.469
219 HG3 ARG 31 2HG ARG 31 -6.586 5.593 1.968
220 HD2 ARG 31 1HD ARG 31 -8.801 5.608 2.566
221 HD3 ARG 31 2HD ARG 31 -8.052 6.153 4.066
222 HE ARG 31 HE ARG 31 -8.979 8.241 3.749
223 HH11 ARG 31 1HH1 ARG 31 -9.418 6.289 0.900
224 HH12 ARG 31 2HH1 ARG 31 -10.537 7.387 0.162
225 HH21 ARG 31 1HH2 ARG 31 -10.451 9.694 2.788
226 HH22 ARG 31 2HH2 ARG 31 -11.123 9.324 1.236
227 H ILE 32 H ILE 32 -3.449 6.407 4.493
228 HA ILE 32 HA ILE 32 -2.741 8.275 6.252
229 HB ILE 32 HB ILE 32 -0.905 6.976 6.971
230 HG12 ILE 32 1HG1 ILE 32 -0.789 5.880 4.153
231 HG13 ILE 32 2HG1 ILE 32 0.393 6.936 4.920
232 HG21 ILE 32 1HG2 ILE 32 -1.789 4.763 7.041
233 HG22 ILE 32 2HG2 ILE 32 -3.153 5.880 7.017
234 HG23 ILE 32 3HG2 ILE 32 -2.695 5.016 5.549
235 HD11 ILE 32 3HD1 ILE 32 1.167 4.633 4.828
236 HD12 ILE 32 1HD1 ILE 32 0.959 5.173 6.494
237 HD13 ILE 32 2HD1 ILE 32 -0.243 4.116 5.752
238 H HIS 33 H HIS 33 -1.215 7.838 3.121
239 HA HIS 33 HA HIS 33 0.869 9.753 3.613
240 HB2 HIS 33 1HB HIS 33 -0.098 8.540 1.016
241 HB3 HIS 33 2HB HIS 33 1.378 9.480 1.217
242 HD1 HIS 33 HD1 HIS 33 2.852 8.296 3.422
243 HD2 HIS 33 HD2 HIS 33 0.548 5.931 0.900
244 HE1 HIS 33 HE1 HIS 33 3.775 5.968 3.654
245 H THR 34 H THR 34 -1.967 9.730 1.449
246 HA THR 34 HA THR 34 -1.920 12.676 1.513
247 HB THR 34 HB THR 34 -1.570 11.793 -0.737
248 HG1 THR 34 HG1 THR 34 -2.943 13.208 -1.605
249 HG21 THR 34 3HG2 THR 34 -4.330 10.639 -0.749
250 HG22 THR 34 1HG2 THR 34 -2.978 9.673 -0.160
251 HG23 THR 34 2HG2 THR 34 -2.967 10.291 -1.811
252 H GLY 35 H GLY 35 -3.262 13.145 3.197
253 HA2 GLY 35 1HA GLY 35 -5.791 13.632 3.199
254 HA3 GLY 35 2HA GLY 35 -5.921 11.880 3.220
255 H GLU 36 H GLU 36 -7.040 13.492 5.200
256 HA GLU 36 HA GLU 36 -5.292 12.947 7.509
257 HB2 GLU 36 1HB GLU 36 -6.777 14.655 8.681
258 HB3 GLU 36 2HB GLU 36 -5.664 15.274 7.470
259 HG2 GLU 36 1HG GLU 36 -7.572 15.204 5.836
260 HG3 GLU 36 2HG GLU 36 -8.627 14.864 7.206
261 H ASN 37 H ASN 37 -5.880 11.027 8.313
262 HA ASN 37 HA ASN 37 -8.752 10.557 8.778
263 HB2 ASN 37 1HB ASN 37 -6.575 8.665 7.926
264 HB3 ASN 37 2HB ASN 37 -8.015 8.070 8.747
265 HD21 ASN 37 1HD2 ASN 37 -10.093 9.135 7.769
266 HD22 ASN 37 2HD2 ASN 37 -10.197 9.035 6.047
267 HA PRO 38 HA PRO 38 -7.931 10.134 13.069
268 HB2 PRO 38 1HB PRO 38 -9.714 8.215 13.778
269 HB3 PRO 38 2HB PRO 38 -10.193 9.864 13.360
270 HG2 PRO 38 1HG PRO 38 -10.248 7.391 11.674
271 HG3 PRO 38 2HG PRO 38 -11.467 8.670 11.824
272 HD2 PRO 38 1HD PRO 38 -9.733 8.546 9.748
273 HD3 PRO 38 2HD PRO 38 -10.341 10.084 10.393
274 H SER 39 H SER 39 -7.180 7.708 10.888
275 HA SER 39 HA SER 39 -5.533 6.349 12.882
276 HB2 SER 39 1HB SER 39 -7.668 5.051 12.643
277 HB3 SER 39 2HB SER 39 -7.269 4.804 10.943
278 HG SER 39 HG SER 39 -6.604 3.064 12.324
279 H GLY 40 H GLY 40 -3.565 5.762 12.130
280 HA2 GLY 40 1HA GLY 40 -2.438 4.835 10.031
281 HA3 GLY 40 2HA GLY 40 -3.045 6.302 9.278
282 HA PRO 41 HA PRO 41 0.446 7.477 12.463
283 HB2 PRO 41 1HB PRO 41 2.189 5.464 12.992
284 HB3 PRO 41 2HB PRO 41 0.758 5.780 13.980
285 HG2 PRO 41 1HG PRO 41 1.156 3.746 11.821
286 HG3 PRO 41 2HG PRO 41 0.366 3.563 13.397
287 HD2 PRO 41 1HD PRO 41 -1.027 3.903 11.101
288 HD3 PRO 41 2HD PRO 41 -1.599 4.519 12.664
289 H SER 42 H SER 42 1.852 8.661 11.346
290 HA SER 42 HA SER 42 2.705 8.203 8.772
291 HB2 SER 42 1HB SER 42 4.137 9.771 10.931
292 HB3 SER 42 2HB SER 42 4.460 9.898 9.202
293 HG SER 42 HG SER 42 2.034 10.523 10.535
294 H SER 43 H SER 43 4.432 7.451 11.783
295 HA SER 43 HA SER 43 6.843 6.594 10.943
296 HB2 SER 43 1HB SER 43 5.004 5.341 12.980
297 HB3 SER 43 2HB SER 43 6.650 4.762 12.724
298 HG SER 43 HG SER 43 5.830 6.856 14.156
299 H GLY 44 H GLY 44 7.774 4.701 10.125
300 HA2 GLY 44 1HA GLY 44 7.723 2.518 9.215
301 HA3 GLY 44 2HA GLY 44 5.972 2.628 9.113
Start of MODEL 3
1 H1 GLY 1 H GLY 1 19.164 -7.760 -14.249
2 HA2 GLY 1 1HA GLY 1 20.933 -9.562 -15.742
3 HA3 GLY 1 2HA GLY 1 20.804 -9.775 -14.002
4 H SER 2 H SER 2 19.972 -11.876 -14.286
5 HA SER 2 HA SER 2 17.186 -11.936 -15.249
6 HB2 SER 2 1HB SER 2 19.442 -13.848 -15.650
7 HB3 SER 2 2HB SER 2 17.816 -14.510 -15.484
8 HG SER 2 HG SER 2 18.526 -13.958 -17.679
9 H SER 3 H SER 3 16.539 -11.368 -13.089
10 HA SER 3 HA SER 3 17.142 -12.501 -10.712
11 HB2 SER 3 1HB SER 3 14.401 -11.781 -11.765
12 HB3 SER 3 2HB SER 3 14.720 -12.176 -10.076
13 HG SER 3 HG SER 3 14.804 -9.929 -10.428
14 H GLY 4 H GLY 4 14.698 -13.817 -12.955
15 HA2 GLY 4 1HA GLY 4 15.001 -16.309 -13.302
16 HA3 GLY 4 2HA GLY 4 14.955 -16.400 -11.548
17 H SER 5 H SER 5 13.121 -17.513 -11.182
18 HA SER 5 HA SER 5 10.689 -16.837 -12.627
19 HB2 SER 5 1HB SER 5 9.717 -18.781 -11.534
20 HB3 SER 5 2HB SER 5 11.290 -19.213 -12.205
21 HG SER 5 HG SER 5 11.075 -19.998 -10.088
22 H SER 6 H SER 6 9.094 -15.603 -11.861
23 HA SER 6 HA SER 6 9.087 -14.945 -8.991
24 HB2 SER 6 1HB SER 6 9.989 -13.023 -10.144
25 HB3 SER 6 2HB SER 6 8.675 -13.057 -11.320
26 HG SER 6 HG SER 6 8.552 -12.402 -8.571
27 H GLY 7 H GLY 7 7.205 -15.294 -8.005
28 HA2 GLY 7 1HA GLY 7 4.763 -15.392 -9.662
29 HA3 GLY 7 2HA GLY 7 5.106 -16.630 -8.463
30 H GLU 8 H GLU 8 4.939 -13.071 -8.657
31 HA GLU 8 HA GLU 8 3.148 -13.085 -6.349
32 HB2 GLU 8 1HB GLU 8 5.866 -11.852 -6.442
33 HB3 GLU 8 2HB GLU 8 4.594 -11.013 -5.565
34 HG2 GLU 8 1HG GLU 8 4.209 -13.203 -4.337
35 HG3 GLU 8 2HG GLU 8 5.741 -13.731 -5.031
36 H LYS 9 H LYS 9 1.404 -12.104 -7.130
37 HA LYS 9 HA LYS 9 1.776 -9.666 -8.746
38 HB2 LYS 9 1HB LYS 9 -0.648 -11.464 -8.799
39 HB3 LYS 9 2HB LYS 9 -0.255 -10.159 -9.911
40 HG2 LYS 9 1HG LYS 9 1.654 -12.421 -9.685
41 HG3 LYS 9 2HG LYS 9 0.133 -12.689 -10.540
42 HD2 LYS 9 1HD LYS 9 1.877 -10.325 -11.157
43 HD3 LYS 9 2HD LYS 9 2.169 -11.900 -11.899
44 HE2 LYS 9 1HE LYS 9 0.795 -10.931 -13.463
45 HE3 LYS 9 2HE LYS 9 -0.386 -11.769 -12.458
46 HZ1 LYS 9 3HZ LYS 9 -1.328 -9.851 -11.912
47 HZ2 LYS 9 1HZ LYS 9 -0.366 -9.097 -13.082
48 HZ3 LYS 9 2HZ LYS 9 0.149 -9.154 -11.472
49 H LEU 10 H LEU 10 1.693 -9.805 -5.854
50 HA LEU 10 HA LEU 10 -0.910 -8.937 -5.002
51 HB2 LEU 10 1HB LEU 10 1.779 -8.945 -3.647
52 HB3 LEU 10 2HB LEU 10 0.296 -8.398 -2.868
53 HG LEU 10 HG LEU 10 -0.514 -10.830 -3.579
54 HD11 LEU 10 1HD1 LEU 10 2.480 -11.047 -3.352
55 HD12 LEU 10 2HD1 LEU 10 1.460 -11.542 -4.702
56 HD13 LEU 10 3HD1 LEU 10 1.380 -12.414 -3.172
57 HD21 LEU 10 3HD2 LEU 10 -0.174 -11.494 -1.349
58 HD22 LEU 10 1HD2 LEU 10 -0.318 -9.737 -1.293
59 HD23 LEU 10 2HD2 LEU 10 1.271 -10.495 -1.185
60 H HIS 11 H HIS 11 -1.607 -6.885 -4.562
61 HA HIS 11 HA HIS 11 -0.398 -4.754 -6.008
62 HB2 HIS 11 1HB HIS 11 -2.787 -5.058 -4.250
63 HB3 HIS 11 2HB HIS 11 -2.185 -3.431 -4.550
64 HD2 HIS 11 HD2 HIS 11 -4.145 -6.229 -6.351
65 HE1 HIS 11 HE1 HIS 11 -3.670 -3.014 -9.079
66 HE2 HIS 11 HE2 HIS 11 -4.870 -5.176 -8.601
67 H GLU 12 H GLU 12 0.416 -2.766 -5.170
68 HA GLU 12 HA GLU 12 1.259 -2.774 -2.370
69 HB2 GLU 12 1HB GLU 12 3.547 -2.419 -2.832
70 HB3 GLU 12 2HB GLU 12 3.070 -3.770 -3.850
71 HG2 GLU 12 1HG GLU 12 3.035 -0.980 -4.918
72 HG3 GLU 12 2HG GLU 12 4.538 -1.897 -4.840
73 H CYS 13 H CYS 13 2.488 -0.600 -1.939
74 HA CYS 13 HA CYS 13 0.679 1.499 -2.779
75 HB2 CYS 13 1HB CYS 13 1.675 1.085 -0.400
76 HB3 CYS 13 2HB CYS 13 3.075 1.948 -1.030
77 H SER 14 H SER 14 1.676 3.697 -3.275
78 HA SER 14 HA SER 14 3.814 3.317 -5.264
79 HB2 SER 14 1HB SER 14 1.531 4.055 -6.079
80 HB3 SER 14 2HB SER 14 1.794 5.566 -5.208
81 HG SER 14 HG SER 14 2.557 5.041 -7.625
82 H GLU 15 H GLU 15 3.005 4.818 -2.327
83 HA GLU 15 HA GLU 15 5.054 6.886 -2.609
84 HB2 GLU 15 1HB GLU 15 2.967 6.349 -0.498
85 HB3 GLU 15 2HB GLU 15 4.224 7.562 -0.305
86 HG2 GLU 15 1HG GLU 15 2.317 8.708 -1.059
87 HG3 GLU 15 2HG GLU 15 3.398 8.596 -2.446
88 H CYS 16 H CYS 16 4.212 4.175 -0.468
89 HA CYS 16 HA CYS 16 6.977 4.192 0.537
90 HB2 CYS 16 1HB CYS 16 6.120 2.878 2.435
91 HB3 CYS 16 2HB CYS 16 5.280 4.418 2.280
92 H ARG 17 H ARG 17 4.849 2.540 -1.498
93 HA ARG 17 HA ARG 17 5.019 0.619 -2.704
94 HB2 ARG 17 1HB ARG 17 7.865 0.619 -1.683
95 HB3 ARG 17 2HB ARG 17 7.251 -0.382 -2.992
96 HG2 ARG 17 1HG ARG 17 7.289 2.628 -3.014
97 HG3 ARG 17 2HG ARG 17 8.507 1.596 -3.767
98 HD2 ARG 17 1HD ARG 17 6.425 0.523 -4.940
99 HD3 ARG 17 2HD ARG 17 5.663 2.061 -4.541
100 HE ARG 17 HE ARG 17 8.206 2.344 -5.846
101 HH11 ARG 17 1HH1 ARG 17 4.784 1.907 -6.316
102 HH12 ARG 17 2HH1 ARG 17 4.783 2.589 -7.908
103 HH21 ARG 17 1HH2 ARG 17 8.218 3.243 -7.942
104 HH22 ARG 17 2HH2 ARG 17 6.737 3.348 -8.833
105 H LYS 18 H LYS 18 3.799 0.335 -0.305
106 HA LYS 18 HA LYS 18 4.934 -2.045 0.967
107 HB2 LYS 18 1HB LYS 18 4.012 0.014 2.243
108 HB3 LYS 18 2HB LYS 18 2.428 -0.643 1.853
109 HG2 LYS 18 1HG LYS 18 2.785 -2.567 3.137
110 HG3 LYS 18 2HG LYS 18 4.527 -2.293 3.219
111 HD2 LYS 18 1HD LYS 18 2.619 -0.299 4.382
112 HD3 LYS 18 2HD LYS 18 3.058 -1.750 5.287
113 HE2 LYS 18 1HE LYS 18 5.184 -0.023 4.086
114 HE3 LYS 18 2HE LYS 18 4.425 0.440 5.609
115 HZ1 LYS 18 3HZ LYS 18 5.081 -1.688 6.543
116 HZ2 LYS 18 1HZ LYS 18 6.435 -0.848 5.973
117 HZ3 LYS 18 2HZ LYS 18 5.803 -2.138 5.081
118 H THR 19 H THR 19 4.129 -4.027 0.667
119 HA THR 19 HA THR 19 1.997 -4.394 -1.248
120 HB THR 19 HB THR 19 2.489 -6.782 -1.074
121 HG1 THR 19 HG1 THR 19 3.324 -7.483 0.731
122 HG21 THR 19 3HG2 THR 19 5.217 -5.619 -1.101
123 HG22 THR 19 1HG2 THR 19 4.050 -4.960 -2.247
124 HG23 THR 19 2HG2 THR 19 4.429 -6.683 -2.265
125 H PHE 20 H PHE 20 0.153 -5.779 -0.859
126 HA PHE 20 HA PHE 20 -0.630 -6.127 1.932
127 HB2 PHE 20 1HB PHE 20 -2.273 -4.592 -0.091
128 HB3 PHE 20 2HB PHE 20 -2.856 -5.107 1.488
129 HD1 PHE 20 HD1 PHE 20 -0.326 -2.991 -0.195
130 HD2 PHE 20 HD2 PHE 20 -2.454 -3.819 3.398
131 HE1 PHE 20 HE1 PHE 20 0.551 -0.918 0.799
132 HE2 PHE 20 HE2 PHE 20 -1.580 -1.747 4.397
133 HZ PHE 20 HZ PHE 20 -0.076 -0.293 3.097
134 H SER 21 H SER 21 -2.153 -7.746 2.277
135 HA SER 21 HA SER 21 -2.107 -9.947 0.614
136 HB2 SER 21 1HB SER 21 -3.964 -10.829 1.945
137 HB3 SER 21 2HB SER 21 -2.792 -10.021 2.986
138 HG SER 21 HG SER 21 -4.637 -9.152 3.656
139 H PHE 22 H PHE 22 -4.543 -7.382 0.800
140 HA PHE 22 HA PHE 22 -5.484 -8.184 -1.860
141 HB2 PHE 22 1HB PHE 22 -7.356 -7.386 0.373
142 HB3 PHE 22 2HB PHE 22 -7.796 -7.949 -1.236
143 HD1 PHE 22 HD2 PHE 22 -7.117 -10.335 -1.870
144 HD2 PHE 22 HD1 PHE 22 -7.151 -8.883 2.132
145 HE1 PHE 22 HE2 PHE 22 -7.205 -12.647 -1.035
146 HE2 PHE 22 HE1 PHE 22 -7.238 -11.194 2.972
147 HZ PHE 22 HZ PHE 22 -7.266 -13.080 1.388
148 H HIS 23 H HIS 23 -6.113 -6.518 -3.193
149 HA HIS 23 HA HIS 23 -4.941 -4.041 -2.924
150 HB2 HIS 23 1HB HIS 23 -6.085 -5.174 -4.975
151 HB3 HIS 23 2HB HIS 23 -7.525 -4.323 -4.425
152 HD2 HIS 23 HD2 HIS 23 -5.666 -1.551 -3.616
153 HE1 HIS 23 HE1 HIS 23 -5.189 -1.467 -7.830
154 HE2 HIS 23 HE2 HIS 23 -4.927 -0.181 -5.681
155 H SER 24 H SER 24 -8.239 -4.999 -2.057
156 HA SER 24 HA SER 24 -9.485 -2.694 -1.468
157 HB2 SER 24 1HB SER 24 -9.456 -5.341 -0.096
158 HB3 SER 24 2HB SER 24 -10.273 -4.005 0.715
159 HG SER 24 HG SER 24 -10.821 -4.389 -1.989
160 H GLN 25 H GLN 25 -7.401 -4.347 0.913
161 HA GLN 25 HA GLN 25 -7.404 -2.330 2.829
162 HB2 GLN 25 1HB GLN 25 -5.441 -4.506 2.166
163 HB3 GLN 25 2HB GLN 25 -5.119 -3.363 3.463
164 HG2 GLN 25 1HG GLN 25 -6.136 -5.510 4.196
165 HG3 GLN 25 2HG GLN 25 -7.035 -4.071 4.674
166 HE21 GLN 25 1HE2 GLN 25 -6.864 -6.282 1.898
167 HE22 GLN 25 2HE2 GLN 25 -8.573 -6.455 1.715
168 H LEU 26 H LEU 26 -4.904 -2.987 0.370
169 HA LEU 26 HA LEU 26 -3.111 -1.036 0.779
170 HB2 LEU 26 1HB LEU 26 -2.729 -2.402 -1.065
171 HB3 LEU 26 2HB LEU 26 -4.304 -2.049 -1.772
172 HG LEU 26 HG LEU 26 -3.527 0.198 -2.369
173 HD11 LEU 26 1HD1 LEU 26 -1.938 0.810 -0.800
174 HD12 LEU 26 2HD1 LEU 26 -0.963 0.488 -2.234
175 HD13 LEU 26 3HD1 LEU 26 -1.058 -0.712 -0.946
176 HD21 LEU 26 3HD2 LEU 26 -2.112 -0.443 -4.181
177 HD22 LEU 26 1HD2 LEU 26 -3.250 -1.760 -3.898
178 HD23 LEU 26 2HD2 LEU 26 -1.585 -1.896 -3.331
179 H VAL 27 H VAL 27 -5.941 -0.478 -1.328
180 HA VAL 27 HA VAL 27 -5.733 2.176 -1.806
181 HB VAL 27 HB VAL 27 -8.353 0.910 -1.006
182 HG11 VAL 27 1HG1 VAL 27 -7.771 3.494 -1.761
183 HG12 VAL 27 2HG1 VAL 27 -8.309 2.743 -3.265
184 HG13 VAL 27 3HG1 VAL 27 -9.354 2.721 -1.843
185 HG21 VAL 27 3HG2 VAL 27 -8.020 -0.562 -2.647
186 HG22 VAL 27 1HG2 VAL 27 -8.142 0.795 -3.768
187 HG23 VAL 27 2HG2 VAL 27 -6.561 0.267 -3.190
188 H ILE 28 H ILE 28 -6.996 0.713 1.161
189 HA ILE 28 HA ILE 28 -7.770 3.116 2.417
190 HB ILE 28 HB ILE 28 -6.903 0.532 3.718
191 HG12 ILE 28 1HG1 ILE 28 -9.731 1.429 3.197
192 HG13 ILE 28 2HG1 ILE 28 -8.831 0.486 2.014
193 HG21 ILE 28 1HG2 ILE 28 -8.174 1.289 5.642
194 HG22 ILE 28 2HG2 ILE 28 -6.914 2.455 5.243
195 HG23 ILE 28 3HG2 ILE 28 -8.590 2.783 4.803
196 HD11 ILE 28 3HD1 ILE 28 -9.154 -1.405 3.133
197 HD12 ILE 28 1HD1 ILE 28 -8.739 -0.665 4.679
198 HD13 ILE 28 2HD1 ILE 28 -10.377 -0.516 4.040
199 H HIS 29 H HIS 29 -4.742 1.297 2.420
200 HA HIS 29 HA HIS 29 -3.423 2.813 4.398
201 HB2 HIS 29 1HB HIS 29 -2.451 0.731 3.881
202 HB3 HIS 29 2HB HIS 29 -2.456 1.060 2.151
203 HD1 HIS 29 HD1 HIS 29 -0.445 1.517 5.224
204 HD2 HIS 29 HD2 HIS 29 -0.363 2.775 1.265
205 HE1 HIS 29 HE1 HIS 29 1.859 2.458 4.865
206 H GLN 30 H GLN 30 -3.206 2.984 0.843
207 HA GLN 30 HA GLN 30 -1.457 4.983 0.436
208 HB2 GLN 30 1HB GLN 30 -4.119 4.531 -0.900
209 HB3 GLN 30 2HB GLN 30 -2.989 5.757 -1.458
210 HG2 GLN 30 1HG GLN 30 -1.284 3.858 -1.597
211 HG3 GLN 30 2HG GLN 30 -2.672 2.780 -1.458
212 HE21 GLN 30 1HE2 GLN 30 -4.448 3.201 -3.034
213 HE22 GLN 30 2HE2 GLN 30 -3.997 3.618 -4.649
214 H ARG 31 H ARG 31 -4.542 5.293 1.980
215 HA ARG 31 HA ARG 31 -4.982 8.040 1.718
216 HB2 ARG 31 1HB ARG 31 -5.677 6.226 4.035
217 HB3 ARG 31 2HB ARG 31 -6.351 7.828 3.764
218 HG2 ARG 31 1HG ARG 31 -7.333 7.051 1.659
219 HG3 ARG 31 2HG ARG 31 -6.675 5.441 1.957
220 HD2 ARG 31 1HD ARG 31 -8.782 5.157 2.789
221 HD3 ARG 31 2HD ARG 31 -7.961 5.721 4.243
222 HE ARG 31 HE ARG 31 -9.097 7.853 2.706
223 HH11 ARG 31 1HH1 ARG 31 -9.767 5.403 5.087
224 HH12 ARG 31 2HH1 ARG 31 -11.116 6.251 5.769
225 HH21 ARG 31 1HH2 ARG 31 -10.870 8.979 3.596
226 HH22 ARG 31 2HH2 ARG 31 -11.743 8.284 4.919
227 H ILE 32 H ILE 32 -3.423 6.295 4.410
228 HA ILE 32 HA ILE 32 -2.715 8.223 6.115
229 HB ILE 32 HB ILE 32 -0.803 7.005 6.763
230 HG12 ILE 32 1HG1 ILE 32 -0.760 5.884 3.953
231 HG13 ILE 32 2HG1 ILE 32 0.405 7.002 4.655
232 HG21 ILE 32 1HG2 ILE 32 -3.058 5.821 6.816
233 HG22 ILE 32 2HG2 ILE 32 -2.471 4.887 5.441
234 HG23 ILE 32 3HG2 ILE 32 -1.619 4.815 6.983
235 HD11 ILE 32 3HD1 ILE 32 1.024 5.243 6.285
236 HD12 ILE 32 1HD1 ILE 32 -0.047 4.133 5.431
237 HD13 ILE 32 2HD1 ILE 32 1.357 4.812 4.608
238 H HIS 33 H HIS 33 -1.413 7.848 2.891
239 HA HIS 33 HA HIS 33 0.682 9.778 3.227
240 HB2 HIS 33 1HB HIS 33 -0.533 8.546 0.747
241 HB3 HIS 33 2HB HIS 33 0.869 9.612 0.738
242 HD1 HIS 33 HD1 HIS 33 2.729 8.577 2.724
243 HD2 HIS 33 HD2 HIS 33 0.321 6.005 0.523
244 HE1 HIS 33 HE1 HIS 33 3.875 6.340 2.815
245 H THR 34 H THR 34 -2.466 9.783 1.570
246 HA THR 34 HA THR 34 -2.279 12.638 1.086
247 HB THR 34 HB THR 34 -4.452 12.402 -0.033
248 HG1 THR 34 HG1 THR 34 -4.353 9.898 1.213
249 HG21 THR 34 3HG2 THR 34 -2.341 11.898 -1.246
250 HG22 THR 34 1HG2 THR 34 -3.734 11.021 -1.879
251 HG23 THR 34 2HG2 THR 34 -2.563 10.193 -0.852
252 H GLY 35 H GLY 35 -2.440 13.721 3.005
253 HA2 GLY 35 1HA GLY 35 -5.013 14.119 4.103
254 HA3 GLY 35 2HA GLY 35 -4.085 13.069 5.164
255 H GLU 36 H GLU 36 -2.596 13.940 6.506
256 HA GLU 36 HA GLU 36 -2.372 16.863 6.473
257 HB2 GLU 36 1HB GLU 36 -1.360 16.375 8.823
258 HB3 GLU 36 2HB GLU 36 -3.098 16.263 8.588
259 HG2 GLU 36 1HG GLU 36 -1.444 13.816 8.237
260 HG3 GLU 36 2HG GLU 36 -1.776 14.400 9.867
261 H ASN 37 H ASN 37 -0.781 17.032 4.855
262 HA ASN 37 HA ASN 37 1.915 16.645 5.844
263 HB2 ASN 37 1HB ASN 37 1.415 15.620 3.079
264 HB3 ASN 37 2HB ASN 37 2.702 15.208 4.208
265 HD21 ASN 37 1HD2 ASN 37 2.447 13.525 5.571
266 HD22 ASN 37 2HD2 ASN 37 1.049 12.511 5.607
267 HA PRO 38 HA PRO 38 2.605 20.436 3.738
268 HB2 PRO 38 1HB PRO 38 5.263 20.253 3.217
269 HB3 PRO 38 2HB PRO 38 4.619 20.535 4.839
270 HG2 PRO 38 1HG PRO 38 5.572 17.984 3.596
271 HG3 PRO 38 2HG PRO 38 5.870 18.613 5.227
272 HD2 PRO 38 1HD PRO 38 4.011 16.712 4.716
273 HD3 PRO 38 2HD PRO 38 3.816 17.915 6.007
274 H SER 39 H SER 39 3.026 17.427 2.196
275 HA SER 39 HA SER 39 4.048 18.196 -0.300
276 HB2 SER 39 1HB SER 39 3.640 15.825 0.668
277 HB3 SER 39 2HB SER 39 2.015 15.999 0.005
278 HG SER 39 HG SER 39 4.483 16.033 -1.382
279 H GLY 40 H GLY 40 0.694 17.923 0.847
280 HA2 GLY 40 1HA GLY 40 -1.037 19.404 0.204
281 HA3 GLY 40 2HA GLY 40 -0.095 19.852 -1.210
282 HA PRO 41 HA PRO 41 -3.279 16.309 -1.965
283 HB2 PRO 41 1HB PRO 41 -5.534 17.714 -2.523
284 HB3 PRO 41 2HB PRO 41 -5.146 17.125 -0.902
285 HG2 PRO 41 1HG PRO 41 -4.773 19.858 -2.064
286 HG3 PRO 41 2HG PRO 41 -5.379 19.396 -0.463
287 HD2 PRO 41 1HD PRO 41 -2.837 20.234 -0.873
288 HD3 PRO 41 2HD PRO 41 -3.261 19.046 0.376
289 H SER 42 H SER 42 -2.816 15.651 -3.962
290 HA SER 42 HA SER 42 -2.095 17.355 -6.080
291 HB2 SER 42 1HB SER 42 -2.910 14.444 -6.037
292 HB3 SER 42 2HB SER 42 -2.341 15.265 -7.491
293 HG SER 42 HG SER 42 -0.522 15.866 -5.853
294 H SER 43 H SER 43 -3.171 17.578 -8.164
295 HA SER 43 HA SER 43 -5.555 18.812 -8.156
296 HB2 SER 43 1HB SER 43 -3.981 18.435 -10.135
297 HB3 SER 43 2HB SER 43 -4.860 16.932 -10.412
298 HG SER 43 HG SER 43 -5.866 19.579 -10.480
299 H GLY 44 H GLY 44 -7.475 18.261 -7.378
300 HA2 GLY 44 1HA GLY 44 -9.463 16.872 -7.874
301 HA3 GLY 44 2HA GLY 44 -8.393 15.481 -7.788
Start of MODEL 4
1 H1 GLY 1 H GLY 1 9.608 -13.588 -10.506
2 HA2 GLY 1 1HA GLY 1 8.164 -14.628 -12.352
3 HA3 GLY 1 2HA GLY 1 6.987 -13.426 -11.844
4 H SER 2 H SER 2 9.365 -14.088 -14.041
5 HA SER 2 HA SER 2 9.931 -11.234 -14.503
6 HB2 SER 2 1HB SER 2 11.502 -13.608 -15.531
7 HB3 SER 2 2HB SER 2 11.950 -11.907 -15.656
8 HG SER 2 HG SER 2 11.655 -12.150 -13.164
9 H SER 3 H SER 3 9.921 -10.462 -16.679
10 HA SER 3 HA SER 3 7.729 -10.861 -18.167
11 HB2 SER 3 1HB SER 3 9.270 -9.109 -18.755
12 HB3 SER 3 2HB SER 3 10.515 -10.279 -19.191
13 HG SER 3 HG SER 3 9.055 -10.997 -20.863
14 H GLY 4 H GLY 4 6.820 -12.695 -18.825
15 HA2 GLY 4 1HA GLY 4 7.763 -14.281 -20.873
16 HA3 GLY 4 2HA GLY 4 8.313 -15.061 -19.397
17 H SER 5 H SER 5 6.929 -16.313 -18.275
18 HA SER 5 HA SER 5 4.228 -16.596 -19.377
19 HB2 SER 5 1HB SER 5 5.391 -18.674 -19.368
20 HB3 SER 5 2HB SER 5 5.961 -18.429 -17.717
21 HG SER 5 HG SER 5 3.209 -18.436 -18.112
22 H SER 6 H SER 6 5.926 -16.280 -16.280
23 HA SER 6 HA SER 6 3.724 -16.308 -14.582
24 HB2 SER 6 1HB SER 6 6.249 -16.265 -14.017
25 HB3 SER 6 2HB SER 6 6.089 -14.511 -14.091
26 HG SER 6 HG SER 6 4.142 -15.116 -12.606
27 H GLY 7 H GLY 7 2.232 -14.837 -13.942
28 HA2 GLY 7 1HA GLY 7 2.504 -12.039 -14.662
29 HA3 GLY 7 2HA GLY 7 1.225 -12.900 -15.505
30 H GLU 8 H GLU 8 2.424 -12.772 -12.146
31 HA GLU 8 HA GLU 8 -0.149 -11.786 -11.245
32 HB2 GLU 8 1HB GLU 8 0.860 -14.545 -10.643
33 HB3 GLU 8 2HB GLU 8 -0.126 -13.693 -9.463
34 HG2 GLU 8 1HG GLU 8 -1.908 -13.460 -11.118
35 HG3 GLU 8 2HG GLU 8 -0.921 -14.320 -12.298
36 H LYS 9 H LYS 9 0.003 -10.591 -9.416
37 HA LYS 9 HA LYS 9 2.050 -10.890 -7.475
38 HB2 LYS 9 1HB LYS 9 3.113 -9.734 -9.609
39 HB3 LYS 9 2HB LYS 9 2.356 -8.300 -8.928
40 HG2 LYS 9 1HG LYS 9 4.490 -8.237 -8.044
41 HG3 LYS 9 2HG LYS 9 3.549 -8.975 -6.746
42 HD2 LYS 9 1HD LYS 9 4.243 -11.213 -7.874
43 HD3 LYS 9 2HD LYS 9 5.510 -10.238 -8.622
44 HE2 LYS 9 1HE LYS 9 6.530 -11.040 -6.696
45 HE3 LYS 9 2HE LYS 9 5.993 -9.430 -6.220
46 HZ1 LYS 9 3HZ LYS 9 3.901 -11.165 -5.672
47 HZ2 LYS 9 1HZ LYS 9 4.901 -10.373 -4.560
48 HZ3 LYS 9 2HZ LYS 9 5.300 -11.925 -5.101
49 H LEU 10 H LEU 10 1.358 -10.030 -5.613
50 HA LEU 10 HA LEU 10 -1.175 -8.876 -5.371
51 HB2 LEU 10 1HB LEU 10 1.180 -9.097 -3.539
52 HB3 LEU 10 2HB LEU 10 -0.244 -8.181 -3.051
53 HG LEU 10 HG LEU 10 -0.611 -10.986 -3.985
54 HD11 LEU 10 1HD1 LEU 10 1.100 -10.250 -1.796
55 HD12 LEU 10 2HD1 LEU 10 0.716 -11.849 -2.432
56 HD13 LEU 10 3HD1 LEU 10 -0.321 -11.115 -1.208
57 HD21 LEU 10 3HD2 LEU 10 -2.275 -9.037 -3.019
58 HD22 LEU 10 1HD2 LEU 10 -1.956 -10.011 -1.584
59 HD23 LEU 10 2HD2 LEU 10 -2.622 -10.767 -3.031
60 H HIS 11 H HIS 11 -1.766 -6.748 -4.604
61 HA HIS 11 HA HIS 11 -0.515 -4.679 -6.112
62 HB2 HIS 11 1HB HIS 11 -2.785 -4.776 -4.149
63 HB3 HIS 11 2HB HIS 11 -2.159 -3.227 -4.707
64 HD2 HIS 11 HD2 HIS 11 -4.185 -6.269 -6.076
65 HE1 HIS 11 HE1 HIS 11 -4.227 -3.190 -8.994
66 HE2 HIS 11 HE2 HIS 11 -5.207 -5.400 -8.287
67 H GLU 12 H GLU 12 0.203 -2.604 -5.161
68 HA GLU 12 HA GLU 12 1.236 -2.713 -2.452
69 HB2 GLU 12 1HB GLU 12 3.521 -2.495 -2.974
70 HB3 GLU 12 2HB GLU 12 2.945 -3.796 -4.007
71 HG2 GLU 12 1HG GLU 12 3.203 -0.945 -4.922
72 HG3 GLU 12 2HG GLU 12 4.478 -2.150 -5.101
73 H CYS 13 H CYS 13 2.242 -0.635 -1.808
74 HA CYS 13 HA CYS 13 0.627 1.547 -2.689
75 HB2 CYS 13 1HB CYS 13 1.676 1.068 -0.339
76 HB3 CYS 13 2HB CYS 13 3.075 1.911 -0.996
77 H SER 14 H SER 14 1.804 3.745 -3.062
78 HA SER 14 HA SER 14 3.783 3.305 -5.198
79 HB2 SER 14 1HB SER 14 1.483 4.313 -5.754
80 HB3 SER 14 2HB SER 14 2.055 5.760 -4.924
81 HG SER 14 HG SER 14 3.578 4.555 -6.968
82 H GLU 15 H GLU 15 3.069 5.032 -2.268
83 HA GLU 15 HA GLU 15 5.390 6.760 -2.527
84 HB2 GLU 15 1HB GLU 15 3.094 6.543 -0.643
85 HB3 GLU 15 2HB GLU 15 4.578 7.268 -0.041
86 HG2 GLU 15 1HG GLU 15 3.296 8.197 -2.584
87 HG3 GLU 15 2HG GLU 15 2.797 8.814 -1.010
88 H CYS 16 H CYS 16 4.271 4.137 -0.409
89 HA CYS 16 HA CYS 16 6.965 3.919 0.720
90 HB2 CYS 16 1HB CYS 16 5.972 2.536 2.442
91 HB3 CYS 16 2HB CYS 16 5.024 4.010 2.270
92 H ARG 17 H ARG 17 4.856 2.417 -1.520
93 HA ARG 17 HA ARG 17 5.070 0.602 -2.872
94 HB2 ARG 17 1HB ARG 17 7.932 0.623 -1.893
95 HB3 ARG 17 2HB ARG 17 7.331 -0.291 -3.270
96 HG2 ARG 17 1HG ARG 17 7.352 2.710 -3.025
97 HG3 ARG 17 2HG ARG 17 8.480 1.738 -3.971
98 HD2 ARG 17 1HD ARG 17 6.249 0.819 -5.038
99 HD3 ARG 17 2HD ARG 17 5.613 2.364 -4.474
100 HE ARG 17 HE ARG 17 6.680 3.340 -6.228
101 HH11 ARG 17 1HH1 ARG 17 8.339 0.379 -5.454
102 HH12 ARG 17 2HH1 ARG 17 9.473 0.521 -6.756
103 HH21 ARG 17 1HH2 ARG 17 8.167 3.539 -7.946
104 HH22 ARG 17 2HH2 ARG 17 9.375 2.320 -8.172
105 H LYS 18 H LYS 18 4.092 0.220 -0.249
106 HA LYS 18 HA LYS 18 5.260 -2.281 0.688
107 HB2 LYS 18 1HB LYS 18 4.511 -0.421 2.244
108 HB3 LYS 18 2HB LYS 18 2.858 -0.842 1.814
109 HG2 LYS 18 1HG LYS 18 3.466 -3.211 2.572
110 HG3 LYS 18 2HG LYS 18 4.871 -2.460 3.331
111 HD2 LYS 18 1HD LYS 18 3.393 -0.983 4.604
112 HD3 LYS 18 2HD LYS 18 1.987 -1.728 3.840
113 HE2 LYS 18 1HE LYS 18 2.654 -3.898 4.811
114 HE3 LYS 18 2HE LYS 18 3.996 -3.097 5.627
115 HZ1 LYS 18 3HZ LYS 18 2.548 -2.854 7.290
116 HZ2 LYS 18 1HZ LYS 18 1.199 -3.149 6.311
117 HZ3 LYS 18 2HZ LYS 18 1.880 -1.602 6.370
118 H THR 19 H THR 19 4.359 -4.252 0.447
119 HA THR 19 HA THR 19 2.179 -4.509 -1.438
120 HB THR 19 HB THR 19 2.616 -6.916 -1.342
121 HG1 THR 19 HG1 THR 19 3.299 -6.737 0.992
122 HG21 THR 19 3HG2 THR 19 5.379 -5.880 -1.441
123 HG22 THR 19 1HG2 THR 19 4.211 -5.056 -2.472
124 HG23 THR 19 2HG2 THR 19 4.467 -6.792 -2.642
125 H PHE 20 H PHE 20 0.178 -5.405 -1.050
126 HA PHE 20 HA PHE 20 -0.510 -5.913 1.767
127 HB2 PHE 20 1HB PHE 20 -2.173 -4.432 -0.281
128 HB3 PHE 20 2HB PHE 20 -2.722 -4.879 1.331
129 HD1 PHE 20 HD1 PHE 20 -0.035 -2.974 -0.399
130 HD2 PHE 20 HD2 PHE 20 -2.446 -3.399 3.082
131 HE1 PHE 20 HE1 PHE 20 0.883 -0.871 0.489
132 HE2 PHE 20 HE2 PHE 20 -1.533 -1.297 3.975
133 HZ PHE 20 HZ PHE 20 0.133 -0.029 2.678
134 H SER 21 H SER 21 -2.262 -7.377 2.125
135 HA SER 21 HA SER 21 -2.211 -9.629 0.414
136 HB2 SER 21 1HB SER 21 -3.752 -8.867 2.865
137 HB3 SER 21 2HB SER 21 -4.270 -10.270 1.929
138 HG SER 21 HG SER 21 -2.113 -9.970 3.577
139 H PHE 22 H PHE 22 -4.716 -7.194 1.066
140 HA PHE 22 HA PHE 22 -5.986 -7.957 -1.479
141 HB2 PHE 22 1HB PHE 22 -7.479 -6.982 0.959
142 HB3 PHE 22 2HB PHE 22 -8.166 -7.604 -0.538
143 HD1 PHE 22 HD2 PHE 22 -7.718 -10.041 -1.124
144 HD2 PHE 22 HD1 PHE 22 -7.031 -8.403 2.744
145 HE1 PHE 22 HE2 PHE 22 -7.766 -12.304 -0.161
146 HE2 PHE 22 HE1 PHE 22 -7.078 -10.663 3.713
147 HZ PHE 22 HZ PHE 22 -7.447 -12.618 2.261
148 H HIS 23 H HIS 23 -6.037 -6.357 -2.902
149 HA HIS 23 HA HIS 23 -4.962 -3.907 -2.740
150 HB2 HIS 23 1HB HIS 23 -6.127 -5.040 -4.739
151 HB3 HIS 23 2HB HIS 23 -7.587 -4.230 -4.179
152 HD2 HIS 23 HD2 HIS 23 -6.243 -1.290 -3.529
153 HE1 HIS 23 HE1 HIS 23 -5.090 -1.423 -7.610
154 HE2 HIS 23 HE2 HIS 23 -5.358 0.030 -5.570
155 H SER 24 H SER 24 -8.342 -4.626 -1.902
156 HA SER 24 HA SER 24 -9.421 -2.243 -1.341
157 HB2 SER 24 1HB SER 24 -9.522 -4.665 0.472
158 HB3 SER 24 2HB SER 24 -10.626 -3.294 0.569
159 HG SER 24 HG SER 24 -11.302 -3.781 -1.554
160 H GLN 25 H GLN 25 -7.151 -3.926 0.810
161 HA GLN 25 HA GLN 25 -7.137 -2.018 2.865
162 HB2 GLN 25 1HB GLN 25 -5.339 -4.227 2.009
163 HB3 GLN 25 2HB GLN 25 -4.680 -3.034 3.120
164 HG2 GLN 25 1HG GLN 25 -7.320 -4.251 3.737
165 HG3 GLN 25 2HG GLN 25 -5.861 -5.207 3.989
166 HE21 GLN 25 1HE2 GLN 25 -7.650 -2.389 4.966
167 HE22 GLN 25 2HE2 GLN 25 -6.786 -2.101 6.434
168 H LEU 26 H LEU 26 -4.703 -2.512 0.300
169 HA LEU 26 HA LEU 26 -2.983 -0.500 0.691
170 HB2 LEU 26 1HB LEU 26 -2.610 -1.797 -1.201
171 HB3 LEU 26 2HB LEU 26 -4.224 -1.496 -1.842
172 HG LEU 26 HG LEU 26 -3.567 0.797 -2.407
173 HD11 LEU 26 1HD1 LEU 26 -1.338 1.588 -2.161
174 HD12 LEU 26 2HD1 LEU 26 -0.777 0.017 -1.589
175 HD13 LEU 26 3HD1 LEU 26 -1.857 0.986 -0.586
176 HD21 LEU 26 3HD2 LEU 26 -1.485 -0.131 -3.920
177 HD22 LEU 26 1HD2 LEU 26 -3.194 -0.285 -4.329
178 HD23 LEU 26 2HD2 LEU 26 -2.356 -1.615 -3.528
179 H VAL 27 H VAL 27 -5.794 0.048 -1.437
180 HA VAL 27 HA VAL 27 -5.711 2.720 -1.763
181 HB VAL 27 HB VAL 27 -8.296 1.340 -1.050
182 HG11 VAL 27 1HG1 VAL 27 -7.799 3.951 -1.711
183 HG12 VAL 27 2HG1 VAL 27 -8.224 3.238 -3.269
184 HG13 VAL 27 3HG1 VAL 27 -9.343 3.122 -1.910
185 HG21 VAL 27 3HG2 VAL 27 -8.013 -0.044 -2.765
186 HG22 VAL 27 1HG2 VAL 27 -7.913 1.348 -3.844
187 HG23 VAL 27 2HG2 VAL 27 -6.446 0.680 -3.127
188 H ILE 28 H ILE 28 -6.917 1.063 1.121
189 HA ILE 28 HA ILE 28 -7.745 3.432 2.463
190 HB ILE 28 HB ILE 28 -7.042 0.743 3.647
191 HG12 ILE 28 1HG1 ILE 28 -9.798 1.786 3.008
192 HG13 ILE 28 2HG1 ILE 28 -8.867 0.841 1.851
193 HG21 ILE 28 1HG2 ILE 28 -8.198 1.407 5.595
194 HG22 ILE 28 2HG2 ILE 28 -7.126 2.747 5.192
195 HG23 ILE 28 3HG2 ILE 28 -8.845 2.849 4.812
196 HD11 ILE 28 3HD1 ILE 28 -8.808 -1.028 3.377
197 HD12 ILE 28 1HD1 ILE 28 -9.646 -0.082 4.606
198 HD13 ILE 28 2HD1 ILE 28 -10.474 -0.514 3.109
199 H HIS 29 H HIS 29 -4.759 1.589 2.347
200 HA HIS 29 HA HIS 29 -3.488 2.900 4.526
201 HB2 HIS 29 1HB HIS 29 -2.517 0.851 3.988
202 HB3 HIS 29 2HB HIS 29 -2.545 1.179 2.258
203 HD1 HIS 29 HD1 HIS 29 -0.478 1.614 5.304
204 HD2 HIS 29 HD2 HIS 29 -0.414 2.809 1.325
205 HE1 HIS 29 HE1 HIS 29 1.846 2.487 4.901
206 H GLN 30 H GLN 30 -3.162 3.274 0.997
207 HA GLN 30 HA GLN 30 -1.307 5.203 0.749
208 HB2 GLN 30 1HB GLN 30 -3.964 4.994 -0.660
209 HB3 GLN 30 2HB GLN 30 -2.737 6.163 -1.127
210 HG2 GLN 30 1HG GLN 30 -1.166 4.171 -1.356
211 HG3 GLN 30 2HG GLN 30 -2.616 3.173 -1.270
212 HE21 GLN 30 1HE2 GLN 30 -4.359 3.779 -2.829
213 HE22 GLN 30 2HE2 GLN 30 -3.872 4.233 -4.423
214 H ARG 31 H ARG 31 -4.405 5.572 2.255
215 HA ARG 31 HA ARG 31 -4.707 8.347 2.158
216 HB2 ARG 31 1HB ARG 31 -5.527 6.440 4.357
217 HB3 ARG 31 2HB ARG 31 -6.128 8.081 4.156
218 HG2 ARG 31 1HG ARG 31 -7.194 7.499 2.088
219 HG3 ARG 31 2HG ARG 31 -6.469 5.891 2.121
220 HD2 ARG 31 1HD ARG 31 -8.607 5.491 2.911
221 HD3 ARG 31 2HD ARG 31 -7.677 5.662 4.399
222 HE ARG 31 HE ARG 31 -8.574 8.172 3.935
223 HH11 ARG 31 1HH1 ARG 31 -10.134 5.065 4.116
224 HH12 ARG 31 2HH1 ARG 31 -11.632 5.706 4.703
225 HH21 ARG 31 1HH2 ARG 31 -10.542 9.028 4.709
226 HH22 ARG 31 2HH2 ARG 31 -11.863 7.960 5.039
227 H ILE 32 H ILE 32 -3.302 6.374 4.779
228 HA ILE 32 HA ILE 32 -2.526 8.180 6.591
229 HB ILE 32 HB ILE 32 -0.740 6.803 7.248
230 HG12 ILE 32 1HG1 ILE 32 -0.629 5.708 4.429
231 HG13 ILE 32 2HG1 ILE 32 0.485 6.898 5.093
232 HG21 ILE 32 1HG2 ILE 32 -3.054 5.747 7.126
233 HG22 ILE 32 2HG2 ILE 32 -2.454 4.865 5.724
234 HG23 ILE 32 3HG2 ILE 32 -1.682 4.652 7.295
235 HD11 ILE 32 3HD1 ILE 32 1.169 5.235 6.790
236 HD12 ILE 32 1HD1 ILE 32 0.137 4.049 5.991
237 HD13 ILE 32 2HD1 ILE 32 1.516 4.740 5.134
238 H HIS 33 H HIS 33 -1.153 7.848 3.390
239 HA HIS 33 HA HIS 33 1.066 9.594 3.848
240 HB2 HIS 33 1HB HIS 33 -0.225 8.546 1.327
241 HB3 HIS 33 2HB HIS 33 1.187 9.599 1.316
242 HD1 HIS 33 HD1 HIS 33 3.146 8.500 3.113
243 HD2 HIS 33 HD2 HIS 33 0.543 5.981 1.077
244 HE1 HIS 33 HE1 HIS 33 4.257 6.244 3.111
245 H THR 34 H THR 34 -1.869 9.994 1.855
246 HA THR 34 HA THR 34 -1.790 12.870 2.493
247 HB THR 34 HB THR 34 -1.073 12.730 0.224
248 HG1 THR 34 HG1 THR 34 -3.090 14.083 0.892
249 HG21 THR 34 3HG2 THR 34 -1.634 11.067 -1.150
250 HG22 THR 34 1HG2 THR 34 -3.343 11.480 -1.029
251 HG23 THR 34 2HG2 THR 34 -2.615 10.388 0.148
252 H GLY 35 H GLY 35 -3.755 10.065 1.652
253 HA2 GLY 35 1HA GLY 35 -6.067 9.786 1.707
254 HA3 GLY 35 2HA GLY 35 -5.789 10.298 3.365
255 H GLU 36 H GLU 36 -6.865 12.028 4.048
256 HA GLU 36 HA GLU 36 -7.763 14.000 2.061
257 HB2 GLU 36 1HB GLU 36 -9.415 12.721 4.240
258 HB3 GLU 36 2HB GLU 36 -9.899 14.187 3.398
259 HG2 GLU 36 1HG GLU 36 -9.880 12.965 1.276
260 HG3 GLU 36 2HG GLU 36 -9.424 11.496 2.136
261 H ASN 37 H ASN 37 -8.646 16.014 3.240
262 HA ASN 37 HA ASN 37 -7.407 16.560 5.798
263 HB2 ASN 37 1HB ASN 37 -6.446 17.793 3.231
264 HB3 ASN 37 2HB ASN 37 -6.321 18.675 4.750
265 HD21 ASN 37 1HD2 ASN 37 -4.282 17.539 2.916
266 HD22 ASN 37 2HD2 ASN 37 -3.286 16.542 3.916
267 HA PRO 38 HA PRO 38 -10.973 19.113 6.165
268 HB2 PRO 38 1HB PRO 38 -10.159 20.710 8.204
269 HB3 PRO 38 2HB PRO 38 -10.623 19.020 8.434
270 HG2 PRO 38 1HG PRO 38 -7.890 20.218 8.193
271 HG3 PRO 38 2HG PRO 38 -8.471 18.973 9.314
272 HD2 PRO 38 1HD PRO 38 -7.048 18.379 7.088
273 HD3 PRO 38 2HD PRO 38 -8.293 17.296 7.742
274 H SER 39 H SER 39 -10.907 20.239 4.185
275 HA SER 39 HA SER 39 -9.653 22.901 4.344
276 HB2 SER 39 1HB SER 39 -8.720 21.163 2.634
277 HB3 SER 39 2HB SER 39 -10.176 21.545 1.716
278 HG SER 39 HG SER 39 -8.543 23.616 2.689
279 H GLY 40 H GLY 40 -12.312 21.010 2.944
280 HA2 GLY 40 1HA GLY 40 -14.527 22.179 3.528
281 HA3 GLY 40 2HA GLY 40 -13.836 23.508 2.609
282 HA PRO 41 HA PRO 41 -15.931 20.098 -0.078
283 HB2 PRO 41 1HB PRO 41 -18.513 20.936 -0.095
284 HB3 PRO 41 2HB PRO 41 -17.894 19.752 1.063
285 HG2 PRO 41 1HG PRO 41 -18.357 22.688 1.420
286 HG3 PRO 41 2HG PRO 41 -18.729 21.354 2.528
287 HD2 PRO 41 1HD PRO 41 -16.545 22.927 2.823
288 HD3 PRO 41 2HD PRO 41 -16.557 21.214 3.288
289 H SER 42 H SER 42 -14.829 21.055 -1.779
290 HA SER 42 HA SER 42 -15.723 23.619 -2.814
291 HB2 SER 42 1HB SER 42 -13.299 23.027 -2.728
292 HB3 SER 42 2HB SER 42 -13.603 21.758 -3.914
293 HG SER 42 HG SER 42 -14.370 24.415 -4.438
294 H SER 43 H SER 43 -16.664 23.951 -4.818
295 HA SER 43 HA SER 43 -18.650 22.331 -5.689
296 HB2 SER 43 1HB SER 43 -17.923 24.713 -6.484
297 HB3 SER 43 2HB SER 43 -17.066 23.835 -7.750
298 HG SER 43 HG SER 43 -18.980 23.031 -8.489
299 H GLY 44 H GLY 44 -18.708 20.312 -6.402
300 HA2 GLY 44 1HA GLY 44 -18.184 18.762 -8.188
301 HA3 GLY 44 2HA GLY 44 -16.544 19.393 -8.183
Start of MODEL 5
1 H1 GLY 1 H GLY 1 21.664 -6.284 -1.690
2 HA2 GLY 1 1HA GLY 1 21.550 -7.956 -3.742
3 HA3 GLY 1 2HA GLY 1 20.688 -8.901 -2.537
4 H SER 2 H SER 2 20.072 -7.233 -5.134
5 HA SER 2 HA SER 2 17.905 -5.577 -4.094
6 HB2 SER 2 1HB SER 2 19.276 -4.570 -5.825
7 HB3 SER 2 2HB SER 2 18.982 -5.936 -6.900
8 HG SER 2 HG SER 2 17.458 -3.740 -6.448
9 H SER 3 H SER 3 15.737 -5.838 -4.725
10 HA SER 3 HA SER 3 14.798 -7.903 -6.396
11 HB2 SER 3 1HB SER 3 13.999 -9.529 -4.843
12 HB3 SER 3 2HB SER 3 15.690 -9.245 -4.432
13 HG SER 3 HG SER 3 14.555 -7.541 -2.970
14 H GLY 4 H GLY 4 12.923 -7.144 -7.107
15 HA2 GLY 4 1HA GLY 4 11.359 -5.394 -5.321
16 HA3 GLY 4 2HA GLY 4 11.337 -5.317 -7.077
17 H SER 5 H SER 5 10.361 -7.135 -8.232
18 HA SER 5 HA SER 5 8.271 -8.452 -6.622
19 HB2 SER 5 1HB SER 5 8.102 -7.266 -9.396
20 HB3 SER 5 2HB SER 5 6.884 -8.364 -8.747
21 HG SER 5 HG SER 5 6.059 -6.590 -7.973
22 H SER 6 H SER 6 8.668 -10.552 -6.488
23 HA SER 6 HA SER 6 9.584 -11.964 -8.903
24 HB2 SER 6 1HB SER 6 10.925 -13.461 -7.444
25 HB3 SER 6 2HB SER 6 11.481 -11.788 -7.384
26 HG SER 6 HG SER 6 11.284 -12.080 -5.306
27 H GLY 7 H GLY 7 8.034 -12.303 -5.722
28 HA2 GLY 7 1HA GLY 7 6.973 -14.883 -6.176
29 HA3 GLY 7 2HA GLY 7 6.402 -13.734 -4.975
30 H GLU 8 H GLU 8 4.756 -12.245 -5.543
31 HA GLU 8 HA GLU 8 3.317 -12.906 -8.026
32 HB2 GLU 8 1HB GLU 8 2.329 -12.830 -5.216
33 HB3 GLU 8 2HB GLU 8 1.249 -12.262 -6.482
34 HG2 GLU 8 1HG GLU 8 2.599 -14.939 -6.598
35 HG3 GLU 8 2HG GLU 8 1.045 -14.689 -5.805
36 H LYS 9 H LYS 9 1.610 -11.190 -8.518
37 HA LYS 9 HA LYS 9 2.934 -8.616 -8.472
38 HB2 LYS 9 1HB LYS 9 0.259 -9.270 -9.705
39 HB3 LYS 9 2HB LYS 9 1.330 -7.933 -10.105
40 HG2 LYS 9 1HG LYS 9 2.355 -10.700 -10.443
41 HG3 LYS 9 2HG LYS 9 1.182 -10.088 -11.610
42 HD2 LYS 9 1HD LYS 9 3.112 -9.400 -12.619
43 HD3 LYS 9 2HD LYS 9 2.804 -7.995 -11.595
44 HE2 LYS 9 1HE LYS 9 5.131 -8.668 -11.434
45 HE3 LYS 9 2HE LYS 9 4.312 -8.919 -9.894
46 HZ1 LYS 9 3HZ LYS 9 5.801 -10.769 -10.651
47 HZ2 LYS 9 1HZ LYS 9 4.686 -11.082 -11.885
48 HZ3 LYS 9 2HZ LYS 9 4.220 -11.232 -10.266
49 H LEU 10 H LEU 10 1.832 -9.691 -5.975
50 HA LEU 10 HA LEU 10 -0.531 -8.796 -5.063
51 HB2 LEU 10 1HB LEU 10 2.121 -8.413 -3.682
52 HB3 LEU 10 2HB LEU 10 0.547 -8.325 -2.894
53 HG LEU 10 HG LEU 10 1.648 -10.793 -4.236
54 HD11 LEU 10 1HD1 LEU 10 2.850 -11.179 -2.417
55 HD12 LEU 10 2HD1 LEU 10 1.395 -11.079 -1.427
56 HD13 LEU 10 3HD1 LEU 10 2.346 -9.629 -1.743
57 HD21 LEU 10 3HD2 LEU 10 -0.801 -10.664 -4.142
58 HD22 LEU 10 1HD2 LEU 10 -0.714 -10.403 -2.400
59 HD23 LEU 10 2HD2 LEU 10 -0.168 -11.932 -3.091
60 H HIS 11 H HIS 11 -1.569 -6.921 -4.677
61 HA HIS 11 HA HIS 11 -0.692 -4.543 -5.908
62 HB2 HIS 11 1HB HIS 11 -2.931 -5.179 -4.001
63 HB3 HIS 11 2HB HIS 11 -2.628 -3.527 -4.531
64 HD2 HIS 11 HD2 HIS 11 -4.163 -6.821 -5.860
65 HE1 HIS 11 HE1 HIS 11 -4.462 -3.907 -8.930
66 HE2 HIS 11 HE2 HIS 11 -5.209 -6.178 -8.137
67 H GLU 12 H GLU 12 0.706 -3.067 -5.232
68 HA GLU 12 HA GLU 12 1.176 -2.800 -2.335
69 HB2 GLU 12 1HB GLU 12 3.493 -2.485 -2.694
70 HB3 GLU 12 2HB GLU 12 3.048 -3.885 -3.660
71 HG2 GLU 12 1HG GLU 12 2.834 -2.283 -5.614
72 HG3 GLU 12 2HG GLU 12 3.642 -1.096 -4.591
73 H CYS 13 H CYS 13 2.311 -0.638 -1.846
74 HA CYS 13 HA CYS 13 0.621 1.449 -2.899
75 HB2 CYS 13 1HB CYS 13 1.411 1.144 -0.454
76 HB3 CYS 13 2HB CYS 13 2.915 1.879 -1.001
77 H SER 14 H SER 14 1.699 3.630 -3.376
78 HA SER 14 HA SER 14 3.922 3.152 -5.248
79 HB2 SER 14 1HB SER 14 2.042 3.886 -6.493
80 HB3 SER 14 2HB SER 14 1.643 5.128 -5.306
81 HG SER 14 HG SER 14 2.838 5.694 -7.379
82 H GLU 15 H GLU 15 3.025 4.718 -2.378
83 HA GLU 15 HA GLU 15 5.115 6.748 -2.602
84 HB2 GLU 15 1HB GLU 15 2.857 6.274 -0.683
85 HB3 GLU 15 2HB GLU 15 4.195 7.322 -0.235
86 HG2 GLU 15 1HG GLU 15 2.704 7.739 -2.794
87 HG3 GLU 15 2HG GLU 15 2.093 8.371 -1.267
88 H CYS 16 H CYS 16 4.165 4.078 -0.452
89 HA CYS 16 HA CYS 16 6.874 4.089 0.681
90 HB2 CYS 16 1HB CYS 16 5.889 2.633 2.453
91 HB3 CYS 16 2HB CYS 16 5.146 4.227 2.358
92 H ARG 17 H ARG 17 4.888 2.431 -1.504
93 HA ARG 17 HA ARG 17 5.164 0.540 -2.736
94 HB2 ARG 17 1HB ARG 17 7.967 0.663 -1.611
95 HB3 ARG 17 2HB ARG 17 7.454 -0.401 -2.913
96 HG2 ARG 17 1HG ARG 17 7.444 2.609 -2.979
97 HG3 ARG 17 2HG ARG 17 8.606 1.550 -3.780
98 HD2 ARG 17 1HD ARG 17 6.387 0.524 -4.807
99 HD3 ARG 17 2HD ARG 17 5.777 2.142 -4.464
100 HE ARG 17 HE ARG 17 7.512 1.404 -6.576
101 HH11 ARG 17 1HH1 ARG 17 6.907 3.953 -4.283
102 HH12 ARG 17 2HH1 ARG 17 7.580 5.194 -5.287
103 HH21 ARG 17 1HH2 ARG 17 8.401 3.029 -7.907
104 HH22 ARG 17 2HH2 ARG 17 8.429 4.667 -7.349
105 H LYS 18 H LYS 18 3.968 0.256 -0.244
106 HA LYS 18 HA LYS 18 5.091 -2.181 0.919
107 HB2 LYS 18 1HB LYS 18 4.261 -0.206 2.316
108 HB3 LYS 18 2HB LYS 18 2.637 -0.705 1.862
109 HG2 LYS 18 1HG LYS 18 2.844 -2.761 2.999
110 HG3 LYS 18 2HG LYS 18 4.587 -2.564 3.190
111 HD2 LYS 18 1HD LYS 18 4.267 -0.745 4.730
112 HD3 LYS 18 2HD LYS 18 2.526 -0.750 4.440
113 HE2 LYS 18 1HE LYS 18 3.838 -3.245 5.409
114 HE3 LYS 18 2HE LYS 18 3.558 -1.932 6.551
115 HZ1 LYS 18 3HZ LYS 18 1.571 -3.495 5.024
116 HZ2 LYS 18 1HZ LYS 18 1.182 -1.981 5.670
117 HZ3 LYS 18 2HZ LYS 18 1.658 -3.239 6.694
118 H THR 19 H THR 19 4.251 -4.149 0.604
119 HA THR 19 HA THR 19 2.080 -4.440 -1.288
120 HB THR 19 HB THR 19 2.573 -6.827 -1.231
121 HG1 THR 19 HG1 THR 19 4.016 -6.075 1.051
122 HG21 THR 19 3HG2 THR 19 4.001 -5.947 -2.776
123 HG22 THR 19 1HG2 THR 19 5.195 -6.544 -1.624
124 HG23 THR 19 2HG2 THR 19 4.742 -4.839 -1.621
125 H PHE 20 H PHE 20 0.119 -5.466 -0.910
126 HA PHE 20 HA PHE 20 -0.559 -6.000 1.901
127 HB2 PHE 20 1HB PHE 20 -2.273 -4.504 -0.094
128 HB3 PHE 20 2HB PHE 20 -2.772 -4.968 1.530
129 HD1 PHE 20 HD1 PHE 20 -0.264 -2.951 -0.317
130 HD2 PHE 20 HD2 PHE 20 -2.355 -3.568 3.338
131 HE1 PHE 20 HE1 PHE 20 0.656 -0.845 0.561
132 HE2 PHE 20 HE2 PHE 20 -1.441 -1.462 4.221
133 HZ PHE 20 HZ PHE 20 0.066 -0.097 2.832
134 H SER 21 H SER 21 -1.975 -7.677 2.277
135 HA SER 21 HA SER 21 -1.983 -9.842 0.572
136 HB2 SER 21 1HB SER 21 -4.049 -9.159 2.678
137 HB3 SER 21 2HB SER 21 -3.806 -10.755 1.968
138 HG SER 21 HG SER 21 -1.587 -9.490 3.083
139 H PHE 22 H PHE 22 -4.414 -7.295 0.898
140 HA PHE 22 HA PHE 22 -5.512 -8.112 -1.698
141 HB2 PHE 22 1HB PHE 22 -7.192 -7.331 0.694
142 HB3 PHE 22 2HB PHE 22 -7.793 -7.744 -0.909
143 HD1 PHE 22 HD2 PHE 22 -7.698 -10.057 -1.712
144 HD2 PHE 22 HD1 PHE 22 -6.519 -9.015 2.242
145 HE1 PHE 22 HE2 PHE 22 -7.838 -12.423 -1.051
146 HE2 PHE 22 HE1 PHE 22 -6.656 -11.379 2.910
147 HZ PHE 22 HZ PHE 22 -7.317 -13.086 1.263
148 H HIS 23 H HIS 23 -6.293 -6.448 -2.985
149 HA HIS 23 HA HIS 23 -5.054 -3.971 -2.797
150 HB2 HIS 23 1HB HIS 23 -6.275 -5.142 -4.794
151 HB3 HIS 23 2HB HIS 23 -7.680 -4.250 -4.218
152 HD2 HIS 23 HD2 HIS 23 -5.890 -1.457 -3.539
153 HE1 HIS 23 HE1 HIS 23 -5.280 -1.546 -7.736
154 HE2 HIS 23 HE2 HIS 23 -5.106 -0.164 -5.638
155 H SER 24 H SER 24 -8.333 -4.918 -1.842
156 HA SER 24 HA SER 24 -9.546 -2.596 -1.233
157 HB2 SER 24 1HB SER 24 -9.517 -5.241 0.151
158 HB3 SER 24 2HB SER 24 -10.328 -3.893 0.949
159 HG SER 24 HG SER 24 -11.920 -4.191 -0.370
160 H GLN 25 H GLN 25 -7.105 -4.176 0.801
161 HA GLN 25 HA GLN 25 -7.150 -2.231 2.858
162 HB2 GLN 25 1HB GLN 25 -5.366 -4.479 2.080
163 HB3 GLN 25 2HB GLN 25 -4.702 -3.257 3.158
164 HG2 GLN 25 1HG GLN 25 -7.353 -4.456 3.787
165 HG3 GLN 25 2HG GLN 25 -5.888 -5.385 4.102
166 HE21 GLN 25 1HE2 GLN 25 -7.198 -4.965 6.263
167 HE22 GLN 25 2HE2 GLN 25 -6.564 -3.670 7.215
168 H LEU 26 H LEU 26 -4.785 -2.794 0.247
169 HA LEU 26 HA LEU 26 -3.027 -0.782 0.616
170 HB2 LEU 26 1HB LEU 26 -2.637 -2.147 -1.223
171 HB3 LEU 26 2HB LEU 26 -4.246 -1.874 -1.888
172 HG LEU 26 HG LEU 26 -3.606 0.364 -2.583
173 HD11 LEU 26 1HD1 LEU 26 -0.871 -0.279 -1.493
174 HD12 LEU 26 2HD1 LEU 26 -2.030 0.815 -0.739
175 HD13 LEU 26 3HD1 LEU 26 -1.358 1.198 -2.324
176 HD21 LEU 26 3HD2 LEU 26 -1.925 -0.242 -4.277
177 HD22 LEU 26 1HD2 LEU 26 -3.209 -1.445 -4.142
178 HD23 LEU 26 2HD2 LEU 26 -1.630 -1.756 -3.420
179 H VAL 27 H VAL 27 -5.983 -0.371 -1.345
180 HA VAL 27 HA VAL 27 -5.865 2.301 -1.865
181 HB VAL 27 HB VAL 27 -8.418 0.925 -1.031
182 HG11 VAL 27 1HG1 VAL 27 -9.495 2.705 -1.831
183 HG12 VAL 27 2HG1 VAL 27 -7.935 3.531 -1.823
184 HG13 VAL 27 3HG1 VAL 27 -8.509 2.739 -3.292
185 HG21 VAL 27 3HG2 VAL 27 -8.274 0.790 -3.781
186 HG22 VAL 27 1HG2 VAL 27 -6.636 0.390 -3.266
187 HG23 VAL 27 2HG2 VAL 27 -8.003 -0.545 -2.661
188 H ILE 28 H ILE 28 -7.110 0.794 1.096
189 HA ILE 28 HA ILE 28 -7.907 3.186 2.361
190 HB ILE 28 HB ILE 28 -7.049 0.588 3.641
191 HG12 ILE 28 1HG1 ILE 28 -9.878 1.492 3.166
192 HG13 ILE 28 2HG1 ILE 28 -8.989 0.611 1.928
193 HG21 ILE 28 1HG2 ILE 28 -7.100 2.629 5.114
194 HG22 ILE 28 2HG2 ILE 28 -8.831 2.721 4.793
195 HG23 ILE 28 3HG2 ILE 28 -8.160 1.309 5.610
196 HD11 ILE 28 3HD1 ILE 28 -8.678 -0.805 4.347
197 HD12 ILE 28 1HD1 ILE 28 -10.386 -0.397 4.185
198 HD13 ILE 28 2HD1 ILE 28 -9.566 -1.284 2.900
199 H HIS 29 H HIS 29 -4.855 1.432 2.285
200 HA HIS 29 HA HIS 29 -3.556 2.896 4.325
201 HB2 HIS 29 1HB HIS 29 -2.546 0.852 3.755
202 HB3 HIS 29 2HB HIS 29 -2.580 1.212 2.031
203 HD1 HIS 29 HD1 HIS 29 -0.538 1.654 5.087
204 HD2 HIS 29 HD2 HIS 29 -0.526 2.971 1.147
205 HE1 HIS 29 HE1 HIS 29 1.746 2.638 4.715
206 H GLN 30 H GLN 30 -3.364 3.178 0.775
207 HA GLN 30 HA GLN 30 -1.640 5.204 0.411
208 HB2 GLN 30 1HB GLN 30 -4.343 4.901 -0.904
209 HB3 GLN 30 2HB GLN 30 -3.086 5.987 -1.481
210 HG2 GLN 30 1HG GLN 30 -1.613 4.121 -1.900
211 HG3 GLN 30 2HG GLN 30 -2.797 3.003 -1.225
212 HE21 GLN 30 1HE2 GLN 30 -1.666 2.892 -3.831
213 HE22 GLN 30 2HE2 GLN 30 -2.955 3.082 -4.965
214 H ARG 31 H ARG 31 -4.725 5.445 1.980
215 HA ARG 31 HA ARG 31 -5.191 8.189 1.818
216 HB2 ARG 31 1HB ARG 31 -5.821 6.316 4.107
217 HB3 ARG 31 2HB ARG 31 -6.532 7.906 3.866
218 HG2 ARG 31 1HG ARG 31 -7.642 7.187 1.878
219 HG3 ARG 31 2HG ARG 31 -6.786 5.644 1.900
220 HD2 ARG 31 1HD ARG 31 -8.771 5.003 2.831
221 HD3 ARG 31 2HD ARG 31 -7.887 5.458 4.287
222 HE ARG 31 HE ARG 31 -9.348 7.194 4.588
223 HH11 ARG 31 1HH1 ARG 31 -9.649 6.001 1.331
224 HH12 ARG 31 2HH1 ARG 31 -11.041 6.967 0.967
225 HH21 ARG 31 1HH2 ARG 31 -11.180 8.471 4.121
226 HH22 ARG 31 2HH2 ARG 31 -11.910 8.372 2.554
227 H ILE 32 H ILE 32 -3.561 6.386 4.429
228 HA ILE 32 HA ILE 32 -2.846 8.325 6.149
229 HB ILE 32 HB ILE 32 -1.004 7.051 6.841
230 HG12 ILE 32 1HG1 ILE 32 -0.877 5.846 4.068
231 HG13 ILE 32 2HG1 ILE 32 0.199 7.098 4.678
232 HG21 ILE 32 1HG2 ILE 32 -3.243 5.884 6.849
233 HG22 ILE 32 2HG2 ILE 32 -2.690 5.003 5.426
234 HG23 ILE 32 3HG2 ILE 32 -1.829 4.836 6.955
235 HD11 ILE 32 3HD1 ILE 32 -0.062 4.337 5.842
236 HD12 ILE 32 1HD1 ILE 32 1.199 4.855 4.724
237 HD13 ILE 32 2HD1 ILE 32 1.087 5.584 6.326
238 H HIS 33 H HIS 33 -1.626 7.941 2.911
239 HA HIS 33 HA HIS 33 0.501 9.871 3.269
240 HB2 HIS 33 1HB HIS 33 -0.551 8.497 0.788
241 HB3 HIS 33 2HB HIS 33 0.860 9.550 0.829
242 HD1 HIS 33 HD1 HIS 33 2.580 8.603 2.965
243 HD2 HIS 33 HD2 HIS 33 0.271 5.936 0.770
244 HE1 HIS 33 HE1 HIS 33 3.686 6.363 3.250
245 H THR 34 H THR 34 -2.461 9.701 1.291
246 HA THR 34 HA THR 34 -2.371 12.359 0.388
247 HB THR 34 HB THR 34 -4.836 12.062 -0.048
248 HG1 THR 34 HG1 THR 34 -4.896 10.411 1.789
249 HG21 THR 34 3HG2 THR 34 -4.468 10.109 -1.651
250 HG22 THR 34 1HG2 THR 34 -2.825 10.044 -1.015
251 HG23 THR 34 2HG2 THR 34 -3.398 11.500 -1.829
252 H GLY 35 H GLY 35 -2.899 11.191 3.481
253 HA2 GLY 35 1HA GLY 35 -4.760 13.262 4.306
254 HA3 GLY 35 2HA GLY 35 -4.037 12.035 5.337
255 H GLU 36 H GLU 36 -2.251 12.521 6.512
256 HA GLU 36 HA GLU 36 -1.589 15.263 6.858
257 HB2 GLU 36 1HB GLU 36 -0.670 12.680 8.028
258 HB3 GLU 36 2HB GLU 36 0.357 14.092 8.237
259 HG2 GLU 36 1HG GLU 36 -0.969 14.055 10.146
260 HG3 GLU 36 2HG GLU 36 -1.727 15.267 9.115
261 H ASN 37 H ASN 37 -0.780 16.071 4.930
262 HA ASN 37 HA ASN 37 2.013 15.796 4.532
263 HB2 ASN 37 1HB ASN 37 1.485 13.736 3.414
264 HB3 ASN 37 2HB ASN 37 0.195 14.504 2.492
265 HD21 ASN 37 1HD2 ASN 37 3.433 13.626 2.538
266 HD22 ASN 37 2HD2 ASN 37 3.948 14.477 1.125
267 HA PRO 38 HA PRO 38 1.270 19.814 2.892
268 HB2 PRO 38 1HB PRO 38 3.657 20.221 1.665
269 HB3 PRO 38 2HB PRO 38 3.459 20.269 3.421
270 HG2 PRO 38 1HG PRO 38 4.476 18.049 1.689
271 HG3 PRO 38 2HG PRO 38 5.101 18.632 3.242
272 HD2 PRO 38 1HD PRO 38 3.558 16.417 3.032
273 HD3 PRO 38 2HD PRO 38 3.519 17.476 4.456
274 H SER 39 H SER 39 -0.374 19.147 1.379
275 HA SER 39 HA SER 39 0.021 17.997 -1.104
276 HB2 SER 39 1HB SER 39 -2.172 18.724 0.140
277 HB3 SER 39 2HB SER 39 -1.983 20.207 -0.796
278 HG SER 39 HG SER 39 -1.698 18.557 -2.620
279 H GLY 40 H GLY 40 0.632 18.698 -3.096
280 HA2 GLY 40 1HA GLY 40 0.848 21.446 -3.810
281 HA3 GLY 40 2HA GLY 40 2.419 20.789 -3.377
282 HA PRO 41 HA PRO 41 0.949 19.654 -7.816
283 HB2 PRO 41 1HB PRO 41 1.961 21.735 -9.236
284 HB3 PRO 41 2HB PRO 41 0.311 21.716 -8.603
285 HG2 PRO 41 1HG PRO 41 2.752 23.043 -7.489
286 HG3 PRO 41 2HG PRO 41 1.099 23.672 -7.622
287 HD2 PRO 41 1HD PRO 41 2.100 22.685 -5.308
288 HD3 PRO 41 2HD PRO 41 0.384 22.545 -5.743
289 H SER 42 H SER 42 2.583 18.065 -7.334
290 HA SER 42 HA SER 42 5.352 18.800 -7.872
291 HB2 SER 42 1HB SER 42 4.652 17.260 -5.964
292 HB3 SER 42 2HB SER 42 4.313 16.047 -7.198
293 HG SER 42 HG SER 42 6.441 15.880 -6.328
294 H SER 43 H SER 43 3.247 16.118 -8.927
295 HA SER 43 HA SER 43 3.587 16.595 -11.685
296 HB2 SER 43 1HB SER 43 5.849 15.918 -11.510
297 HB3 SER 43 2HB SER 43 5.452 14.591 -10.418
298 HG SER 43 HG SER 43 5.024 13.373 -12.077
299 H GLY 44 H GLY 44 2.029 15.541 -12.767
300 HA2 GLY 44 1HA GLY 44 1.065 13.149 -12.943
301 HA3 GLY 44 2HA GLY 44 0.549 13.468 -11.294
Start of MODEL 6
1 H1 GLY 1 H GLY 1 7.242 -26.204 -3.233
2 HA2 GLY 1 1HA GLY 1 4.960 -26.478 -4.606
3 HA3 GLY 1 2HA GLY 1 5.108 -24.729 -4.542
4 H SER 2 H SER 2 5.039 -25.759 -6.979
5 HA SER 2 HA SER 2 7.442 -26.659 -8.099
6 HB2 SER 2 1HB SER 2 6.489 -25.992 -10.255
7 HB3 SER 2 2HB SER 2 5.265 -26.778 -9.259
8 HG SER 2 HG SER 2 5.580 -23.968 -9.349
9 H SER 3 H SER 3 6.330 -23.457 -7.277
10 HA SER 3 HA SER 3 7.223 -21.368 -7.721
11 HB2 SER 3 1HB SER 3 8.428 -22.488 -5.712
12 HB3 SER 3 2HB SER 3 9.801 -22.624 -6.810
13 HG SER 3 HG SER 3 8.552 -20.145 -6.662
14 H GLY 4 H GLY 4 7.130 -22.705 -10.120
15 HA2 GLY 4 1HA GLY 4 9.770 -22.406 -11.354
16 HA3 GLY 4 2HA GLY 4 8.359 -23.147 -12.095
17 H SER 5 H SER 5 6.442 -21.439 -12.208
18 HA SER 5 HA SER 5 7.587 -19.053 -13.501
19 HB2 SER 5 1HB SER 5 6.333 -20.733 -14.943
20 HB3 SER 5 2HB SER 5 4.874 -20.249 -14.079
21 HG SER 5 HG SER 5 4.833 -18.448 -15.171
22 H SER 6 H SER 6 5.737 -17.290 -13.692
23 HA SER 6 HA SER 6 4.914 -16.752 -10.934
24 HB2 SER 6 1HB SER 6 6.235 -14.996 -11.926
25 HB3 SER 6 2HB SER 6 5.188 -14.944 -13.344
26 HG SER 6 HG SER 6 4.408 -14.312 -10.687
27 H GLY 7 H GLY 7 2.821 -16.414 -10.332
28 HA2 GLY 7 1HA GLY 7 0.749 -16.410 -12.408
29 HA3 GLY 7 2HA GLY 7 0.699 -17.676 -11.191
30 H GLU 8 H GLU 8 1.553 -16.088 -8.985
31 HA GLU 8 HA GLU 8 -0.966 -14.795 -8.391
32 HB2 GLU 8 1HB GLU 8 1.433 -15.622 -6.817
33 HB3 GLU 8 2HB GLU 8 0.381 -14.381 -6.150
34 HG2 GLU 8 1HG GLU 8 -0.500 -16.290 -5.235
35 HG3 GLU 8 2HG GLU 8 -1.516 -16.072 -6.659
36 H LYS 9 H LYS 9 -1.093 -12.646 -7.464
37 HA LYS 9 HA LYS 9 1.107 -10.843 -8.150
38 HB2 LYS 9 1HB LYS 9 -1.644 -10.806 -9.311
39 HB3 LYS 9 2HB LYS 9 -0.847 -9.270 -8.996
40 HG2 LYS 9 1HG LYS 9 1.095 -10.131 -10.350
41 HG3 LYS 9 2HG LYS 9 0.056 -11.477 -10.824
42 HD2 LYS 9 1HD LYS 9 -1.305 -10.155 -12.106
43 HD3 LYS 9 2HD LYS 9 -0.995 -8.712 -11.137
44 HE2 LYS 9 1HE LYS 9 0.921 -8.196 -12.271
45 HE3 LYS 9 2HE LYS 9 1.272 -9.878 -12.662
46 HZ1 LYS 9 3HZ LYS 9 0.580 -8.439 -14.575
47 HZ2 LYS 9 1HZ LYS 9 -0.967 -8.376 -13.892
48 HZ3 LYS 9 2HZ LYS 9 -0.320 -9.859 -14.384
49 H LEU 10 H LEU 10 1.417 -9.274 -6.681
50 HA LEU 10 HA LEU 10 -0.654 -8.923 -4.614
51 HB2 LEU 10 1HB LEU 10 2.345 -8.743 -4.395
52 HB3 LEU 10 2HB LEU 10 1.229 -8.276 -3.113
53 HG LEU 10 HG LEU 10 0.379 -10.728 -3.327
54 HD11 LEU 10 1HD1 LEU 10 2.155 -10.844 -5.361
55 HD12 LEU 10 2HD1 LEU 10 1.616 -12.243 -4.433
56 HD13 LEU 10 3HD1 LEU 10 3.140 -11.451 -4.030
57 HD21 LEU 10 3HD2 LEU 10 3.108 -10.522 -2.142
58 HD22 LEU 10 1HD2 LEU 10 1.648 -11.267 -1.490
59 HD23 LEU 10 2HD2 LEU 10 1.811 -9.511 -1.504
60 H HIS 11 H HIS 11 -1.350 -6.909 -4.153
61 HA HIS 11 HA HIS 11 -0.488 -4.761 -5.898
62 HB2 HIS 11 1HB HIS 11 -2.776 -5.201 -4.029
63 HB3 HIS 11 2HB HIS 11 -2.342 -3.548 -4.452
64 HD2 HIS 11 HD2 HIS 11 -4.176 -6.577 -5.952
65 HE1 HIS 11 HE1 HIS 11 -3.983 -3.588 -8.956
66 HE2 HIS 11 HE2 HIS 11 -5.044 -5.760 -8.247
67 H GLU 12 H GLU 12 1.005 -3.317 -5.373
68 HA GLU 12 HA GLU 12 1.621 -2.913 -2.520
69 HB2 GLU 12 1HB GLU 12 3.881 -2.646 -3.028
70 HB3 GLU 12 2HB GLU 12 3.383 -3.949 -4.099
71 HG2 GLU 12 1HG GLU 12 3.112 -2.276 -5.913
72 HG3 GLU 12 2HG GLU 12 3.778 -1.058 -4.827
73 H CYS 13 H CYS 13 2.353 -0.765 -1.905
74 HA CYS 13 HA CYS 13 0.662 1.264 -2.981
75 HB2 CYS 13 1HB CYS 13 1.550 0.958 -0.551
76 HB3 CYS 13 2HB CYS 13 2.962 1.832 -1.136
77 H SER 14 H SER 14 1.681 3.516 -3.396
78 HA SER 14 HA SER 14 3.850 3.149 -5.353
79 HB2 SER 14 1HB SER 14 1.741 5.320 -5.293
80 HB3 SER 14 2HB SER 14 2.945 5.063 -6.556
81 HG SER 14 HG SER 14 1.176 2.992 -5.862
82 H GLU 15 H GLU 15 2.870 4.786 -2.493
83 HA GLU 15 HA GLU 15 4.969 6.794 -2.699
84 HB2 GLU 15 1HB GLU 15 2.793 6.265 -0.685
85 HB3 GLU 15 2HB GLU 15 4.074 7.430 -0.383
86 HG2 GLU 15 1HG GLU 15 3.307 8.326 -2.753
87 HG3 GLU 15 2HG GLU 15 1.797 7.556 -2.272
88 H CYS 16 H CYS 16 4.069 4.110 -0.544
89 HA CYS 16 HA CYS 16 6.785 4.156 0.573
90 HB2 CYS 16 1HB CYS 16 5.871 2.750 2.374
91 HB3 CYS 16 2HB CYS 16 4.975 4.258 2.214
92 H ARG 17 H ARG 17 4.807 2.467 -1.602
93 HA ARG 17 HA ARG 17 5.094 0.575 -2.831
94 HB2 ARG 17 1HB ARG 17 7.920 0.888 -1.814
95 HB3 ARG 17 2HB ARG 17 7.442 -0.318 -3.000
96 HG2 ARG 17 1HG ARG 17 7.008 2.628 -3.397
97 HG3 ARG 17 2HG ARG 17 8.468 1.785 -3.916
98 HD2 ARG 17 1HD ARG 17 5.829 0.679 -4.729
99 HD3 ARG 17 2HD ARG 17 6.411 2.133 -5.539
100 HE ARG 17 HE ARG 17 7.416 -0.537 -5.844
101 HH11 ARG 17 1HH1 ARG 17 8.202 2.847 -6.069
102 HH12 ARG 17 2HH1 ARG 17 9.485 2.607 -7.208
103 HH21 ARG 17 1HH2 ARG 17 9.102 -0.866 -7.344
104 HH22 ARG 17 2HH2 ARG 17 9.996 0.494 -7.933
105 H LYS 18 H LYS 18 3.972 0.238 -0.324
106 HA LYS 18 HA LYS 18 5.211 -2.181 0.773
107 HB2 LYS 18 1HB LYS 18 4.370 -0.150 2.179
108 HB3 LYS 18 2HB LYS 18 2.779 -0.854 1.926
109 HG2 LYS 18 1HG LYS 18 3.394 -2.853 3.055
110 HG3 LYS 18 2HG LYS 18 5.092 -2.374 3.102
111 HD2 LYS 18 1HD LYS 18 4.171 -0.307 4.410
112 HD3 LYS 18 2HD LYS 18 2.784 -1.358 4.707
113 HE2 LYS 18 1HE LYS 18 4.660 -3.078 5.382
114 HE3 LYS 18 2HE LYS 18 5.604 -1.611 5.639
115 HZ1 LYS 18 3HZ LYS 18 4.305 -2.528 7.602
116 HZ2 LYS 18 1HZ LYS 18 2.918 -1.948 6.826
117 HZ3 LYS 18 2HZ LYS 18 4.143 -0.875 7.281
118 H THR 19 H THR 19 4.277 -4.156 0.663
119 HA THR 19 HA THR 19 2.089 -4.484 -1.203
120 HB THR 19 HB THR 19 2.491 -6.902 -0.941
121 HG1 THR 19 HG1 THR 19 4.477 -7.387 0.356
122 HG21 THR 19 3HG2 THR 19 3.834 -5.512 -2.528
123 HG22 THR 19 1HG2 THR 19 4.651 -6.976 -1.984
124 HG23 THR 19 2HG2 THR 19 5.092 -5.413 -1.296
125 H PHE 20 H PHE 20 0.183 -5.720 -0.743
126 HA PHE 20 HA PHE 20 -0.529 -5.959 2.089
127 HB2 PHE 20 1HB PHE 20 -2.185 -4.523 0.005
128 HB3 PHE 20 2HB PHE 20 -2.754 -4.943 1.618
129 HD1 PHE 20 HD1 PHE 20 -0.096 -3.036 -0.147
130 HD2 PHE 20 HD2 PHE 20 -2.438 -3.474 3.381
131 HE1 PHE 20 HE1 PHE 20 0.818 -0.922 0.718
132 HE2 PHE 20 HE2 PHE 20 -1.528 -1.360 4.251
133 HZ PHE 20 HZ PHE 20 0.102 -0.081 2.919
134 H SER 21 H SER 21 -2.170 -7.473 2.538
135 HA SER 21 HA SER 21 -2.144 -9.801 1.036
136 HB2 SER 21 1HB SER 21 -3.966 -10.575 2.440
137 HB3 SER 21 2HB SER 21 -2.842 -9.637 3.424
138 HG SER 21 HG SER 21 -5.132 -8.479 2.238
139 H PHE 22 H PHE 22 -4.493 -7.156 1.018
140 HA PHE 22 HA PHE 22 -5.439 -8.097 -1.588
141 HB2 PHE 22 1HB PHE 22 -7.340 -7.201 0.583
142 HB3 PHE 22 2HB PHE 22 -7.756 -7.852 -1.000
143 HD1 PHE 22 HD2 PHE 22 -6.885 -10.264 -1.485
144 HD2 PHE 22 HD1 PHE 22 -7.323 -8.601 2.408
145 HE1 PHE 22 HE2 PHE 22 -6.971 -12.530 -0.531
146 HE2 PHE 22 HE1 PHE 22 -7.409 -10.864 3.369
147 HZ PHE 22 HZ PHE 22 -7.234 -12.833 1.899
148 H HIS 23 H HIS 23 -6.197 -6.480 -2.963
149 HA HIS 23 HA HIS 23 -4.985 -3.996 -2.818
150 HB2 HIS 23 1HB HIS 23 -6.147 -5.216 -4.809
151 HB3 HIS 23 2HB HIS 23 -7.582 -4.340 -4.283
152 HD2 HIS 23 HD2 HIS 23 -5.908 -1.485 -3.640
153 HE1 HIS 23 HE1 HIS 23 -5.129 -1.676 -7.806
154 HE2 HIS 23 HE2 HIS 23 -5.081 -0.229 -5.744
155 H SER 24 H SER 24 -8.285 -4.913 -1.906
156 HA SER 24 HA SER 24 -9.517 -2.583 -1.392
157 HB2 SER 24 1HB SER 24 -10.544 -4.735 -0.872
158 HB3 SER 24 2HB SER 24 -9.439 -4.960 0.483
159 HG SER 24 HG SER 24 -10.460 -2.721 1.045
160 H GLN 25 H GLN 25 -7.186 -4.104 0.822
161 HA GLN 25 HA GLN 25 -7.247 -2.048 2.755
162 HB2 GLN 25 1HB GLN 25 -5.456 -4.348 2.149
163 HB3 GLN 25 2HB GLN 25 -4.837 -3.087 3.207
164 HG2 GLN 25 1HG GLN 25 -7.529 -4.198 3.780
165 HG3 GLN 25 2HG GLN 25 -6.117 -5.188 4.145
166 HE21 GLN 25 1HE2 GLN 25 -7.938 -4.183 6.050
167 HE22 GLN 25 2HE2 GLN 25 -7.082 -3.094 7.082
168 H LEU 26 H LEU 26 -4.846 -2.765 0.219
169 HA LEU 26 HA LEU 26 -3.033 -0.803 0.532
170 HB2 LEU 26 1HB LEU 26 -2.696 -2.223 -1.278
171 HB3 LEU 26 2HB LEU 26 -4.293 -1.899 -1.950
172 HG LEU 26 HG LEU 26 -3.563 0.300 -2.685
173 HD11 LEU 26 1HD1 LEU 26 -0.737 -0.276 -1.978
174 HD12 LEU 26 2HD1 LEU 26 -1.807 0.329 -0.714
175 HD13 LEU 26 3HD1 LEU 26 -1.562 1.269 -2.186
176 HD21 LEU 26 3HD2 LEU 26 -1.947 -0.400 -4.385
177 HD22 LEU 26 1HD2 LEU 26 -3.238 -1.585 -4.192
178 HD23 LEU 26 2HD2 LEU 26 -1.650 -1.890 -3.489
179 H VAL 27 H VAL 27 -5.946 -0.324 -1.477
180 HA VAL 27 HA VAL 27 -5.737 2.334 -2.027
181 HB VAL 27 HB VAL 27 -8.327 1.001 -1.229
182 HG11 VAL 27 1HG1 VAL 27 -9.405 2.624 -2.602
183 HG12 VAL 27 2HG1 VAL 27 -8.322 3.493 -1.513
184 HG13 VAL 27 3HG1 VAL 27 -7.861 3.235 -3.196
185 HG21 VAL 27 3HG2 VAL 27 -8.045 1.043 -4.025
186 HG22 VAL 27 1HG2 VAL 27 -6.530 0.410 -3.381
187 HG23 VAL 27 2HG2 VAL 27 -8.058 -0.364 -2.962
188 H ILE 28 H ILE 28 -7.174 0.933 0.909
189 HA ILE 28 HA ILE 28 -7.866 3.367 2.131
190 HB ILE 28 HB ILE 28 -7.122 0.792 3.521
191 HG12 ILE 28 1HG1 ILE 28 -9.913 1.661 2.807
192 HG13 ILE 28 2HG1 ILE 28 -8.936 0.728 1.678
193 HG21 ILE 28 1HG2 ILE 28 -8.744 3.177 4.391
194 HG22 ILE 28 2HG2 ILE 28 -8.680 1.648 5.266
195 HG23 ILE 28 3HG2 ILE 28 -7.217 2.614 5.072
196 HD11 ILE 28 3HD1 ILE 28 -9.005 -0.406 4.359
197 HD12 ILE 28 1HD1 ILE 28 -10.588 -0.303 3.589
198 HD13 ILE 28 2HD1 ILE 28 -9.274 -1.169 2.792
199 H HIS 29 H HIS 29 -4.900 1.462 2.196
200 HA HIS 29 HA HIS 29 -3.582 2.874 4.240
201 HB2 HIS 29 1HB HIS 29 -2.622 0.812 3.659
202 HB3 HIS 29 2HB HIS 29 -2.627 1.190 1.939
203 HD1 HIS 29 HD1 HIS 29 -0.635 1.629 5.048
204 HD2 HIS 29 HD2 HIS 29 -0.479 2.802 1.065
205 HE1 HIS 29 HE1 HIS 29 1.690 2.522 4.700
206 H GLN 30 H GLN 30 -3.283 3.194 0.700
207 HA GLN 30 HA GLN 30 -1.501 5.186 0.422
208 HB2 GLN 30 1HB GLN 30 -4.150 4.914 -1.000
209 HB3 GLN 30 2HB GLN 30 -2.886 6.027 -1.507
210 HG2 GLN 30 1HG GLN 30 -1.359 4.051 -1.710
211 HG3 GLN 30 2HG GLN 30 -2.768 3.025 -1.441
212 HE21 GLN 30 1HE2 GLN 30 -2.956 2.078 -3.385
213 HE22 GLN 30 2HE2 GLN 30 -3.229 2.924 -4.866
214 H ARG 31 H ARG 31 -4.624 5.469 1.895
215 HA ARG 31 HA ARG 31 -5.033 8.227 1.733
216 HB2 ARG 31 1HB ARG 31 -5.797 6.320 3.952
217 HB3 ARG 31 2HB ARG 31 -6.440 7.945 3.752
218 HG2 ARG 31 1HG ARG 31 -7.522 7.345 1.713
219 HG3 ARG 31 2HG ARG 31 -6.716 5.775 1.688
220 HD2 ARG 31 1HD ARG 31 -8.876 5.318 2.470
221 HD3 ARG 31 2HD ARG 31 -7.873 5.340 3.920
222 HE ARG 31 HE ARG 31 -9.053 7.152 4.660
223 HH11 ARG 31 1HH1 ARG 31 -9.617 6.750 1.248
224 HH12 ARG 31 2HH1 ARG 31 -10.847 7.967 1.175
225 HH21 ARG 31 1HH2 ARG 31 -10.672 8.758 4.576
226 HH22 ARG 31 2HH2 ARG 31 -11.446 9.109 3.068
227 H ILE 32 H ILE 32 -3.598 6.382 4.431
228 HA ILE 32 HA ILE 32 -2.899 8.241 6.203
229 HB ILE 32 HB ILE 32 -1.038 6.969 6.877
230 HG12 ILE 32 1HG1 ILE 32 -0.895 5.896 4.051
231 HG13 ILE 32 2HG1 ILE 32 0.216 7.056 4.772
232 HG21 ILE 32 1HG2 ILE 32 -1.848 4.732 6.895
233 HG22 ILE 32 2HG2 ILE 32 -3.253 5.796 6.882
234 HG23 ILE 32 3HG2 ILE 32 -2.751 4.982 5.401
235 HD11 ILE 32 3HD1 ILE 32 1.029 5.406 6.304
236 HD12 ILE 32 1HD1 ILE 32 -0.187 4.247 5.768
237 HD13 ILE 32 2HD1 ILE 32 1.097 4.750 4.668
238 H HIS 33 H HIS 33 -1.430 7.888 3.035
239 HA HIS 33 HA HIS 33 0.633 9.823 3.500
240 HB2 HIS 33 1HB HIS 33 -0.430 8.673 0.911
241 HB3 HIS 33 2HB HIS 33 1.031 9.644 1.068
242 HD1 HIS 33 HD1 HIS 33 2.611 8.425 3.201
243 HD2 HIS 33 HD2 HIS 33 0.298 6.095 0.654
244 HE1 HIS 33 HE1 HIS 33 3.605 6.118 3.312
245 H THR 34 H THR 34 -2.377 9.833 1.596
246 HA THR 34 HA THR 34 -2.236 12.519 0.792
247 HB THR 34 HB THR 34 -4.711 12.327 0.428
248 HG1 THR 34 HG1 THR 34 -5.389 10.899 1.957
249 HG21 THR 34 3HG2 THR 34 -3.636 9.829 -0.720
250 HG22 THR 34 1HG2 THR 34 -2.685 11.283 -1.019
251 HG23 THR 34 2HG2 THR 34 -4.376 11.216 -1.517
252 H GLY 35 H GLY 35 -3.993 11.018 3.506
253 HA2 GLY 35 1HA GLY 35 -5.352 13.062 4.604
254 HA3 GLY 35 2HA GLY 35 -4.453 11.920 5.592
255 H GLU 36 H GLU 36 -2.454 12.506 6.444
256 HA GLU 36 HA GLU 36 -2.137 15.230 7.077
257 HB2 GLU 36 1HB GLU 36 -0.538 12.752 7.507
258 HB3 GLU 36 2HB GLU 36 0.263 14.299 7.745
259 HG2 GLU 36 1HG GLU 36 -1.322 14.931 9.425
260 HG3 GLU 36 2HG GLU 36 -2.298 13.498 9.104
261 H ASN 37 H ASN 37 -0.068 16.458 6.709
262 HA ASN 37 HA ASN 37 0.271 17.012 4.002
263 HB2 ASN 37 1HB ASN 37 1.786 17.714 6.482
264 HB3 ASN 37 2HB ASN 37 2.504 18.087 4.918
265 HD21 ASN 37 1HD2 ASN 37 1.187 19.367 3.427
266 HD22 ASN 37 2HD2 ASN 37 0.138 20.574 4.081
267 HA PRO 38 HA PRO 38 3.012 13.898 2.533
268 HB2 PRO 38 1HB PRO 38 4.114 15.234 0.443
269 HB3 PRO 38 2HB PRO 38 2.458 14.616 0.422
270 HG2 PRO 38 1HG PRO 38 3.438 17.392 0.968
271 HG3 PRO 38 2HG PRO 38 2.057 16.865 -0.013
272 HD2 PRO 38 1HD PRO 38 1.777 17.806 2.511
273 HD3 PRO 38 2HD PRO 38 0.701 16.569 1.827
274 H SER 39 H SER 39 4.913 13.261 3.313
275 HA SER 39 HA SER 39 7.017 15.284 3.724
276 HB2 SER 39 1HB SER 39 7.749 14.050 5.702
277 HB3 SER 39 2HB SER 39 6.054 14.507 5.868
278 HG SER 39 HG SER 39 5.898 12.213 4.768
279 H GLY 40 H GLY 40 7.933 14.803 1.689
280 HA2 GLY 40 1HA GLY 40 9.630 12.429 1.746
281 HA3 GLY 40 2HA GLY 40 8.525 12.573 0.387
282 HA PRO 41 HA PRO 41 12.553 15.188 -0.028
283 HB2 PRO 41 1HB PRO 41 14.259 13.381 -1.121
284 HB3 PRO 41 2HB PRO 41 14.156 13.674 0.619
285 HG2 PRO 41 1HG PRO 41 12.929 11.482 -1.009
286 HG3 PRO 41 2HG PRO 41 13.736 11.388 0.567
287 HD2 PRO 41 1HD PRO 41 11.040 11.394 0.309
288 HD3 PRO 41 2HD PRO 41 11.867 12.109 1.708
289 H SER 42 H SER 42 11.506 16.271 -1.672
290 HA SER 42 HA SER 42 11.568 14.979 -4.321
291 HB2 SER 42 1HB SER 42 9.616 16.220 -4.955
292 HB3 SER 42 2HB SER 42 9.270 15.473 -3.396
293 HG SER 42 HG SER 42 8.761 17.447 -2.862
294 H SER 43 H SER 43 12.251 16.201 -6.086
295 HA SER 43 HA SER 43 14.261 18.121 -5.543
296 HB2 SER 43 1HB SER 43 14.251 16.567 -7.510
297 HB3 SER 43 2HB SER 43 12.956 17.538 -8.211
298 HG SER 43 HG SER 43 15.333 18.785 -7.387
299 H GLY 44 H GLY 44 14.337 20.297 -6.595
300 HA2 GLY 44 1HA GLY 44 13.530 22.444 -6.700
301 HA3 GLY 44 2HA GLY 44 12.103 21.725 -7.431
Start of MODEL 7
1 H1 GLY 1 H GLY 1 22.385 -15.252 4.460
2 HA2 GLY 1 1HA GLY 1 20.666 -16.805 3.384
3 HA3 GLY 1 2HA GLY 1 20.169 -15.127 3.545
4 H SER 2 H SER 2 21.364 -17.573 1.343
5 HA SER 2 HA SER 2 21.231 -15.839 -0.958
6 HB2 SER 2 1HB SER 2 21.701 -18.809 -0.655
7 HB3 SER 2 2HB SER 2 21.665 -17.991 -2.217
8 HG SER 2 HG SER 2 23.719 -18.239 -0.632
9 H SER 3 H SER 3 18.805 -15.840 0.385
10 HA SER 3 HA SER 3 17.007 -17.625 -1.042
11 HB2 SER 3 1HB SER 3 16.787 -16.956 1.436
12 HB3 SER 3 2HB SER 3 16.167 -15.420 0.832
13 HG SER 3 HG SER 3 15.027 -17.962 0.753
14 H GLY 4 H GLY 4 15.013 -16.683 -2.040
15 HA2 GLY 4 1HA GLY 4 15.810 -14.468 -3.783
16 HA3 GLY 4 2HA GLY 4 14.487 -15.589 -4.071
17 H SER 5 H SER 5 12.748 -14.313 -4.275
18 HA SER 5 HA SER 5 12.000 -12.686 -1.961
19 HB2 SER 5 1HB SER 5 11.243 -10.851 -3.468
20 HB3 SER 5 2HB SER 5 12.991 -11.083 -3.490
21 HG SER 5 HG SER 5 11.486 -12.492 -5.364
22 H SER 6 H SER 6 9.731 -12.262 -1.803
23 HA SER 6 HA SER 6 8.105 -14.177 -3.341
24 HB2 SER 6 1HB SER 6 8.169 -14.815 -1.015
25 HB3 SER 6 2HB SER 6 7.767 -13.176 -0.506
26 HG SER 6 HG SER 6 6.107 -15.150 -1.063
27 H GLY 7 H GLY 7 6.048 -13.549 -4.052
28 HA2 GLY 7 1HA GLY 7 4.479 -11.455 -3.628
29 HA3 GLY 7 2HA GLY 7 5.800 -10.673 -4.483
30 H GLU 8 H GLU 8 2.876 -12.303 -4.799
31 HA GLU 8 HA GLU 8 3.392 -13.023 -7.595
32 HB2 GLU 8 1HB GLU 8 2.312 -14.661 -5.978
33 HB3 GLU 8 2HB GLU 8 0.900 -13.614 -6.003
34 HG2 GLU 8 1HG GLU 8 0.498 -14.037 -8.283
35 HG3 GLU 8 2HG GLU 8 2.085 -14.769 -8.505
36 H LYS 9 H LYS 9 3.361 -10.966 -8.519
37 HA LYS 9 HA LYS 9 2.488 -8.937 -9.186
38 HB2 LYS 9 1HB LYS 9 0.386 -9.268 -10.493
39 HB3 LYS 9 2HB LYS 9 1.654 -10.424 -10.878
40 HG2 LYS 9 1HG LYS 9 0.554 -12.172 -9.787
41 HG3 LYS 9 2HG LYS 9 -0.504 -11.071 -8.900
42 HD2 LYS 9 1HD LYS 9 -0.625 -11.039 -11.871
43 HD3 LYS 9 2HD LYS 9 -1.345 -12.411 -11.026
44 HE2 LYS 9 1HE LYS 9 -3.129 -10.960 -11.150
45 HE3 LYS 9 2HE LYS 9 -2.464 -10.562 -9.567
46 HZ1 LYS 9 3HZ LYS 9 -1.761 -9.084 -12.039
47 HZ2 LYS 9 1HZ LYS 9 -1.428 -8.641 -10.440
48 HZ3 LYS 9 2HZ LYS 9 -3.020 -8.619 -11.009
49 H LEU 10 H LEU 10 1.965 -9.559 -6.362
50 HA LEU 10 HA LEU 10 -0.665 -8.901 -5.627
51 HB2 LEU 10 1HB LEU 10 1.981 -8.764 -4.238
52 HB3 LEU 10 2HB LEU 10 0.535 -8.115 -3.466
53 HG LEU 10 HG LEU 10 0.630 -10.948 -4.452
54 HD11 LEU 10 1HD1 LEU 10 2.369 -11.212 -3.029
55 HD12 LEU 10 2HD1 LEU 10 1.069 -11.270 -1.838
56 HD13 LEU 10 3HD1 LEU 10 1.968 -9.773 -2.091
57 HD21 LEU 10 3HD2 LEU 10 -0.829 -10.585 -2.060
58 HD22 LEU 10 1HD2 LEU 10 -1.445 -10.955 -3.671
59 HD23 LEU 10 2HD2 LEU 10 -1.281 -9.277 -3.154
60 H HIS 11 H HIS 11 -1.257 -6.887 -4.397
61 HA HIS 11 HA HIS 11 -0.536 -4.577 -6.017
62 HB2 HIS 11 1HB HIS 11 -2.758 -5.205 -4.107
63 HB3 HIS 11 2HB HIS 11 -2.397 -3.527 -4.500
64 HD2 HIS 11 HD2 HIS 11 -3.969 -6.680 -6.142
65 HE1 HIS 11 HE1 HIS 11 -4.347 -3.438 -8.852
66 HE2 HIS 11 HE2 HIS 11 -5.059 -5.793 -8.314
67 H GLU 12 H GLU 12 0.787 -3.007 -5.366
68 HA GLU 12 HA GLU 12 1.420 -2.813 -2.496
69 HB2 GLU 12 1HB GLU 12 3.708 -2.549 -2.926
70 HB3 GLU 12 2HB GLU 12 3.222 -3.856 -3.997
71 HG2 GLU 12 1HG GLU 12 2.997 -2.149 -5.819
72 HG3 GLU 12 2HG GLU 12 3.743 -0.988 -4.723
73 H CYS 13 H CYS 13 2.467 -0.664 -1.956
74 HA CYS 13 HA CYS 13 0.761 1.431 -2.951
75 HB2 CYS 13 1HB CYS 13 1.640 1.051 -0.523
76 HB3 CYS 13 2HB CYS 13 3.074 1.896 -1.096
77 H SER 14 H SER 14 1.879 3.654 -3.314
78 HA SER 14 HA SER 14 4.033 3.232 -5.277
79 HB2 SER 14 1HB SER 14 1.644 4.194 -5.896
80 HB3 SER 14 2HB SER 14 2.347 5.700 -5.306
81 HG SER 14 HG SER 14 3.221 4.071 -7.447
82 H GLU 15 H GLU 15 3.020 5.009 -2.472
83 HA GLU 15 HA GLU 15 5.245 6.866 -2.618
84 HB2 GLU 15 1HB GLU 15 2.944 6.476 -0.731
85 HB3 GLU 15 2HB GLU 15 4.310 7.481 -0.269
86 HG2 GLU 15 1HG GLU 15 2.721 7.901 -2.784
87 HG3 GLU 15 2HG GLU 15 2.360 8.698 -1.254
88 H CYS 16 H CYS 16 4.165 4.245 -0.468
89 HA CYS 16 HA CYS 16 6.851 4.167 0.716
90 HB2 CYS 16 1HB CYS 16 5.842 2.838 2.506
91 HB3 CYS 16 2HB CYS 16 4.972 4.354 2.290
92 H ARG 17 H ARG 17 4.830 2.543 -1.484
93 HA ARG 17 HA ARG 17 5.051 0.628 -2.691
94 HB2 ARG 17 1HB ARG 17 7.894 0.705 -1.663
95 HB3 ARG 17 2HB ARG 17 7.314 -0.275 -3.003
96 HG2 ARG 17 1HG ARG 17 7.214 2.732 -2.951
97 HG3 ARG 17 2HG ARG 17 8.519 1.792 -3.678
98 HD2 ARG 17 1HD ARG 17 6.496 0.621 -4.915
99 HD3 ARG 17 2HD ARG 17 5.706 2.159 -4.570
100 HE ARG 17 HE ARG 17 8.187 2.731 -5.685
101 HH11 ARG 17 1HH1 ARG 17 5.206 1.189 -6.611
102 HH12 ARG 17 2HH1 ARG 17 5.366 1.594 -8.288
103 HH21 ARG 17 1HH2 ARG 17 8.409 3.270 -7.891
104 HH22 ARG 17 2HH2 ARG 17 7.188 2.777 -9.015
105 H LYS 18 H LYS 18 3.841 0.269 -0.295
106 HA LYS 18 HA LYS 18 5.065 -2.084 0.946
107 HB2 LYS 18 1HB LYS 18 4.020 -0.047 2.214
108 HB3 LYS 18 2HB LYS 18 2.493 -0.848 1.867
109 HG2 LYS 18 1HG LYS 18 3.586 -2.925 2.917
110 HG3 LYS 18 2HG LYS 18 4.765 -1.787 3.573
111 HD2 LYS 18 1HD LYS 18 2.940 -0.520 4.620
112 HD3 LYS 18 2HD LYS 18 1.775 -1.682 3.981
113 HE2 LYS 18 1HE LYS 18 2.132 -2.378 6.184
114 HE3 LYS 18 2HE LYS 18 3.146 -3.453 5.222
115 HZ1 LYS 18 3HZ LYS 18 4.009 -1.110 6.820
116 HZ2 LYS 18 1HZ LYS 18 5.017 -1.891 5.708
117 HZ3 LYS 18 2HZ LYS 18 4.429 -2.731 7.053
118 H THR 19 H THR 19 4.246 -4.097 0.769
119 HA THR 19 HA THR 19 2.215 -4.549 -1.240
120 HB THR 19 HB THR 19 2.708 -6.936 -0.929
121 HG1 THR 19 HG1 THR 19 4.648 -7.263 0.549
122 HG21 THR 19 3HG2 THR 19 5.293 -6.701 -1.330
123 HG22 THR 19 1HG2 THR 19 4.919 -4.979 -1.373
124 HG23 THR 19 2HG2 THR 19 4.144 -6.078 -2.514
125 H PHE 20 H PHE 20 0.228 -5.527 -0.934
126 HA PHE 20 HA PHE 20 -0.639 -5.942 1.843
127 HB2 PHE 20 1HB PHE 20 -2.177 -4.445 -0.289
128 HB3 PHE 20 2HB PHE 20 -2.807 -4.874 1.298
129 HD1 PHE 20 HD1 PHE 20 -0.119 -2.944 -0.381
130 HD2 PHE 20 HD2 PHE 20 -2.490 -3.460 3.116
131 HE1 PHE 20 HE1 PHE 20 0.785 -0.848 0.537
132 HE2 PHE 20 HE2 PHE 20 -1.591 -1.364 4.039
133 HZ PHE 20 HZ PHE 20 0.048 -0.055 2.750
134 H SER 21 H SER 21 -2.117 -7.575 2.171
135 HA SER 21 HA SER 21 -2.159 -9.660 0.248
136 HB2 SER 21 1HB SER 21 -2.263 -9.933 2.767
137 HB3 SER 21 2HB SER 21 -3.952 -9.435 2.672
138 HG SER 21 HG SER 21 -4.464 -11.322 1.878
139 H PHE 22 H PHE 22 -4.642 -7.413 1.427
140 HA PHE 22 HA PHE 22 -6.350 -8.229 -0.829
141 HB2 PHE 22 1HB PHE 22 -7.304 -6.718 1.595
142 HB3 PHE 22 2HB PHE 22 -8.256 -7.640 0.436
143 HD1 PHE 22 HD2 PHE 22 -7.585 -10.205 0.299
144 HD2 PHE 22 HD1 PHE 22 -6.892 -7.662 3.641
145 HE1 PHE 22 HE2 PHE 22 -7.468 -12.174 1.769
146 HE2 PHE 22 HE1 PHE 22 -6.773 -9.627 5.116
147 HZ PHE 22 HZ PHE 22 -7.062 -11.887 4.181
148 H HIS 23 H HIS 23 -6.457 -6.847 -2.459
149 HA HIS 23 HA HIS 23 -5.210 -4.436 -2.694
150 HB2 HIS 23 1HB HIS 23 -5.994 -5.210 -4.717
151 HB3 HIS 23 2HB HIS 23 -7.570 -5.644 -4.062
152 HD2 HIS 23 HD2 HIS 23 -6.169 -1.982 -3.843
153 HE1 HIS 23 HE1 HIS 23 -9.545 -2.026 -6.413
154 HE2 HIS 23 HE2 HIS 23 -7.788 -0.597 -5.309
155 H SER 24 H SER 24 -8.517 -4.997 -1.555
156 HA SER 24 HA SER 24 -9.457 -2.427 -1.359
157 HB2 SER 24 1HB SER 24 -10.944 -3.212 0.391
158 HB3 SER 24 2HB SER 24 -10.755 -4.486 -0.814
159 HG SER 24 HG SER 24 -9.077 -5.330 0.635
160 H GLN 25 H GLN 25 -7.357 -4.139 0.917
161 HA GLN 25 HA GLN 25 -7.297 -2.146 2.903
162 HB2 GLN 25 1HB GLN 25 -5.617 -4.502 2.205
163 HB3 GLN 25 2HB GLN 25 -4.931 -3.308 3.299
164 HG2 GLN 25 1HG GLN 25 -7.668 -4.307 3.860
165 HG3 GLN 25 2HG GLN 25 -6.305 -5.380 4.174
166 HE21 GLN 25 1HE2 GLN 25 -7.458 -2.093 4.796
167 HE22 GLN 25 2HE2 GLN 25 -6.770 -1.962 6.375
168 H LEU 26 H LEU 26 -4.854 -2.915 0.417
169 HA LEU 26 HA LEU 26 -3.017 -0.983 0.796
170 HB2 LEU 26 1HB LEU 26 -2.626 -2.429 -0.983
171 HB3 LEU 26 2HB LEU 26 -4.185 -2.083 -1.730
172 HG LEU 26 HG LEU 26 -3.358 0.136 -2.391
173 HD11 LEU 26 1HD1 LEU 26 -0.908 -0.797 -0.946
174 HD12 LEU 26 2HD1 LEU 26 -1.757 0.744 -0.825
175 HD13 LEU 26 3HD1 LEU 26 -0.796 0.377 -2.257
176 HD21 LEU 26 3HD2 LEU 26 -1.834 -0.622 -4.130
177 HD22 LEU 26 1HD2 LEU 26 -3.160 -1.766 -3.921
178 HD23 LEU 26 2HD2 LEU 26 -1.568 -2.133 -3.258
179 H VAL 27 H VAL 27 -5.766 -0.461 -1.422
180 HA VAL 27 HA VAL 27 -5.502 2.179 -1.962
181 HB VAL 27 HB VAL 27 -8.170 0.954 -1.264
182 HG11 VAL 27 1HG1 VAL 27 -8.005 2.735 -3.556
183 HG12 VAL 27 2HG1 VAL 27 -9.111 2.759 -2.180
184 HG13 VAL 27 3HG1 VAL 27 -7.523 3.517 -2.051
185 HG21 VAL 27 3HG2 VAL 27 -6.279 0.204 -3.303
186 HG22 VAL 27 1HG2 VAL 27 -7.824 -0.533 -2.881
187 HG23 VAL 27 2HG2 VAL 27 -7.770 0.806 -4.027
188 H ILE 28 H ILE 28 -7.024 0.824 0.944
189 HA ILE 28 HA ILE 28 -7.791 3.267 2.102
190 HB ILE 28 HB ILE 28 -7.052 0.709 3.528
191 HG12 ILE 28 1HG1 ILE 28 -9.837 1.594 2.816
192 HG13 ILE 28 2HG1 ILE 28 -8.867 0.662 1.681
193 HG21 ILE 28 1HG2 ILE 28 -8.934 2.854 4.470
194 HG22 ILE 28 2HG2 ILE 28 -8.248 1.516 5.391
195 HG23 ILE 28 3HG2 ILE 28 -7.218 2.852 4.876
196 HD11 ILE 28 3HD1 ILE 28 -8.597 -0.851 3.884
197 HD12 ILE 28 1HD1 ILE 28 -10.198 -0.168 4.164
198 HD13 ILE 28 2HD1 ILE 28 -9.872 -1.073 2.686
199 H HIS 29 H HIS 29 -4.800 1.407 2.298
200 HA HIS 29 HA HIS 29 -3.563 2.901 4.337
201 HB2 HIS 29 1HB HIS 29 -2.566 0.830 3.861
202 HB3 HIS 29 2HB HIS 29 -2.517 1.148 2.129
203 HD1 HIS 29 HD1 HIS 29 -0.635 1.713 5.285
204 HD2 HIS 29 HD2 HIS 29 -0.357 2.753 1.272
205 HE1 HIS 29 HE1 HIS 29 1.692 2.619 4.985
206 H GLN 30 H GLN 30 -3.147 3.095 0.799
207 HA GLN 30 HA GLN 30 -1.378 5.100 0.512
208 HB2 GLN 30 1HB GLN 30 -3.980 4.819 -1.000
209 HB3 GLN 30 2HB GLN 30 -2.628 5.817 -1.517
210 HG2 GLN 30 1HG GLN 30 -1.224 3.872 -1.748
211 HG3 GLN 30 2HG GLN 30 -2.502 2.839 -1.109
212 HE21 GLN 30 1HE2 GLN 30 -0.999 3.600 -3.838
213 HE22 GLN 30 2HE2 GLN 30 -2.271 3.380 -4.985
214 H ARG 31 H ARG 31 -4.553 5.393 1.865
215 HA ARG 31 HA ARG 31 -4.989 8.139 1.582
216 HB2 ARG 31 1HB ARG 31 -5.814 6.329 3.860
217 HB3 ARG 31 2HB ARG 31 -6.488 7.918 3.525
218 HG2 ARG 31 1HG ARG 31 -7.279 7.082 1.339
219 HG3 ARG 31 2HG ARG 31 -6.684 5.478 1.773
220 HD2 ARG 31 1HD ARG 31 -8.856 5.266 2.435
221 HD3 ARG 31 2HD ARG 31 -8.159 5.905 3.923
222 HE ARG 31 HE ARG 31 -9.087 7.983 2.209
223 HH11 ARG 31 1HH1 ARG 31 -10.124 5.584 4.509
224 HH12 ARG 31 2HH1 ARG 31 -11.541 6.461 4.981
225 HH21 ARG 31 1HH2 ARG 31 -10.950 9.147 2.822
226 HH22 ARG 31 2HH2 ARG 31 -12.011 8.487 4.020
227 H ILE 32 H ILE 32 -3.650 6.413 4.405
228 HA ILE 32 HA ILE 32 -3.038 8.347 6.129
229 HB ILE 32 HB ILE 32 -1.210 7.115 6.937
230 HG12 ILE 32 1HG1 ILE 32 -0.904 5.885 4.189
231 HG13 ILE 32 2HG1 ILE 32 0.108 7.171 4.837
232 HG21 ILE 32 1HG2 ILE 32 -1.992 4.870 6.988
233 HG22 ILE 32 2HG2 ILE 32 -3.409 5.910 6.858
234 HG23 ILE 32 3HG2 ILE 32 -2.811 5.054 5.437
235 HD11 ILE 32 3HD1 ILE 32 1.212 5.024 5.003
236 HD12 ILE 32 1HD1 ILE 32 0.870 5.672 6.607
237 HD13 ILE 32 2HD1 ILE 32 -0.136 4.384 5.942
238 H HIS 33 H HIS 33 -1.466 7.902 3.028
239 HA HIS 33 HA HIS 33 0.620 9.795 3.472
240 HB2 HIS 33 1HB HIS 33 -0.520 8.557 0.966
241 HB3 HIS 33 2HB HIS 33 0.823 9.697 0.942
242 HD1 HIS 33 HD1 HIS 33 2.860 8.847 2.705
243 HD2 HIS 33 HD2 HIS 33 0.343 6.007 1.016
244 HE1 HIS 33 HE1 HIS 33 4.093 6.663 2.888
245 H THR 34 H THR 34 -2.081 9.996 1.153
246 HA THR 34 HA THR 34 -1.913 12.724 0.687
247 HB THR 34 HB THR 34 -3.253 11.387 -0.774
248 HG1 THR 34 HG1 THR 34 -4.748 12.892 -1.033
249 HG21 THR 34 3HG2 THR 34 -3.957 9.739 0.968
250 HG22 THR 34 1HG2 THR 34 -5.256 10.239 -0.114
251 HG23 THR 34 2HG2 THR 34 -5.159 10.907 1.516
252 H GLY 35 H GLY 35 -3.994 11.007 3.015
253 HA2 GLY 35 1HA GLY 35 -5.419 13.095 4.073
254 HA3 GLY 35 2HA GLY 35 -4.877 11.717 5.019
255 H GLU 36 H GLU 36 -5.136 14.663 5.605
256 HA GLU 36 HA GLU 36 -2.847 16.079 5.809
257 HB2 GLU 36 1HB GLU 36 -5.159 16.618 6.769
258 HB3 GLU 36 2HB GLU 36 -4.640 15.749 8.207
259 HG2 GLU 36 1HG GLU 36 -4.218 17.987 8.688
260 HG3 GLU 36 2HG GLU 36 -2.644 17.328 8.243
261 H ASN 37 H ASN 37 -0.875 15.762 6.588
262 HA ASN 37 HA ASN 37 -0.512 13.749 8.710
263 HB2 ASN 37 1HB ASN 37 1.203 14.331 6.295
264 HB3 ASN 37 2HB ASN 37 1.794 13.416 7.678
265 HD21 ASN 37 1HD2 ASN 37 0.456 11.522 8.306
266 HD22 ASN 37 2HD2 ASN 37 -0.237 10.579 7.035
267 HA PRO 38 HA PRO 38 1.372 16.922 11.107
268 HB2 PRO 38 1HB PRO 38 2.916 15.392 12.734
269 HB3 PRO 38 2HB PRO 38 1.159 15.494 12.895
270 HG2 PRO 38 1HG PRO 38 2.821 13.383 11.574
271 HG3 PRO 38 2HG PRO 38 1.409 13.197 12.631
272 HD2 PRO 38 1HD PRO 38 1.247 12.996 9.936
273 HD3 PRO 38 2HD PRO 38 -0.081 13.631 10.928
274 H SER 39 H SER 39 3.129 18.206 10.973
275 HA SER 39 HA SER 39 5.265 17.416 9.192
276 HB2 SER 39 1HB SER 39 6.045 19.765 9.509
277 HB3 SER 39 2HB SER 39 4.370 19.659 8.967
278 HG SER 39 HG SER 39 5.381 20.342 11.503
279 H GLY 40 H GLY 40 7.272 16.810 9.744
280 HA2 GLY 40 1HA GLY 40 8.729 17.585 11.972
281 HA3 GLY 40 2HA GLY 40 7.860 16.131 12.440
282 HA PRO 41 HA PRO 41 10.985 15.021 8.877
283 HB2 PRO 41 1HB PRO 41 13.068 16.746 8.644
284 HB3 PRO 41 2HB PRO 41 11.579 16.907 7.707
285 HG2 PRO 41 1HG PRO 41 12.416 18.346 10.194
286 HG3 PRO 41 2HG PRO 41 11.636 18.990 8.738
287 HD2 PRO 41 1HD PRO 41 10.263 18.447 11.008
288 HD3 PRO 41 2HD PRO 41 9.543 18.281 9.393
289 H SER 42 H SER 42 13.121 14.043 9.040
290 HA SER 42 HA SER 42 14.813 14.402 11.269
291 HB2 SER 42 1HB SER 42 12.882 13.401 12.466
292 HB3 SER 42 2HB SER 42 13.010 11.975 11.436
293 HG SER 42 HG SER 42 14.752 11.348 12.489
294 H SER 43 H SER 43 16.649 13.053 11.206
295 HA SER 43 HA SER 43 16.859 11.422 8.759
296 HB2 SER 43 1HB SER 43 19.273 12.036 8.738
297 HB3 SER 43 2HB SER 43 18.210 13.431 8.552
298 HG SER 43 HG SER 43 19.881 12.730 10.659
299 H GLY 44 H GLY 44 16.738 9.354 9.381
300 HA2 GLY 44 1HA GLY 44 18.338 7.612 10.240
301 HA3 GLY 44 2HA GLY 44 18.320 8.532 11.737
Start of MODEL 8
1 H1 GLY 1 H GLY 1 15.001 -13.347 -24.267
2 HA2 GLY 1 1HA GLY 1 13.251 -11.596 -23.128
3 HA3 GLY 1 2HA GLY 1 12.253 -12.494 -24.261
4 H SER 2 H SER 2 11.207 -12.959 -22.085
5 HA SER 2 HA SER 2 11.908 -15.633 -21.330
6 HB2 SER 2 1HB SER 2 12.606 -13.340 -19.562
7 HB3 SER 2 2HB SER 2 11.923 -14.775 -18.797
8 HG SER 2 HG SER 2 13.759 -15.740 -19.080
9 H SER 3 H SER 3 10.130 -16.716 -20.732
10 HA SER 3 HA SER 3 7.788 -15.169 -19.843
11 HB2 SER 3 1HB SER 3 7.577 -15.818 -22.242
12 HB3 SER 3 2HB SER 3 7.704 -17.510 -21.762
13 HG SER 3 HG SER 3 5.799 -17.262 -20.568
14 H GLY 4 H GLY 4 6.351 -16.239 -18.441
15 HA2 GLY 4 1HA GLY 4 5.927 -18.635 -17.548
16 HA3 GLY 4 2HA GLY 4 7.597 -18.492 -17.020
17 H SER 5 H SER 5 5.572 -18.993 -15.217
18 HA SER 5 HA SER 5 4.627 -16.588 -13.993
19 HB2 SER 5 1HB SER 5 3.775 -18.025 -12.243
20 HB3 SER 5 2HB SER 5 3.480 -18.804 -13.797
21 HG SER 5 HG SER 5 5.558 -19.923 -13.345
22 H SER 6 H SER 6 5.613 -15.307 -12.574
23 HA SER 6 HA SER 6 7.573 -16.253 -10.717
24 HB2 SER 6 1HB SER 6 8.965 -16.099 -12.753
25 HB3 SER 6 2HB SER 6 8.512 -14.404 -12.924
26 HG SER 6 HG SER 6 10.053 -13.960 -11.585
27 H GLY 7 H GLY 7 8.288 -14.580 -9.238
28 HA2 GLY 7 1HA GLY 7 8.002 -12.678 -7.976
29 HA3 GLY 7 2HA GLY 7 7.311 -11.915 -9.400
30 H GLU 8 H GLU 8 5.985 -10.953 -7.579
31 HA GLU 8 HA GLU 8 3.710 -12.715 -6.947
32 HB2 GLU 8 1HB GLU 8 3.262 -11.002 -5.111
33 HB3 GLU 8 2HB GLU 8 4.654 -12.054 -4.894
34 HG2 GLU 8 1HG GLU 8 6.168 -10.355 -5.299
35 HG3 GLU 8 2HG GLU 8 4.984 -9.366 -6.151
36 H LYS 9 H LYS 9 1.695 -12.126 -7.544
37 HA LYS 9 HA LYS 9 1.460 -9.760 -9.246
38 HB2 LYS 9 1HB LYS 9 -0.532 -11.994 -8.824
39 HB3 LYS 9 2HB LYS 9 -0.588 -10.757 -10.073
40 HG2 LYS 9 1HG LYS 9 1.805 -12.514 -9.931
41 HG3 LYS 9 2HG LYS 9 0.302 -13.179 -10.573
42 HD2 LYS 9 1HD LYS 9 0.197 -11.291 -12.171
43 HD3 LYS 9 2HD LYS 9 1.757 -10.729 -11.567
44 HE2 LYS 9 1HE LYS 9 1.334 -13.486 -12.695
45 HE3 LYS 9 2HE LYS 9 1.805 -12.108 -13.689
46 HZ1 LYS 9 3HZ LYS 9 3.341 -12.955 -11.302
47 HZ2 LYS 9 1HZ LYS 9 3.826 -11.896 -12.530
48 HZ3 LYS 9 2HZ LYS 9 3.664 -13.549 -12.852
49 H LEU 10 H LEU 10 1.536 -9.656 -6.278
50 HA LEU 10 HA LEU 10 -1.161 -8.855 -5.551
51 HB2 LEU 10 1HB LEU 10 1.429 -9.103 -4.061
52 HB3 LEU 10 2HB LEU 10 0.046 -8.270 -3.354
53 HG LEU 10 HG LEU 10 -0.269 -11.067 -4.360
54 HD11 LEU 10 1HD1 LEU 10 1.575 -10.291 -2.326
55 HD12 LEU 10 2HD1 LEU 10 1.159 -11.908 -2.891
56 HD13 LEU 10 3HD1 LEU 10 0.231 -11.164 -1.589
57 HD21 LEU 10 3HD2 LEU 10 -1.483 -9.823 -1.922
58 HD22 LEU 10 1HD2 LEU 10 -2.088 -11.145 -2.920
59 HD23 LEU 10 2HD2 LEU 10 -2.136 -9.490 -3.527
60 H HIS 11 H HIS 11 -1.603 -6.750 -4.616
61 HA HIS 11 HA HIS 11 -0.343 -4.642 -6.150
62 HB2 HIS 11 1HB HIS 11 -2.786 -4.866 -4.443
63 HB3 HIS 11 2HB HIS 11 -2.114 -3.269 -4.754
64 HD2 HIS 11 HD2 HIS 11 -3.922 -6.146 -6.680
65 HE1 HIS 11 HE1 HIS 11 -3.691 -2.750 -9.213
66 HE2 HIS 11 HE2 HIS 11 -4.702 -5.033 -8.881
67 H GLU 12 H GLU 12 0.190 -2.551 -5.045
68 HA GLU 12 HA GLU 12 1.015 -2.710 -2.283
69 HB2 GLU 12 1HB GLU 12 3.339 -2.508 -2.580
70 HB3 GLU 12 2HB GLU 12 2.859 -3.790 -3.683
71 HG2 GLU 12 1HG GLU 12 3.233 -0.928 -4.519
72 HG3 GLU 12 2HG GLU 12 4.500 -2.150 -4.605
73 H CYS 13 H CYS 13 2.087 -0.631 -1.590
74 HA CYS 13 HA CYS 13 0.511 1.563 -2.496
75 HB2 CYS 13 1HB CYS 13 1.406 1.163 -0.135
76 HB3 CYS 13 2HB CYS 13 2.949 1.763 -0.734
77 H SER 14 H SER 14 1.559 3.713 -3.023
78 HA SER 14 HA SER 14 3.680 3.269 -5.017
79 HB2 SER 14 1HB SER 14 1.518 4.010 -5.959
80 HB3 SER 14 2HB SER 14 1.581 5.452 -4.945
81 HG SER 14 HG SER 14 3.815 5.573 -6.114
82 H GLU 15 H GLU 15 2.914 4.805 -2.090
83 HA GLU 15 HA GLU 15 4.975 6.853 -2.395
84 HB2 GLU 15 1HB GLU 15 2.991 6.300 -0.186
85 HB3 GLU 15 2HB GLU 15 4.202 7.572 -0.117
86 HG2 GLU 15 1HG GLU 15 1.993 7.343 -2.148
87 HG3 GLU 15 2HG GLU 15 2.035 8.447 -0.775
88 H CYS 16 H CYS 16 4.226 4.007 -0.431
89 HA CYS 16 HA CYS 16 6.979 4.069 0.611
90 HB2 CYS 16 1HB CYS 16 6.110 2.559 2.405
91 HB3 CYS 16 2HB CYS 16 5.375 4.159 2.404
92 H ARG 17 H ARG 17 4.893 2.469 -1.505
93 HA ARG 17 HA ARG 17 5.106 0.611 -2.801
94 HB2 ARG 17 1HB ARG 17 7.955 0.575 -1.787
95 HB3 ARG 17 2HB ARG 17 7.342 -0.286 -3.193
96 HG2 ARG 17 1HG ARG 17 7.504 2.703 -2.863
97 HG3 ARG 17 2HG ARG 17 8.549 1.697 -3.868
98 HD2 ARG 17 1HD ARG 17 6.308 0.948 -4.964
99 HD3 ARG 17 2HD ARG 17 5.679 2.435 -4.257
100 HE ARG 17 HE ARG 17 6.819 3.625 -5.843
101 HH11 ARG 17 1HH1 ARG 17 8.089 0.386 -5.721
102 HH12 ARG 17 2HH1 ARG 17 9.098 0.590 -7.114
103 HH21 ARG 17 1HH2 ARG 17 8.144 3.906 -7.678
104 HH22 ARG 17 2HH2 ARG 17 9.130 2.593 -8.226
105 H LYS 18 H LYS 18 4.034 0.280 -0.245
106 HA LYS 18 HA LYS 18 5.187 -2.184 0.813
107 HB2 LYS 18 1HB LYS 18 3.253 -0.152 1.802
108 HB3 LYS 18 2HB LYS 18 3.066 -1.797 2.395
109 HG2 LYS 18 1HG LYS 18 5.247 -1.795 3.335
110 HG3 LYS 18 2HG LYS 18 5.658 -0.279 2.531
111 HD2 LYS 18 1HD LYS 18 4.028 0.910 3.875
112 HD3 LYS 18 2HD LYS 18 3.511 -0.601 4.627
113 HE2 LYS 18 1HE LYS 18 4.950 0.186 6.226
114 HE3 LYS 18 2HE LYS 18 6.056 -0.783 5.253
115 HZ1 LYS 18 3HZ LYS 18 5.811 1.917 4.318
116 HZ2 LYS 18 1HZ LYS 18 7.201 1.014 4.659
117 HZ3 LYS 18 2HZ LYS 18 6.395 1.828 5.904
118 H THR 19 H THR 19 4.253 -4.159 0.660
119 HA THR 19 HA THR 19 2.168 -4.487 -1.313
120 HB THR 19 HB THR 19 2.534 -6.895 -1.032
121 HG1 THR 19 HG1 THR 19 4.509 -7.285 0.444
122 HG21 THR 19 3HG2 THR 19 5.048 -6.888 -1.544
123 HG22 THR 19 1HG2 THR 19 4.951 -5.137 -1.359
124 HG23 THR 19 2HG2 THR 19 3.999 -5.947 -2.603
125 H PHE 20 H PHE 20 0.241 -5.749 -0.948
126 HA PHE 20 HA PHE 20 -0.645 -5.965 1.830
127 HB2 PHE 20 1HB PHE 20 -2.144 -4.448 -0.315
128 HB3 PHE 20 2HB PHE 20 -2.815 -4.882 1.253
129 HD1 PHE 20 HD1 PHE 20 -0.083 -2.964 -0.362
130 HD2 PHE 20 HD2 PHE 20 -2.491 -3.507 3.106
131 HE1 PHE 20 HE1 PHE 20 0.835 -0.892 0.597
132 HE2 PHE 20 HE2 PHE 20 -1.577 -1.436 4.069
133 HZ PHE 20 HZ PHE 20 0.087 -0.125 2.814
134 H SER 21 H SER 21 -1.645 -7.834 2.181
135 HA SER 21 HA SER 21 -1.846 -9.902 0.430
136 HB2 SER 21 1HB SER 21 -2.332 -9.796 2.991
137 HB3 SER 21 2HB SER 21 -4.006 -9.555 2.490
138 HG SER 21 HG SER 21 -4.019 -11.655 2.378
139 H PHE 22 H PHE 22 -4.346 -7.474 1.080
140 HA PHE 22 HA PHE 22 -5.679 -8.311 -1.409
141 HB2 PHE 22 1HB PHE 22 -7.146 -7.182 0.971
142 HB3 PHE 22 2HB PHE 22 -7.824 -7.975 -0.447
143 HD1 PHE 22 HD2 PHE 22 -7.089 -10.457 -0.801
144 HD2 PHE 22 HD1 PHE 22 -6.875 -8.386 2.912
145 HE1 PHE 22 HE2 PHE 22 -7.070 -12.608 0.394
146 HE2 PHE 22 HE1 PHE 22 -6.855 -10.534 4.112
147 HZ PHE 22 HZ PHE 22 -6.954 -12.648 2.853
148 H HIS 23 H HIS 23 -6.077 -6.744 -2.851
149 HA HIS 23 HA HIS 23 -4.874 -4.268 -2.755
150 HB2 HIS 23 1HB HIS 23 -5.856 -5.450 -4.778
151 HB3 HIS 23 2HB HIS 23 -7.421 -4.811 -4.283
152 HD2 HIS 23 HD2 HIS 23 -6.471 -1.732 -3.612
153 HE1 HIS 23 HE1 HIS 23 -5.114 -1.748 -7.632
154 HE2 HIS 23 HE2 HIS 23 -5.653 -0.327 -5.624
155 H SER 24 H SER 24 -8.295 -5.011 -2.103
156 HA SER 24 HA SER 24 -9.402 -2.617 -1.634
157 HB2 SER 24 1HB SER 24 -9.663 -4.962 0.265
158 HB3 SER 24 2HB SER 24 -10.815 -3.639 0.084
159 HG SER 24 HG SER 24 -10.681 -5.897 -1.301
160 H GLN 25 H GLN 25 -7.272 -4.296 0.653
161 HA GLN 25 HA GLN 25 -7.407 -2.357 2.695
162 HB2 GLN 25 1HB GLN 25 -5.425 -4.513 2.017
163 HB3 GLN 25 2HB GLN 25 -5.144 -3.411 3.359
164 HG2 GLN 25 1HG GLN 25 -7.588 -4.156 4.019
165 HG3 GLN 25 2HG GLN 25 -7.155 -5.571 3.062
166 HE21 GLN 25 1HE2 GLN 25 -6.154 -3.576 5.784
167 HE22 GLN 25 2HE2 GLN 25 -5.308 -4.826 6.625
168 H LEU 26 H LEU 26 -4.931 -2.918 0.194
169 HA LEU 26 HA LEU 26 -3.118 -0.987 0.723
170 HB2 LEU 26 1HB LEU 26 -2.699 -2.315 -1.143
171 HB3 LEU 26 2HB LEU 26 -4.255 -1.935 -1.879
172 HG LEU 26 HG LEU 26 -3.454 0.320 -2.401
173 HD11 LEU 26 1HD1 LEU 26 -0.645 -0.132 -1.982
174 HD12 LEU 26 2HD1 LEU 26 -1.526 -0.229 -0.457
175 HD13 LEU 26 3HD1 LEU 26 -1.656 1.216 -1.460
176 HD21 LEU 26 3HD2 LEU 26 -3.158 -1.544 -4.001
177 HD22 LEU 26 1HD2 LEU 26 -1.537 -1.803 -3.354
178 HD23 LEU 26 2HD2 LEU 26 -1.930 -0.287 -4.166
179 H VAL 27 H VAL 27 -5.851 -0.370 -1.488
180 HA VAL 27 HA VAL 27 -5.653 2.290 -1.873
181 HB VAL 27 HB VAL 27 -8.291 0.994 -1.187
182 HG11 VAL 27 1HG1 VAL 27 -9.292 2.801 -2.057
183 HG12 VAL 27 2HG1 VAL 27 -7.739 3.599 -1.799
184 HG13 VAL 27 3HG1 VAL 27 -8.133 2.923 -3.380
185 HG21 VAL 27 3HG2 VAL 27 -8.035 -0.370 -2.921
186 HG22 VAL 27 1HG2 VAL 27 -7.863 1.031 -3.979
187 HG23 VAL 27 2HG2 VAL 27 -6.436 0.302 -3.242
188 H ILE 28 H ILE 28 -6.955 0.743 1.028
189 HA ILE 28 HA ILE 28 -7.798 3.107 2.320
190 HB ILE 28 HB ILE 28 -6.914 0.518 3.600
191 HG12 ILE 28 1HG1 ILE 28 -9.748 1.331 2.986
192 HG13 ILE 28 2HG1 ILE 28 -8.774 0.446 1.817
193 HG21 ILE 28 1HG2 ILE 28 -8.382 2.925 4.605
194 HG22 ILE 28 2HG2 ILE 28 -8.638 1.342 5.338
195 HG23 ILE 28 3HG2 ILE 28 -7.027 2.061 5.331
196 HD11 ILE 28 3HD1 ILE 28 -8.436 -1.058 4.051
197 HD12 ILE 28 1HD1 ILE 28 -10.087 -0.474 4.259
198 HD13 ILE 28 2HD1 ILE 28 -9.641 -1.359 2.800
199 H HIS 29 H HIS 29 -4.760 1.292 2.415
200 HA HIS 29 HA HIS 29 -3.500 2.770 4.439
201 HB2 HIS 29 1HB HIS 29 -2.460 0.744 3.879
202 HB3 HIS 29 2HB HIS 29 -2.477 1.105 2.155
203 HD1 HIS 29 HD1 HIS 29 -0.442 1.478 5.207
204 HD2 HIS 29 HD2 HIS 29 -0.453 2.954 1.323
205 HE1 HIS 29 HE1 HIS 29 1.833 2.494 4.867
206 H GLN 30 H GLN 30 -3.190 3.082 0.899
207 HA GLN 30 HA GLN 30 -1.477 5.114 0.589
208 HB2 GLN 30 1HB GLN 30 -4.157 4.817 -0.770
209 HB3 GLN 30 2HB GLN 30 -2.913 5.939 -1.304
210 HG2 GLN 30 1HG GLN 30 -1.380 4.028 -1.621
211 HG3 GLN 30 2HG GLN 30 -2.699 2.940 -1.192
212 HE21 GLN 30 1HE2 GLN 30 -2.592 1.941 -3.213
213 HE22 GLN 30 2HE2 GLN 30 -3.201 2.701 -4.639
214 H ARG 31 H ARG 31 -4.633 5.365 2.043
215 HA ARG 31 HA ARG 31 -5.065 8.105 1.935
216 HB2 ARG 31 1HB ARG 31 -5.749 6.189 4.172
217 HB3 ARG 31 2HB ARG 31 -6.431 7.797 3.974
218 HG2 ARG 31 1HG ARG 31 -7.496 7.150 1.918
219 HG3 ARG 31 2HG ARG 31 -6.709 5.571 1.969
220 HD2 ARG 31 1HD ARG 31 -7.951 4.930 3.898
221 HD3 ARG 31 2HD ARG 31 -8.567 6.567 4.118
222 HE ARG 31 HE ARG 31 -9.576 4.558 2.324
223 HH11 ARG 31 1HH1 ARG 31 -9.364 7.970 2.987
224 HH12 ARG 31 2HH1 ARG 31 -10.791 8.365 2.087
225 HH21 ARG 31 1HH2 ARG 31 -11.456 5.067 1.137
226 HH22 ARG 31 2HH2 ARG 31 -11.981 6.714 1.036
227 H ILE 32 H ILE 32 -3.550 6.283 4.604
228 HA ILE 32 HA ILE 32 -2.845 8.167 6.355
229 HB ILE 32 HB ILE 32 -0.968 6.912 7.016
230 HG12 ILE 32 1HG1 ILE 32 -0.859 5.828 4.193
231 HG13 ILE 32 2HG1 ILE 32 0.269 6.975 4.909
232 HG21 ILE 32 1HG2 ILE 32 -1.771 4.675 7.078
233 HG22 ILE 32 2HG2 ILE 32 -3.183 5.730 7.057
234 HG23 ILE 32 3HG2 ILE 32 -2.685 4.895 5.586
235 HD11 ILE 32 3HD1 ILE 32 -0.150 4.143 5.835
236 HD12 ILE 32 1HD1 ILE 32 1.172 4.703 4.810
237 HD13 ILE 32 2HD1 ILE 32 1.030 5.290 6.468
238 H HIS 33 H HIS 33 -1.445 7.805 3.161
239 HA HIS 33 HA HIS 33 0.591 9.798 3.601
240 HB2 HIS 33 1HB HIS 33 -0.361 8.537 1.020
241 HB3 HIS 33 2HB HIS 33 1.100 9.500 1.222
242 HD1 HIS 33 HD1 HIS 33 2.576 8.331 3.444
243 HD2 HIS 33 HD2 HIS 33 0.339 5.943 0.884
244 HE1 HIS 33 HE1 HIS 33 3.538 6.018 3.670
245 H THR 34 H THR 34 -2.202 9.625 1.384
246 HA THR 34 HA THR 34 -2.137 12.400 0.781
247 HB THR 34 HB THR 34 -4.360 12.021 -0.256
248 HG1 THR 34 HG1 THR 34 -5.478 10.407 0.521
249 HG21 THR 34 3HG2 THR 34 -2.290 9.919 -0.907
250 HG22 THR 34 1HG2 THR 34 -2.324 11.567 -1.533
251 HG23 THR 34 2HG2 THR 34 -3.603 10.432 -1.966
252 H GLY 35 H GLY 35 -2.450 13.856 2.359
253 HA2 GLY 35 1HA GLY 35 -4.976 14.313 3.463
254 HA3 GLY 35 2HA GLY 35 -4.031 13.440 4.660
255 H GLU 36 H GLU 36 -1.648 14.423 4.749
256 HA GLU 36 HA GLU 36 -1.878 16.916 5.976
257 HB2 GLU 36 1HB GLU 36 0.489 16.903 6.178
258 HB3 GLU 36 2HB GLU 36 -0.027 15.226 6.283
259 HG2 GLU 36 1HG GLU 36 0.645 14.822 4.012
260 HG3 GLU 36 2HG GLU 36 1.026 16.528 3.783
261 H ASN 37 H ASN 37 -1.782 18.969 5.284
262 HA ASN 37 HA ASN 37 -1.639 19.423 2.410
263 HB2 ASN 37 1HB ASN 37 -3.376 20.410 4.154
264 HB3 ASN 37 2HB ASN 37 -2.128 21.637 4.354
265 HD21 ASN 37 1HD2 ASN 37 -4.342 20.142 2.106
266 HD22 ASN 37 2HD2 ASN 37 -4.331 21.422 0.945
267 HA PRO 38 HA PRO 38 2.501 20.927 2.499
268 HB2 PRO 38 1HB PRO 38 2.453 22.398 0.218
269 HB3 PRO 38 2HB PRO 38 2.493 20.631 0.220
270 HG2 PRO 38 1HG PRO 38 0.160 22.473 -0.142
271 HG3 PRO 38 2HG PRO 38 0.564 20.992 -1.029
272 HD2 PRO 38 1HD PRO 38 -1.289 21.048 0.944
273 HD3 PRO 38 2HD PRO 38 -0.282 19.623 0.621
274 H SER 39 H SER 39 3.727 22.870 2.732
275 HA SER 39 HA SER 39 2.685 24.785 4.400
276 HB2 SER 39 1HB SER 39 4.661 26.157 3.849
277 HB3 SER 39 2HB SER 39 5.094 24.463 4.079
278 HG SER 39 HG SER 39 4.650 24.524 1.595
279 H GLY 40 H GLY 40 1.246 26.353 4.145
280 HA2 GLY 40 1HA GLY 40 1.243 28.290 2.162
281 HA3 GLY 40 2HA GLY 40 0.165 27.020 1.601
282 HA PRO 41 HA PRO 41 -2.261 30.006 4.212
283 HB2 PRO 41 1HB PRO 41 -4.281 30.306 2.424
284 HB3 PRO 41 2HB PRO 41 -2.816 31.294 2.392
285 HG2 PRO 41 1HG PRO 41 -3.520 28.896 0.744
286 HG3 PRO 41 2HG PRO 41 -2.760 30.417 0.239
287 HD2 PRO 41 1HD PRO 41 -1.340 28.153 0.674
288 HD3 PRO 41 2HD PRO 41 -0.677 29.770 0.985
289 H SER 42 H SER 42 -2.673 28.256 5.637
290 HA SER 42 HA SER 42 -5.257 26.971 5.156
291 HB2 SER 42 1HB SER 42 -2.651 25.580 5.548
292 HB3 SER 42 2HB SER 42 -4.066 24.898 6.350
293 HG SER 42 HG SER 42 -3.839 24.015 4.283
294 H SER 43 H SER 43 -5.963 25.788 7.241
295 HA SER 43 HA SER 43 -6.068 27.706 9.315
296 HB2 SER 43 1HB SER 43 -7.292 25.960 10.576
297 HB3 SER 43 2HB SER 43 -7.905 26.143 8.932
298 HG SER 43 HG SER 43 -7.303 23.923 9.940
299 H GLY 44 H GLY 44 -4.436 24.549 9.087
300 HA2 GLY 44 1HA GLY 44 -2.166 25.369 10.530
301 HA3 GLY 44 2HA GLY 44 -3.274 24.579 11.641
Start of MODEL 9
1 H1 GLY 1 H GLY 1 19.057 -11.891 -18.301
2 HA2 GLY 1 1HA GLY 1 18.819 -14.313 -16.807
3 HA3 GLY 1 2HA GLY 1 18.196 -12.738 -16.339
4 H SER 2 H SER 2 17.448 -15.818 -17.613
5 HA SER 2 HA SER 2 15.113 -15.472 -19.006
6 HB2 SER 2 1HB SER 2 16.131 -17.667 -18.698
7 HB3 SER 2 2HB SER 2 15.739 -17.633 -16.979
8 HG SER 2 HG SER 2 13.695 -18.055 -17.417
9 H SER 3 H SER 3 15.302 -16.032 -15.486
10 HA SER 3 HA SER 3 13.418 -14.044 -14.828
11 HB2 SER 3 1HB SER 3 11.461 -15.337 -14.305
12 HB3 SER 3 2HB SER 3 11.903 -15.702 -15.973
13 HG SER 3 HG SER 3 11.582 -17.655 -15.076
14 H GLY 4 H GLY 4 12.605 -14.354 -12.505
15 HA2 GLY 4 1HA GLY 4 14.082 -16.167 -10.834
16 HA3 GLY 4 2HA GLY 4 14.688 -14.520 -10.746
17 H SER 5 H SER 5 11.389 -15.833 -10.986
18 HA SER 5 HA SER 5 10.779 -14.942 -8.296
19 HB2 SER 5 1HB SER 5 10.474 -13.010 -10.072
20 HB3 SER 5 2HB SER 5 8.973 -13.866 -10.425
21 HG SER 5 HG SER 5 9.610 -12.294 -8.304
22 H SER 6 H SER 6 8.637 -15.615 -7.589
23 HA SER 6 HA SER 6 7.574 -17.849 -9.191
24 HB2 SER 6 1HB SER 6 7.905 -17.670 -6.188
25 HB3 SER 6 2HB SER 6 7.007 -18.947 -7.009
26 HG SER 6 HG SER 6 9.540 -18.957 -6.496
27 H GLY 7 H GLY 7 6.590 -15.259 -9.452
28 HA2 GLY 7 1HA GLY 7 4.161 -14.945 -9.776
29 HA3 GLY 7 2HA GLY 7 3.961 -15.503 -8.121
30 H GLU 8 H GLU 8 4.340 -14.105 -6.418
31 HA GLU 8 HA GLU 8 4.248 -12.078 -5.376
32 HB2 GLU 8 1HB GLU 8 6.687 -12.297 -6.038
33 HB3 GLU 8 2HB GLU 8 6.326 -11.238 -7.395
34 HG2 GLU 8 1HG GLU 8 5.449 -9.595 -5.652
35 HG3 GLU 8 2HG GLU 8 6.269 -10.609 -4.467
36 H LYS 9 H LYS 9 2.271 -12.396 -7.309
37 HA LYS 9 HA LYS 9 2.141 -9.883 -8.786
38 HB2 LYS 9 1HB LYS 9 1.472 -12.138 -9.771
39 HB3 LYS 9 2HB LYS 9 0.057 -12.063 -8.729
40 HG2 LYS 9 1HG LYS 9 -0.678 -10.030 -9.817
41 HG3 LYS 9 2HG LYS 9 0.778 -10.013 -10.815
42 HD2 LYS 9 1HD LYS 9 -0.772 -10.961 -12.244
43 HD3 LYS 9 2HD LYS 9 -0.012 -12.387 -11.534
44 HE2 LYS 9 1HE LYS 9 -2.450 -11.198 -10.274
45 HE3 LYS 9 2HE LYS 9 -2.606 -12.241 -11.687
46 HZ1 LYS 9 3HZ LYS 9 -0.909 -13.585 -10.014
47 HZ2 LYS 9 1HZ LYS 9 -2.546 -13.929 -10.268
48 HZ3 LYS 9 2HZ LYS 9 -2.079 -12.943 -8.975
49 H LEU 10 H LEU 10 2.120 -9.496 -6.057
50 HA LEU 10 HA LEU 10 -0.681 -9.031 -5.338
51 HB2 LEU 10 1HB LEU 10 1.825 -8.785 -3.680
52 HB3 LEU 10 2HB LEU 10 0.178 -8.566 -3.091
53 HG LEU 10 HG LEU 10 1.236 -11.158 -4.211
54 HD11 LEU 10 1HD1 LEU 10 1.577 -9.929 -1.595
55 HD12 LEU 10 2HD1 LEU 10 2.385 -11.324 -2.308
56 HD13 LEU 10 3HD1 LEU 10 0.820 -11.520 -1.521
57 HD21 LEU 10 3HD2 LEU 10 -1.284 -10.568 -4.169
58 HD22 LEU 10 1HD2 LEU 10 -1.141 -10.806 -2.427
59 HD23 LEU 10 2HD2 LEU 10 -0.757 -12.126 -3.531
60 H HIS 11 H HIS 11 -1.396 -6.981 -4.609
61 HA HIS 11 HA HIS 11 -0.294 -4.793 -6.086
62 HB2 HIS 11 1HB HIS 11 -2.614 -5.129 -4.215
63 HB3 HIS 11 2HB HIS 11 -2.095 -3.514 -4.689
64 HD2 HIS 11 HD2 HIS 11 -3.906 -6.604 -6.199
65 HE1 HIS 11 HE1 HIS 11 -3.925 -3.503 -9.094
66 HE2 HIS 11 HE2 HIS 11 -4.859 -5.751 -8.447
67 H GLU 12 H GLU 12 0.556 -2.844 -5.259
68 HA GLU 12 HA GLU 12 1.362 -2.815 -2.451
69 HB2 GLU 12 1HB GLU 12 3.662 -2.530 -2.872
70 HB3 GLU 12 2HB GLU 12 3.177 -3.878 -3.891
71 HG2 GLU 12 1HG GLU 12 3.007 -2.318 -5.801
72 HG3 GLU 12 2HG GLU 12 3.619 -1.032 -4.762
73 H CYS 13 H CYS 13 2.242 -0.698 -1.788
74 HA CYS 13 HA CYS 13 0.609 1.413 -2.768
75 HB2 CYS 13 1HB CYS 13 1.607 1.032 -0.389
76 HB3 CYS 13 2HB CYS 13 3.014 1.873 -1.033
77 H SER 14 H SER 14 1.701 3.634 -3.192
78 HA SER 14 HA SER 14 3.733 3.213 -5.280
79 HB2 SER 14 1HB SER 14 1.519 5.243 -5.010
80 HB3 SER 14 2HB SER 14 2.861 5.471 -6.131
81 HG SER 14 HG SER 14 1.237 4.452 -7.244
82 H GLU 15 H GLU 15 2.883 5.061 -2.442
83 HA GLU 15 HA GLU 15 5.186 6.807 -2.690
84 HB2 GLU 15 1HB GLU 15 2.850 6.604 -0.853
85 HB3 GLU 15 2HB GLU 15 4.302 7.389 -0.249
86 HG2 GLU 15 1HG GLU 15 2.663 8.178 -2.642
87 HG3 GLU 15 2HG GLU 15 2.848 9.060 -1.127
88 H CYS 16 H CYS 16 4.063 4.252 -0.489
89 HA CYS 16 HA CYS 16 6.735 4.125 0.702
90 HB2 CYS 16 1HB CYS 16 5.738 2.827 2.469
91 HB3 CYS 16 2HB CYS 16 4.727 4.240 2.185
92 H ARG 17 H ARG 17 4.746 2.531 -1.562
93 HA ARG 17 HA ARG 17 5.004 0.652 -2.818
94 HB2 ARG 17 1HB ARG 17 7.845 0.815 -1.796
95 HB3 ARG 17 2HB ARG 17 7.303 -0.216 -3.114
96 HG2 ARG 17 1HG ARG 17 7.056 2.781 -3.134
97 HG3 ARG 17 2HG ARG 17 8.425 1.901 -3.815
98 HD2 ARG 17 1HD ARG 17 5.644 1.188 -4.637
99 HD3 ARG 17 2HD ARG 17 6.424 2.606 -5.337
100 HE ARG 17 HE ARG 17 7.005 -0.141 -5.905
101 HH11 ARG 17 1HH1 ARG 17 8.325 3.079 -5.816
102 HH12 ARG 17 2HH1 ARG 17 9.553 2.749 -6.993
103 HH21 ARG 17 1HH2 ARG 17 8.617 -0.588 -7.456
104 HH22 ARG 17 2HH2 ARG 17 9.717 0.663 -7.926
105 H LYS 18 H LYS 18 3.930 0.307 -0.266
106 HA LYS 18 HA LYS 18 5.156 -2.118 0.805
107 HB2 LYS 18 1HB LYS 18 4.316 -0.187 2.259
108 HB3 LYS 18 2HB LYS 18 2.694 -0.738 1.859
109 HG2 LYS 18 1HG LYS 18 3.243 -2.945 2.815
110 HG3 LYS 18 2HG LYS 18 4.824 -2.318 3.285
111 HD2 LYS 18 1HD LYS 18 3.894 -0.834 4.845
112 HD3 LYS 18 2HD LYS 18 2.279 -0.977 4.149
113 HE2 LYS 18 1HE LYS 18 3.758 -3.204 5.547
114 HE3 LYS 18 2HE LYS 18 2.539 -2.179 6.303
115 HZ1 LYS 18 3HZ LYS 18 2.213 -4.349 4.395
116 HZ2 LYS 18 1HZ LYS 18 1.197 -3.014 4.179
117 HZ3 LYS 18 2HZ LYS 18 1.195 -3.847 5.650
118 H THR 19 H THR 19 4.285 -4.114 0.634
119 HA THR 19 HA THR 19 2.172 -4.490 -1.298
120 HB THR 19 HB THR 19 2.613 -6.883 -1.050
121 HG1 THR 19 HG1 THR 19 4.724 -6.386 0.732
122 HG21 THR 19 3HG2 THR 19 4.047 -5.870 -2.612
123 HG22 THR 19 1HG2 THR 19 5.118 -6.815 -1.578
124 HG23 THR 19 2HG2 THR 19 4.991 -5.070 -1.356
125 H PHE 20 H PHE 20 0.294 -5.825 -0.901
126 HA PHE 20 HA PHE 20 -0.540 -6.058 1.891
127 HB2 PHE 20 1HB PHE 20 -2.115 -4.596 -0.238
128 HB3 PHE 20 2HB PHE 20 -2.759 -5.057 1.334
129 HD1 PHE 20 HD1 PHE 20 -0.080 -3.059 -0.281
130 HD2 PHE 20 HD2 PHE 20 -2.495 -3.659 3.173
131 HE1 PHE 20 HE1 PHE 20 0.773 -0.959 0.676
132 HE2 PHE 20 HE2 PHE 20 -1.647 -1.559 4.135
133 HZ PHE 20 HZ PHE 20 -0.011 -0.206 2.886
134 H SER 21 H SER 21 -2.124 -7.626 2.271
135 HA SER 21 HA SER 21 -2.079 -9.854 0.554
136 HB2 SER 21 1HB SER 21 -2.516 -9.824 3.070
137 HB3 SER 21 2HB SER 21 -4.173 -9.366 2.674
138 HG SER 21 HG SER 21 -3.451 -11.744 2.894
139 H PHE 22 H PHE 22 -4.562 -7.396 1.150
140 HA PHE 22 HA PHE 22 -5.895 -8.270 -1.327
141 HB2 PHE 22 1HB PHE 22 -7.373 -7.059 1.003
142 HB3 PHE 22 2HB PHE 22 -8.036 -7.919 -0.383
143 HD1 PHE 22 HD2 PHE 22 -7.593 -10.395 -0.587
144 HD2 PHE 22 HD1 PHE 22 -6.807 -8.190 2.968
145 HE1 PHE 22 HE2 PHE 22 -7.578 -12.489 0.705
146 HE2 PHE 22 HE1 PHE 22 -6.789 -10.280 4.265
147 HZ PHE 22 HZ PHE 22 -7.176 -12.433 3.135
148 H HIS 23 H HIS 23 -6.541 -6.697 -2.733
149 HA HIS 23 HA HIS 23 -5.214 -4.268 -2.800
150 HB2 HIS 23 1HB HIS 23 -6.286 -5.330 -4.760
151 HB3 HIS 23 2HB HIS 23 -7.867 -4.919 -4.103
152 HD2 HIS 23 HD2 HIS 23 -5.917 -1.867 -3.440
153 HE1 HIS 23 HE1 HIS 23 -7.273 -1.389 -7.432
154 HE2 HIS 23 HE2 HIS 23 -6.187 -0.267 -5.455
155 H SER 24 H SER 24 -8.633 -4.820 -1.948
156 HA SER 24 HA SER 24 -9.580 -2.392 -1.395
157 HB2 SER 24 1HB SER 24 -9.810 -4.817 0.399
158 HB3 SER 24 2HB SER 24 -10.803 -3.370 0.572
159 HG SER 24 HG SER 24 -12.017 -4.558 -0.735
160 H GLN 25 H GLN 25 -7.331 -4.136 0.714
161 HA GLN 25 HA GLN 25 -7.243 -2.225 2.777
162 HB2 GLN 25 1HB GLN 25 -5.361 -4.392 1.886
163 HB3 GLN 25 2HB GLN 25 -4.937 -3.311 3.207
164 HG2 GLN 25 1HG GLN 25 -7.114 -3.995 4.292
165 HG3 GLN 25 2HG GLN 25 -7.215 -5.260 3.067
166 HE21 GLN 25 1HE2 GLN 25 -6.770 -5.168 6.081
167 HE22 GLN 25 2HE2 GLN 25 -5.417 -6.214 6.326
168 H LEU 26 H LEU 26 -4.800 -2.851 0.250
169 HA LEU 26 HA LEU 26 -3.048 -0.853 0.631
170 HB2 LEU 26 1HB LEU 26 -2.610 -2.228 -1.184
171 HB3 LEU 26 2HB LEU 26 -4.203 -1.966 -1.892
172 HG LEU 26 HG LEU 26 -3.526 0.304 -2.543
173 HD11 LEU 26 1HD1 LEU 26 -1.555 1.272 -2.001
174 HD12 LEU 26 2HD1 LEU 26 -0.676 -0.256 -1.996
175 HD13 LEU 26 3HD1 LEU 26 -1.679 0.189 -0.615
176 HD21 LEU 26 3HD2 LEU 26 -1.358 -1.442 -3.587
177 HD22 LEU 26 1HD2 LEU 26 -2.460 -0.368 -4.448
178 HD23 LEU 26 2HD2 LEU 26 -3.031 -1.930 -3.858
179 H VAL 27 H VAL 27 -5.865 -0.396 -1.516
180 HA VAL 27 HA VAL 27 -5.708 2.262 -2.018
181 HB VAL 27 HB VAL 27 -8.333 0.989 -1.262
182 HG11 VAL 27 1HG1 VAL 27 -8.291 2.638 -3.627
183 HG12 VAL 27 2HG1 VAL 27 -9.271 2.791 -2.168
184 HG13 VAL 27 3HG1 VAL 27 -7.665 3.516 -2.232
185 HG21 VAL 27 3HG2 VAL 27 -6.467 0.252 -3.370
186 HG22 VAL 27 1HG2 VAL 27 -7.896 -0.593 -2.776
187 HG23 VAL 27 2HG2 VAL 27 -8.063 0.679 -3.987
188 H ILE 28 H ILE 28 -6.972 0.782 0.936
189 HA ILE 28 HA ILE 28 -7.818 3.207 2.142
190 HB ILE 28 HB ILE 28 -7.052 0.613 3.487
191 HG12 ILE 28 1HG1 ILE 28 -9.850 1.520 2.860
192 HG13 ILE 28 2HG1 ILE 28 -8.905 0.626 1.674
193 HG21 ILE 28 1HG2 ILE 28 -8.516 3.057 4.438
194 HG22 ILE 28 2HG2 ILE 28 -8.685 1.491 5.230
195 HG23 ILE 28 3HG2 ILE 28 -7.106 2.272 5.150
196 HD11 ILE 28 3HD1 ILE 28 -9.807 -1.174 2.628
197 HD12 ILE 28 1HD1 ILE 28 -8.606 -0.917 3.893
198 HD13 ILE 28 2HD1 ILE 28 -10.246 -0.298 4.094
199 H HIS 29 H HIS 29 -4.824 1.337 2.282
200 HA HIS 29 HA HIS 29 -3.564 2.794 4.328
201 HB2 HIS 29 1HB HIS 29 -2.536 0.761 3.823
202 HB3 HIS 29 2HB HIS 29 -2.573 1.060 2.088
203 HD1 HIS 29 HD1 HIS 29 -0.494 1.533 5.101
204 HD2 HIS 29 HD2 HIS 29 -0.523 2.818 1.151
205 HE1 HIS 29 HE1 HIS 29 1.794 2.491 4.689
206 H GLN 30 H GLN 30 -3.248 3.090 0.789
207 HA GLN 30 HA GLN 30 -1.467 5.077 0.490
208 HB2 GLN 30 1HB GLN 30 -4.136 4.848 -0.906
209 HB3 GLN 30 2HB GLN 30 -2.837 5.907 -1.438
210 HG2 GLN 30 1HG GLN 30 -1.407 4.036 -1.874
211 HG3 GLN 30 2HG GLN 30 -2.578 2.923 -1.169
212 HE21 GLN 30 1HE2 GLN 30 -1.427 2.911 -3.826
213 HE22 GLN 30 2HE2 GLN 30 -2.748 3.026 -4.933
214 H ARG 31 H ARG 31 -4.589 5.381 1.972
215 HA ARG 31 HA ARG 31 -4.983 8.138 1.815
216 HB2 ARG 31 1HB ARG 31 -5.727 6.270 4.075
217 HB3 ARG 31 2HB ARG 31 -6.397 7.875 3.813
218 HG2 ARG 31 1HG ARG 31 -7.424 7.168 1.757
219 HG3 ARG 31 2HG ARG 31 -6.645 5.589 1.871
220 HD2 ARG 31 1HD ARG 31 -7.933 4.996 3.774
221 HD3 ARG 31 2HD ARG 31 -8.524 6.645 3.969
222 HE ARG 31 HE ARG 31 -9.228 5.364 1.472
223 HH11 ARG 31 1HH1 ARG 31 -10.154 6.063 4.755
224 HH12 ARG 31 2HH1 ARG 31 -11.846 5.827 4.466
225 HH21 ARG 31 1HH2 ARG 31 -11.453 5.051 1.079
226 HH22 ARG 31 2HH2 ARG 31 -12.584 5.250 2.375
227 H ILE 32 H ILE 32 -3.538 6.296 4.510
228 HA ILE 32 HA ILE 32 -2.814 8.165 6.265
229 HB ILE 32 HB ILE 32 -0.972 6.877 6.946
230 HG12 ILE 32 1HG1 ILE 32 -0.827 5.717 4.156
231 HG13 ILE 32 2HG1 ILE 32 0.239 6.970 4.781
232 HG21 ILE 32 1HG2 ILE 32 -1.797 4.646 6.972
233 HG22 ILE 32 2HG2 ILE 32 -3.196 5.718 6.943
234 HG23 ILE 32 3HG2 ILE 32 -2.687 4.893 5.470
235 HD11 ILE 32 3HD1 ILE 32 1.516 5.093 5.064
236 HD12 ILE 32 1HD1 ILE 32 0.736 5.214 6.640
237 HD13 ILE 32 2HD1 ILE 32 0.129 4.072 5.441
238 H HIS 33 H HIS 33 -1.354 7.760 3.096
239 HA HIS 33 HA HIS 33 0.741 9.660 3.523
240 HB2 HIS 33 1HB HIS 33 -0.402 8.456 0.997
241 HB3 HIS 33 2HB HIS 33 1.000 9.521 1.029
242 HD1 HIS 33 HD1 HIS 33 2.928 8.531 2.853
243 HD2 HIS 33 HD2 HIS 33 0.330 5.865 1.006
244 HE1 HIS 33 HE1 HIS 33 4.038 6.281 3.027
245 H THR 34 H THR 34 -2.317 9.749 1.700
246 HA THR 34 HA THR 34 -2.058 12.606 1.280
247 HB THR 34 HB THR 34 -4.187 12.424 0.059
248 HG1 THR 34 HG1 THR 34 -5.134 10.733 1.286
249 HG21 THR 34 3HG2 THR 34 -2.150 10.313 -0.658
250 HG22 THR 34 1HG2 THR 34 -2.140 12.000 -1.170
251 HG23 THR 34 2HG2 THR 34 -3.406 10.913 -1.740
252 H GLY 35 H GLY 35 -2.212 13.523 3.326
253 HA2 GLY 35 1HA GLY 35 -4.737 13.065 4.776
254 HA3 GLY 35 2HA GLY 35 -3.259 13.685 5.496
255 H GLU 36 H GLU 36 -2.484 15.779 4.228
256 HA GLU 36 HA GLU 36 -2.848 17.982 3.787
257 HB2 GLU 36 1HB GLU 36 -4.275 17.023 1.953
258 HB3 GLU 36 2HB GLU 36 -5.657 17.170 3.030
259 HG2 GLU 36 1HG GLU 36 -5.603 19.496 2.985
260 HG3 GLU 36 2HG GLU 36 -3.948 19.538 2.380
261 H ASN 37 H ASN 37 -3.081 17.171 6.409
262 HA ASN 37 HA ASN 37 -5.476 18.096 7.641
263 HB2 ASN 37 1HB ASN 37 -3.996 16.457 8.725
264 HB3 ASN 37 2HB ASN 37 -2.726 17.672 8.834
265 HD21 ASN 37 1HD2 ASN 37 -4.832 16.107 10.640
266 HD22 ASN 37 2HD2 ASN 37 -5.222 17.308 11.819
267 HA PRO 38 HA PRO 38 -4.763 22.443 7.606
268 HB2 PRO 38 1HB PRO 38 -6.395 23.143 9.660
269 HB3 PRO 38 2HB PRO 38 -7.002 22.657 8.072
270 HG2 PRO 38 1HG PRO 38 -6.767 21.046 10.584
271 HG3 PRO 38 2HG PRO 38 -8.100 21.110 9.417
272 HD2 PRO 38 1HD PRO 38 -6.279 19.106 9.439
273 HD3 PRO 38 2HD PRO 38 -7.048 19.681 7.946
274 H SER 39 H SER 39 -4.075 24.221 9.055
275 HA SER 39 HA SER 39 -2.412 25.051 10.389
276 HB2 SER 39 1HB SER 39 -4.053 23.294 12.187
277 HB3 SER 39 2HB SER 39 -2.635 24.126 12.825
278 HG SER 39 HG SER 39 -4.530 25.567 11.338
279 H GLY 40 H GLY 40 -1.414 23.081 8.750
280 HA2 GLY 40 1HA GLY 40 0.753 22.052 10.422
281 HA3 GLY 40 2HA GLY 40 -0.167 20.877 9.493
282 HA PRO 41 HA PRO 41 3.210 23.219 6.970
283 HB2 PRO 41 1HB PRO 41 5.406 21.701 7.463
284 HB3 PRO 41 2HB PRO 41 5.002 23.140 8.406
285 HG2 PRO 41 1HG PRO 41 4.524 20.256 9.052
286 HG3 PRO 41 2HG PRO 41 5.107 21.557 10.106
287 HD2 PRO 41 1HD PRO 41 2.539 20.700 10.133
288 HD3 PRO 41 2HD PRO 41 2.987 22.385 10.467
289 H SER 42 H SER 42 1.960 22.324 5.275
290 HA SER 42 HA SER 42 2.752 19.615 4.433
291 HB2 SER 42 1HB SER 42 0.295 20.072 4.892
292 HB3 SER 42 2HB SER 42 0.318 21.132 3.483
293 HG SER 42 HG SER 42 -0.021 19.376 2.391
294 H SER 43 H SER 43 4.675 20.365 3.432
295 HA SER 43 HA SER 43 4.478 22.283 1.270
296 HB2 SER 43 1HB SER 43 6.807 20.647 2.299
297 HB3 SER 43 2HB SER 43 6.923 21.849 1.014
298 HG SER 43 HG SER 43 5.790 23.180 2.838
299 H GLY 44 H GLY 44 5.687 18.927 1.496
300 HA2 GLY 44 1HA GLY 44 4.295 18.239 -0.956
301 HA3 GLY 44 2HA GLY 44 6.048 18.245 -1.073
Start of MODEL 10
1 H1 GLY 1 H GLY 1 23.180 -16.466 -9.382
2 HA2 GLY 1 1HA GLY 1 23.821 -14.370 -7.658
3 HA3 GLY 1 2HA GLY 1 22.920 -13.676 -8.998
4 H SER 2 H SER 2 21.518 -13.159 -7.047
5 HA SER 2 HA SER 2 20.004 -15.264 -5.861
6 HB2 SER 2 1HB SER 2 19.812 -12.270 -5.883
7 HB3 SER 2 2HB SER 2 18.475 -13.228 -5.245
8 HG SER 2 HG SER 2 21.138 -13.069 -4.323
9 H SER 3 H SER 3 17.806 -15.776 -6.180
10 HA SER 3 HA SER 3 16.621 -14.849 -8.704
11 HB2 SER 3 1HB SER 3 17.588 -16.972 -9.270
12 HB3 SER 3 2HB SER 3 16.942 -17.721 -7.810
13 HG SER 3 HG SER 3 15.493 -16.775 -10.057
14 H GLY 4 H GLY 4 14.501 -14.388 -8.589
15 HA2 GLY 4 1HA GLY 4 13.044 -15.276 -6.176
16 HA3 GLY 4 2HA GLY 4 12.921 -13.633 -6.788
17 H SER 5 H SER 5 11.084 -16.138 -6.471
18 HA SER 5 HA SER 5 10.148 -16.521 -9.180
19 HB2 SER 5 1HB SER 5 10.114 -18.366 -7.511
20 HB3 SER 5 2HB SER 5 8.918 -17.465 -6.579
21 HG SER 5 HG SER 5 8.584 -18.301 -9.272
22 H SER 6 H SER 6 7.940 -16.097 -9.832
23 HA SER 6 HA SER 6 6.569 -13.992 -8.327
24 HB2 SER 6 1HB SER 6 6.305 -12.597 -10.297
25 HB3 SER 6 2HB SER 6 8.022 -12.894 -10.027
26 HG SER 6 HG SER 6 7.514 -14.780 -11.566
27 H GLY 7 H GLY 7 4.343 -13.616 -9.106
28 HA2 GLY 7 1HA GLY 7 2.884 -14.940 -10.943
29 HA3 GLY 7 2HA GLY 7 3.082 -16.157 -9.691
30 H GLU 8 H GLU 8 2.844 -14.764 -7.386
31 HA GLU 8 HA GLU 8 0.127 -14.552 -6.985
32 HB2 GLU 8 1HB GLU 8 2.425 -13.287 -5.498
33 HB3 GLU 8 2HB GLU 8 0.760 -13.165 -4.945
34 HG2 GLU 8 1HG GLU 8 1.799 -14.939 -3.758
35 HG3 GLU 8 2HG GLU 8 0.659 -15.649 -4.900
36 H LYS 9 H LYS 9 -1.361 -12.894 -6.925
37 HA LYS 9 HA LYS 9 -0.627 -10.519 -8.476
38 HB2 LYS 9 1HB LYS 9 -2.578 -11.995 -9.144
39 HB3 LYS 9 2HB LYS 9 -3.404 -11.415 -7.704
40 HG2 LYS 9 1HG LYS 9 -3.529 -9.221 -8.524
41 HG3 LYS 9 2HG LYS 9 -2.334 -9.537 -9.784
42 HD2 LYS 9 1HD LYS 9 -4.974 -10.973 -9.686
43 HD3 LYS 9 2HD LYS 9 -4.781 -9.418 -10.499
44 HE2 LYS 9 1HE LYS 9 -2.874 -11.618 -11.133
45 HE3 LYS 9 2HE LYS 9 -4.504 -11.692 -11.802
46 HZ1 LYS 9 3HZ LYS 9 -3.360 -9.104 -12.121
47 HZ2 LYS 9 1HZ LYS 9 -3.999 -10.146 -13.290
48 HZ3 LYS 9 2HZ LYS 9 -2.380 -10.292 -12.823
49 H LEU 10 H LEU 10 0.501 -9.922 -6.334
50 HA LEU 10 HA LEU 10 -1.309 -8.824 -4.337
51 HB2 LEU 10 1HB LEU 10 1.697 -8.943 -4.498
52 HB3 LEU 10 2HB LEU 10 0.807 -8.206 -3.167
53 HG LEU 10 HG LEU 10 0.443 -11.094 -3.914
54 HD11 LEU 10 1HD1 LEU 10 2.673 -11.209 -3.428
55 HD12 LEU 10 2HD1 LEU 10 1.995 -11.343 -1.806
56 HD13 LEU 10 3HD1 LEU 10 2.631 -9.799 -2.370
57 HD21 LEU 10 3HD2 LEU 10 -0.270 -11.243 -1.554
58 HD22 LEU 10 1HD2 LEU 10 -1.277 -10.153 -2.506
59 HD23 LEU 10 2HD2 LEU 10 -0.064 -9.497 -1.406
60 H HIS 11 H HIS 11 -1.079 -6.595 -3.605
61 HA HIS 11 HA HIS 11 -0.309 -4.782 -5.798
62 HB2 HIS 11 1HB HIS 11 -2.727 -4.866 -4.066
63 HB3 HIS 11 2HB HIS 11 -2.096 -3.279 -4.493
64 HD2 HIS 11 HD2 HIS 11 -3.389 -6.480 -6.422
65 HE1 HIS 11 HE1 HIS 11 -3.968 -3.034 -8.828
66 HE2 HIS 11 HE2 HIS 11 -4.412 -5.501 -8.586
67 H GLU 12 H GLU 12 1.161 -3.274 -5.341
68 HA GLU 12 HA GLU 12 1.857 -2.844 -2.513
69 HB2 GLU 12 1HB GLU 12 4.090 -2.581 -3.103
70 HB3 GLU 12 2HB GLU 12 3.554 -3.853 -4.192
71 HG2 GLU 12 1HG GLU 12 3.233 -2.153 -5.956
72 HG3 GLU 12 2HG GLU 12 3.891 -0.939 -4.861
73 H CYS 13 H CYS 13 2.426 -0.723 -1.830
74 HA CYS 13 HA CYS 13 0.741 1.303 -2.876
75 HB2 CYS 13 1HB CYS 13 1.612 1.009 -0.467
76 HB3 CYS 13 2HB CYS 13 3.069 1.818 -1.037
77 H SER 14 H SER 14 1.648 3.550 -3.358
78 HA SER 14 HA SER 14 3.832 3.253 -5.310
79 HB2 SER 14 1HB SER 14 1.561 3.910 -6.181
80 HB3 SER 14 2HB SER 14 1.709 5.408 -5.262
81 HG SER 14 HG SER 14 2.813 4.731 -7.646
82 H GLU 15 H GLU 15 2.947 4.705 -2.374
83 HA GLU 15 HA GLU 15 4.958 6.820 -2.624
84 HB2 GLU 15 1HB GLU 15 2.839 6.289 -0.539
85 HB3 GLU 15 2HB GLU 15 4.039 7.567 -0.403
86 HG2 GLU 15 1HG GLU 15 3.123 8.256 -2.756
87 HG3 GLU 15 2HG GLU 15 1.709 7.340 -2.239
88 H CYS 16 H CYS 16 4.071 4.125 -0.484
89 HA CYS 16 HA CYS 16 6.762 4.227 0.689
90 HB2 CYS 16 1HB CYS 16 5.861 2.861 2.498
91 HB3 CYS 16 2HB CYS 16 4.869 4.297 2.269
92 H ARG 17 H ARG 17 4.883 2.519 -1.543
93 HA ARG 17 HA ARG 17 5.219 0.625 -2.756
94 HB2 ARG 17 1HB ARG 17 8.030 0.835 -1.661
95 HB3 ARG 17 2HB ARG 17 7.531 -0.170 -3.015
96 HG2 ARG 17 1HG ARG 17 7.238 2.822 -2.981
97 HG3 ARG 17 2HG ARG 17 8.652 1.983 -3.625
98 HD2 ARG 17 1HD ARG 17 5.858 1.384 -4.558
99 HD3 ARG 17 2HD ARG 17 6.841 2.653 -5.286
100 HE ARG 17 HE ARG 17 7.159 -0.192 -5.606
101 HH11 ARG 17 1HH1 ARG 17 8.703 2.921 -5.812
102 HH12 ARG 17 2HH1 ARG 17 9.913 2.393 -6.934
103 HH21 ARG 17 1HH2 ARG 17 8.745 -0.900 -7.084
104 HH22 ARG 17 2HH2 ARG 17 9.935 0.219 -7.658
105 H LYS 18 H LYS 18 3.971 0.185 -0.395
106 HA LYS 18 HA LYS 18 5.250 -2.206 0.742
107 HB2 LYS 18 1HB LYS 18 4.588 -0.352 2.296
108 HB3 LYS 18 2HB LYS 18 2.912 -0.645 1.851
109 HG2 LYS 18 1HG LYS 18 3.218 -3.004 2.658
110 HG3 LYS 18 2HG LYS 18 4.780 -2.497 3.305
111 HD2 LYS 18 1HD LYS 18 3.798 -1.047 4.855
112 HD3 LYS 18 2HD LYS 18 2.258 -1.023 3.993
113 HE2 LYS 18 1HE LYS 18 2.338 -3.614 4.541
114 HE3 LYS 18 2HE LYS 18 3.373 -3.057 5.855
115 HZ1 LYS 18 3HZ LYS 18 1.048 -1.441 5.634
116 HZ2 LYS 18 1HZ LYS 18 1.615 -2.324 6.962
117 HZ3 LYS 18 2HZ LYS 18 0.623 -3.069 5.812
118 H THR 19 H THR 19 4.352 -4.173 0.516
119 HA THR 19 HA THR 19 2.131 -4.455 -1.309
120 HB THR 19 HB THR 19 2.550 -6.862 -1.164
121 HG1 THR 19 HG1 THR 19 3.378 -6.454 1.189
122 HG21 THR 19 3HG2 THR 19 5.317 -5.830 -1.319
123 HG22 THR 19 1HG2 THR 19 4.134 -5.057 -2.373
124 HG23 THR 19 2HG2 THR 19 4.402 -6.797 -2.474
125 H PHE 20 H PHE 20 0.226 -5.687 -0.864
126 HA PHE 20 HA PHE 20 -0.452 -5.996 1.972
127 HB2 PHE 20 1HB PHE 20 -2.121 -4.539 -0.085
128 HB3 PHE 20 2HB PHE 20 -2.707 -5.017 1.505
129 HD1 PHE 20 HD1 PHE 20 0.004 -3.057 -0.125
130 HD2 PHE 20 HD2 PHE 20 -2.494 -3.561 3.284
131 HE1 PHE 20 HE1 PHE 20 0.875 -0.958 0.819
132 HE2 PHE 20 HE2 PHE 20 -1.628 -1.463 4.233
133 HZ PHE 20 HZ PHE 20 0.058 -0.158 3.000
134 H SER 21 H SER 21 -2.233 -7.439 2.373
135 HA SER 21 HA SER 21 -2.131 -9.804 0.911
136 HB2 SER 21 1HB SER 21 -3.980 -8.714 2.991
137 HB3 SER 21 2HB SER 21 -4.451 -10.180 2.133
138 HG SER 21 HG SER 21 -2.158 -10.838 2.726
139 H PHE 22 H PHE 22 -4.596 -7.244 0.861
140 HA PHE 22 HA PHE 22 -5.349 -8.116 -1.832
141 HB2 PHE 22 1HB PHE 22 -7.352 -7.496 0.349
142 HB3 PHE 22 2HB PHE 22 -7.729 -7.917 -1.319
143 HD1 PHE 22 HD1 PHE 22 -6.452 -9.184 1.884
144 HD2 PHE 22 HD2 PHE 22 -7.679 -10.179 -2.069
145 HE1 PHE 22 HE1 PHE 22 -6.503 -11.565 2.503
146 HE2 PHE 22 HE2 PHE 22 -7.733 -12.561 -1.456
147 HZ PHE 22 HZ PHE 22 -7.144 -13.257 0.832
148 H HIS 23 H HIS 23 -5.910 -6.486 -3.214
149 HA HIS 23 HA HIS 23 -4.905 -3.982 -2.976
150 HB2 HIS 23 1HB HIS 23 -6.104 -5.152 -4.977
151 HB3 HIS 23 2HB HIS 23 -7.537 -4.320 -4.379
152 HD2 HIS 23 HD2 HIS 23 -5.903 -1.459 -3.680
153 HE1 HIS 23 HE1 HIS 23 -5.222 -1.490 -7.868
154 HE2 HIS 23 HE2 HIS 23 -5.152 -0.114 -5.759
155 H SER 24 H SER 24 -8.225 -4.931 -2.124
156 HA SER 24 HA SER 24 -9.450 -2.661 -1.453
157 HB2 SER 24 1HB SER 24 -10.571 -4.703 -0.976
158 HB3 SER 24 2HB SER 24 -9.320 -5.211 0.159
159 HG SER 24 HG SER 24 -11.232 -4.393 1.182
160 H GLN 25 H GLN 25 -7.175 -4.284 0.760
161 HA GLN 25 HA GLN 25 -7.194 -2.316 2.749
162 HB2 GLN 25 1HB GLN 25 -5.137 -4.371 1.960
163 HB3 GLN 25 2HB GLN 25 -4.903 -3.292 3.329
164 HG2 GLN 25 1HG GLN 25 -5.821 -5.599 3.822
165 HG3 GLN 25 2HG GLN 25 -6.683 -4.229 4.520
166 HE21 GLN 25 1HE2 GLN 25 -6.785 -6.816 2.229
167 HE22 GLN 25 2HE2 GLN 25 -8.461 -6.682 1.834
168 H LEU 26 H LEU 26 -4.795 -2.843 0.162
169 HA LEU 26 HA LEU 26 -3.041 -0.846 0.547
170 HB2 LEU 26 1HB LEU 26 -2.683 -2.163 -1.335
171 HB3 LEU 26 2HB LEU 26 -4.297 -1.858 -1.972
172 HG LEU 26 HG LEU 26 -3.616 0.442 -2.534
173 HD11 LEU 26 1HD1 LEU 26 -1.764 1.368 -1.741
174 HD12 LEU 26 2HD1 LEU 26 -0.774 0.059 -2.385
175 HD13 LEU 26 3HD1 LEU 26 -1.498 -0.090 -0.784
176 HD21 LEU 26 3HD2 LEU 26 -2.541 -0.130 -4.503
177 HD22 LEU 26 1HD2 LEU 26 -3.305 -1.648 -4.033
178 HD23 LEU 26 2HD2 LEU 26 -1.585 -1.398 -3.735
179 H VAL 27 H VAL 27 -5.899 -0.317 -1.525
180 HA VAL 27 HA VAL 27 -5.795 2.352 -1.906
181 HB VAL 27 HB VAL 27 -8.360 0.956 -1.140
182 HG11 VAL 27 1HG1 VAL 27 -8.020 3.136 -3.172
183 HG12 VAL 27 2HG1 VAL 27 -9.484 2.615 -2.335
184 HG13 VAL 27 3HG1 VAL 27 -8.236 3.504 -1.461
185 HG21 VAL 27 3HG2 VAL 27 -8.158 0.988 -3.911
186 HG22 VAL 27 1HG2 VAL 27 -6.562 0.483 -3.356
187 HG23 VAL 27 2HG2 VAL 27 -7.994 -0.417 -2.857
188 H ILE 28 H ILE 28 -7.079 0.767 0.998
189 HA ILE 28 HA ILE 28 -7.867 3.122 2.330
190 HB ILE 28 HB ILE 28 -7.021 0.491 3.549
191 HG12 ILE 28 1HG1 ILE 28 -9.831 1.427 2.975
192 HG13 ILE 28 2HG1 ILE 28 -8.907 0.467 1.824
193 HG21 ILE 28 1HG2 ILE 28 -7.043 2.298 5.174
194 HG22 ILE 28 2HG2 ILE 28 -8.673 2.747 4.676
195 HG23 ILE 28 3HG2 ILE 28 -8.388 1.194 5.461
196 HD11 ILE 28 3HD1 ILE 28 -10.551 -0.685 3.467
197 HD12 ILE 28 1HD1 ILE 28 -8.980 -1.416 3.137
198 HD13 ILE 28 2HD1 ILE 28 -9.232 -0.500 4.624
199 H HIS 29 H HIS 29 -4.822 1.364 2.211
200 HA HIS 29 HA HIS 29 -3.527 2.755 4.303
201 HB2 HIS 29 1HB HIS 29 -2.522 0.727 3.669
202 HB3 HIS 29 2HB HIS 29 -2.545 1.147 1.959
203 HD1 HIS 29 HD1 HIS 29 -0.549 1.551 5.067
204 HD2 HIS 29 HD2 HIS 29 -0.450 2.851 1.122
205 HE1 HIS 29 HE1 HIS 29 1.748 2.520 4.736
206 H GLN 30 H GLN 30 -3.353 3.164 0.767
207 HA GLN 30 HA GLN 30 -1.611 5.192 0.472
208 HB2 GLN 30 1HB GLN 30 -4.299 4.864 -0.857
209 HB3 GLN 30 2HB GLN 30 -3.123 6.068 -1.366
210 HG2 GLN 30 1HG GLN 30 -1.501 4.096 -1.598
211 HG3 GLN 30 2HG GLN 30 -2.943 3.086 -1.523
212 HE21 GLN 30 1HE2 GLN 30 -4.735 3.874 -3.039
213 HE22 GLN 30 2HE2 GLN 30 -4.235 4.283 -4.641
214 H ARG 31 H ARG 31 -4.695 5.389 2.048
215 HA ARG 31 HA ARG 31 -5.156 8.137 1.978
216 HB2 ARG 31 1HB ARG 31 -5.794 6.157 4.172
217 HB3 ARG 31 2HB ARG 31 -6.465 7.778 4.055
218 HG2 ARG 31 1HG ARG 31 -7.624 7.231 2.041
219 HG3 ARG 31 2HG ARG 31 -6.808 5.669 1.938
220 HD2 ARG 31 1HD ARG 31 -7.988 4.810 3.777
221 HD3 ARG 31 2HD ARG 31 -8.508 6.412 4.298
222 HE ARG 31 HE ARG 31 -9.757 4.739 2.321
223 HH11 ARG 31 1HH1 ARG 31 -9.323 8.003 3.453
224 HH12 ARG 31 2HH1 ARG 31 -10.797 8.582 2.749
225 HH21 ARG 31 1HH2 ARG 31 -11.699 5.489 1.390
226 HH22 ARG 31 2HH2 ARG 31 -12.148 7.150 1.577
227 H ILE 32 H ILE 32 -3.555 6.256 4.554
228 HA ILE 32 HA ILE 32 -2.825 8.141 6.320
229 HB ILE 32 HB ILE 32 -0.998 6.837 6.985
230 HG12 ILE 32 1HG1 ILE 32 -0.853 5.739 4.168
231 HG13 ILE 32 2HG1 ILE 32 0.236 6.942 4.851
232 HG21 ILE 32 1HG2 ILE 32 -1.843 4.642 7.059
233 HG22 ILE 32 2HG2 ILE 32 -3.258 5.682 6.904
234 HG23 ILE 32 3HG2 ILE 32 -2.645 4.812 5.498
235 HD11 ILE 32 3HD1 ILE 32 0.849 5.222 6.585
236 HD12 ILE 32 1HD1 ILE 32 -0.036 4.051 5.607
237 HD13 ILE 32 2HD1 ILE 32 1.368 4.881 4.934
238 H HIS 33 H HIS 33 -1.421 7.708 3.128
239 HA HIS 33 HA HIS 33 0.659 9.646 3.529
240 HB2 HIS 33 1HB HIS 33 -0.406 8.429 0.971
241 HB3 HIS 33 2HB HIS 33 1.074 9.373 1.117
242 HD1 HIS 33 HD1 HIS 33 2.588 8.172 3.320
243 HD2 HIS 33 HD2 HIS 33 0.290 5.837 0.765
244 HE1 HIS 33 HE1 HIS 33 3.537 5.850 3.495
245 H THR 34 H THR 34 -2.420 9.592 1.756
246 HA THR 34 HA THR 34 -2.201 12.410 1.119
247 HB THR 34 HB THR 34 -4.430 12.107 0.054
248 HG1 THR 34 HG1 THR 34 -4.713 10.117 1.612
249 HG21 THR 34 3HG2 THR 34 -2.640 9.883 -0.867
250 HG22 THR 34 1HG2 THR 34 -2.148 11.568 -1.034
251 HG23 THR 34 2HG2 THR 34 -3.615 10.995 -1.828
252 H GLY 35 H GLY 35 -2.246 13.426 3.141
253 HA2 GLY 35 1HA GLY 35 -4.814 13.202 4.588
254 HA3 GLY 35 2HA GLY 35 -3.285 13.593 5.362
255 H GLU 36 H GLU 36 -2.861 15.672 5.716
256 HA GLU 36 HA GLU 36 -4.633 17.662 4.519
257 HB2 GLU 36 1HB GLU 36 -4.069 17.435 7.056
258 HB3 GLU 36 2HB GLU 36 -2.583 18.269 6.622
259 HG2 GLU 36 1HG GLU 36 -4.542 19.666 7.469
260 HG3 GLU 36 2HG GLU 36 -3.700 20.215 6.021
261 H ASN 37 H ASN 37 -3.801 19.638 3.642
262 HA ASN 37 HA ASN 37 -1.684 19.260 1.823
263 HB2 ASN 37 1HB ASN 37 -3.217 21.696 2.716
264 HB3 ASN 37 2HB ASN 37 -1.912 21.806 1.538
265 HD21 ASN 37 1HD2 ASN 37 -2.819 22.105 -0.367
266 HD22 ASN 37 2HD2 ASN 37 -4.122 21.179 -1.024
267 HA PRO 38 HA PRO 38 1.874 20.221 4.228
268 HB2 PRO 38 1HB PRO 38 3.546 20.999 2.236
269 HB3 PRO 38 2HB PRO 38 3.097 19.312 2.509
270 HG2 PRO 38 1HG PRO 38 2.002 21.266 0.523
271 HG3 PRO 38 2HG PRO 38 2.423 19.558 0.297
272 HD2 PRO 38 1HD PRO 38 -0.127 20.395 0.656
273 HD3 PRO 38 2HD PRO 38 0.451 18.819 1.232
274 H SER 39 H SER 39 3.516 22.021 4.503
275 HA SER 39 HA SER 39 2.300 24.390 5.197
276 HB2 SER 39 1HB SER 39 5.172 23.765 4.525
277 HB3 SER 39 2HB SER 39 4.672 25.366 5.070
278 HG SER 39 HG SER 39 5.339 23.480 6.623
279 H GLY 40 H GLY 40 2.138 26.443 4.283
280 HA2 GLY 40 1HA GLY 40 2.196 28.049 2.598
281 HA3 GLY 40 2HA GLY 40 3.023 26.895 1.562
282 HA PRO 41 HA PRO 41 -1.741 27.190 0.836
283 HB2 PRO 41 1HB PRO 41 -1.917 29.303 -0.859
284 HB3 PRO 41 2HB PRO 41 -2.094 29.459 0.893
285 HG2 PRO 41 1HG PRO 41 0.296 30.006 -0.825
286 HG3 PRO 41 2HG PRO 41 -0.350 30.954 0.527
287 HD2 PRO 41 1HD PRO 41 1.775 29.297 0.793
288 HD3 PRO 41 2HD PRO 41 0.622 29.591 2.111
289 H SER 42 H SER 42 1.166 27.262 -0.975
290 HA SER 42 HA SER 42 -0.154 26.378 -3.431
291 HB2 SER 42 1HB SER 42 2.010 26.655 -4.502
292 HB3 SER 42 2HB SER 42 1.637 28.103 -3.566
293 HG SER 42 HG SER 42 3.530 26.095 -3.070
294 H SER 43 H SER 43 -0.316 24.304 -3.951
295 HA SER 43 HA SER 43 1.471 22.378 -2.614
296 HB2 SER 43 1HB SER 43 -1.483 22.204 -3.180
297 HB3 SER 43 2HB SER 43 -0.510 20.759 -2.907
298 HG SER 43 HG SER 43 0.178 21.962 -0.913
299 H GLY 44 H GLY 44 1.903 20.405 -3.805
300 HA2 GLY 44 1HA GLY 44 2.478 20.939 -6.554
301 HA3 GLY 44 2HA GLY 44 2.775 19.430 -5.703
Start of MODEL 11
1 H1 GLY 1 H GLY 1 19.531 -3.845 -9.043
2 HA2 GLY 1 1HA GLY 1 22.086 -4.536 -8.932
3 HA3 GLY 1 2HA GLY 1 22.141 -3.038 -8.014
4 H SER 2 H SER 2 21.091 -2.921 -5.996
5 HA SER 2 HA SER 2 21.281 -5.214 -4.413
6 HB2 SER 2 1HB SER 2 19.989 -3.850 -2.715
7 HB3 SER 2 2HB SER 2 21.434 -3.072 -3.360
8 HG SER 2 HG SER 2 19.536 -1.712 -3.291
9 H SER 3 H SER 3 19.902 -6.797 -3.857
10 HA SER 3 HA SER 3 17.447 -7.052 -5.341
11 HB2 SER 3 1HB SER 3 19.180 -8.905 -4.627
12 HB3 SER 3 2HB SER 3 18.212 -8.948 -3.154
13 HG SER 3 HG SER 3 16.601 -9.818 -4.223
14 H GLY 4 H GLY 4 15.357 -7.217 -4.495
15 HA2 GLY 4 1HA GLY 4 14.949 -6.641 -1.666
16 HA3 GLY 4 2HA GLY 4 14.370 -5.430 -2.799
17 H SER 5 H SER 5 12.623 -6.645 -1.074
18 HA SER 5 HA SER 5 11.350 -8.933 -2.164
19 HB2 SER 5 1HB SER 5 10.434 -6.831 -0.198
20 HB3 SER 5 2HB SER 5 9.431 -8.207 -0.659
21 HG SER 5 HG SER 5 10.579 -9.424 0.604
22 H SER 6 H SER 6 9.696 -9.144 -3.582
23 HA SER 6 HA SER 6 8.110 -6.907 -4.439
24 HB2 SER 6 1HB SER 6 10.134 -6.503 -5.763
25 HB3 SER 6 2HB SER 6 10.064 -8.149 -6.392
26 HG SER 6 HG SER 6 8.320 -5.987 -6.892
27 H GLY 7 H GLY 7 6.144 -7.732 -4.651
28 HA2 GLY 7 1HA GLY 7 5.864 -10.570 -5.347
29 HA3 GLY 7 2HA GLY 7 4.637 -9.574 -4.579
30 H GLU 8 H GLU 8 5.143 -11.219 -7.261
31 HA GLU 8 HA GLU 8 4.385 -9.257 -9.240
32 HB2 GLU 8 1HB GLU 8 4.620 -12.267 -9.397
33 HB3 GLU 8 2HB GLU 8 4.276 -11.220 -10.767
34 HG2 GLU 8 1HG GLU 8 6.417 -10.180 -10.601
35 HG3 GLU 8 2HG GLU 8 6.758 -11.009 -9.083
36 H LYS 9 H LYS 9 2.792 -11.334 -7.038
37 HA LYS 9 HA LYS 9 0.229 -10.841 -8.407
38 HB2 LYS 9 1HB LYS 9 1.187 -13.287 -8.093
39 HB3 LYS 9 2HB LYS 9 0.531 -13.097 -6.472
40 HG2 LYS 9 1HG LYS 9 -1.660 -12.916 -7.250
41 HG3 LYS 9 2HG LYS 9 -1.141 -12.561 -8.899
42 HD2 LYS 9 1HD LYS 9 -0.478 -15.184 -7.609
43 HD3 LYS 9 2HD LYS 9 -2.053 -14.918 -8.359
44 HE2 LYS 9 1HE LYS 9 0.564 -14.450 -9.774
45 HE3 LYS 9 2HE LYS 9 -0.313 -15.978 -9.836
46 HZ1 LYS 9 3HZ LYS 9 -0.701 -14.311 -11.701
47 HZ2 LYS 9 1HZ LYS 9 -1.614 -13.433 -10.579
48 HZ3 LYS 9 2HZ LYS 9 -2.067 -15.010 -10.990
49 H LEU 10 H LEU 10 1.315 -8.956 -6.688
50 HA LEU 10 HA LEU 10 -0.729 -8.904 -4.626
51 HB2 LEU 10 1HB LEU 10 2.186 -8.559 -3.941
52 HB3 LEU 10 2HB LEU 10 0.825 -8.388 -2.834
53 HG LEU 10 HG LEU 10 1.423 -10.987 -4.220
54 HD11 LEU 10 1HD1 LEU 10 3.242 -11.285 -2.993
55 HD12 LEU 10 2HD1 LEU 10 2.278 -11.081 -1.531
56 HD13 LEU 10 3HD1 LEU 10 3.051 -9.684 -2.279
57 HD21 LEU 10 3HD2 LEU 10 -0.696 -11.104 -3.300
58 HD22 LEU 10 1HD2 LEU 10 -0.270 -10.083 -1.926
59 HD23 LEU 10 2HD2 LEU 10 0.311 -11.747 -2.002
60 H HIS 11 H HIS 11 -1.462 -6.884 -4.225
61 HA HIS 11 HA HIS 11 -0.438 -4.744 -5.878
62 HB2 HIS 11 1HB HIS 11 -2.870 -5.190 -4.217
63 HB3 HIS 11 2HB HIS 11 -2.384 -3.525 -4.522
64 HD2 HIS 11 HD2 HIS 11 -4.120 -6.451 -6.312
65 HE1 HIS 11 HE1 HIS 11 -3.623 -3.337 -9.150
66 HE2 HIS 11 HE2 HIS 11 -4.773 -5.518 -8.635
67 H GLU 12 H GLU 12 1.076 -3.369 -5.246
68 HA GLU 12 HA GLU 12 1.451 -2.921 -2.358
69 HB2 GLU 12 1HB GLU 12 3.764 -2.667 -2.699
70 HB3 GLU 12 2HB GLU 12 3.317 -4.050 -3.688
71 HG2 GLU 12 1HG GLU 12 3.217 -2.541 -5.655
72 HG3 GLU 12 2HG GLU 12 3.821 -1.239 -4.632
73 H CYS 13 H CYS 13 2.296 -0.773 -1.764
74 HA CYS 13 HA CYS 13 0.706 1.284 -2.914
75 HB2 CYS 13 1HB CYS 13 1.596 1.029 -0.480
76 HB3 CYS 13 2HB CYS 13 3.039 1.823 -1.102
77 H SER 14 H SER 14 1.799 3.479 -3.419
78 HA SER 14 HA SER 14 3.960 2.966 -5.354
79 HB2 SER 14 1HB SER 14 1.709 4.980 -5.396
80 HB3 SER 14 2HB SER 14 3.086 5.056 -6.494
81 HG SER 14 HG SER 14 1.509 3.915 -7.536
82 H GLU 15 H GLU 15 2.999 4.760 -2.584
83 HA GLU 15 HA GLU 15 5.112 6.735 -2.876
84 HB2 GLU 15 1HB GLU 15 2.952 6.277 -0.831
85 HB3 GLU 15 2HB GLU 15 4.252 7.427 -0.552
86 HG2 GLU 15 1HG GLU 15 2.127 8.395 -1.451
87 HG3 GLU 15 2HG GLU 15 3.583 8.775 -2.371
88 H CYS 16 H CYS 16 4.234 4.150 -0.591
89 HA CYS 16 HA CYS 16 6.980 4.204 0.447
90 HB2 CYS 16 1HB CYS 16 6.079 2.871 2.329
91 HB3 CYS 16 2HB CYS 16 5.261 4.420 2.151
92 H ARG 17 H ARG 17 4.911 2.447 -1.583
93 HA ARG 17 HA ARG 17 5.170 0.519 -2.763
94 HB2 ARG 17 1HB ARG 17 7.984 0.550 -1.657
95 HB3 ARG 17 2HB ARG 17 7.415 -0.424 -3.006
96 HG2 ARG 17 1HG ARG 17 7.486 2.586 -2.946
97 HG3 ARG 17 2HG ARG 17 8.675 1.547 -3.734
98 HD2 ARG 17 1HD ARG 17 6.496 0.571 -4.889
99 HD3 ARG 17 2HD ARG 17 5.879 2.179 -4.515
100 HE ARG 17 HE ARG 17 8.423 2.312 -5.777
101 HH11 ARG 17 1HH1 ARG 17 5.038 1.788 -6.397
102 HH12 ARG 17 2HH1 ARG 17 5.117 2.347 -8.035
103 HH21 ARG 17 1HH2 ARG 17 8.541 3.051 -7.932
104 HH22 ARG 17 2HH2 ARG 17 7.111 3.065 -8.907
105 H LYS 18 H LYS 18 3.937 0.304 -0.323
106 HA LYS 18 HA LYS 18 5.059 -2.065 0.976
107 HB2 LYS 18 1HB LYS 18 4.071 0.057 2.169
108 HB3 LYS 18 2HB LYS 18 2.530 -0.733 1.865
109 HG2 LYS 18 1HG LYS 18 3.218 -2.664 3.128
110 HG3 LYS 18 2HG LYS 18 4.834 -1.988 3.342
111 HD2 LYS 18 1HD LYS 18 2.458 -0.425 4.252
112 HD3 LYS 18 2HD LYS 18 3.039 -1.768 5.238
113 HE2 LYS 18 1HE LYS 18 4.932 0.331 4.249
114 HE3 LYS 18 2HE LYS 18 3.946 0.619 5.681
115 HZ1 LYS 18 3HZ LYS 18 6.313 -0.909 5.432
116 HZ2 LYS 18 1HZ LYS 18 5.057 -1.892 5.997
117 HZ3 LYS 18 2HZ LYS 18 5.467 -0.480 6.832
118 H THR 19 H THR 19 4.246 -4.051 0.719
119 HA THR 19 HA THR 19 2.123 -4.446 -1.204
120 HB THR 19 HB THR 19 2.618 -6.824 -1.012
121 HG1 THR 19 HG1 THR 19 4.368 -7.426 0.452
122 HG21 THR 19 3HG2 THR 19 4.045 -5.591 -2.503
123 HG22 THR 19 1HG2 THR 19 5.035 -6.768 -1.640
124 HG23 THR 19 2HG2 THR 19 5.069 -5.069 -1.166
125 H PHE 20 H PHE 20 0.263 -5.788 -0.805
126 HA PHE 20 HA PHE 20 -0.525 -6.098 1.993
127 HB2 PHE 20 1HB PHE 20 -2.162 -4.612 -0.070
128 HB3 PHE 20 2HB PHE 20 -2.750 -5.092 1.518
129 HD1 PHE 20 HD1 PHE 20 -0.188 -3.029 -0.190
130 HD2 PHE 20 HD2 PHE 20 -2.387 -3.740 3.384
131 HE1 PHE 20 HE1 PHE 20 0.682 -0.932 0.758
132 HE2 PHE 20 HE2 PHE 20 -1.520 -1.644 4.338
133 HZ PHE 20 HZ PHE 20 0.015 -0.237 3.024
134 H SER 21 H SER 21 -2.258 -7.587 2.321
135 HA SER 21 HA SER 21 -2.143 -9.862 0.687
136 HB2 SER 21 1HB SER 21 -4.291 -9.116 2.686
137 HB3 SER 21 2HB SER 21 -3.971 -10.735 2.065
138 HG SER 21 HG SER 21 -2.448 -10.925 3.489
139 H PHE 22 H PHE 22 -4.562 -7.287 0.917
140 HA PHE 22 HA PHE 22 -5.589 -8.124 -1.703
141 HB2 PHE 22 1HB PHE 22 -7.386 -7.200 0.542
142 HB3 PHE 22 2HB PHE 22 -7.869 -7.850 -1.022
143 HD1 PHE 22 HD2 PHE 22 -7.400 -10.266 -1.525
144 HD2 PHE 22 HD1 PHE 22 -6.989 -8.606 2.372
145 HE1 PHE 22 HE2 PHE 22 -7.494 -12.526 -0.557
146 HE2 PHE 22 HE1 PHE 22 -7.082 -10.864 3.347
147 HZ PHE 22 HZ PHE 22 -7.336 -12.827 1.882
148 H HIS 23 H HIS 23 -6.297 -6.472 -3.040
149 HA HIS 23 HA HIS 23 -5.041 -4.005 -2.847
150 HB2 HIS 23 1HB HIS 23 -6.247 -5.214 -4.854
151 HB3 HIS 23 2HB HIS 23 -7.620 -4.233 -4.348
152 HD2 HIS 23 HD2 HIS 23 -6.034 -1.421 -3.783
153 HE1 HIS 23 HE1 HIS 23 -4.732 -1.837 -7.799
154 HE2 HIS 23 HE2 HIS 23 -4.946 -0.278 -5.833
155 H SER 24 H SER 24 -8.358 -4.905 -1.983
156 HA SER 24 HA SER 24 -9.551 -2.547 -1.445
157 HB2 SER 24 1HB SER 24 -9.604 -5.123 0.113
158 HB3 SER 24 2HB SER 24 -10.586 -3.741 0.600
159 HG SER 24 HG SER 24 -10.915 -5.478 -1.494
160 H GLN 25 H GLN 25 -7.175 -4.148 0.635
161 HA GLN 25 HA GLN 25 -7.281 -2.214 2.711
162 HB2 GLN 25 1HB GLN 25 -5.361 -4.396 1.969
163 HB3 GLN 25 2HB GLN 25 -4.954 -3.254 3.243
164 HG2 GLN 25 1HG GLN 25 -7.167 -3.878 4.309
165 HG3 GLN 25 2HG GLN 25 -7.223 -5.214 3.159
166 HE21 GLN 25 1HE2 GLN 25 -6.415 -4.419 6.213
167 HE22 GLN 25 2HE2 GLN 25 -5.234 -5.637 6.541
168 H LEU 26 H LEU 26 -4.842 -2.810 0.177
169 HA LEU 26 HA LEU 26 -3.036 -0.873 0.582
170 HB2 LEU 26 1HB LEU 26 -2.694 -2.166 -1.310
171 HB3 LEU 26 2HB LEU 26 -4.304 -1.835 -1.948
172 HG LEU 26 HG LEU 26 -3.603 0.437 -2.532
173 HD11 LEU 26 1HD1 LEU 26 -1.559 1.338 -2.067
174 HD12 LEU 26 2HD1 LEU 26 -0.757 -0.231 -1.994
175 HD13 LEU 26 3HD1 LEU 26 -1.762 0.309 -0.649
176 HD21 LEU 26 3HD2 LEU 26 -1.467 -1.264 -3.698
177 HD22 LEU 26 1HD2 LEU 26 -2.611 -0.178 -4.487
178 HD23 LEU 26 2HD2 LEU 26 -3.142 -1.765 -3.932
179 H VAL 27 H VAL 27 -5.941 -0.254 -1.400
180 HA VAL 27 HA VAL 27 -5.736 2.417 -1.810
181 HB VAL 27 HB VAL 27 -8.348 1.173 -0.964
182 HG11 VAL 27 1HG1 VAL 27 -9.347 2.966 -1.863
183 HG12 VAL 27 2HG1 VAL 27 -7.766 3.734 -1.715
184 HG13 VAL 27 3HG1 VAL 27 -8.253 3.002 -3.245
185 HG21 VAL 27 3HG2 VAL 27 -6.804 0.862 -3.520
186 HG22 VAL 27 1HG2 VAL 27 -7.529 -0.387 -2.508
187 HG23 VAL 27 2HG2 VAL 27 -8.557 0.679 -3.466
188 H ILE 28 H ILE 28 -7.078 0.893 1.107
189 HA ILE 28 HA ILE 28 -7.744 3.258 2.459
190 HB ILE 28 HB ILE 28 -6.909 0.624 3.679
191 HG12 ILE 28 1HG1 ILE 28 -9.727 1.562 3.171
192 HG13 ILE 28 2HG1 ILE 28 -8.832 0.633 1.973
193 HG21 ILE 28 1HG2 ILE 28 -6.880 2.311 5.354
194 HG22 ILE 28 2HG2 ILE 28 -8.402 2.992 4.784
195 HG23 ILE 28 3HG2 ILE 28 -8.381 1.407 5.558
196 HD11 ILE 28 3HD1 ILE 28 -8.859 -0.508 4.677
197 HD12 ILE 28 1HD1 ILE 28 -10.421 -0.444 3.861
198 HD13 ILE 28 2HD1 ILE 28 -9.066 -1.286 3.108
199 H HIS 29 H HIS 29 -4.728 1.482 2.208
200 HA HIS 29 HA HIS 29 -3.365 2.889 4.273
201 HB2 HIS 29 1HB HIS 29 -2.477 0.772 3.680
202 HB3 HIS 29 2HB HIS 29 -2.430 1.186 1.968
203 HD1 HIS 29 HD1 HIS 29 -0.552 1.632 5.166
204 HD2 HIS 29 HD2 HIS 29 -0.200 2.680 1.161
205 HE1 HIS 29 HE1 HIS 29 1.804 2.470 4.894
206 H GLN 30 H GLN 30 -3.374 3.182 0.729
207 HA GLN 30 HA GLN 30 -1.527 5.181 0.387
208 HB2 GLN 30 1HB GLN 30 -4.129 4.709 -1.066
209 HB3 GLN 30 2HB GLN 30 -2.931 5.883 -1.596
210 HG2 GLN 30 1HG GLN 30 -1.279 3.961 -1.640
211 HG3 GLN 30 2HG GLN 30 -2.674 2.897 -1.463
212 HE21 GLN 30 1HE2 GLN 30 -3.755 2.323 -3.228
213 HE22 GLN 30 2HE2 GLN 30 -3.540 3.007 -4.800
214 H ARG 31 H ARG 31 -4.535 5.376 1.996
215 HA ARG 31 HA ARG 31 -5.111 8.117 1.638
216 HB2 ARG 31 1HB ARG 31 -5.814 6.283 3.937
217 HB3 ARG 31 2HB ARG 31 -6.527 7.864 3.648
218 HG2 ARG 31 1HG ARG 31 -7.507 7.095 1.585
219 HG3 ARG 31 2HG ARG 31 -6.699 5.535 1.749
220 HD2 ARG 31 1HD ARG 31 -8.784 5.026 2.562
221 HD3 ARG 31 2HD ARG 31 -7.950 5.474 4.049
222 HE ARG 31 HE ARG 31 -10.079 6.927 2.733
223 HH11 ARG 31 1HH1 ARG 31 -7.510 7.008 5.081
224 HH12 ARG 31 2HH1 ARG 31 -8.173 8.351 5.953
225 HH21 ARG 31 1HH2 ARG 31 -10.962 8.695 3.872
226 HH22 ARG 31 2HH2 ARG 31 -10.137 9.309 5.264
227 H ILE 32 H ILE 32 -3.586 6.428 4.385
228 HA ILE 32 HA ILE 32 -2.982 8.372 6.105
229 HB ILE 32 HB ILE 32 -1.100 7.196 6.837
230 HG12 ILE 32 1HG1 ILE 32 -0.781 6.097 4.035
231 HG13 ILE 32 2HG1 ILE 32 0.194 7.380 4.744
232 HG21 ILE 32 1HG2 ILE 32 -1.831 4.995 6.974
233 HG22 ILE 32 2HG2 ILE 32 -3.307 5.883 6.598
234 HG23 ILE 32 3HG2 ILE 32 -2.462 4.998 5.327
235 HD11 ILE 32 3HD1 ILE 32 1.602 5.813 5.411
236 HD12 ILE 32 1HD1 ILE 32 0.366 5.268 6.545
237 HD13 ILE 32 2HD1 ILE 32 0.485 4.529 4.947
238 H HIS 33 H HIS 33 -1.547 8.027 2.928
239 HA HIS 33 HA HIS 33 0.443 10.055 3.329
240 HB2 HIS 33 1HB HIS 33 -0.598 8.868 0.748
241 HB3 HIS 33 2HB HIS 33 0.871 9.821 0.932
242 HD1 HIS 33 HD1 HIS 33 2.374 8.563 3.118
243 HD2 HIS 33 HD2 HIS 33 0.135 6.294 0.453
244 HE1 HIS 33 HE1 HIS 33 3.348 6.247 3.223
245 H THR 34 H THR 34 -2.664 9.890 1.615
246 HA THR 34 HA THR 34 -2.576 12.720 1.001
247 HB THR 34 HB THR 34 -4.838 12.320 0.007
248 HG1 THR 34 HG1 THR 34 -4.394 9.556 0.289
249 HG21 THR 34 3HG2 THR 34 -2.537 10.576 -0.861
250 HG22 THR 34 1HG2 THR 34 -2.964 12.179 -1.460
251 HG23 THR 34 2HG2 THR 34 -4.001 10.798 -1.819
252 H GLY 35 H GLY 35 -2.420 12.578 3.664
253 HA2 GLY 35 1HA GLY 35 -4.696 14.037 4.527
254 HA3 GLY 35 2HA GLY 35 -4.746 12.403 5.172
255 H GLU 36 H GLU 36 -4.516 13.115 7.303
256 HA GLU 36 HA GLU 36 -2.684 14.899 8.318
257 HB2 GLU 36 1HB GLU 36 -4.001 12.461 9.443
258 HB3 GLU 36 2HB GLU 36 -2.752 13.267 10.381
259 HG2 GLU 36 1HG GLU 36 -5.114 14.744 9.274
260 HG3 GLU 36 2HG GLU 36 -5.161 13.924 10.833
261 H ASN 37 H ASN 37 -0.596 14.765 9.141
262 HA ASN 37 HA ASN 37 0.927 12.352 8.420
263 HB2 ASN 37 1HB ASN 37 1.228 14.341 6.833
264 HB3 ASN 37 2HB ASN 37 2.057 15.135 8.169
265 HD21 ASN 37 1HD2 ASN 37 2.361 13.051 5.557
266 HD22 ASN 37 2HD2 ASN 37 3.958 12.474 5.876
267 HA PRO 38 HA PRO 38 2.314 12.498 12.602
268 HB2 PRO 38 1HB PRO 38 4.498 10.905 12.354
269 HB3 PRO 38 2HB PRO 38 2.845 10.279 12.338
270 HG2 PRO 38 1HG PRO 38 4.676 10.855 10.040
271 HG3 PRO 38 2HG PRO 38 3.609 9.463 10.299
272 HD2 PRO 38 1HD PRO 38 2.946 11.523 8.672
273 HD3 PRO 38 2HD PRO 38 1.737 10.606 9.592
274 H SER 39 H SER 39 4.682 13.031 10.012
275 HA SER 39 HA SER 39 6.701 14.171 11.592
276 HB2 SER 39 1HB SER 39 6.662 13.411 9.061
277 HB3 SER 39 2HB SER 39 6.282 15.110 8.783
278 HG SER 39 HG SER 39 8.214 15.693 9.594
279 H GLY 40 H GLY 40 4.140 15.734 9.669
280 HA2 GLY 40 1HA GLY 40 3.007 17.598 10.931
281 HA3 GLY 40 2HA GLY 40 4.632 18.201 11.218
282 HA PRO 41 HA PRO 41 2.707 19.764 7.135
283 HB2 PRO 41 1HB PRO 41 1.918 22.230 7.950
284 HB3 PRO 41 2HB PRO 41 0.857 20.817 7.999
285 HG2 PRO 41 1HG PRO 41 2.441 22.072 10.207
286 HG3 PRO 41 2HG PRO 41 0.777 21.460 10.232
287 HD2 PRO 41 1HD PRO 41 2.864 20.047 11.220
288 HD3 PRO 41 2HD PRO 41 1.452 19.270 10.474
289 H SER 42 H SER 42 4.947 19.739 6.568
290 HA SER 42 HA SER 42 6.334 22.288 7.087
291 HB2 SER 42 1HB SER 42 8.455 21.042 6.736
292 HB3 SER 42 2HB SER 42 7.534 20.432 8.111
293 HG SER 42 HG SER 42 6.866 18.702 6.869
294 H SER 43 H SER 43 6.018 23.525 5.345
295 HA SER 43 HA SER 43 7.033 22.632 2.795
296 HB2 SER 43 1HB SER 43 4.103 23.240 3.196
297 HB3 SER 43 2HB SER 43 4.881 23.339 1.616
298 HG SER 43 HG SER 43 4.302 21.291 1.605
299 H GLY 44 H GLY 44 8.313 24.264 2.245
300 HA2 GLY 44 1HA GLY 44 8.592 26.732 3.222
301 HA3 GLY 44 2HA GLY 44 8.814 26.415 1.507
Start of MODEL 12
1 H1 GLY 1 H GLY 1 18.926 -13.275 3.127
2 HA2 GLY 1 1HA GLY 1 17.683 -14.626 1.042
3 HA3 GLY 1 2HA GLY 1 16.851 -13.597 2.199
4 H SER 2 H SER 2 18.299 -13.781 -0.967
5 HA SER 2 HA SER 2 17.082 -11.176 -1.621
6 HB2 SER 2 1HB SER 2 19.468 -10.978 -1.834
7 HB3 SER 2 2HB SER 2 19.565 -12.480 -2.752
8 HG SER 2 HG SER 2 19.348 -10.103 -3.743
9 H SER 3 H SER 3 15.191 -11.622 -2.569
10 HA SER 3 HA SER 3 14.839 -13.953 -4.234
11 HB2 SER 3 1HB SER 3 12.521 -13.270 -4.388
12 HB3 SER 3 2HB SER 3 13.049 -13.096 -2.714
13 HG SER 3 HG SER 3 13.214 -10.892 -3.017
14 H GLY 4 H GLY 4 13.902 -13.779 -6.426
15 HA2 GLY 4 1HA GLY 4 15.088 -11.493 -7.877
16 HA3 GLY 4 2HA GLY 4 15.032 -13.129 -8.516
17 H SER 5 H SER 5 12.874 -10.555 -7.339
18 HA SER 5 HA SER 5 10.696 -10.073 -7.884
19 HB2 SER 5 1HB SER 5 10.427 -9.435 -10.190
20 HB3 SER 5 2HB SER 5 12.087 -9.069 -9.721
21 HG SER 5 HG SER 5 11.253 -11.407 -11.100
22 H SER 6 H SER 6 10.912 -12.747 -7.187
23 HA SER 6 HA SER 6 9.147 -14.087 -9.128
24 HB2 SER 6 1HB SER 6 11.086 -15.236 -7.113
25 HB3 SER 6 2HB SER 6 9.900 -16.212 -7.980
26 HG SER 6 HG SER 6 12.204 -14.946 -8.919
27 H GLY 7 H GLY 7 7.093 -13.854 -8.515
28 HA2 GLY 7 1HA GLY 7 6.001 -15.072 -6.282
29 HA3 GLY 7 2HA GLY 7 6.286 -13.399 -5.824
30 H GLU 8 H GLU 8 3.738 -14.479 -5.851
31 HA GLU 8 HA GLU 8 2.335 -14.031 -8.262
32 HB2 GLU 8 1HB GLU 8 1.645 -15.268 -6.041
33 HB3 GLU 8 2HB GLU 8 1.006 -13.689 -5.606
34 HG2 GLU 8 1HG GLU 8 0.275 -15.210 -8.097
35 HG3 GLU 8 2HG GLU 8 -0.674 -15.183 -6.612
36 H LYS 9 H LYS 9 1.904 -12.184 -9.251
37 HA LYS 9 HA LYS 9 2.655 -9.676 -8.491
38 HB2 LYS 9 1HB LYS 9 1.940 -10.067 -10.738
39 HB3 LYS 9 2HB LYS 9 0.326 -10.527 -10.212
40 HG2 LYS 9 1HG LYS 9 -0.072 -8.407 -10.946
41 HG3 LYS 9 2HG LYS 9 0.294 -8.083 -9.250
42 HD2 LYS 9 1HD LYS 9 2.549 -8.100 -11.189
43 HD3 LYS 9 2HD LYS 9 1.442 -6.724 -11.215
44 HE2 LYS 9 1HE LYS 9 2.492 -7.634 -8.587
45 HE3 LYS 9 2HE LYS 9 3.588 -6.769 -9.663
46 HZ1 LYS 9 3HZ LYS 9 0.909 -5.696 -9.040
47 HZ2 LYS 9 1HZ LYS 9 2.276 -4.873 -9.603
48 HZ3 LYS 9 2HZ LYS 9 2.218 -5.421 -8.005
49 H LEU 10 H LEU 10 2.253 -8.942 -6.471
50 HA LEU 10 HA LEU 10 -0.537 -8.887 -5.548
51 HB2 LEU 10 1HB LEU 10 2.093 -9.007 -4.178
52 HB3 LEU 10 2HB LEU 10 0.787 -8.143 -3.368
53 HG LEU 10 HG LEU 10 0.440 -10.967 -4.326
54 HD11 LEU 10 1HD1 LEU 10 1.791 -9.976 -1.846
55 HD12 LEU 10 2HD1 LEU 10 2.272 -11.275 -2.937
56 HD13 LEU 10 3HD1 LEU 10 0.906 -11.502 -1.846
57 HD21 LEU 10 3HD2 LEU 10 -1.349 -9.166 -3.369
58 HD22 LEU 10 1HD2 LEU 10 -0.852 -9.976 -1.883
59 HD23 LEU 10 2HD2 LEU 10 -1.515 -10.917 -3.220
60 H HIS 11 H HIS 11 -1.421 -6.971 -4.690
61 HA HIS 11 HA HIS 11 -0.604 -4.596 -6.044
62 HB2 HIS 11 1HB HIS 11 -2.755 -5.248 -4.051
63 HB3 HIS 11 2HB HIS 11 -2.429 -3.576 -4.498
64 HD2 HIS 11 HD2 HIS 11 -4.512 -6.484 -5.696
65 HE1 HIS 11 HE1 HIS 11 -4.195 -3.834 -8.994
66 HE2 HIS 11 HE2 HIS 11 -5.432 -5.797 -8.014
67 H GLU 12 H GLU 12 0.603 -2.931 -5.352
68 HA GLU 12 HA GLU 12 1.348 -2.833 -2.508
69 HB2 GLU 12 1HB GLU 12 3.631 -2.530 -2.984
70 HB3 GLU 12 2HB GLU 12 3.131 -3.854 -4.027
71 HG2 GLU 12 1HG GLU 12 2.864 -2.194 -5.872
72 HG3 GLU 12 2HG GLU 12 3.587 -0.988 -4.809
73 H CYS 13 H CYS 13 2.394 -0.691 -1.948
74 HA CYS 13 HA CYS 13 0.669 1.416 -2.879
75 HB2 CYS 13 1HB CYS 13 1.633 0.983 -0.476
76 HB3 CYS 13 2HB CYS 13 3.014 1.895 -1.078
77 H SER 14 H SER 14 1.824 3.657 -3.176
78 HA SER 14 HA SER 14 3.900 3.266 -5.229
79 HB2 SER 14 1HB SER 14 1.515 4.290 -5.738
80 HB3 SER 14 2HB SER 14 2.255 5.761 -5.108
81 HG SER 14 HG SER 14 4.026 5.157 -6.674
82 H GLU 15 H GLU 15 3.002 4.989 -2.344
83 HA GLU 15 HA GLU 15 5.285 6.776 -2.497
84 HB2 GLU 15 1HB GLU 15 2.959 6.457 -0.643
85 HB3 GLU 15 2HB GLU 15 4.384 7.322 -0.085
86 HG2 GLU 15 1HG GLU 15 2.946 8.021 -2.626
87 HG3 GLU 15 2HG GLU 15 2.534 8.722 -1.063
88 H CYS 16 H CYS 16 4.149 4.139 -0.400
89 HA CYS 16 HA CYS 16 6.812 3.982 0.811
90 HB2 CYS 16 1HB CYS 16 5.785 2.583 2.511
91 HB3 CYS 16 2HB CYS 16 4.844 4.059 2.315
92 H ARG 17 H ARG 17 4.806 2.428 -1.482
93 HA ARG 17 HA ARG 17 5.070 0.584 -2.786
94 HB2 ARG 17 1HB ARG 17 7.919 0.722 -1.783
95 HB3 ARG 17 2HB ARG 17 7.365 -0.252 -3.138
96 HG2 ARG 17 1HG ARG 17 7.009 2.725 -3.082
97 HG3 ARG 17 2HG ARG 17 8.493 1.967 -3.663
98 HD2 ARG 17 1HD ARG 17 5.858 1.057 -4.731
99 HD3 ARG 17 2HD ARG 17 6.562 2.560 -5.327
100 HE ARG 17 HE ARG 17 7.488 -0.125 -5.844
101 HH11 ARG 17 1HH1 ARG 17 8.285 3.264 -5.834
102 HH12 ARG 17 2HH1 ARG 17 9.575 3.098 -6.979
103 HH21 ARG 17 1HH2 ARG 17 9.184 -0.357 -7.352
104 HH22 ARG 17 2HH2 ARG 17 10.084 1.038 -7.842
105 H LYS 18 H LYS 18 3.956 0.124 -0.315
106 HA LYS 18 HA LYS 18 5.212 -2.340 0.665
107 HB2 LYS 18 1HB LYS 18 4.479 -0.406 2.211
108 HB3 LYS 18 2HB LYS 18 2.842 -0.978 1.919
109 HG2 LYS 18 1HG LYS 18 3.372 -3.126 2.866
110 HG3 LYS 18 2HG LYS 18 5.067 -2.668 3.040
111 HD2 LYS 18 1HD LYS 18 4.428 -0.904 4.612
112 HD3 LYS 18 2HD LYS 18 2.731 -1.358 4.434
113 HE2 LYS 18 1HE LYS 18 3.241 -2.524 6.328
114 HE3 LYS 18 2HE LYS 18 3.665 -3.733 5.117
115 HZ1 LYS 18 3HZ LYS 18 5.520 -1.918 6.555
116 HZ2 LYS 18 1HZ LYS 18 5.982 -2.903 5.259
117 HZ3 LYS 18 2HZ LYS 18 5.424 -3.601 6.695
118 H THR 19 H THR 19 4.248 -4.298 0.497
119 HA THR 19 HA THR 19 2.041 -4.535 -1.350
120 HB THR 19 HB THR 19 2.394 -6.947 -1.192
121 HG1 THR 19 HG1 THR 19 4.441 -7.404 0.189
122 HG21 THR 19 3HG2 THR 19 3.817 -6.032 -2.788
123 HG22 THR 19 1HG2 THR 19 4.929 -6.926 -1.752
124 HG23 THR 19 2HG2 THR 19 4.780 -5.176 -1.585
125 H PHE 20 H PHE 20 0.145 -5.851 -0.899
126 HA PHE 20 HA PHE 20 -0.583 -6.107 1.919
127 HB2 PHE 20 1HB PHE 20 -2.197 -4.547 -0.107
128 HB3 PHE 20 2HB PHE 20 -2.786 -5.019 1.483
129 HD1 PHE 20 HD1 PHE 20 -0.157 -3.048 -0.233
130 HD2 PHE 20 HD2 PHE 20 -2.350 -3.699 3.356
131 HE1 PHE 20 HE1 PHE 20 0.810 -0.999 0.725
132 HE2 PHE 20 HE2 PHE 20 -1.387 -1.651 4.320
133 HZ PHE 20 HZ PHE 20 0.194 -0.297 3.004
134 H SER 21 H SER 21 -1.991 -7.756 2.348
135 HA SER 21 HA SER 21 -2.117 -9.960 0.746
136 HB2 SER 21 1HB SER 21 -4.103 -9.021 2.823
137 HB3 SER 21 2HB SER 21 -4.155 -10.623 2.089
138 HG SER 21 HG SER 21 -2.880 -10.127 4.185
139 H PHE 22 H PHE 22 -4.518 -7.354 0.931
140 HA PHE 22 HA PHE 22 -5.525 -8.210 -1.694
141 HB2 PHE 22 1HB PHE 22 -7.293 -7.231 0.554
142 HB3 PHE 22 2HB PHE 22 -7.810 -7.814 -1.025
143 HD1 PHE 22 HD2 PHE 22 -7.371 -10.242 -1.604
144 HD2 PHE 22 HD1 PHE 22 -7.028 -8.696 2.347
145 HE1 PHE 22 HE2 PHE 22 -7.559 -12.522 -0.699
146 HE2 PHE 22 HE1 PHE 22 -7.215 -10.974 3.258
147 HZ PHE 22 HZ PHE 22 -7.482 -12.890 1.735
148 H HIS 23 H HIS 23 -6.669 -6.493 -2.868
149 HA HIS 23 HA HIS 23 -5.196 -4.080 -2.858
150 HB2 HIS 23 1HB HIS 23 -6.499 -5.250 -4.789
151 HB3 HIS 23 2HB HIS 23 -7.876 -4.332 -4.187
152 HD2 HIS 23 HD2 HIS 23 -6.664 -1.418 -3.783
153 HE1 HIS 23 HE1 HIS 23 -5.092 -1.816 -7.703
154 HE2 HIS 23 HE2 HIS 23 -5.600 -0.226 -5.817
155 H SER 24 H SER 24 -8.556 -4.799 -1.933
156 HA SER 24 HA SER 24 -9.606 -2.426 -1.299
157 HB2 SER 24 1HB SER 24 -9.724 -5.052 0.123
158 HB3 SER 24 2HB SER 24 -10.468 -3.648 0.889
159 HG SER 24 HG SER 24 -11.381 -5.142 -1.148
160 H GLN 25 H GLN 25 -7.443 -4.191 0.917
161 HA GLN 25 HA GLN 25 -7.311 -2.251 2.913
162 HB2 GLN 25 1HB GLN 25 -5.420 -4.419 2.046
163 HB3 GLN 25 2HB GLN 25 -5.004 -3.330 3.363
164 HG2 GLN 25 1HG GLN 25 -5.995 -5.488 4.085
165 HG3 GLN 25 2HG GLN 25 -6.858 -4.063 4.660
166 HE21 GLN 25 1HE2 GLN 25 -8.964 -3.905 4.262
167 HE22 GLN 25 2HE2 GLN 25 -9.866 -4.948 3.221
168 H LEU 26 H LEU 26 -4.922 -2.860 0.332
169 HA LEU 26 HA LEU 26 -3.112 -0.924 0.695
170 HB2 LEU 26 1HB LEU 26 -2.826 -2.244 -1.199
171 HB3 LEU 26 2HB LEU 26 -4.430 -1.863 -1.823
172 HG LEU 26 HG LEU 26 -3.660 0.402 -2.383
173 HD11 LEU 26 1HD1 LEU 26 -1.156 0.764 -2.359
174 HD12 LEU 26 2HD1 LEU 26 -1.064 -0.605 -1.252
175 HD13 LEU 26 3HD1 LEU 26 -1.972 0.836 -0.797
176 HD21 LEU 26 3HD2 LEU 26 -1.597 -1.295 -3.643
177 HD22 LEU 26 1HD2 LEU 26 -2.813 -0.249 -4.375
178 HD23 LEU 26 2HD2 LEU 26 -3.266 -1.848 -3.787
179 H VAL 27 H VAL 27 -5.959 -0.270 -1.357
180 HA VAL 27 HA VAL 27 -5.764 2.393 -1.719
181 HB VAL 27 HB VAL 27 -8.374 1.103 -0.924
182 HG11 VAL 27 1HG1 VAL 27 -9.394 2.938 -1.691
183 HG12 VAL 27 2HG1 VAL 27 -7.814 3.714 -1.559
184 HG13 VAL 27 3HG1 VAL 27 -8.341 3.041 -3.102
185 HG21 VAL 27 3HG2 VAL 27 -8.116 -0.283 -2.647
186 HG22 VAL 27 1HG2 VAL 27 -8.172 1.126 -3.706
187 HG23 VAL 27 2HG2 VAL 27 -6.620 0.512 -3.137
188 H ILE 28 H ILE 28 -7.105 0.850 1.185
189 HA ILE 28 HA ILE 28 -7.796 3.206 2.544
190 HB ILE 28 HB ILE 28 -6.960 0.561 3.739
191 HG12 ILE 28 1HG1 ILE 28 -9.770 1.538 3.243
192 HG13 ILE 28 2HG1 ILE 28 -8.890 0.578 2.059
193 HG21 ILE 28 1HG2 ILE 28 -8.599 2.799 4.923
194 HG22 ILE 28 2HG2 ILE 28 -8.210 1.265 5.700
195 HG23 ILE 28 3HG2 ILE 28 -6.927 2.420 5.340
196 HD11 ILE 28 3HD1 ILE 28 -8.574 -1.108 3.961
197 HD12 ILE 28 1HD1 ILE 28 -9.858 -0.214 4.775
198 HD13 ILE 28 2HD1 ILE 28 -10.166 -0.976 3.214
199 H HIS 29 H HIS 29 -4.787 1.371 2.417
200 HA HIS 29 HA HIS 29 -3.432 2.768 4.460
201 HB2 HIS 29 1HB HIS 29 -2.498 0.699 3.809
202 HB3 HIS 29 2HB HIS 29 -2.494 1.142 2.104
203 HD1 HIS 29 HD1 HIS 29 -0.528 1.482 5.245
204 HD2 HIS 29 HD2 HIS 29 -0.339 2.776 1.302
205 HE1 HIS 29 HE1 HIS 29 1.799 2.389 4.946
206 H GLN 30 H GLN 30 -3.156 3.088 0.915
207 HA GLN 30 HA GLN 30 -1.429 5.110 0.610
208 HB2 GLN 30 1HB GLN 30 -4.112 4.880 -0.761
209 HB3 GLN 30 2HB GLN 30 -2.803 5.919 -1.308
210 HG2 GLN 30 1HG GLN 30 -1.398 4.016 -1.730
211 HG3 GLN 30 2HG GLN 30 -2.601 2.930 -1.037
212 HE21 GLN 30 1HE2 GLN 30 -1.354 3.182 -3.754
213 HE22 GLN 30 2HE2 GLN 30 -2.694 3.224 -4.844
214 H ARG 31 H ARG 31 -4.584 5.375 2.058
215 HA ARG 31 HA ARG 31 -5.013 8.115 1.942
216 HB2 ARG 31 1HB ARG 31 -5.692 6.214 4.194
217 HB3 ARG 31 2HB ARG 31 -6.377 7.819 3.980
218 HG2 ARG 31 1HG ARG 31 -7.290 7.073 1.792
219 HG3 ARG 31 2HG ARG 31 -6.718 5.445 2.164
220 HD2 ARG 31 1HD ARG 31 -8.914 5.354 2.869
221 HD3 ARG 31 2HD ARG 31 -8.068 5.760 4.362
222 HE ARG 31 HE ARG 31 -8.749 8.172 3.270
223 HH11 ARG 31 1HH1 ARG 31 -10.480 5.304 4.218
224 HH12 ARG 31 2HH1 ARG 31 -11.935 6.156 4.618
225 HH21 ARG 31 1HH2 ARG 31 -10.659 9.305 3.793
226 HH22 ARG 31 2HH2 ARG 31 -12.036 8.432 4.375
227 H ILE 32 H ILE 32 -3.431 6.284 4.563
228 HA ILE 32 HA ILE 32 -2.735 8.196 6.315
229 HB ILE 32 HB ILE 32 -0.870 6.929 6.989
230 HG12 ILE 32 1HG1 ILE 32 -0.789 5.770 4.195
231 HG13 ILE 32 2HG1 ILE 32 0.340 6.949 4.853
232 HG21 ILE 32 1HG2 ILE 32 -1.702 4.706 7.093
233 HG22 ILE 32 2HG2 ILE 32 -3.101 5.778 7.057
234 HG23 ILE 32 3HG2 ILE 32 -2.618 4.911 5.600
235 HD11 ILE 32 3HD1 ILE 32 -0.025 4.097 5.731
236 HD12 ILE 32 1HD1 ILE 32 1.362 4.793 4.894
237 HD13 ILE 32 2HD1 ILE 32 1.003 5.270 6.554
238 H HIS 33 H HIS 33 -1.454 7.852 3.091
239 HA HIS 33 HA HIS 33 0.644 9.801 3.508
240 HB2 HIS 33 1HB HIS 33 -0.340 8.448 0.987
241 HB3 HIS 33 2HB HIS 33 1.072 9.496 1.083
242 HD1 HIS 33 HD1 HIS 33 2.838 8.548 3.093
243 HD2 HIS 33 HD2 HIS 33 0.364 5.853 1.123
244 HE1 HIS 33 HE1 HIS 33 3.903 6.293 3.422
245 H THR 34 H THR 34 -2.330 9.612 1.558
246 HA THR 34 HA THR 34 -2.199 12.425 0.915
247 HB THR 34 HB THR 34 -4.355 12.040 -0.244
248 HG1 THR 34 HG1 THR 34 -4.933 10.262 1.291
249 HG21 THR 34 3HG2 THR 34 -3.494 10.506 -1.961
250 HG22 THR 34 1HG2 THR 34 -2.215 9.999 -0.858
251 HG23 THR 34 2HG2 THR 34 -2.266 11.661 -1.445
252 H GLY 35 H GLY 35 -2.398 13.552 2.839
253 HA2 GLY 35 1HA GLY 35 -4.810 13.076 4.446
254 HA3 GLY 35 2HA GLY 35 -3.408 14.007 4.951
255 H GLU 36 H GLU 36 -6.056 14.034 2.578
256 HA GLU 36 HA GLU 36 -5.989 16.521 1.571
257 HB2 GLU 36 1HB GLU 36 -7.813 14.737 1.323
258 HB3 GLU 36 2HB GLU 36 -8.559 15.470 2.735
259 HG2 GLU 36 1HG GLU 36 -9.636 16.427 0.893
260 HG3 GLU 36 2HG GLU 36 -8.508 17.655 1.462
261 H ASN 37 H ASN 37 -7.198 15.713 4.808
262 HA ASN 37 HA ASN 37 -7.310 18.578 5.442
263 HB2 ASN 37 1HB ASN 37 -9.300 16.998 5.851
264 HB3 ASN 37 2HB ASN 37 -8.354 16.360 7.192
265 HD21 ASN 37 1HD2 ASN 37 -8.477 17.357 9.081
266 HD22 ASN 37 2HD2 ASN 37 -9.177 18.913 9.351
267 HA PRO 38 HA PRO 38 -3.616 18.271 7.829
268 HB2 PRO 38 1HB PRO 38 -3.956 20.476 9.376
269 HB3 PRO 38 2HB PRO 38 -3.510 20.561 7.668
270 HG2 PRO 38 1HG PRO 38 -6.196 20.907 8.943
271 HG3 PRO 38 2HG PRO 38 -5.443 21.853 7.646
272 HD2 PRO 38 1HD PRO 38 -7.300 19.942 7.166
273 HD3 PRO 38 2HD PRO 38 -5.984 20.303 6.029
274 H SER 39 H SER 39 -3.512 16.652 9.271
275 HA SER 39 HA SER 39 -5.316 16.681 11.584
276 HB2 SER 39 1HB SER 39 -4.979 14.624 10.029
277 HB3 SER 39 2HB SER 39 -3.464 14.413 10.906
278 HG SER 39 HG SER 39 -4.570 13.598 12.481
279 H GLY 40 H GLY 40 -3.205 18.552 11.534
280 HA2 GLY 40 1HA GLY 40 -2.139 19.070 13.730
281 HA3 GLY 40 2HA GLY 40 -1.432 17.464 13.634
282 HA PRO 41 HA PRO 41 1.570 20.607 11.934
283 HB2 PRO 41 1HB PRO 41 3.651 19.857 13.508
284 HB3 PRO 41 2HB PRO 41 2.459 21.065 14.002
285 HG2 PRO 41 1HG PRO 41 2.624 18.163 14.719
286 HG3 PRO 41 2HG PRO 41 2.255 19.553 15.757
287 HD2 PRO 41 1HD PRO 41 0.333 17.921 14.771
288 HD3 PRO 41 2HD PRO 41 0.060 19.651 15.060
289 H SER 42 H SER 42 1.031 17.360 11.865
290 HA SER 42 HA SER 42 3.185 15.935 11.210
291 HB2 SER 42 1HB SER 42 0.537 16.090 9.791
292 HB3 SER 42 2HB SER 42 1.784 14.963 9.258
293 HG SER 42 HG SER 42 1.553 13.822 11.058
294 H SER 43 H SER 43 1.603 18.116 8.876
295 HA SER 43 HA SER 43 3.164 17.843 6.686
296 HB2 SER 43 1HB SER 43 2.113 20.412 7.887
297 HB3 SER 43 2HB SER 43 2.805 20.305 6.269
298 HG SER 43 HG SER 43 0.407 19.241 7.260
299 H GLY 44 H GLY 44 5.307 17.481 6.761
300 HA2 GLY 44 1HA GLY 44 6.980 19.346 8.311
301 HA3 GLY 44 2HA GLY 44 7.461 17.733 7.808
Start of MODEL 13
1 H1 GLY 1 H GLY 1 15.492 -8.301 -10.057
2 HA2 GLY 1 1HA GLY 1 15.230 -10.183 -12.084
3 HA3 GLY 1 2HA GLY 1 16.124 -10.968 -10.791
4 H SER 2 H SER 2 13.284 -11.152 -11.981
5 HA SER 2 HA SER 2 11.961 -11.403 -9.381
6 HB2 SER 2 1HB SER 2 10.989 -9.797 -11.725
7 HB3 SER 2 2HB SER 2 9.832 -10.546 -10.625
8 HG SER 2 HG SER 2 11.956 -8.931 -9.693
9 H SER 3 H SER 3 11.381 -13.453 -9.195
10 HA SER 3 HA SER 3 10.537 -14.907 -11.614
11 HB2 SER 3 1HB SER 3 11.761 -15.995 -9.067
12 HB3 SER 3 2HB SER 3 11.236 -16.969 -10.440
13 HG SER 3 HG SER 3 13.439 -16.585 -10.611
14 H GLY 4 H GLY 4 8.696 -16.189 -11.547
15 HA2 GLY 4 1HA GLY 4 7.022 -17.272 -10.023
16 HA3 GLY 4 2HA GLY 4 6.956 -15.718 -9.205
17 H SER 5 H SER 5 6.726 -16.916 -12.560
18 HA SER 5 HA SER 5 4.726 -14.895 -13.148
19 HB2 SER 5 1HB SER 5 6.358 -15.242 -14.867
20 HB3 SER 5 2HB SER 5 6.095 -16.985 -14.850
21 HG SER 5 HG SER 5 4.648 -14.989 -16.083
22 H SER 6 H SER 6 2.965 -15.565 -11.900
23 HA SER 6 HA SER 6 1.315 -17.567 -13.150
24 HB2 SER 6 1HB SER 6 2.578 -18.029 -10.476
25 HB3 SER 6 2HB SER 6 0.943 -18.624 -10.764
26 HG SER 6 HG SER 6 2.828 -19.166 -12.730
27 H GLY 7 H GLY 7 -0.849 -17.723 -11.994
28 HA2 GLY 7 1HA GLY 7 -2.200 -15.397 -11.939
29 HA3 GLY 7 2HA GLY 7 -2.647 -16.746 -10.905
30 H GLU 8 H GLU 8 -0.742 -16.839 -9.023
31 HA GLU 8 HA GLU 8 -1.436 -15.112 -7.084
32 HB2 GLU 8 1HB GLU 8 1.151 -16.493 -7.654
33 HB3 GLU 8 2HB GLU 8 1.087 -15.338 -6.330
34 HG2 GLU 8 1HG GLU 8 -0.973 -16.681 -5.557
35 HG3 GLU 8 2HG GLU 8 -0.363 -17.933 -6.637
36 H LYS 9 H LYS 9 -1.432 -12.988 -6.835
37 HA LYS 9 HA LYS 9 0.826 -11.380 -7.628
38 HB2 LYS 9 1HB LYS 9 -0.286 -11.386 -9.744
39 HB3 LYS 9 2HB LYS 9 -1.850 -11.095 -8.994
40 HG2 LYS 9 1HG LYS 9 -1.252 -9.040 -9.910
41 HG3 LYS 9 2HG LYS 9 -0.857 -8.881 -8.196
42 HD2 LYS 9 1HD LYS 9 1.420 -8.976 -8.578
43 HD3 LYS 9 2HD LYS 9 1.232 -9.828 -10.112
44 HE2 LYS 9 1HE LYS 9 0.392 -6.969 -9.662
45 HE3 LYS 9 2HE LYS 9 1.963 -7.439 -10.309
46 HZ1 LYS 9 3HZ LYS 9 0.681 -8.663 -12.074
47 HZ2 LYS 9 1HZ LYS 9 0.603 -6.975 -12.151
48 HZ3 LYS 9 2HZ LYS 9 -0.702 -7.854 -11.531
49 H LEU 10 H LEU 10 1.006 -9.563 -6.410
50 HA LEU 10 HA LEU 10 -1.275 -8.864 -4.684
51 HB2 LEU 10 1HB LEU 10 0.729 -8.134 -3.109
52 HB3 LEU 10 2HB LEU 10 0.043 -9.758 -3.078
53 HG LEU 10 HG LEU 10 2.500 -9.761 -2.983
54 HD11 LEU 10 1HD1 LEU 10 2.312 -10.968 -5.569
55 HD12 LEU 10 2HD1 LEU 10 0.834 -11.281 -4.659
56 HD13 LEU 10 3HD1 LEU 10 2.398 -11.735 -3.983
57 HD21 LEU 10 3HD2 LEU 10 2.457 -7.685 -4.669
58 HD22 LEU 10 1HD2 LEU 10 2.726 -8.987 -5.828
59 HD23 LEU 10 2HD2 LEU 10 3.853 -8.750 -4.492
60 H HIS 11 H HIS 11 -1.477 -6.672 -4.098
61 HA HIS 11 HA HIS 11 -0.258 -4.848 -6.024
62 HB2 HIS 11 1HB HIS 11 -2.700 -4.794 -4.314
63 HB3 HIS 11 2HB HIS 11 -1.976 -3.254 -4.768
64 HD2 HIS 11 HD2 HIS 11 -3.384 -6.427 -6.672
65 HE1 HIS 11 HE1 HIS 11 -3.858 -2.976 -9.093
66 HE2 HIS 11 HE2 HIS 11 -4.373 -5.428 -8.843
67 H GLU 12 H GLU 12 0.773 -2.913 -5.411
68 HA GLU 12 HA GLU 12 1.656 -2.799 -2.604
69 HB2 GLU 12 1HB GLU 12 3.885 -2.391 -3.214
70 HB3 GLU 12 2HB GLU 12 3.378 -3.700 -4.273
71 HG2 GLU 12 1HG GLU 12 3.266 -0.831 -5.134
72 HG3 GLU 12 2HG GLU 12 4.727 -1.804 -5.299
73 H CYS 13 H CYS 13 2.575 -0.631 -2.024
74 HA CYS 13 HA CYS 13 0.717 1.409 -2.830
75 HB2 CYS 13 1HB CYS 13 1.795 0.977 -0.483
76 HB3 CYS 13 2HB CYS 13 3.119 1.948 -1.119
77 H SER 14 H SER 14 1.721 3.708 -3.142
78 HA SER 14 HA SER 14 3.730 3.474 -5.283
79 HB2 SER 14 1HB SER 14 1.635 5.629 -4.916
80 HB3 SER 14 2HB SER 14 2.745 5.471 -6.277
81 HG SER 14 HG SER 14 1.142 4.369 -7.094
82 H GLU 15 H GLU 15 3.102 4.746 -2.199
83 HA GLU 15 HA GLU 15 5.234 6.749 -2.449
84 HB2 GLU 15 1HB GLU 15 2.894 6.419 -0.643
85 HB3 GLU 15 2HB GLU 15 4.330 7.178 0.028
86 HG2 GLU 15 1HG GLU 15 3.078 8.113 -2.531
87 HG3 GLU 15 2HG GLU 15 2.558 8.703 -0.953
88 H CYS 16 H CYS 16 4.191 4.033 -0.416
89 HA CYS 16 HA CYS 16 6.880 3.918 0.755
90 HB2 CYS 16 1HB CYS 16 5.879 2.441 2.449
91 HB3 CYS 16 2HB CYS 16 5.035 3.983 2.358
92 H ARG 17 H ARG 17 4.904 2.426 -1.561
93 HA ARG 17 HA ARG 17 5.145 0.589 -2.880
94 HB2 ARG 17 1HB ARG 17 7.977 0.689 -1.825
95 HB3 ARG 17 2HB ARG 17 7.441 -0.306 -3.172
96 HG2 ARG 17 1HG ARG 17 7.375 2.703 -3.070
97 HG3 ARG 17 2HG ARG 17 8.551 1.718 -3.942
98 HD2 ARG 17 1HD ARG 17 6.384 0.690 -5.027
99 HD3 ARG 17 2HD ARG 17 5.677 2.229 -4.538
100 HE ARG 17 HE ARG 17 6.908 3.285 -6.165
101 HH11 ARG 17 1HH1 ARG 17 8.068 0.030 -5.746
102 HH12 ARG 17 2HH1 ARG 17 9.088 0.074 -7.145
103 HH21 ARG 17 1HH2 ARG 17 8.248 3.355 -8.010
104 HH22 ARG 17 2HH2 ARG 17 9.190 1.966 -8.432
105 H LYS 18 H LYS 18 4.052 0.172 -0.339
106 HA LYS 18 HA LYS 18 5.211 -2.355 0.584
107 HB2 LYS 18 1HB LYS 18 4.607 -0.510 2.207
108 HB3 LYS 18 2HB LYS 18 2.921 -0.821 1.815
109 HG2 LYS 18 1HG LYS 18 3.363 -3.225 2.514
110 HG3 LYS 18 2HG LYS 18 4.875 -2.626 3.201
111 HD2 LYS 18 1HD LYS 18 3.491 -0.948 4.480
112 HD3 LYS 18 2HD LYS 18 2.064 -1.842 3.949
113 HE2 LYS 18 1HE LYS 18 2.646 -3.735 5.176
114 HE3 LYS 18 2HE LYS 18 4.333 -3.244 5.313
115 HZ1 LYS 18 3HZ LYS 18 3.077 -2.987 7.396
116 HZ2 LYS 18 1HZ LYS 18 2.066 -1.860 6.640
117 HZ3 LYS 18 2HZ LYS 18 3.711 -1.520 6.841
118 H THR 19 H THR 19 4.220 -4.282 0.340
119 HA THR 19 HA THR 19 2.004 -4.434 -1.500
120 HB THR 19 HB THR 19 2.324 -6.823 -1.467
121 HG1 THR 19 HG1 THR 19 3.585 -7.828 0.053
122 HG21 THR 19 3HG2 THR 19 3.910 -5.882 -2.886
123 HG22 THR 19 1HG2 THR 19 4.890 -6.893 -1.826
124 HG23 THR 19 2HG2 THR 19 4.811 -5.151 -1.558
125 H PHE 20 H PHE 20 0.076 -5.713 -1.076
126 HA PHE 20 HA PHE 20 -0.667 -5.974 1.740
127 HB2 PHE 20 1HB PHE 20 -2.227 -4.386 -0.306
128 HB3 PHE 20 2HB PHE 20 -2.871 -4.880 1.256
129 HD1 PHE 20 HD1 PHE 20 -0.069 -2.981 -0.280
130 HD2 PHE 20 HD2 PHE 20 -2.590 -3.518 3.107
131 HE1 PHE 20 HE1 PHE 20 0.883 -0.957 0.744
132 HE2 PHE 20 HE2 PHE 20 -1.643 -1.494 4.136
133 HZ PHE 20 HZ PHE 20 0.095 -0.210 2.955
134 H SER 21 H SER 21 -2.107 -7.601 2.164
135 HA SER 21 HA SER 21 -2.267 -9.758 0.426
136 HB2 SER 21 1HB SER 21 -3.955 -10.673 1.961
137 HB3 SER 21 2HB SER 21 -2.619 -9.946 2.855
138 HG SER 21 HG SER 21 -4.322 -9.072 3.829
139 H PHE 22 H PHE 22 -4.708 -7.271 1.116
140 HA PHE 22 HA PHE 22 -6.083 -8.065 -1.366
141 HB2 PHE 22 1HB PHE 22 -7.386 -6.917 1.110
142 HB3 PHE 22 2HB PHE 22 -8.204 -7.451 -0.355
143 HD1 PHE 22 HD2 PHE 22 -8.182 -9.882 -0.943
144 HD2 PHE 22 HD1 PHE 22 -6.839 -8.426 2.824
145 HE1 PHE 22 HE2 PHE 22 -8.407 -12.141 0.006
146 HE2 PHE 22 HE1 PHE 22 -7.061 -10.683 3.779
147 HZ PHE 22 HZ PHE 22 -7.847 -12.543 2.370
148 H HIS 23 H HIS 23 -6.230 -6.534 -2.866
149 HA HIS 23 HA HIS 23 -4.974 -4.114 -2.816
150 HB2 HIS 23 1HB HIS 23 -6.010 -5.278 -4.814
151 HB3 HIS 23 2HB HIS 23 -7.548 -4.572 -4.328
152 HD2 HIS 23 HD2 HIS 23 -6.955 -1.524 -3.931
153 HE1 HIS 23 HE1 HIS 23 -4.784 -1.655 -7.574
154 HE2 HIS 23 HE2 HIS 23 -5.845 -0.172 -5.836
155 H SER 24 H SER 24 -8.340 -4.766 -1.921
156 HA SER 24 HA SER 24 -9.349 -2.263 -1.568
157 HB2 SER 24 1HB SER 24 -10.700 -4.232 -1.156
158 HB3 SER 24 2HB SER 24 -9.715 -4.662 0.242
159 HG SER 24 HG SER 24 -10.723 -3.211 1.411
160 H GLN 25 H GLN 25 -7.241 -4.016 0.672
161 HA GLN 25 HA GLN 25 -7.275 -2.113 2.744
162 HB2 GLN 25 1HB GLN 25 -5.297 -4.242 1.957
163 HB3 GLN 25 2HB GLN 25 -5.031 -3.197 3.347
164 HG2 GLN 25 1HG GLN 25 -7.248 -3.967 4.228
165 HG3 GLN 25 2HG GLN 25 -7.272 -5.154 2.925
166 HE21 GLN 25 1HE2 GLN 25 -5.855 -4.231 5.939
167 HE22 GLN 25 2HE2 GLN 25 -4.982 -5.696 6.219
168 H LEU 26 H LEU 26 -4.753 -2.701 0.288
169 HA LEU 26 HA LEU 26 -2.959 -0.778 0.757
170 HB2 LEU 26 1HB LEU 26 -2.567 -2.045 -1.142
171 HB3 LEU 26 2HB LEU 26 -4.157 -1.701 -1.820
172 HG LEU 26 HG LEU 26 -3.402 0.617 -2.286
173 HD11 LEU 26 1HD1 LEU 26 -1.433 0.141 -0.491
174 HD12 LEU 26 2HD1 LEU 26 -1.394 1.427 -1.697
175 HD13 LEU 26 3HD1 LEU 26 -0.569 -0.100 -2.010
176 HD21 LEU 26 3HD2 LEU 26 -1.350 -0.658 -3.778
177 HD22 LEU 26 1HD2 LEU 26 -2.967 -0.191 -4.304
178 HD23 LEU 26 2HD2 LEU 26 -2.692 -1.790 -3.611
179 H VAL 27 H VAL 27 -5.659 -0.059 -1.460
180 HA VAL 27 HA VAL 27 -5.449 2.600 -1.754
181 HB VAL 27 HB VAL 27 -8.120 1.380 -1.079
182 HG11 VAL 27 1HG1 VAL 27 -9.033 3.209 -1.988
183 HG12 VAL 27 2HG1 VAL 27 -7.439 3.940 -1.788
184 HG13 VAL 27 3HG1 VAL 27 -7.892 3.219 -3.333
185 HG21 VAL 27 3HG2 VAL 27 -6.274 0.621 -3.155
186 HG22 VAL 27 1HG2 VAL 27 -7.832 -0.085 -2.727
187 HG23 VAL 27 2HG2 VAL 27 -7.758 1.275 -3.848
188 H ILE 28 H ILE 28 -6.852 1.009 1.085
189 HA ILE 28 HA ILE 28 -7.605 3.369 2.438
190 HB ILE 28 HB ILE 28 -6.890 0.679 3.613
191 HG12 ILE 28 1HG1 ILE 28 -9.657 1.740 3.071
192 HG13 ILE 28 2HG1 ILE 28 -8.765 0.834 1.854
193 HG21 ILE 28 1HG2 ILE 28 -6.879 2.091 5.438
194 HG22 ILE 28 2HG2 ILE 28 -8.109 3.154 4.756
195 HG23 ILE 28 3HG2 ILE 28 -8.564 1.573 5.393
196 HD11 ILE 28 3HD1 ILE 28 -9.820 -0.915 2.773
197 HD12 ILE 28 1HD1 ILE 28 -8.521 -0.822 3.962
198 HD13 ILE 28 2HD1 ILE 28 -10.087 -0.086 4.306
199 H HIS 29 H HIS 29 -4.632 1.472 2.420
200 HA HIS 29 HA HIS 29 -3.351 2.821 4.548
201 HB2 HIS 29 1HB HIS 29 -2.418 0.743 3.965
202 HB3 HIS 29 2HB HIS 29 -2.359 1.149 2.252
203 HD1 HIS 29 HD1 HIS 29 -0.490 1.577 5.452
204 HD2 HIS 29 HD2 HIS 29 -0.129 2.659 1.457
205 HE1 HIS 29 HE1 HIS 29 1.867 2.413 5.193
206 H GLN 30 H GLN 30 -3.017 3.188 1.018
207 HA GLN 30 HA GLN 30 -1.177 5.133 0.776
208 HB2 GLN 30 1HB GLN 30 -3.842 5.069 -0.649
209 HB3 GLN 30 2HB GLN 30 -2.447 6.006 -1.167
210 HG2 GLN 30 1HG GLN 30 -1.196 4.041 -1.630
211 HG3 GLN 30 2HG GLN 30 -2.409 3.017 -0.864
212 HE21 GLN 30 1HE2 GLN 30 -1.519 2.530 -3.419
213 HE22 GLN 30 2HE2 GLN 30 -2.797 2.835 -4.540
214 H ARG 31 H ARG 31 -4.286 5.478 2.262
215 HA ARG 31 HA ARG 31 -4.615 8.250 2.151
216 HB2 ARG 31 1HB ARG 31 -5.421 6.379 4.386
217 HB3 ARG 31 2HB ARG 31 -6.071 7.989 4.102
218 HG2 ARG 31 1HG ARG 31 -7.024 7.259 1.993
219 HG3 ARG 31 2HG ARG 31 -6.325 5.654 2.218
220 HD2 ARG 31 1HD ARG 31 -7.746 5.167 4.019
221 HD3 ARG 31 2HD ARG 31 -8.181 6.861 4.244
222 HE ARG 31 HE ARG 31 -9.341 4.998 2.371
223 HH11 ARG 31 1HH1 ARG 31 -8.853 8.344 3.199
224 HH12 ARG 31 2HH1 ARG 31 -10.225 8.902 2.300
225 HH21 ARG 31 1HH2 ARG 31 -11.150 5.721 1.184
226 HH22 ARG 31 2HH2 ARG 31 -11.531 7.409 1.155
227 H ILE 32 H ILE 32 -3.180 6.293 4.766
228 HA ILE 32 HA ILE 32 -2.441 8.109 6.588
229 HB ILE 32 HB ILE 32 -0.632 6.760 7.243
230 HG12 ILE 32 1HG1 ILE 32 -0.513 5.673 4.421
231 HG13 ILE 32 2HG1 ILE 32 0.595 6.864 5.094
232 HG21 ILE 32 1HG2 ILE 32 -2.958 5.680 7.072
233 HG22 ILE 32 2HG2 ILE 32 -2.274 4.759 5.733
234 HG23 ILE 32 3HG2 ILE 32 -1.569 4.629 7.345
235 HD11 ILE 32 3HD1 ILE 32 1.525 4.591 5.051
236 HD12 ILE 32 1HD1 ILE 32 1.423 5.256 6.681
237 HD13 ILE 32 2HD1 ILE 32 0.240 4.066 6.138
238 H HIS 33 H HIS 33 -1.104 7.840 3.375
239 HA HIS 33 HA HIS 33 1.061 9.678 3.880
240 HB2 HIS 33 1HB HIS 33 -0.021 8.582 1.276
241 HB3 HIS 33 2HB HIS 33 1.467 9.506 1.451
242 HD1 HIS 33 HD1 HIS 33 2.980 8.211 3.599
243 HD2 HIS 33 HD2 HIS 33 0.645 5.992 0.975
244 HE1 HIS 33 HE1 HIS 33 3.907 5.875 3.685
245 H THR 34 H THR 34 -1.917 9.777 1.924
246 HA THR 34 HA THR 34 -2.101 12.650 2.441
247 HB THR 34 HB THR 34 -0.955 12.529 0.296
248 HG1 THR 34 HG1 THR 34 -2.284 14.227 0.201
249 HG21 THR 34 3HG2 THR 34 -1.638 11.275 -1.518
250 HG22 THR 34 1HG2 THR 34 -3.309 11.186 -0.962
251 HG23 THR 34 2HG2 THR 34 -2.067 10.205 -0.184
252 H GLY 35 H GLY 35 -4.150 13.354 2.733
253 HA2 GLY 35 1HA GLY 35 -6.472 12.421 1.562
254 HA3 GLY 35 2HA GLY 35 -6.236 11.431 2.995
255 H GLU 36 H GLU 36 -6.379 12.383 5.051
256 HA GLU 36 HA GLU 36 -8.364 14.210 5.478
257 HB2 GLU 36 1HB GLU 36 -6.046 13.293 7.109
258 HB3 GLU 36 2HB GLU 36 -6.954 14.684 7.685
259 HG2 GLU 36 1HG GLU 36 -7.940 11.888 7.225
260 HG3 GLU 36 2HG GLU 36 -7.886 12.796 8.735
261 H ASN 37 H ASN 37 -4.874 14.942 5.583
262 HA ASN 37 HA ASN 37 -5.219 17.736 5.830
263 HB2 ASN 37 1HB ASN 37 -3.139 16.467 6.426
264 HB3 ASN 37 2HB ASN 37 -2.813 16.292 4.703
265 HD21 ASN 37 1HD2 ASN 37 -2.214 18.112 7.391
266 HD22 ASN 37 2HD2 ASN 37 -1.663 19.563 6.630
267 HA PRO 38 HA PRO 38 -6.253 18.877 1.700
268 HB2 PRO 38 1HB PRO 38 -5.538 21.493 1.814
269 HB3 PRO 38 2HB PRO 38 -6.989 20.859 2.598
270 HG2 PRO 38 1HG PRO 38 -4.309 21.468 3.783
271 HG3 PRO 38 2HG PRO 38 -5.923 21.814 4.431
272 HD2 PRO 38 1HD PRO 38 -4.434 19.716 5.275
273 HD3 PRO 38 2HD PRO 38 -6.207 19.665 5.214
274 H SER 39 H SER 39 -5.286 19.750 -0.265
275 HA SER 39 HA SER 39 -2.613 18.817 -0.627
276 HB2 SER 39 1HB SER 39 -4.593 20.205 -2.428
277 HB3 SER 39 2HB SER 39 -2.953 19.838 -2.962
278 HG SER 39 HG SER 39 -4.964 18.021 -2.137
279 H GLY 40 H GLY 40 -4.073 22.050 -1.054
280 HA2 GLY 40 1HA GLY 40 -1.641 23.257 0.017
281 HA3 GLY 40 2HA GLY 40 -2.047 23.655 -1.646
282 HA PRO 41 HA PRO 41 -4.050 26.809 1.075
283 HB2 PRO 41 1HB PRO 41 -3.377 28.919 -0.494
284 HB3 PRO 41 2HB PRO 41 -2.306 28.270 0.753
285 HG2 PRO 41 1HG PRO 41 -2.280 27.792 -2.202
286 HG3 PRO 41 2HG PRO 41 -0.920 28.091 -1.105
287 HD2 PRO 41 1HD PRO 41 -1.579 25.610 -1.967
288 HD3 PRO 41 2HD PRO 41 -0.874 25.909 -0.365
289 H SER 42 H SER 42 -6.147 27.258 0.831
290 HA SER 42 HA SER 42 -7.249 28.011 -1.726
291 HB2 SER 42 1HB SER 42 -8.991 26.211 -1.683
292 HB3 SER 42 2HB SER 42 -7.361 25.613 -1.990
293 HG SER 42 HG SER 42 -8.519 25.667 0.593
294 H SER 43 H SER 43 -9.058 29.242 -1.521
295 HA SER 43 HA SER 43 -9.921 29.817 1.220
296 HB2 SER 43 1HB SER 43 -9.107 31.643 -0.387
297 HB3 SER 43 2HB SER 43 -10.636 31.416 -1.236
298 HG SER 43 HG SER 43 -11.434 31.661 1.143
299 H GLY 44 H GLY 44 -11.429 28.266 1.682
300 HA2 GLY 44 1HA GLY 44 -13.548 27.374 1.760
301 HA3 GLY 44 2HA GLY 44 -14.052 28.645 0.656
Start of MODEL 14
1 H1 GLY 1 H GLY 1 19.294 -10.838 -11.957
2 HA2 GLY 1 1HA GLY 1 20.943 -11.647 -9.758
3 HA3 GLY 1 2HA GLY 1 19.682 -10.529 -9.261
4 H SER 2 H SER 2 18.760 -12.171 -7.955
5 HA SER 2 HA SER 2 18.037 -14.717 -8.678
6 HB2 SER 2 1HB SER 2 17.766 -13.743 -6.403
7 HB3 SER 2 2HB SER 2 16.364 -12.844 -6.985
8 HG SER 2 HG SER 2 16.585 -15.667 -7.122
9 H SER 3 H SER 3 15.778 -15.541 -9.080
10 HA SER 3 HA SER 3 14.368 -13.823 -11.013
11 HB2 SER 3 1HB SER 3 13.939 -15.799 -12.402
12 HB3 SER 3 2HB SER 3 15.672 -15.549 -12.197
13 HG SER 3 HG SER 3 14.010 -17.516 -11.067
14 H GLY 4 H GLY 4 12.104 -14.187 -11.229
15 HA2 GLY 4 1HA GLY 4 10.925 -15.321 -8.782
16 HA3 GLY 4 2HA GLY 4 10.175 -14.106 -9.806
17 H SER 5 H SER 5 10.133 -17.304 -8.955
18 HA SER 5 HA SER 5 9.415 -18.430 -11.503
19 HB2 SER 5 1HB SER 5 8.810 -20.442 -10.122
20 HB3 SER 5 2HB SER 5 10.469 -19.885 -9.899
21 HG SER 5 HG SER 5 9.848 -18.922 -7.968
22 H SER 6 H SER 6 7.616 -17.926 -8.462
23 HA SER 6 HA SER 6 5.096 -18.227 -9.871
24 HB2 SER 6 1HB SER 6 5.606 -17.606 -6.951
25 HB3 SER 6 2HB SER 6 4.066 -18.088 -7.663
26 HG SER 6 HG SER 6 6.360 -19.613 -7.166
27 H GLY 7 H GLY 7 3.325 -16.581 -9.060
28 HA2 GLY 7 1HA GLY 7 4.285 -13.860 -8.809
29 HA3 GLY 7 2HA GLY 7 3.540 -14.230 -10.357
30 H GLU 8 H GLU 8 2.925 -14.481 -6.861
31 HA GLU 8 HA GLU 8 0.165 -14.855 -7.005
32 HB2 GLU 8 1HB GLU 8 1.723 -13.405 -4.857
33 HB3 GLU 8 2HB GLU 8 0.099 -14.057 -4.687
34 HG2 GLU 8 1HG GLU 8 0.823 -16.213 -4.552
35 HG3 GLU 8 2HG GLU 8 2.266 -15.907 -5.517
36 H LYS 9 H LYS 9 -1.370 -13.120 -5.953
37 HA LYS 9 HA LYS 9 -1.137 -10.725 -7.634
38 HB2 LYS 9 1HB LYS 9 -3.602 -10.480 -7.098
39 HB3 LYS 9 2HB LYS 9 -3.163 -11.871 -8.080
40 HG2 LYS 9 1HG LYS 9 -3.676 -13.368 -6.442
41 HG3 LYS 9 2HG LYS 9 -3.310 -12.237 -5.138
42 HD2 LYS 9 1HD LYS 9 -5.366 -11.103 -5.415
43 HD3 LYS 9 2HD LYS 9 -5.674 -11.888 -6.967
44 HE2 LYS 9 1HE LYS 9 -5.457 -13.420 -4.388
45 HE3 LYS 9 2HE LYS 9 -6.982 -12.749 -4.966
46 HZ1 LYS 9 3HZ LYS 9 -6.725 -14.050 -6.999
47 HZ2 LYS 9 1HZ LYS 9 -6.751 -15.047 -5.632
48 HZ3 LYS 9 2HZ LYS 9 -5.286 -14.715 -6.409
49 H LEU 10 H LEU 10 0.220 -9.496 -6.312
50 HA LEU 10 HA LEU 10 -1.010 -8.584 -3.794
51 HB2 LEU 10 1HB LEU 10 1.286 -8.097 -3.007
52 HB3 LEU 10 2HB LEU 10 0.971 -9.811 -3.268
53 HG LEU 10 HG LEU 10 2.278 -8.266 -5.453
54 HD11 LEU 10 1HD1 LEU 10 3.325 -7.849 -3.060
55 HD12 LEU 10 2HD1 LEU 10 4.332 -8.115 -4.483
56 HD13 LEU 10 3HD1 LEU 10 4.025 -9.440 -3.360
57 HD21 LEU 10 3HD2 LEU 10 1.623 -10.631 -5.720
58 HD22 LEU 10 1HD2 LEU 10 2.684 -11.054 -4.376
59 HD23 LEU 10 2HD2 LEU 10 3.364 -10.386 -5.859
60 H HIS 11 H HIS 11 -1.366 -6.458 -3.581
61 HA HIS 11 HA HIS 11 -0.435 -4.704 -5.747
62 HB2 HIS 11 1HB HIS 11 -2.866 -4.752 -4.022
63 HB3 HIS 11 2HB HIS 11 -2.282 -3.186 -4.578
64 HD2 HIS 11 HD2 HIS 11 -2.704 -6.547 -6.642
65 HE1 HIS 11 HE1 HIS 11 -4.714 -3.376 -8.619
66 HE2 HIS 11 HE2 HIS 11 -4.154 -5.832 -8.661
67 H GLU 12 H GLU 12 1.354 -3.625 -5.239
68 HA GLU 12 HA GLU 12 1.870 -2.875 -2.468
69 HB2 GLU 12 1HB GLU 12 4.105 -2.617 -3.052
70 HB3 GLU 12 2HB GLU 12 3.586 -3.928 -4.102
71 HG2 GLU 12 1HG GLU 12 3.218 -2.221 -5.897
72 HG3 GLU 12 2HG GLU 12 3.989 -1.042 -4.837
73 H CYS 13 H CYS 13 2.577 -0.701 -1.934
74 HA CYS 13 HA CYS 13 0.840 1.272 -3.066
75 HB2 CYS 13 1HB CYS 13 1.728 1.013 -0.612
76 HB3 CYS 13 2HB CYS 13 3.090 1.957 -1.209
77 H SER 14 H SER 14 1.885 3.551 -3.444
78 HA SER 14 HA SER 14 4.042 3.167 -5.412
79 HB2 SER 14 1HB SER 14 2.132 3.940 -6.573
80 HB3 SER 14 2HB SER 14 1.736 5.108 -5.311
81 HG SER 14 HG SER 14 3.024 5.635 -7.460
82 H GLU 15 H GLU 15 3.015 4.939 -2.608
83 HA GLU 15 HA GLU 15 5.228 6.816 -2.780
84 HB2 GLU 15 1HB GLU 15 2.885 6.476 -0.942
85 HB3 GLU 15 2HB GLU 15 4.252 7.463 -0.444
86 HG2 GLU 15 1HG GLU 15 2.520 7.875 -2.868
87 HG3 GLU 15 2HG GLU 15 2.551 8.859 -1.406
88 H CYS 16 H CYS 16 4.126 4.227 -0.607
89 HA CYS 16 HA CYS 16 6.776 4.202 0.652
90 HB2 CYS 16 1HB CYS 16 5.767 2.936 2.444
91 HB3 CYS 16 2HB CYS 16 4.761 4.343 2.114
92 H ARG 17 H ARG 17 4.861 2.522 -1.603
93 HA ARG 17 HA ARG 17 5.160 0.606 -2.791
94 HB2 ARG 17 1HB ARG 17 7.974 0.809 -1.703
95 HB3 ARG 17 2HB ARG 17 7.467 -0.249 -3.013
96 HG2 ARG 17 1HG ARG 17 7.279 2.755 -3.073
97 HG3 ARG 17 2HG ARG 17 8.591 1.810 -3.782
98 HD2 ARG 17 1HD ARG 17 6.598 0.568 -4.973
99 HD3 ARG 17 2HD ARG 17 5.753 2.080 -4.645
100 HE ARG 17 HE ARG 17 7.058 3.125 -6.223
101 HH11 ARG 17 1HH1 ARG 17 8.358 -0.027 -5.523
102 HH12 ARG 17 2HH1 ARG 17 9.485 0.001 -6.838
103 HH21 ARG 17 1HH2 ARG 17 8.537 3.175 -7.959
104 HH22 ARG 17 2HH2 ARG 17 9.587 1.824 -8.223
105 H LYS 18 H LYS 18 3.969 0.285 -0.329
106 HA LYS 18 HA LYS 18 5.197 -2.097 0.854
107 HB2 LYS 18 1HB LYS 18 4.364 -0.136 2.262
108 HB3 LYS 18 2HB LYS 18 2.738 -0.659 1.843
109 HG2 LYS 18 1HG LYS 18 3.462 -2.947 2.766
110 HG3 LYS 18 2HG LYS 18 4.793 -2.058 3.509
111 HD2 LYS 18 1HD LYS 18 3.319 -0.735 4.795
112 HD3 LYS 18 2HD LYS 18 1.919 -1.236 3.845
113 HE2 LYS 18 1HE LYS 18 3.519 -3.273 5.337
114 HE3 LYS 18 2HE LYS 18 2.347 -2.278 6.198
115 HZ1 LYS 18 3HZ LYS 18 1.900 -4.517 4.505
116 HZ2 LYS 18 1HZ LYS 18 1.035 -3.171 3.955
117 HZ3 LYS 18 2HZ LYS 18 0.820 -3.724 5.538
118 H THR 19 H THR 19 4.395 -4.085 0.569
119 HA THR 19 HA THR 19 2.234 -4.462 -1.302
120 HB THR 19 HB THR 19 2.758 -6.796 -1.242
121 HG1 THR 19 HG1 THR 19 3.874 -6.129 1.232
122 HG21 THR 19 3HG2 THR 19 5.535 -6.057 -0.936
123 HG22 THR 19 1HG2 THR 19 4.648 -4.833 -1.844
124 HG23 THR 19 2HG2 THR 19 4.650 -6.509 -2.392
125 H PHE 20 H PHE 20 0.347 -5.733 -0.901
126 HA PHE 20 HA PHE 20 -0.415 -6.034 1.914
127 HB2 PHE 20 1HB PHE 20 -2.048 -4.615 -0.199
128 HB3 PHE 20 2HB PHE 20 -2.671 -5.097 1.376
129 HD1 PHE 20 HD1 PHE 20 -0.039 -3.036 -0.240
130 HD2 PHE 20 HD2 PHE 20 -2.448 -3.688 3.208
131 HE1 PHE 20 HE1 PHE 20 0.766 -0.918 0.718
132 HE2 PHE 20 HE2 PHE 20 -1.648 -1.570 4.171
133 HZ PHE 20 HZ PHE 20 -0.040 -0.181 2.926
134 H SER 21 H SER 21 -2.281 -7.446 2.228
135 HA SER 21 HA SER 21 -2.067 -9.823 0.739
136 HB2 SER 21 1HB SER 21 -4.332 -8.978 2.563
137 HB3 SER 21 2HB SER 21 -3.943 -10.628 2.075
138 HG SER 21 HG SER 21 -2.309 -8.891 3.616
139 H PHE 22 H PHE 22 -4.528 -7.269 0.738
140 HA PHE 22 HA PHE 22 -5.361 -8.172 -1.924
141 HB2 PHE 22 1HB PHE 22 -7.268 -7.475 0.320
142 HB3 PHE 22 2HB PHE 22 -7.729 -7.843 -1.339
143 HD1 PHE 22 HD2 PHE 22 -6.832 -10.166 -2.225
144 HD2 PHE 22 HD1 PHE 22 -7.362 -9.156 1.876
145 HE1 PHE 22 HE2 PHE 22 -6.965 -12.556 -1.658
146 HE2 PHE 22 HE1 PHE 22 -7.495 -11.545 2.450
147 HZ PHE 22 HZ PHE 22 -7.298 -13.249 0.682
148 H HIS 23 H HIS 23 -6.287 -6.543 -3.244
149 HA HIS 23 HA HIS 23 -5.085 -4.056 -3.135
150 HB2 HIS 23 1HB HIS 23 -6.298 -5.193 -5.095
151 HB3 HIS 23 2HB HIS 23 -7.769 -4.485 -4.433
152 HD2 HIS 23 HD2 HIS 23 -6.247 -1.532 -3.728
153 HE1 HIS 23 HE1 HIS 23 -5.875 -1.417 -7.953
154 HE2 HIS 23 HE2 HIS 23 -5.726 -0.094 -5.815
155 H SER 24 H SER 24 -8.447 -4.857 -2.261
156 HA SER 24 HA SER 24 -9.527 -2.531 -1.542
157 HB2 SER 24 1HB SER 24 -10.648 -3.695 0.374
158 HB3 SER 24 2HB SER 24 -10.711 -4.597 -1.140
159 HG SER 24 HG SER 24 -10.053 -6.077 0.300
160 H GLN 25 H GLN 25 -7.351 -4.340 0.624
161 HA GLN 25 HA GLN 25 -7.264 -2.491 2.700
162 HB2 GLN 25 1HB GLN 25 -5.476 -4.673 1.753
163 HB3 GLN 25 2HB GLN 25 -4.815 -3.528 2.914
164 HG2 GLN 25 1HG GLN 25 -7.460 -4.760 3.479
165 HG3 GLN 25 2HG GLN 25 -6.007 -5.735 3.687
166 HE21 GLN 25 1HE2 GLN 25 -7.742 -5.033 5.769
167 HE22 GLN 25 2HE2 GLN 25 -6.889 -4.008 6.867
168 H LEU 26 H LEU 26 -4.823 -2.911 0.129
169 HA LEU 26 HA LEU 26 -3.101 -0.918 0.584
170 HB2 LEU 26 1HB LEU 26 -2.721 -2.142 -1.350
171 HB3 LEU 26 2HB LEU 26 -4.339 -1.835 -1.978
172 HG LEU 26 HG LEU 26 -3.675 0.511 -2.418
173 HD11 LEU 26 1HD1 LEU 26 -1.018 0.649 -2.505
174 HD12 LEU 26 2HD1 LEU 26 -1.187 -0.438 -1.127
175 HD13 LEU 26 3HD1 LEU 26 -1.950 1.151 -1.095
176 HD21 LEU 26 3HD2 LEU 26 -2.777 0.013 -4.456
177 HD22 LEU 26 1HD2 LEU 26 -3.338 -1.591 -3.983
178 HD23 LEU 26 2HD2 LEU 26 -1.638 -1.161 -3.794
179 H VAL 27 H VAL 27 -5.934 -0.300 -1.495
180 HA VAL 27 HA VAL 27 -5.852 2.371 -1.774
181 HB VAL 27 HB VAL 27 -8.411 0.967 -1.005
182 HG11 VAL 27 1HG1 VAL 27 -8.342 3.019 -3.118
183 HG12 VAL 27 2HG1 VAL 27 -9.528 2.739 -1.842
184 HG13 VAL 27 3HG1 VAL 27 -8.028 3.595 -1.481
185 HG21 VAL 27 3HG2 VAL 27 -8.198 1.075 -3.794
186 HG22 VAL 27 1HG2 VAL 27 -6.642 0.474 -3.220
187 HG23 VAL 27 2HG2 VAL 27 -8.130 -0.359 -2.769
188 H ILE 28 H ILE 28 -7.006 0.686 1.119
189 HA ILE 28 HA ILE 28 -7.831 2.977 2.538
190 HB ILE 28 HB ILE 28 -6.839 0.356 3.664
191 HG12 ILE 28 1HG1 ILE 28 -9.713 1.153 3.259
192 HG13 ILE 28 2HG1 ILE 28 -8.801 0.347 1.987
193 HG21 ILE 28 1HG2 ILE 28 -8.713 2.325 4.949
194 HG22 ILE 28 2HG2 ILE 28 -7.924 0.931 5.684
195 HG23 ILE 28 3HG2 ILE 28 -6.971 2.341 5.222
196 HD11 ILE 28 3HD1 ILE 28 -9.136 -1.623 2.927
197 HD12 ILE 28 1HD1 ILE 28 -8.494 -1.056 4.469
198 HD13 ILE 28 2HD1 ILE 28 -10.202 -0.832 4.088
199 H HIS 29 H HIS 29 -4.743 1.267 2.378
200 HA HIS 29 HA HIS 29 -3.427 2.688 4.417
201 HB2 HIS 29 1HB HIS 29 -2.359 0.718 3.733
202 HB3 HIS 29 2HB HIS 29 -2.480 1.134 2.026
203 HD1 HIS 29 HD1 HIS 29 -0.422 1.791 5.084
204 HD2 HIS 29 HD2 HIS 29 -0.423 2.740 1.039
205 HE1 HIS 29 HE1 HIS 29 1.836 2.801 4.629
206 H GLN 30 H GLN 30 -3.139 3.103 0.882
207 HA GLN 30 HA GLN 30 -1.547 5.220 0.613
208 HB2 GLN 30 1HB GLN 30 -4.234 4.887 -0.728
209 HB3 GLN 30 2HB GLN 30 -3.003 6.027 -1.254
210 HG2 GLN 30 1HG GLN 30 -1.536 4.310 -1.900
211 HG3 GLN 30 2HG GLN 30 -2.463 3.085 -1.035
212 HE21 GLN 30 1HE2 GLN 30 -1.827 2.572 -3.575
213 HE22 GLN 30 2HE2 GLN 30 -3.209 2.704 -4.603
214 H ARG 31 H ARG 31 -4.754 5.326 2.011
215 HA ARG 31 HA ARG 31 -5.286 8.032 2.011
216 HB2 ARG 31 1HB ARG 31 -5.845 6.058 4.233
217 HB3 ARG 31 2HB ARG 31 -6.621 7.625 4.042
218 HG2 ARG 31 1HG ARG 31 -7.514 6.859 1.859
219 HG3 ARG 31 2HG ARG 31 -6.835 5.264 2.189
220 HD2 ARG 31 1HD ARG 31 -9.055 5.077 2.876
221 HD3 ARG 31 2HD ARG 31 -8.173 5.368 4.375
222 HE ARG 31 HE ARG 31 -9.242 7.729 3.089
223 HH11 ARG 31 1HH1 ARG 31 -9.745 5.204 5.433
224 HH12 ARG 31 2HH1 ARG 31 -10.933 6.092 6.328
225 HH21 ARG 31 1HH2 ARG 31 -10.805 8.908 4.259
226 HH22 ARG 31 2HH2 ARG 31 -11.536 8.199 5.659
227 H ILE 32 H ILE 32 -3.629 6.224 4.604
228 HA ILE 32 HA ILE 32 -2.993 8.132 6.376
229 HB ILE 32 HB ILE 32 -1.080 6.927 7.026
230 HG12 ILE 32 1HG1 ILE 32 -0.957 5.718 4.256
231 HG13 ILE 32 2HG1 ILE 32 0.055 7.048 4.808
232 HG21 ILE 32 1HG2 ILE 32 -3.269 5.690 7.074
233 HG22 ILE 32 2HG2 ILE 32 -2.746 4.863 5.607
234 HG23 ILE 32 3HG2 ILE 32 -1.827 4.674 7.100
235 HD11 ILE 32 3HD1 ILE 32 1.425 5.215 5.067
236 HD12 ILE 32 1HD1 ILE 32 0.754 5.419 6.685
237 HD13 ILE 32 2HD1 ILE 32 0.108 4.177 5.612
238 H HIS 33 H HIS 33 -1.668 7.856 3.155
239 HA HIS 33 HA HIS 33 0.335 9.894 3.596
240 HB2 HIS 33 1HB HIS 33 -0.581 8.541 1.049
241 HB3 HIS 33 2HB HIS 33 0.801 9.624 1.182
242 HD1 HIS 33 HD1 HIS 33 2.451 8.650 3.361
243 HD2 HIS 33 HD2 HIS 33 0.303 6.001 0.989
244 HE1 HIS 33 HE1 HIS 33 3.599 6.429 3.626
245 H THR 34 H THR 34 -2.598 9.602 1.593
246 HA THR 34 HA THR 34 -2.601 12.314 0.773
247 HB THR 34 HB THR 34 -4.919 11.897 0.030
248 HG1 THR 34 HG1 THR 34 -5.769 10.522 1.516
249 HG21 THR 34 3HG2 THR 34 -4.386 10.373 -1.684
250 HG22 THR 34 1HG2 THR 34 -3.246 9.495 -0.665
251 HG23 THR 34 2HG2 THR 34 -2.847 11.113 -1.245
252 H GLY 35 H GLY 35 -2.351 13.563 2.665
253 HA2 GLY 35 1HA GLY 35 -4.524 14.777 3.736
254 HA3 GLY 35 2HA GLY 35 -4.300 13.387 4.788
255 H GLU 36 H GLU 36 -2.213 13.169 5.874
256 HA GLU 36 HA GLU 36 -0.649 15.628 6.072
257 HB2 GLU 36 1HB GLU 36 -2.217 14.376 8.304
258 HB3 GLU 36 2HB GLU 36 -0.738 15.263 8.648
259 HG2 GLU 36 1HG GLU 36 -3.140 16.370 7.211
260 HG3 GLU 36 2HG GLU 36 -2.739 16.647 8.905
261 H ASN 37 H ASN 37 1.292 15.273 7.546
262 HA ASN 37 HA ASN 37 2.356 12.582 7.022
263 HB2 ASN 37 1HB ASN 37 3.984 15.044 7.645
264 HB3 ASN 37 2HB ASN 37 4.533 13.535 6.922
265 HD21 ASN 37 1HD2 ASN 37 4.517 16.438 6.069
266 HD22 ASN 37 2HD2 ASN 37 3.865 16.399 4.469
267 HA PRO 38 HA PRO 38 1.849 12.607 11.586
268 HB2 PRO 38 1HB PRO 38 1.355 9.943 11.752
269 HB3 PRO 38 2HB PRO 38 0.098 11.133 11.392
270 HG2 PRO 38 1HG PRO 38 1.624 9.363 9.520
271 HG3 PRO 38 2HG PRO 38 -0.106 9.751 9.532
272 HD2 PRO 38 1HD PRO 38 1.643 10.946 7.845
273 HD3 PRO 38 2HD PRO 38 0.213 11.780 8.486
274 H SER 39 H SER 39 4.061 13.035 11.919
275 HA SER 39 HA SER 39 5.804 10.659 11.928
276 HB2 SER 39 1HB SER 39 7.706 12.275 11.805
277 HB3 SER 39 2HB SER 39 6.652 12.329 10.392
278 HG SER 39 HG SER 39 6.045 14.291 10.909
279 H GLY 40 H GLY 40 6.694 10.020 13.804
280 HA2 GLY 40 1HA GLY 40 7.208 11.746 16.000
281 HA3 GLY 40 2HA GLY 40 5.716 10.857 16.263
282 HA PRO 41 HA PRO 41 9.443 7.726 16.107
283 HB2 PRO 41 1HB PRO 41 11.837 8.830 16.756
284 HB3 PRO 41 2HB PRO 41 11.263 8.692 15.090
285 HG2 PRO 41 1HG PRO 41 11.200 11.056 16.926
286 HG3 PRO 41 2HG PRO 41 11.624 10.987 15.206
287 HD2 PRO 41 1HD PRO 41 9.198 11.817 16.075
288 HD3 PRO 41 2HD PRO 41 9.420 10.966 14.533
289 H SER 42 H SER 42 10.283 6.589 17.892
290 HA SER 42 HA SER 42 9.141 7.156 20.373
291 HB2 SER 42 1HB SER 42 11.541 5.401 19.795
292 HB3 SER 42 2HB SER 42 10.547 5.343 21.251
293 HG SER 42 HG SER 42 10.158 4.035 19.015
294 H SER 43 H SER 43 9.610 9.200 21.115
295 HA SER 43 HA SER 43 12.343 10.092 21.383
296 HB2 SER 43 1HB SER 43 11.363 12.122 22.350
297 HB3 SER 43 2HB SER 43 10.547 11.693 20.847
298 HG SER 43 HG SER 43 8.787 11.094 21.949
299 H GLY 44 H GLY 44 12.144 7.753 22.736
300 HA2 GLY 44 1HA GLY 44 13.344 7.541 24.909
301 HA3 GLY 44 2HA GLY 44 12.109 8.604 25.567
Start of MODEL 15
1 H1 GLY 1 H GLY 1 14.572 -19.812 -8.597
2 HA2 GLY 1 1HA GLY 1 16.823 -19.641 -9.961
3 HA3 GLY 1 2HA GLY 1 16.375 -21.294 -10.358
4 H SER 2 H SER 2 13.623 -21.033 -10.611
5 HA SER 2 HA SER 2 13.099 -18.905 -12.513
6 HB2 SER 2 1HB SER 2 12.500 -20.395 -14.346
7 HB3 SER 2 2HB SER 2 14.178 -20.674 -13.880
8 HG SER 2 HG SER 2 11.912 -22.252 -13.243
9 H SER 3 H SER 3 10.993 -18.341 -12.557
10 HA SER 3 HA SER 3 9.174 -19.897 -10.866
11 HB2 SER 3 1HB SER 3 9.122 -17.029 -11.812
12 HB3 SER 3 2HB SER 3 7.759 -17.787 -10.988
13 HG SER 3 HG SER 3 9.361 -16.595 -9.660
14 H GLY 4 H GLY 4 6.768 -19.606 -11.602
15 HA2 GLY 4 1HA GLY 4 6.650 -20.697 -14.310
16 HA3 GLY 4 2HA GLY 4 5.371 -20.762 -13.107
17 H SER 5 H SER 5 3.692 -19.464 -13.414
18 HA SER 5 HA SER 5 3.653 -17.623 -15.593
19 HB2 SER 5 1HB SER 5 1.637 -18.171 -13.403
20 HB3 SER 5 2HB SER 5 1.338 -17.119 -14.786
21 HG SER 5 HG SER 5 1.319 -18.826 -16.108
22 H SER 6 H SER 6 3.566 -17.262 -12.063
23 HA SER 6 HA SER 6 3.909 -15.470 -10.699
24 HB2 SER 6 1HB SER 6 5.687 -14.571 -12.980
25 HB3 SER 6 2HB SER 6 5.747 -13.963 -11.326
26 HG SER 6 HG SER 6 7.036 -15.562 -10.937
27 H GLY 7 H GLY 7 1.570 -15.307 -12.183
28 HA2 GLY 7 1HA GLY 7 1.421 -12.549 -13.160
29 HA3 GLY 7 2HA GLY 7 0.184 -13.782 -13.351
30 H GLU 8 H GLU 8 -1.329 -12.161 -12.633
31 HA GLU 8 HA GLU 8 -2.440 -10.874 -11.072
32 HB2 GLU 8 1HB GLU 8 -2.939 -13.448 -10.752
33 HB3 GLU 8 2HB GLU 8 -2.139 -13.189 -9.208
34 HG2 GLU 8 1HG GLU 8 -4.280 -12.786 -8.586
35 HG3 GLU 8 2HG GLU 8 -3.817 -11.158 -9.077
36 H LYS 9 H LYS 9 0.244 -10.196 -10.991
37 HA LYS 9 HA LYS 9 1.718 -10.356 -8.739
38 HB2 LYS 9 1HB LYS 9 2.649 -8.223 -9.239
39 HB3 LYS 9 2HB LYS 9 2.194 -8.945 -10.777
40 HG2 LYS 9 1HG LYS 9 0.447 -7.478 -11.103
41 HG3 LYS 9 2HG LYS 9 0.290 -7.118 -9.382
42 HD2 LYS 9 1HD LYS 9 2.824 -6.378 -10.757
43 HD3 LYS 9 2HD LYS 9 1.388 -5.398 -11.063
44 HE2 LYS 9 1HE LYS 9 2.465 -4.357 -9.253
45 HE3 LYS 9 2HE LYS 9 1.136 -5.265 -8.534
46 HZ1 LYS 9 3HZ LYS 9 3.876 -6.368 -8.723
47 HZ2 LYS 9 1HZ LYS 9 2.597 -6.904 -7.754
48 HZ3 LYS 9 2HZ LYS 9 3.368 -5.440 -7.402
49 H LEU 10 H LEU 10 1.814 -9.400 -6.713
50 HA LEU 10 HA LEU 10 -0.709 -8.793 -5.515
51 HB2 LEU 10 1HB LEU 10 2.064 -8.541 -4.361
52 HB3 LEU 10 2HB LEU 10 0.554 -8.541 -3.452
53 HG LEU 10 HG LEU 10 1.313 -10.909 -5.121
54 HD11 LEU 10 1HD1 LEU 10 2.104 -10.645 -2.240
55 HD12 LEU 10 2HD1 LEU 10 3.200 -10.199 -3.547
56 HD13 LEU 10 3HD1 LEU 10 2.606 -11.855 -3.422
57 HD21 LEU 10 3HD2 LEU 10 -0.800 -10.202 -3.340
58 HD22 LEU 10 1HD2 LEU 10 0.103 -11.551 -2.651
59 HD23 LEU 10 2HD2 LEU 10 -0.582 -11.685 -4.271
60 H HIS 11 H HIS 11 -1.524 -6.866 -4.835
61 HA HIS 11 HA HIS 11 -0.601 -4.501 -6.120
62 HB2 HIS 11 1HB HIS 11 -2.747 -5.066 -4.086
63 HB3 HIS 11 2HB HIS 11 -2.371 -3.419 -4.584
64 HD2 HIS 11 HD2 HIS 11 -4.199 -6.562 -5.912
65 HE1 HIS 11 HE1 HIS 11 -4.523 -3.518 -8.850
66 HE2 HIS 11 HE2 HIS 11 -5.355 -5.770 -8.086
67 H GLU 12 H GLU 12 0.393 -2.691 -5.279
68 HA GLU 12 HA GLU 12 1.237 -2.731 -2.484
69 HB2 GLU 12 1HB GLU 12 3.539 -2.543 -2.921
70 HB3 GLU 12 2HB GLU 12 2.993 -3.836 -3.979
71 HG2 GLU 12 1HG GLU 12 2.841 -2.158 -5.820
72 HG3 GLU 12 2HG GLU 12 3.601 -0.992 -4.738
73 H CYS 13 H CYS 13 2.248 -0.652 -1.830
74 HA CYS 13 HA CYS 13 0.676 1.531 -2.792
75 HB2 CYS 13 1HB CYS 13 1.595 1.079 -0.395
76 HB3 CYS 13 2HB CYS 13 3.052 1.868 -0.989
77 H SER 14 H SER 14 1.861 3.713 -3.156
78 HA SER 14 HA SER 14 3.957 3.244 -5.172
79 HB2 SER 14 1HB SER 14 1.901 4.129 -6.145
80 HB3 SER 14 2HB SER 14 1.913 5.472 -5.002
81 HG SER 14 HG SER 14 2.785 6.003 -7.085
82 H GLU 15 H GLU 15 3.116 4.921 -2.276
83 HA GLU 15 HA GLU 15 5.339 6.778 -2.463
84 HB2 GLU 15 1HB GLU 15 3.218 6.289 -0.380
85 HB3 GLU 15 2HB GLU 15 4.560 7.392 -0.110
86 HG2 GLU 15 1HG GLU 15 2.497 8.518 -0.850
87 HG3 GLU 15 2HG GLU 15 3.863 8.783 -1.932
88 H CYS 16 H CYS 16 4.353 4.097 -0.339
89 HA CYS 16 HA CYS 16 7.121 3.920 0.630
90 HB2 CYS 16 1HB CYS 16 6.192 2.564 2.471
91 HB3 CYS 16 2HB CYS 16 5.446 4.157 2.385
92 H ARG 17 H ARG 17 4.886 2.422 -1.432
93 HA ARG 17 HA ARG 17 4.933 0.519 -2.676
94 HB2 ARG 17 1HB ARG 17 7.836 0.454 -1.830
95 HB3 ARG 17 2HB ARG 17 7.130 -0.501 -3.126
96 HG2 ARG 17 1HG ARG 17 7.242 2.507 -3.058
97 HG3 ARG 17 2HG ARG 17 8.353 1.463 -3.946
98 HD2 ARG 17 1HD ARG 17 6.077 0.509 -4.919
99 HD3 ARG 17 2HD ARG 17 5.508 2.122 -4.489
100 HE ARG 17 HE ARG 17 6.788 3.002 -6.187
101 HH11 ARG 17 1HH1 ARG 17 7.639 -0.334 -5.674
102 HH12 ARG 17 2HH1 ARG 17 8.605 -0.444 -7.108
103 HH21 ARG 17 1HH2 ARG 17 8.057 2.871 -8.078
104 HH22 ARG 17 2HH2 ARG 17 8.842 1.380 -8.475
105 H LYS 18 H LYS 18 3.833 0.162 -0.246
106 HA LYS 18 HA LYS 18 5.033 -2.212 0.961
107 HB2 LYS 18 1HB LYS 18 3.942 -0.147 2.194
108 HB3 LYS 18 2HB LYS 18 2.452 -1.034 1.903
109 HG2 LYS 18 1HG LYS 18 3.035 -2.751 3.312
110 HG3 LYS 18 2HG LYS 18 4.766 -2.447 3.140
111 HD2 LYS 18 1HD LYS 18 3.017 -0.395 4.433
112 HD3 LYS 18 2HD LYS 18 3.540 -1.807 5.354
113 HE2 LYS 18 1HE LYS 18 5.845 -1.257 5.008
114 HE3 LYS 18 2HE LYS 18 5.420 0.029 3.880
115 HZ1 LYS 18 3HZ LYS 18 4.456 0.095 6.667
116 HZ2 LYS 18 1HZ LYS 18 4.647 1.376 5.578
117 HZ3 LYS 18 2HZ LYS 18 6.005 0.652 6.279
118 H THR 19 H THR 19 4.204 -4.226 0.805
119 HA THR 19 HA THR 19 2.154 -4.672 -1.194
120 HB THR 19 HB THR 19 2.679 -7.054 -0.936
121 HG1 THR 19 HG1 THR 19 3.885 -7.776 0.691
122 HG21 THR 19 3HG2 THR 19 5.353 -6.607 -1.210
123 HG22 THR 19 1HG2 THR 19 4.695 -5.007 -1.549
124 HG23 THR 19 2HG2 THR 19 4.166 -6.397 -2.497
125 H PHE 20 H PHE 20 0.159 -5.578 -0.860
126 HA PHE 20 HA PHE 20 -0.638 -6.080 1.927
127 HB2 PHE 20 1HB PHE 20 -2.240 -4.559 -0.140
128 HB3 PHE 20 2HB PHE 20 -2.810 -4.999 1.467
129 HD1 PHE 20 HD1 PHE 20 -0.206 -3.043 -0.309
130 HD2 PHE 20 HD2 PHE 20 -2.408 -3.607 3.290
131 HE1 PHE 20 HE1 PHE 20 0.730 -0.952 0.588
132 HE2 PHE 20 HE2 PHE 20 -1.476 -1.516 4.192
133 HZ PHE 20 HZ PHE 20 0.094 -0.185 2.841
134 H SER 21 H SER 21 -2.245 -7.639 2.239
135 HA SER 21 HA SER 21 -2.204 -9.835 0.522
136 HB2 SER 21 1HB SER 21 -4.358 -9.179 2.544
137 HB3 SER 21 2HB SER 21 -3.955 -10.776 1.914
138 HG SER 21 HG SER 21 -1.913 -9.302 3.112
139 H PHE 22 H PHE 22 -4.606 -7.258 0.873
140 HA PHE 22 HA PHE 22 -5.680 -8.005 -1.755
141 HB2 PHE 22 1HB PHE 22 -7.421 -7.187 0.577
142 HB3 PHE 22 2HB PHE 22 -7.955 -7.714 -1.016
143 HD1 PHE 22 HD2 PHE 22 -6.743 -10.111 -1.648
144 HD2 PHE 22 HD1 PHE 22 -7.800 -8.713 2.231
145 HE1 PHE 22 HE2 PHE 22 -6.851 -12.433 -0.844
146 HE2 PHE 22 HE1 PHE 22 -7.908 -11.033 3.042
147 HZ PHE 22 HZ PHE 22 -7.435 -12.897 1.503
148 H HIS 23 H HIS 23 -6.526 -6.296 -2.980
149 HA HIS 23 HA HIS 23 -5.222 -3.847 -2.771
150 HB2 HIS 23 1HB HIS 23 -6.446 -4.915 -4.787
151 HB3 HIS 23 2HB HIS 23 -7.882 -4.120 -4.148
152 HD2 HIS 23 HD2 HIS 23 -6.038 -1.326 -3.349
153 HE1 HIS 23 HE1 HIS 23 -5.808 -1.105 -7.579
154 HE2 HIS 23 HE2 HIS 23 -5.449 0.122 -5.410
155 H SER 24 H SER 24 -8.470 -4.782 -1.721
156 HA SER 24 HA SER 24 -9.663 -2.467 -1.056
157 HB2 SER 24 1HB SER 24 -9.530 -5.062 0.459
158 HB3 SER 24 2HB SER 24 -10.476 -3.707 1.075
159 HG SER 24 HG SER 24 -10.838 -5.208 -1.278
160 H GLN 25 H GLN 25 -7.311 -4.116 1.053
161 HA GLN 25 HA GLN 25 -7.232 -2.127 3.034
162 HB2 GLN 25 1HB GLN 25 -5.510 -4.425 2.261
163 HB3 GLN 25 2HB GLN 25 -4.804 -3.206 3.314
164 HG2 GLN 25 1HG GLN 25 -7.474 -4.328 3.997
165 HG3 GLN 25 2HG GLN 25 -6.031 -5.296 4.297
166 HE21 GLN 25 1HE2 GLN 25 -4.672 -4.751 5.938
167 HE22 GLN 25 2HE2 GLN 25 -5.000 -3.493 7.076
168 H LEU 26 H LEU 26 -4.847 -2.798 0.465
169 HA LEU 26 HA LEU 26 -3.049 -0.843 0.751
170 HB2 LEU 26 1HB LEU 26 -2.764 -2.197 -1.112
171 HB3 LEU 26 2HB LEU 26 -4.385 -1.868 -1.720
172 HG LEU 26 HG LEU 26 -3.656 0.413 -2.331
173 HD11 LEU 26 1HD1 LEU 26 -1.905 0.979 -0.934
174 HD12 LEU 26 2HD1 LEU 26 -1.077 0.634 -2.452
175 HD13 LEU 26 3HD1 LEU 26 -1.086 -0.567 -1.161
176 HD21 LEU 26 3HD2 LEU 26 -3.301 -1.883 -3.700
177 HD22 LEU 26 1HD2 LEU 26 -1.646 -1.274 -3.667
178 HD23 LEU 26 2HD2 LEU 26 -2.936 -0.283 -4.349
179 H VAL 27 H VAL 27 -5.924 -0.255 -1.281
180 HA VAL 27 HA VAL 27 -5.748 2.396 -1.721
181 HB VAL 27 HB VAL 27 -8.335 1.110 -0.845
182 HG11 VAL 27 1HG1 VAL 27 -8.532 2.929 -3.049
183 HG12 VAL 27 2HG1 VAL 27 -9.310 3.006 -1.467
184 HG13 VAL 27 3HG1 VAL 27 -7.712 3.714 -1.701
185 HG21 VAL 27 3HG2 VAL 27 -7.982 -0.341 -2.512
186 HG22 VAL 27 1HG2 VAL 27 -8.292 1.022 -3.587
187 HG23 VAL 27 2HG2 VAL 27 -6.635 0.595 -3.161
188 H ILE 28 H ILE 28 -7.001 0.928 1.258
189 HA ILE 28 HA ILE 28 -7.668 3.338 2.554
190 HB ILE 28 HB ILE 28 -6.856 0.722 3.827
191 HG12 ILE 28 1HG1 ILE 28 -9.670 1.672 3.330
192 HG13 ILE 28 2HG1 ILE 28 -8.794 0.733 2.126
193 HG21 ILE 28 1HG2 ILE 28 -7.864 1.471 5.807
194 HG22 ILE 28 2HG2 ILE 28 -6.909 2.842 5.243
195 HG23 ILE 28 3HG2 ILE 28 -8.655 2.822 4.996
196 HD11 ILE 28 3HD1 ILE 28 -8.420 -0.809 4.298
197 HD12 ILE 28 1HD1 ILE 28 -9.990 -0.099 4.676
198 HD13 ILE 28 2HD1 ILE 28 -9.765 -0.995 3.173
199 H HIS 29 H HIS 29 -4.694 1.443 2.452
200 HA HIS 29 HA HIS 29 -3.290 2.855 4.444
201 HB2 HIS 29 1HB HIS 29 -2.375 0.777 3.824
202 HB3 HIS 29 2HB HIS 29 -2.424 1.168 2.108
203 HD1 HIS 29 HD1 HIS 29 -0.285 1.386 5.099
204 HD2 HIS 29 HD2 HIS 29 -0.350 2.959 1.254
205 HE1 HIS 29 HE1 HIS 29 2.020 2.314 4.713
206 H GLN 30 H GLN 30 -3.068 3.129 0.893
207 HA GLN 30 HA GLN 30 -1.317 5.107 0.513
208 HB2 GLN 30 1HB GLN 30 -4.046 4.868 -0.754
209 HB3 GLN 30 2HB GLN 30 -2.810 5.979 -1.328
210 HG2 GLN 30 1HG GLN 30 -1.309 4.051 -1.700
211 HG3 GLN 30 2HG GLN 30 -2.629 2.978 -1.237
212 HE21 GLN 30 1HE2 GLN 30 -4.772 3.849 -2.459
213 HE22 GLN 30 2HE2 GLN 30 -4.572 3.906 -4.174
214 H ARG 31 H ARG 31 -4.436 5.482 2.034
215 HA ARG 31 HA ARG 31 -4.776 8.228 1.934
216 HB2 ARG 31 1HB ARG 31 -5.432 6.363 4.223
217 HB3 ARG 31 2HB ARG 31 -6.083 7.983 4.013
218 HG2 ARG 31 1HG ARG 31 -7.252 7.328 2.032
219 HG3 ARG 31 2HG ARG 31 -6.471 5.746 2.040
220 HD2 ARG 31 1HD ARG 31 -8.614 5.375 2.927
221 HD3 ARG 31 2HD ARG 31 -7.537 5.405 4.323
222 HE ARG 31 HE ARG 31 -8.545 7.353 5.035
223 HH11 ARG 31 1HH1 ARG 31 -9.606 6.566 1.813
224 HH12 ARG 31 2HH1 ARG 31 -10.879 7.741 1.805
225 HH21 ARG 31 1HH2 ARG 31 -10.218 8.903 5.036
226 HH22 ARG 31 2HH2 ARG 31 -11.226 9.070 3.638
227 H ILE 32 H ILE 32 -3.218 6.383 4.562
228 HA ILE 32 HA ILE 32 -2.392 8.254 6.271
229 HB ILE 32 HB ILE 32 -0.515 6.957 6.857
230 HG12 ILE 32 1HG1 ILE 32 -0.576 5.755 4.081
231 HG13 ILE 32 2HG1 ILE 32 0.561 6.984 4.625
232 HG21 ILE 32 1HG2 ILE 32 -1.375 4.737 6.968
233 HG22 ILE 32 2HG2 ILE 32 -2.748 5.841 7.034
234 HG23 ILE 32 3HG2 ILE 32 -2.372 4.990 5.535
235 HD11 ILE 32 3HD1 ILE 32 1.445 4.653 4.595
236 HD12 ILE 32 1HD1 ILE 32 1.578 5.476 6.149
237 HD13 ILE 32 2HD1 ILE 32 0.314 4.273 5.894
238 H HIS 33 H HIS 33 -1.121 7.837 3.028
239 HA HIS 33 HA HIS 33 0.982 9.774 3.375
240 HB2 HIS 33 1HB HIS 33 -0.122 8.504 0.861
241 HB3 HIS 33 2HB HIS 33 1.342 9.478 0.952
242 HD1 HIS 33 HD1 HIS 33 2.985 8.362 3.070
243 HD2 HIS 33 HD2 HIS 33 0.567 5.906 0.750
244 HE1 HIS 33 HE1 HIS 33 3.970 6.058 3.279
245 H THR 34 H THR 34 -2.074 9.674 1.551
246 HA THR 34 HA THR 34 -2.075 12.622 1.584
247 HB THR 34 HB THR 34 -1.724 11.876 -0.695
248 HG1 THR 34 HG1 THR 34 -4.003 12.601 -1.473
249 HG21 THR 34 3HG2 THR 34 -4.315 10.347 -0.463
250 HG22 THR 34 1HG2 THR 34 -2.719 9.604 -0.376
251 HG23 THR 34 2HG2 THR 34 -3.235 10.414 -1.855
252 H GLY 35 H GLY 35 -3.768 13.550 2.544
253 HA2 GLY 35 1HA GLY 35 -6.306 13.485 2.557
254 HA3 GLY 35 2HA GLY 35 -6.100 11.843 3.151
255 H GLU 36 H GLU 36 -6.529 11.716 5.242
256 HA GLU 36 HA GLU 36 -5.966 14.030 6.953
257 HB2 GLU 36 1HB GLU 36 -7.482 12.994 8.566
258 HB3 GLU 36 2HB GLU 36 -8.261 13.175 7.001
259 HG2 GLU 36 1HG GLU 36 -7.894 10.827 6.519
260 HG3 GLU 36 2HG GLU 36 -7.046 10.629 8.052
261 H ASN 37 H ASN 37 -4.629 13.921 8.704
262 HA ASN 37 HA ASN 37 -3.242 11.365 9.170
263 HB2 ASN 37 1HB ASN 37 -2.088 14.130 8.868
264 HB3 ASN 37 2HB ASN 37 -1.223 12.867 9.741
265 HD21 ASN 37 1HD2 ASN 37 0.234 11.890 8.558
266 HD22 ASN 37 2HD2 ASN 37 0.136 11.579 6.861
267 HA PRO 38 HA PRO 38 -5.069 12.740 13.155
268 HB2 PRO 38 1HB PRO 38 -5.579 10.221 14.028
269 HB3 PRO 38 2HB PRO 38 -6.680 11.113 12.972
270 HG2 PRO 38 1HG PRO 38 -4.666 9.013 12.267
271 HG3 PRO 38 2HG PRO 38 -6.326 9.214 11.677
272 HD2 PRO 38 1HD PRO 38 -4.166 9.999 10.245
273 HD3 PRO 38 2HD PRO 38 -5.725 10.845 10.164
274 H SER 39 H SER 39 -2.262 11.286 12.176
275 HA SER 39 HA SER 39 -1.188 10.048 14.404
276 HB2 SER 39 1HB SER 39 1.035 10.740 13.493
277 HB3 SER 39 2HB SER 39 -0.025 10.020 12.281
278 HG SER 39 HG SER 39 0.704 12.719 12.627
279 H GLY 40 H GLY 40 0.507 10.883 15.885
280 HA2 GLY 40 1HA GLY 40 0.024 13.695 16.640
281 HA3 GLY 40 2HA GLY 40 -0.024 12.416 17.844
282 HA PRO 41 HA PRO 41 4.244 13.138 18.589
283 HB2 PRO 41 1HB PRO 41 4.908 10.753 19.703
284 HB3 PRO 41 2HB PRO 41 3.949 11.975 20.548
285 HG2 PRO 41 1HG PRO 41 3.037 9.516 19.103
286 HG3 PRO 41 2HG PRO 41 2.492 10.166 20.661
287 HD2 PRO 41 1HD PRO 41 1.098 10.520 18.366
288 HD3 PRO 41 2HD PRO 41 1.113 11.725 19.670
289 H SER 42 H SER 42 5.940 13.091 17.261
290 HA SER 42 HA SER 42 6.337 10.712 15.568
291 HB2 SER 42 1HB SER 42 6.957 13.574 14.801
292 HB3 SER 42 2HB SER 42 7.116 12.149 13.774
293 HG SER 42 HG SER 42 4.724 11.935 14.348
294 H SER 43 H SER 43 8.242 9.741 15.771
295 HA SER 43 HA SER 43 10.624 11.250 16.451
296 HB2 SER 43 1HB SER 43 9.466 9.136 18.271
297 HB3 SER 43 2HB SER 43 11.158 9.626 18.335
298 HG SER 43 HG SER 43 9.395 10.732 19.703
299 H GLY 44 H GLY 44 12.281 10.493 15.307
300 HA2 GLY 44 1HA GLY 44 13.172 7.931 15.020
301 HA3 GLY 44 2HA GLY 44 11.978 8.100 13.742
Start of MODEL 16
1 H1 GLY 1 H GLY 1 25.895 -13.143 -4.855
2 HA2 GLY 1 1HA GLY 1 23.245 -12.829 -4.896
3 HA3 GLY 1 2HA GLY 1 23.970 -14.390 -5.254
4 H SER 2 H SER 2 22.730 -12.396 -2.600
5 HA SER 2 HA SER 2 22.277 -14.826 -1.023
6 HB2 SER 2 1HB SER 2 21.869 -13.277 0.864
7 HB3 SER 2 2HB SER 2 23.453 -13.022 0.133
8 HG SER 2 HG SER 2 22.191 -11.079 0.565
9 H SER 3 H SER 3 20.579 -11.923 -2.165
10 HA SER 3 HA SER 3 18.131 -13.433 -2.440
11 HB2 SER 3 1HB SER 3 18.241 -11.071 -0.548
12 HB3 SER 3 2HB SER 3 16.786 -11.949 -1.018
13 HG SER 3 HG SER 3 19.010 -12.979 0.415
14 H GLY 4 H GLY 4 16.453 -12.230 -3.564
15 HA2 GLY 4 1HA GLY 4 16.067 -9.873 -4.521
16 HA3 GLY 4 2HA GLY 4 17.634 -10.139 -5.269
17 H SER 5 H SER 5 14.529 -11.860 -4.916
18 HA SER 5 HA SER 5 14.462 -12.219 -7.816
19 HB2 SER 5 1HB SER 5 15.538 -14.248 -6.786
20 HB3 SER 5 2HB SER 5 14.028 -14.538 -5.921
21 HG SER 5 HG SER 5 14.068 -14.229 -8.725
22 H SER 6 H SER 6 12.387 -12.556 -8.672
23 HA SER 6 HA SER 6 10.228 -11.763 -6.850
24 HB2 SER 6 1HB SER 6 10.631 -10.333 -8.836
25 HB3 SER 6 2HB SER 6 10.286 -11.714 -9.878
26 HG SER 6 HG SER 6 8.319 -10.959 -9.741
27 H GLY 7 H GLY 7 8.268 -12.872 -6.776
28 HA2 GLY 7 1HA GLY 7 8.203 -15.476 -8.159
29 HA3 GLY 7 2HA GLY 7 7.900 -15.378 -6.431
30 H GLU 8 H GLU 8 6.050 -14.056 -5.735
31 HA GLU 8 HA GLU 8 3.876 -14.222 -7.712
32 HB2 GLU 8 1HB GLU 8 4.014 -14.729 -4.785
33 HB3 GLU 8 2HB GLU 8 2.523 -14.045 -5.416
34 HG2 GLU 8 1HG GLU 8 2.638 -15.970 -7.131
35 HG3 GLU 8 2HG GLU 8 3.774 -16.695 -5.995
36 H LYS 9 H LYS 9 3.024 -12.387 -8.415
37 HA LYS 9 HA LYS 9 3.848 -9.864 -7.334
38 HB2 LYS 9 1HB LYS 9 3.504 -10.163 -9.741
39 HB3 LYS 9 2HB LYS 9 1.803 -10.519 -9.465
40 HG2 LYS 9 1HG LYS 9 1.792 -8.305 -10.146
41 HG3 LYS 9 2HG LYS 9 1.702 -8.189 -8.387
42 HD2 LYS 9 1HD LYS 9 3.308 -6.593 -9.043
43 HD3 LYS 9 2HD LYS 9 4.232 -7.962 -8.421
44 HE2 LYS 9 1HE LYS 9 5.009 -8.554 -10.493
45 HE3 LYS 9 2HE LYS 9 3.610 -7.879 -11.329
46 HZ1 LYS 9 3HZ LYS 9 4.909 -5.759 -10.103
47 HZ2 LYS 9 1HZ LYS 9 4.828 -6.099 -11.759
48 HZ3 LYS 9 2HZ LYS 9 6.119 -6.685 -10.836
49 H LEU 10 H LEU 10 2.607 -8.318 -6.288
50 HA LEU 10 HA LEU 10 -0.139 -8.936 -5.570
51 HB2 LEU 10 1HB LEU 10 2.139 -8.913 -3.644
52 HB3 LEU 10 2HB LEU 10 0.561 -8.331 -3.120
53 HG LEU 10 HG LEU 10 1.009 -11.075 -4.279
54 HD11 LEU 10 1HD1 LEU 10 2.340 -10.863 -2.260
55 HD12 LEU 10 2HD1 LEU 10 0.938 -11.893 -1.970
56 HD13 LEU 10 3HD1 LEU 10 0.946 -10.229 -1.386
57 HD21 LEU 10 3HD2 LEU 10 -1.200 -11.245 -4.183
58 HD22 LEU 10 1HD2 LEU 10 -1.303 -9.565 -3.655
59 HD23 LEU 10 2HD2 LEU 10 -1.172 -10.858 -2.462
60 H HIS 11 H HIS 11 -1.318 -7.137 -4.834
61 HA HIS 11 HA HIS 11 -0.582 -4.665 -5.926
62 HB2 HIS 11 1HB HIS 11 -2.694 -5.454 -3.928
63 HB3 HIS 11 2HB HIS 11 -2.500 -3.789 -4.466
64 HD2 HIS 11 HD2 HIS 11 -3.591 -7.256 -5.949
65 HE1 HIS 11 HE1 HIS 11 -4.803 -4.172 -8.598
66 HE2 HIS 11 HE2 HIS 11 -4.974 -6.623 -8.041
67 H GLU 12 H GLU 12 0.457 -2.918 -5.145
68 HA GLU 12 HA GLU 12 1.075 -2.784 -2.287
69 HB2 GLU 12 1HB GLU 12 3.403 -2.481 -2.608
70 HB3 GLU 12 2HB GLU 12 2.965 -3.900 -3.550
71 HG2 GLU 12 1HG GLU 12 2.805 -2.359 -5.548
72 HG3 GLU 12 2HG GLU 12 3.576 -1.134 -4.542
73 H CYS 13 H CYS 13 2.102 -0.635 -1.729
74 HA CYS 13 HA CYS 13 0.464 1.453 -2.777
75 HB2 CYS 13 1HB CYS 13 1.479 1.146 -0.385
76 HB3 CYS 13 2HB CYS 13 2.874 1.973 -1.071
77 H SER 14 H SER 14 1.603 3.646 -3.272
78 HA SER 14 HA SER 14 3.645 3.114 -5.327
79 HB2 SER 14 1HB SER 14 1.601 3.903 -6.338
80 HB3 SER 14 2HB SER 14 1.505 5.250 -5.204
81 HG SER 14 HG SER 14 2.625 5.289 -7.540
82 H GLU 15 H GLU 15 2.796 5.011 -2.547
83 HA GLU 15 HA GLU 15 5.034 6.830 -2.879
84 HB2 GLU 15 1HB GLU 15 2.893 6.537 -0.779
85 HB3 GLU 15 2HB GLU 15 4.243 7.647 -0.590
86 HG2 GLU 15 1HG GLU 15 2.479 7.738 -3.007
87 HG3 GLU 15 2HG GLU 15 2.038 8.558 -1.511
88 H CYS 16 H CYS 16 4.024 4.318 -0.571
89 HA CYS 16 HA CYS 16 6.737 4.276 0.533
90 HB2 CYS 16 1HB CYS 16 5.760 2.888 2.328
91 HB3 CYS 16 2HB CYS 16 4.934 4.434 2.164
92 H ARG 17 H ARG 17 4.666 2.550 -1.567
93 HA ARG 17 HA ARG 17 4.940 0.651 -2.791
94 HB2 ARG 17 1HB ARG 17 7.781 0.741 -1.760
95 HB3 ARG 17 2HB ARG 17 7.203 -0.222 -3.114
96 HG2 ARG 17 1HG ARG 17 6.929 2.760 -3.105
97 HG3 ARG 17 2HG ARG 17 8.425 1.972 -3.610
98 HD2 ARG 17 1HD ARG 17 5.797 1.137 -4.774
99 HD3 ARG 17 2HD ARG 17 6.633 2.562 -5.388
100 HE ARG 17 HE ARG 17 8.280 0.207 -5.255
101 HH11 ARG 17 1HH1 ARG 17 6.018 2.026 -7.178
102 HH12 ARG 17 2HH1 ARG 17 6.567 1.367 -8.683
103 HH21 ARG 17 1HH2 ARG 17 9.012 -0.667 -7.231
104 HH22 ARG 17 2HH2 ARG 17 8.270 -0.166 -8.712
105 H LYS 18 H LYS 18 3.847 0.402 -0.241
106 HA LYS 18 HA LYS 18 5.055 -1.961 0.965
107 HB2 LYS 18 1HB LYS 18 3.938 0.122 2.164
108 HB3 LYS 18 2HB LYS 18 2.469 -0.814 1.919
109 HG2 LYS 18 1HG LYS 18 3.436 -2.681 3.144
110 HG3 LYS 18 2HG LYS 18 4.932 -1.771 3.365
111 HD2 LYS 18 1HD LYS 18 3.909 -1.312 5.356
112 HD3 LYS 18 2HD LYS 18 3.269 0.017 4.386
113 HE2 LYS 18 1HE LYS 18 1.285 -1.433 3.886
114 HE3 LYS 18 2HE LYS 18 1.908 -2.585 5.066
115 HZ1 LYS 18 3HZ LYS 18 1.935 -0.241 6.419
116 HZ2 LYS 18 1HZ LYS 18 0.723 -1.416 6.528
117 HZ3 LYS 18 2HZ LYS 18 0.532 -0.098 5.486
118 H THR 19 H THR 19 4.230 -3.983 0.865
119 HA THR 19 HA THR 19 2.232 -4.507 -1.153
120 HB THR 19 HB THR 19 2.665 -6.916 -0.576
121 HG1 THR 19 HG1 THR 19 4.323 -7.366 0.866
122 HG21 THR 19 3HG2 THR 19 5.179 -6.738 -1.285
123 HG22 THR 19 1HG2 THR 19 4.800 -5.026 -1.471
124 HG23 THR 19 2HG2 THR 19 3.908 -6.233 -2.398
125 H PHE 20 H PHE 20 0.359 -5.856 -0.787
126 HA PHE 20 HA PHE 20 -0.617 -5.992 1.961
127 HB2 PHE 20 1HB PHE 20 -2.092 -4.596 -0.279
128 HB3 PHE 20 2HB PHE 20 -2.807 -5.013 1.275
129 HD1 PHE 20 HD1 PHE 20 -0.076 -3.044 -0.282
130 HD2 PHE 20 HD2 PHE 20 -2.616 -3.572 3.092
131 HE1 PHE 20 HE1 PHE 20 0.728 -0.915 0.652
132 HE2 PHE 20 HE2 PHE 20 -1.816 -1.443 4.031
133 HZ PHE 20 HZ PHE 20 -0.142 -0.111 2.810
134 H SER 21 H SER 21 -2.289 -7.510 2.286
135 HA SER 21 HA SER 21 -2.174 -9.753 0.522
136 HB2 SER 21 1HB SER 21 -2.402 -9.934 3.007
137 HB3 SER 21 2HB SER 21 -4.047 -9.313 2.859
138 HG SER 21 HG SER 21 -4.684 -11.155 1.958
139 H PHE 22 H PHE 22 -4.625 -7.328 1.308
140 HA PHE 22 HA PHE 22 -6.191 -8.278 -1.001
141 HB2 PHE 22 1HB PHE 22 -7.347 -6.794 1.356
142 HB3 PHE 22 2HB PHE 22 -8.209 -7.682 0.103
143 HD1 PHE 22 HD2 PHE 22 -7.299 -10.253 -0.055
144 HD2 PHE 22 HD1 PHE 22 -7.337 -7.784 3.412
145 HE1 PHE 22 HE2 PHE 22 -7.301 -12.259 1.370
146 HE2 PHE 22 HE1 PHE 22 -7.339 -9.786 4.842
147 HZ PHE 22 HZ PHE 22 -7.322 -12.027 3.821
148 H HIS 23 H HIS 23 -6.442 -6.881 -2.615
149 HA HIS 23 HA HIS 23 -5.145 -4.481 -2.854
150 HB2 HIS 23 1HB HIS 23 -5.915 -5.241 -4.883
151 HB3 HIS 23 2HB HIS 23 -7.490 -5.694 -4.238
152 HD2 HIS 23 HD2 HIS 23 -6.119 -2.019 -4.014
153 HE1 HIS 23 HE1 HIS 23 -9.501 -2.089 -6.575
154 HE2 HIS 23 HE2 HIS 23 -7.753 -0.647 -5.476
155 H SER 24 H SER 24 -8.489 -5.006 -1.791
156 HA SER 24 HA SER 24 -9.406 -2.438 -1.590
157 HB2 SER 24 1HB SER 24 -10.663 -4.562 -1.029
158 HB3 SER 24 2HB SER 24 -9.881 -4.519 0.550
159 HG SER 24 HG SER 24 -11.840 -2.838 -0.520
160 H GLN 25 H GLN 25 -7.349 -4.157 0.721
161 HA GLN 25 HA GLN 25 -7.298 -2.182 2.713
162 HB2 GLN 25 1HB GLN 25 -5.592 -4.509 1.990
163 HB3 GLN 25 2HB GLN 25 -4.913 -3.317 3.090
164 HG2 GLN 25 1HG GLN 25 -7.635 -4.362 3.650
165 HG3 GLN 25 2HG GLN 25 -6.249 -5.405 3.965
166 HE21 GLN 25 1HE2 GLN 25 -8.110 -4.269 5.857
167 HE22 GLN 25 2HE2 GLN 25 -7.181 -3.302 6.945
168 H LEU 26 H LEU 26 -4.759 -2.915 0.311
169 HA LEU 26 HA LEU 26 -2.991 -0.941 0.698
170 HB2 LEU 26 1HB LEU 26 -2.540 -2.376 -1.075
171 HB3 LEU 26 2HB LEU 26 -4.092 -2.061 -1.849
172 HG LEU 26 HG LEU 26 -3.311 0.151 -2.529
173 HD11 LEU 26 1HD1 LEU 26 -1.371 1.108 -1.876
174 HD12 LEU 26 2HD1 LEU 26 -0.512 -0.430 -1.788
175 HD13 LEU 26 3HD1 LEU 26 -1.591 0.053 -0.480
176 HD21 LEU 26 3HD2 LEU 26 -1.380 -2.044 -3.271
177 HD22 LEU 26 1HD2 LEU 26 -1.676 -0.564 -4.183
178 HD23 LEU 26 2HD2 LEU 26 -2.956 -1.766 -4.012
179 H VAL 27 H VAL 27 -5.732 -0.474 -1.542
180 HA VAL 27 HA VAL 27 -5.507 2.170 -2.093
181 HB VAL 27 HB VAL 27 -8.158 0.901 -1.408
182 HG11 VAL 27 1HG1 VAL 27 -9.127 2.678 -2.351
183 HG12 VAL 27 2HG1 VAL 27 -7.559 3.472 -2.190
184 HG13 VAL 27 3HG1 VAL 27 -7.998 2.681 -3.705
185 HG21 VAL 27 3HG2 VAL 27 -6.241 0.196 -3.449
186 HG22 VAL 27 1HG2 VAL 27 -7.753 -0.595 -3.006
187 HG23 VAL 27 2HG2 VAL 27 -7.760 0.737 -4.162
188 H ILE 28 H ILE 28 -7.025 0.797 0.808
189 HA ILE 28 HA ILE 28 -7.831 3.240 1.950
190 HB ILE 28 HB ILE 28 -7.102 0.681 3.379
191 HG12 ILE 28 1HG1 ILE 28 -9.876 1.583 2.635
192 HG13 ILE 28 2HG1 ILE 28 -8.899 0.628 1.525
193 HG21 ILE 28 1HG2 ILE 28 -8.031 1.516 5.285
194 HG22 ILE 28 2HG2 ILE 28 -7.413 3.014 4.590
195 HG23 ILE 28 3HG2 ILE 28 -9.117 2.599 4.415
196 HD11 ILE 28 3HD1 ILE 28 -8.662 -0.908 3.674
197 HD12 ILE 28 1HD1 ILE 28 -10.208 -0.151 4.057
198 HD13 ILE 28 2HD1 ILE 28 -10.013 -1.049 2.551
199 H HIS 29 H HIS 29 -4.835 1.391 2.193
200 HA HIS 29 HA HIS 29 -3.625 2.865 4.251
201 HB2 HIS 29 1HB HIS 29 -2.577 0.835 3.744
202 HB3 HIS 29 2HB HIS 29 -2.559 1.166 2.015
203 HD1 HIS 29 HD1 HIS 29 -0.545 1.494 5.064
204 HD2 HIS 29 HD2 HIS 29 -0.539 3.071 1.220
205 HE1 HIS 29 HE1 HIS 29 1.735 2.510 4.757
206 H GLN 30 H GLN 30 -3.175 3.150 0.723
207 HA GLN 30 HA GLN 30 -1.442 5.160 0.452
208 HB2 GLN 30 1HB GLN 30 -4.102 5.011 -0.977
209 HB3 GLN 30 2HB GLN 30 -2.720 5.958 -1.511
210 HG2 GLN 30 1HG GLN 30 -1.441 4.010 -1.944
211 HG3 GLN 30 2HG GLN 30 -2.624 2.979 -1.140
212 HE21 GLN 30 1HE2 GLN 30 -1.907 2.225 -3.567
213 HE22 GLN 30 2HE2 GLN 30 -3.139 2.558 -4.732
214 H ARG 31 H ARG 31 -4.654 5.474 1.782
215 HA ARG 31 HA ARG 31 -5.035 8.214 1.670
216 HB2 ARG 31 1HB ARG 31 -5.799 6.325 3.904
217 HB3 ARG 31 2HB ARG 31 -6.460 7.937 3.668
218 HG2 ARG 31 1HG ARG 31 -7.514 7.287 1.630
219 HG3 ARG 31 2HG ARG 31 -6.690 5.727 1.642
220 HD2 ARG 31 1HD ARG 31 -8.803 5.197 2.435
221 HD3 ARG 31 2HD ARG 31 -7.867 5.388 3.917
222 HE ARG 31 HE ARG 31 -8.969 7.862 3.369
223 HH11 ARG 31 1HH1 ARG 31 -10.117 4.645 4.044
224 HH12 ARG 31 2HH1 ARG 31 -11.584 5.185 4.790
225 HH21 ARG 31 1HH2 ARG 31 -10.897 8.585 4.349
226 HH22 ARG 31 2HH2 ARG 31 -12.028 7.426 4.962
227 H ILE 32 H ILE 32 -3.590 6.378 4.367
228 HA ILE 32 HA ILE 32 -2.910 8.250 6.140
229 HB ILE 32 HB ILE 32 -1.029 6.992 6.814
230 HG12 ILE 32 1HG1 ILE 32 -0.937 5.894 3.996
231 HG13 ILE 32 2HG1 ILE 32 0.214 7.016 4.715
232 HG21 ILE 32 1HG2 ILE 32 -3.247 5.838 6.888
233 HG22 ILE 32 2HG2 ILE 32 -2.793 5.002 5.404
234 HG23 ILE 32 3HG2 ILE 32 -1.855 4.755 6.877
235 HD11 ILE 32 3HD1 ILE 32 -0.261 4.172 5.575
236 HD12 ILE 32 1HD1 ILE 32 1.113 4.769 4.645
237 HD13 ILE 32 2HD1 ILE 32 0.882 5.294 6.313
238 H HIS 33 H HIS 33 -1.430 7.885 2.979
239 HA HIS 33 HA HIS 33 0.653 9.789 3.428
240 HB2 HIS 33 1HB HIS 33 -0.491 8.610 0.891
241 HB3 HIS 33 2HB HIS 33 0.899 9.692 0.927
242 HD1 HIS 33 HD1 HIS 33 2.803 8.685 2.813
243 HD2 HIS 33 HD2 HIS 33 0.320 6.048 0.778
244 HE1 HIS 33 HE1 HIS 33 3.954 6.452 2.931
245 H THR 34 H THR 34 -2.247 9.920 1.350
246 HA THR 34 HA THR 34 -2.139 12.567 0.623
247 HB THR 34 HB THR 34 -4.583 12.490 0.329
248 HG1 THR 34 HG1 THR 34 -4.312 10.095 1.837
249 HG21 THR 34 3HG2 THR 34 -2.673 10.717 -0.817
250 HG22 THR 34 1HG2 THR 34 -4.129 11.387 -1.551
251 HG23 THR 34 2HG2 THR 34 -4.207 9.860 -0.673
252 H GLY 35 H GLY 35 -3.631 11.192 3.542
253 HA2 GLY 35 1HA GLY 35 -4.461 13.757 4.535
254 HA3 GLY 35 2HA GLY 35 -4.512 12.233 5.408
255 H GLU 36 H GLU 36 -2.371 11.407 6.187
256 HA GLU 36 HA GLU 36 -0.792 11.838 7.822
257 HB2 GLU 36 1HB GLU 36 1.263 12.694 6.835
258 HB3 GLU 36 2HB GLU 36 0.462 11.596 5.721
259 HG2 GLU 36 1HG GLU 36 -0.484 13.581 4.553
260 HG3 GLU 36 2HG GLU 36 0.511 14.600 5.593
261 H ASN 37 H ASN 37 -2.941 13.695 8.012
262 HA ASN 37 HA ASN 37 -1.524 16.154 8.800
263 HB2 ASN 37 1HB ASN 37 -3.761 17.260 8.653
264 HB3 ASN 37 2HB ASN 37 -3.182 16.630 7.113
265 HD21 ASN 37 1HD2 ASN 37 -5.811 16.900 9.023
266 HD22 ASN 37 2HD2 ASN 37 -6.735 15.556 8.452
267 HA PRO 38 HA PRO 38 -2.865 14.047 12.711
268 HB2 PRO 38 1HB PRO 38 -0.541 14.518 14.033
269 HB3 PRO 38 2HB PRO 38 -0.788 13.107 12.997
270 HG2 PRO 38 1HG PRO 38 0.606 15.685 12.387
271 HG3 PRO 38 2HG PRO 38 1.094 14.028 11.987
272 HD2 PRO 38 1HD PRO 38 -0.077 15.676 10.186
273 HD3 PRO 38 2HD PRO 38 -0.317 13.917 10.169
274 H SER 39 H SER 39 -4.359 15.756 13.036
275 HA SER 39 HA SER 39 -3.543 17.641 15.038
276 HB2 SER 39 1HB SER 39 -2.980 18.678 12.720
277 HB3 SER 39 2HB SER 39 -4.724 18.894 12.573
278 HG SER 39 HG SER 39 -3.113 19.868 14.700
279 H GLY 40 H GLY 40 -5.468 19.105 15.627
280 HA2 GLY 40 1HA GLY 40 -8.090 18.285 14.876
281 HA3 GLY 40 2HA GLY 40 -7.620 17.551 16.402
282 HA PRO 41 HA PRO 41 -7.925 22.392 16.901
283 HB2 PRO 41 1HB PRO 41 -9.727 23.526 15.216
284 HB3 PRO 41 2HB PRO 41 -8.005 23.399 14.838
285 HG2 PRO 41 1HG PRO 41 -10.275 21.669 13.936
286 HG3 PRO 41 2HG PRO 41 -8.907 22.297 12.999
287 HD2 PRO 41 1HD PRO 41 -8.985 19.760 13.943
288 HD3 PRO 41 2HD PRO 41 -7.469 20.669 13.772
289 H SER 42 H SER 42 -9.267 23.112 18.468
290 HA SER 42 HA SER 42 -12.029 22.105 18.516
291 HB2 SER 42 1HB SER 42 -10.890 20.686 20.061
292 HB3 SER 42 2HB SER 42 -10.014 22.044 20.767
293 HG SER 42 HG SER 42 -12.830 21.951 20.831
294 H SER 43 H SER 43 -12.721 24.149 17.795
295 HA SER 43 HA SER 43 -12.019 26.581 19.058
296 HB2 SER 43 1HB SER 43 -14.199 25.734 17.181
297 HB3 SER 43 2HB SER 43 -14.270 27.326 17.938
298 HG SER 43 HG SER 43 -12.007 26.366 16.526
299 H GLY 44 H GLY 44 -15.031 24.670 19.242
300 HA2 GLY 44 1HA GLY 44 -16.489 26.045 21.049
301 HA3 GLY 44 2HA GLY 44 -16.403 24.290 21.069
Start of MODEL 17
1 H1 GLY 1 H GLY 1 25.227 -16.510 -8.553
2 HA2 GLY 1 1HA GLY 1 25.424 -13.825 -7.563
3 HA3 GLY 1 2HA GLY 1 24.518 -13.915 -9.067
4 H SER 2 H SER 2 23.481 -13.064 -6.557
5 HA SER 2 HA SER 2 21.637 -15.262 -5.898
6 HB2 SER 2 1HB SER 2 21.214 -14.016 -3.781
7 HB3 SER 2 2HB SER 2 22.896 -14.516 -3.961
8 HG SER 2 HG SER 2 22.419 -12.247 -3.289
9 H SER 3 H SER 3 19.639 -15.093 -6.644
10 HA SER 3 HA SER 3 18.707 -12.556 -7.717
11 HB2 SER 3 1HB SER 3 16.936 -13.825 -8.747
12 HB3 SER 3 2HB SER 3 18.442 -14.713 -8.977
13 HG SER 3 HG SER 3 16.572 -15.967 -8.239
14 H GLY 4 H GLY 4 16.337 -12.013 -7.332
15 HA2 GLY 4 1HA GLY 4 15.669 -12.470 -4.489
16 HA3 GLY 4 2HA GLY 4 15.521 -10.890 -5.244
17 H SER 5 H SER 5 14.543 -14.182 -6.201
18 HA SER 5 HA SER 5 11.797 -13.159 -6.507
19 HB2 SER 5 1HB SER 5 11.498 -14.436 -8.489
20 HB3 SER 5 2HB SER 5 13.057 -13.634 -8.675
21 HG SER 5 HG SER 5 13.628 -15.865 -7.505
22 H SER 6 H SER 6 10.098 -14.606 -6.055
23 HA SER 6 HA SER 6 10.855 -17.103 -4.704
24 HB2 SER 6 1HB SER 6 10.313 -15.029 -3.169
25 HB3 SER 6 2HB SER 6 8.643 -15.442 -3.557
26 HG SER 6 HG SER 6 9.399 -17.678 -2.906
27 H GLY 7 H GLY 7 8.169 -15.153 -5.982
28 HA2 GLY 7 1HA GLY 7 6.949 -16.319 -7.846
29 HA3 GLY 7 2HA GLY 7 6.832 -17.677 -6.737
30 H GLU 8 H GLU 8 6.363 -14.205 -6.156
31 HA GLU 8 HA GLU 8 3.526 -14.727 -5.616
32 HB2 GLU 8 1HB GLU 8 3.564 -13.601 -3.527
33 HB3 GLU 8 2HB GLU 8 4.890 -14.754 -3.488
34 HG2 GLU 8 1HG GLU 8 6.275 -12.694 -4.347
35 HG3 GLU 8 2HG GLU 8 4.957 -11.787 -3.607
36 H LYS 9 H LYS 9 2.262 -12.677 -5.418
37 HA LYS 9 HA LYS 9 3.361 -10.251 -6.451
38 HB2 LYS 9 1HB LYS 9 2.944 -11.944 -8.447
39 HB3 LYS 9 2HB LYS 9 1.284 -11.392 -8.267
40 HG2 LYS 9 1HG LYS 9 2.040 -9.074 -8.571
41 HG3 LYS 9 2HG LYS 9 3.689 -9.660 -8.806
42 HD2 LYS 9 1HD LYS 9 1.378 -10.580 -10.501
43 HD3 LYS 9 2HD LYS 9 2.355 -9.167 -10.907
44 HE2 LYS 9 1HE LYS 9 4.330 -10.500 -11.085
45 HE3 LYS 9 2HE LYS 9 3.501 -11.913 -10.434
46 HZ1 LYS 9 3HZ LYS 9 3.815 -11.367 -13.059
47 HZ2 LYS 9 1HZ LYS 9 2.244 -10.808 -12.775
48 HZ3 LYS 9 2HZ LYS 9 2.648 -12.411 -12.420
49 H LEU 10 H LEU 10 2.247 -8.668 -5.527
50 HA LEU 10 HA LEU 10 -0.644 -8.916 -5.206
51 HB2 LEU 10 1HB LEU 10 1.176 -8.169 -2.924
52 HB3 LEU 10 2HB LEU 10 -0.583 -8.259 -2.880
53 HG LEU 10 HG LEU 10 -0.189 -10.766 -3.497
54 HD11 LEU 10 1HD1 LEU 10 2.479 -9.837 -3.223
55 HD12 LEU 10 2HD1 LEU 10 1.909 -11.469 -3.570
56 HD13 LEU 10 3HD1 LEU 10 2.144 -10.954 -1.899
57 HD21 LEU 10 3HD2 LEU 10 0.646 -10.344 -0.719
58 HD22 LEU 10 1HD2 LEU 10 -0.762 -11.184 -1.370
59 HD23 LEU 10 2HD2 LEU 10 -0.783 -9.429 -1.202
60 H HIS 11 H HIS 11 -1.578 -6.797 -4.364
61 HA HIS 11 HA HIS 11 -0.580 -4.677 -6.018
62 HB2 HIS 11 1HB HIS 11 -2.945 -5.055 -4.228
63 HB3 HIS 11 2HB HIS 11 -2.499 -3.421 -4.710
64 HD2 HIS 11 HD2 HIS 11 -3.938 -6.685 -6.297
65 HE1 HIS 11 HE1 HIS 11 -4.196 -3.559 -9.154
66 HE2 HIS 11 HE2 HIS 11 -4.892 -5.909 -8.573
67 H GLU 12 H GLU 12 1.154 -3.552 -5.420
68 HA GLU 12 HA GLU 12 1.598 -2.991 -2.580
69 HB2 GLU 12 1HB GLU 12 3.854 -2.642 -3.081
70 HB3 GLU 12 2HB GLU 12 3.395 -3.965 -4.145
71 HG2 GLU 12 1HG GLU 12 2.998 -2.186 -5.919
72 HG3 GLU 12 2HG GLU 12 3.857 -1.086 -4.842
73 H CYS 13 H CYS 13 2.650 -0.773 -2.171
74 HA CYS 13 HA CYS 13 0.792 1.225 -3.137
75 HB2 CYS 13 1HB CYS 13 1.799 0.878 -0.711
76 HB3 CYS 13 2HB CYS 13 3.080 1.907 -1.343
77 H SER 14 H SER 14 1.973 3.527 -3.360
78 HA SER 14 HA SER 14 4.050 3.159 -5.420
79 HB2 SER 14 1HB SER 14 1.939 3.949 -6.379
80 HB3 SER 14 2HB SER 14 1.917 5.303 -5.249
81 HG SER 14 HG SER 14 4.182 5.596 -6.320
82 H GLU 15 H GLU 15 3.094 4.821 -2.540
83 HA GLU 15 HA GLU 15 5.296 6.718 -2.708
84 HB2 GLU 15 1HB GLU 15 2.960 6.342 -0.877
85 HB3 GLU 15 2HB GLU 15 4.347 7.264 -0.315
86 HG2 GLU 15 1HG GLU 15 2.755 7.856 -2.799
87 HG3 GLU 15 2HG GLU 15 2.589 8.687 -1.254
88 H CYS 16 H CYS 16 4.287 3.937 -0.770
89 HA CYS 16 HA CYS 16 6.995 3.853 0.392
90 HB2 CYS 16 1HB CYS 16 5.980 2.583 2.269
91 HB3 CYS 16 2HB CYS 16 5.331 4.212 2.116
92 H ARG 17 H ARG 17 4.945 2.392 -1.788
93 HA ARG 17 HA ARG 17 4.931 0.403 -2.894
94 HB2 ARG 17 1HB ARG 17 7.783 0.191 -1.917
95 HB3 ARG 17 2HB ARG 17 7.082 -0.636 -3.302
96 HG2 ARG 17 1HG ARG 17 7.366 2.352 -3.060
97 HG3 ARG 17 2HG ARG 17 8.494 1.295 -3.913
98 HD2 ARG 17 1HD ARG 17 6.319 0.501 -5.148
99 HD3 ARG 17 2HD ARG 17 5.699 2.064 -4.617
100 HE ARG 17 HE ARG 17 6.957 3.037 -6.245
101 HH11 ARG 17 1HH1 ARG 17 8.330 -0.076 -5.507
102 HH12 ARG 17 2HH1 ARG 17 9.531 0.013 -6.752
103 HH21 ARG 17 1HH2 ARG 17 8.535 3.166 -7.887
104 HH22 ARG 17 2HH2 ARG 17 9.648 1.858 -8.105
105 H LYS 18 H LYS 18 3.891 0.302 -0.302
106 HA LYS 18 HA LYS 18 4.928 -2.070 0.997
107 HB2 LYS 18 1HB LYS 18 3.892 0.016 2.134
108 HB3 LYS 18 2HB LYS 18 2.346 -0.705 1.706
109 HG2 LYS 18 1HG LYS 18 3.073 -2.767 2.929
110 HG3 LYS 18 2HG LYS 18 4.470 -1.852 3.499
111 HD2 LYS 18 1HD LYS 18 3.182 -0.454 4.817
112 HD3 LYS 18 2HD LYS 18 1.719 -0.744 3.872
113 HE2 LYS 18 1HE LYS 18 1.258 -1.969 5.756
114 HE3 LYS 18 2HE LYS 18 2.019 -3.198 4.747
115 HZ1 LYS 18 3HZ LYS 18 3.770 -3.346 6.113
116 HZ2 LYS 18 1HZ LYS 18 2.755 -2.630 7.261
117 HZ3 LYS 18 2HZ LYS 18 3.849 -1.679 6.389
118 H THR 19 H THR 19 4.183 -4.087 0.768
119 HA THR 19 HA THR 19 2.166 -4.609 -1.232
120 HB THR 19 HB THR 19 2.693 -6.978 -0.879
121 HG1 THR 19 HG1 THR 19 4.709 -6.264 0.958
122 HG21 THR 19 3HG2 THR 19 5.393 -6.460 -1.049
123 HG22 THR 19 1HG2 THR 19 4.664 -4.940 -1.564
124 HG23 THR 19 2HG2 THR 19 4.254 -6.441 -2.395
125 H PHE 20 H PHE 20 0.214 -5.689 -0.918
126 HA PHE 20 HA PHE 20 -0.672 -6.064 1.852
127 HB2 PHE 20 1HB PHE 20 -2.216 -4.562 -0.273
128 HB3 PHE 20 2HB PHE 20 -2.840 -4.996 1.315
129 HD1 PHE 20 HD1 PHE 20 -0.271 -2.984 -0.424
130 HD2 PHE 20 HD2 PHE 20 -2.411 -3.658 3.193
131 HE1 PHE 20 HE1 PHE 20 0.631 -0.887 0.496
132 HE2 PHE 20 HE2 PHE 20 -1.513 -1.562 4.118
133 HZ PHE 20 HZ PHE 20 0.009 -0.174 2.769
134 H SER 21 H SER 21 -1.904 -7.834 2.179
135 HA SER 21 HA SER 21 -1.967 -9.910 0.350
136 HB2 SER 21 1HB SER 21 -3.404 -9.323 2.893
137 HB3 SER 21 2HB SER 21 -4.024 -10.636 1.891
138 HG SER 21 HG SER 21 -1.278 -10.488 2.476
139 H PHE 22 H PHE 22 -4.490 -7.533 1.095
140 HA PHE 22 HA PHE 22 -5.836 -8.311 -1.406
141 HB2 PHE 22 1HB PHE 22 -7.233 -7.335 1.091
142 HB3 PHE 22 2HB PHE 22 -7.988 -7.914 -0.391
143 HD1 PHE 22 HD1 PHE 22 -5.784 -8.997 2.396
144 HD2 PHE 22 HD2 PHE 22 -8.566 -10.149 -0.612
145 HE1 PHE 22 HE1 PHE 22 -5.833 -11.277 3.320
146 HE2 PHE 22 HE2 PHE 22 -8.621 -12.430 0.308
147 HZ PHE 22 HZ PHE 22 -7.254 -12.997 2.277
148 H HIS 23 H HIS 23 -5.982 -6.722 -2.837
149 HA HIS 23 HA HIS 23 -4.894 -4.244 -2.660
150 HB2 HIS 23 1HB HIS 23 -5.954 -5.427 -4.689
151 HB3 HIS 23 2HB HIS 23 -7.453 -4.646 -4.194
152 HD2 HIS 23 HD2 HIS 23 -5.991 -1.703 -3.467
153 HE1 HIS 23 HE1 HIS 23 -5.050 -1.789 -7.603
154 HE2 HIS 23 HE2 HIS 23 -5.171 -0.369 -5.526
155 H SER 24 H SER 24 -8.281 -5.049 -1.940
156 HA SER 24 HA SER 24 -9.469 -2.714 -1.451
157 HB2 SER 24 1HB SER 24 -9.495 -5.095 0.418
158 HB3 SER 24 2HB SER 24 -10.650 -3.764 0.484
159 HG SER 24 HG SER 24 -10.937 -5.888 -0.908
160 H GLN 25 H GLN 25 -7.217 -4.239 0.838
161 HA GLN 25 HA GLN 25 -7.318 -2.198 2.775
162 HB2 GLN 25 1HB GLN 25 -5.491 -4.470 2.174
163 HB3 GLN 25 2HB GLN 25 -4.898 -3.210 3.247
164 HG2 GLN 25 1HG GLN 25 -7.576 -4.403 3.760
165 HG3 GLN 25 2HG GLN 25 -6.128 -5.314 4.189
166 HE21 GLN 25 1HE2 GLN 25 -4.766 -4.528 5.800
167 HE22 GLN 25 2HE2 GLN 25 -5.277 -3.318 6.922
168 H LEU 26 H LEU 26 -4.846 -2.867 0.292
169 HA LEU 26 HA LEU 26 -3.069 -0.888 0.639
170 HB2 LEU 26 1HB LEU 26 -2.726 -2.303 -1.188
171 HB3 LEU 26 2HB LEU 26 -4.299 -1.928 -1.888
172 HG LEU 26 HG LEU 26 -3.507 0.270 -2.553
173 HD11 LEU 26 1HD1 LEU 26 -0.795 0.293 -2.294
174 HD12 LEU 26 2HD1 LEU 26 -1.298 -0.420 -0.762
175 HD13 LEU 26 3HD1 LEU 26 -1.921 1.157 -1.247
176 HD21 LEU 26 3HD2 LEU 26 -3.183 -1.376 -4.206
177 HD22 LEU 26 1HD2 LEU 26 -1.806 -2.075 -3.355
178 HD23 LEU 26 2HD2 LEU 26 -1.659 -0.492 -4.119
179 H VAL 27 H VAL 27 -5.835 -0.366 -1.554
180 HA VAL 27 HA VAL 27 -5.679 2.282 -2.007
181 HB VAL 27 HB VAL 27 -8.293 0.970 -1.262
182 HG11 VAL 27 1HG1 VAL 27 -9.345 2.708 -2.240
183 HG12 VAL 27 2HG1 VAL 27 -7.844 3.561 -1.873
184 HG13 VAL 27 3HG1 VAL 27 -8.110 2.893 -3.484
185 HG21 VAL 27 3HG2 VAL 27 -6.447 0.345 -3.390
186 HG22 VAL 27 1HG2 VAL 27 -7.941 -0.468 -2.923
187 HG23 VAL 27 2HG2 VAL 27 -7.992 0.901 -4.034
188 H ILE 28 H ILE 28 -7.060 0.821 0.916
189 HA ILE 28 HA ILE 28 -7.840 3.235 2.147
190 HB ILE 28 HB ILE 28 -7.070 0.630 3.470
191 HG12 ILE 28 1HG1 ILE 28 -9.863 1.582 2.871
192 HG13 ILE 28 2HG1 ILE 28 -8.943 0.650 1.695
193 HG21 ILE 28 1HG2 ILE 28 -7.903 1.412 5.441
194 HG22 ILE 28 2HG2 ILE 28 -7.309 2.928 4.765
195 HG23 ILE 28 3HG2 ILE 28 -9.022 2.525 4.655
196 HD11 ILE 28 3HD1 ILE 28 -10.396 -0.236 4.011
197 HD12 ILE 28 1HD1 ILE 28 -9.721 -1.172 2.678
198 HD13 ILE 28 2HD1 ILE 28 -8.718 -0.773 4.073
199 H HIS 29 H HIS 29 -4.823 1.423 2.164
200 HA HIS 29 HA HIS 29 -3.547 2.835 4.243
201 HB2 HIS 29 1HB HIS 29 -2.571 0.778 3.608
202 HB3 HIS 29 2HB HIS 29 -2.511 1.237 1.909
203 HD1 HIS 29 HD1 HIS 29 -0.786 1.910 5.191
204 HD2 HIS 29 HD2 HIS 29 -0.225 2.562 1.127
205 HE1 HIS 29 HE1 HIS 29 1.569 2.761 4.966
206 H GLN 30 H GLN 30 -3.416 3.255 0.711
207 HA GLN 30 HA GLN 30 -1.627 5.304 0.488
208 HB2 GLN 30 1HB GLN 30 -4.223 4.961 -1.022
209 HB3 GLN 30 2HB GLN 30 -2.926 6.047 -1.505
210 HG2 GLN 30 1HG GLN 30 -1.417 4.137 -1.738
211 HG3 GLN 30 2HG GLN 30 -2.726 3.053 -1.268
212 HE21 GLN 30 1HE2 GLN 30 -1.481 2.614 -3.610
213 HE22 GLN 30 2HE2 GLN 30 -2.506 3.032 -4.936
214 H ARG 31 H ARG 31 -4.697 5.393 2.014
215 HA ARG 31 HA ARG 31 -5.299 8.133 1.787
216 HB2 ARG 31 1HB ARG 31 -5.990 6.192 4.000
217 HB3 ARG 31 2HB ARG 31 -6.726 7.773 3.775
218 HG2 ARG 31 1HG ARG 31 -7.747 7.099 1.737
219 HG3 ARG 31 2HG ARG 31 -6.826 5.594 1.707
220 HD2 ARG 31 1HD ARG 31 -8.018 4.731 3.573
221 HD3 ARG 31 2HD ARG 31 -8.756 6.297 3.906
222 HE ARG 31 HE ARG 31 -9.604 4.352 1.955
223 HH11 ARG 31 1HH1 ARG 31 -9.702 7.693 2.931
224 HH12 ARG 31 2HH1 ARG 31 -11.172 8.034 2.079
225 HH21 ARG 31 1HH2 ARG 31 -11.539 4.789 0.829
226 HH22 ARG 31 2HH2 ARG 31 -12.217 6.381 0.885
227 H ILE 32 H ILE 32 -3.435 6.319 4.191
228 HA ILE 32 HA ILE 32 -2.969 8.360 6.020
229 HB ILE 32 HB ILE 32 -1.259 7.060 6.924
230 HG12 ILE 32 1HG1 ILE 32 -0.863 5.803 4.200
231 HG13 ILE 32 2HG1 ILE 32 0.176 7.027 4.921
232 HG21 ILE 32 1HG2 ILE 32 -3.502 5.916 6.733
233 HG22 ILE 32 2HG2 ILE 32 -2.817 4.987 5.401
234 HG23 ILE 32 3HG2 ILE 32 -2.120 4.859 7.016
235 HD11 ILE 32 3HD1 ILE 32 1.157 4.825 5.124
236 HD12 ILE 32 1HD1 ILE 32 0.752 5.471 6.714
237 HD13 ILE 32 2HD1 ILE 32 -0.276 4.245 5.972
238 H HIS 33 H HIS 33 -1.547 7.772 2.897
239 HA HIS 33 HA HIS 33 0.697 9.511 3.250
240 HB2 HIS 33 1HB HIS 33 -0.584 8.247 0.831
241 HB3 HIS 33 2HB HIS 33 0.785 9.347 0.698
242 HD1 HIS 33 HD1 HIS 33 2.782 8.479 2.611
243 HD2 HIS 33 HD2 HIS 33 0.315 5.714 0.734
244 HE1 HIS 33 HE1 HIS 33 3.991 6.280 2.774
245 H THR 34 H THR 34 -2.601 10.022 2.736
246 HA THR 34 HA THR 34 -2.074 12.801 1.907
247 HB THR 34 HB THR 34 -4.241 12.809 0.723
248 HG1 THR 34 HG1 THR 34 -4.239 10.093 1.538
249 HG21 THR 34 3HG2 THR 34 -3.241 10.639 -0.790
250 HG22 THR 34 1HG2 THR 34 -1.853 11.460 -0.079
251 HG23 THR 34 2HG2 THR 34 -2.999 12.363 -1.070
252 H GLY 35 H GLY 35 -3.032 14.373 3.085
253 HA2 GLY 35 1HA GLY 35 -5.372 14.517 4.387
254 HA3 GLY 35 2HA GLY 35 -4.411 13.563 5.508
255 H GLU 36 H GLU 36 -5.510 16.073 6.135
256 HA GLU 36 HA GLU 36 -3.040 17.610 6.556
257 HB2 GLU 36 1HB GLU 36 -4.321 18.723 4.794
258 HB3 GLU 36 2HB GLU 36 -5.741 18.758 5.830
259 HG2 GLU 36 1HG GLU 36 -4.983 20.871 6.150
260 HG3 GLU 36 2HG GLU 36 -4.113 20.051 7.444
261 H ASN 37 H ASN 37 -2.782 16.982 8.663
262 HA ASN 37 HA ASN 37 -4.807 17.982 10.539
263 HB2 ASN 37 1HB ASN 37 -3.510 15.257 10.559
264 HB3 ASN 37 2HB ASN 37 -4.257 15.957 11.993
265 HD21 ASN 37 1HD2 ASN 37 -4.804 13.762 9.787
266 HD22 ASN 37 2HD2 ASN 37 -6.511 13.909 9.563
267 HA PRO 38 HA PRO 38 -1.452 19.838 12.676
268 HB2 PRO 38 1HB PRO 38 -2.338 19.748 15.240
269 HB3 PRO 38 2HB PRO 38 -3.019 20.838 14.027
270 HG2 PRO 38 1HG PRO 38 -4.053 18.203 14.999
271 HG3 PRO 38 2HG PRO 38 -4.941 19.703 14.677
272 HD2 PRO 38 1HD PRO 38 -4.897 17.633 12.932
273 HD3 PRO 38 2HD PRO 38 -5.007 19.325 12.404
274 H SER 39 H SER 39 -2.362 16.596 13.303
275 HA SER 39 HA SER 39 -0.790 15.764 15.378
276 HB2 SER 39 1HB SER 39 -2.291 14.263 14.147
277 HB3 SER 39 2HB SER 39 -1.213 14.313 12.752
278 HG SER 39 HG SER 39 -0.736 13.179 15.300
279 H GLY 40 H GLY 40 1.213 16.548 15.717
280 HA2 GLY 40 1HA GLY 40 3.232 15.951 13.654
281 HA3 GLY 40 2HA GLY 40 3.187 17.536 14.411
282 HA PRO 41 HA PRO 41 4.599 14.238 17.702
283 HB2 PRO 41 1HB PRO 41 5.710 12.006 16.627
284 HB3 PRO 41 2HB PRO 41 3.994 12.124 17.035
285 HG2 PRO 41 1HG PRO 41 5.334 12.437 14.377
286 HG3 PRO 41 2HG PRO 41 3.838 11.576 14.781
287 HD2 PRO 41 1HD PRO 41 3.844 14.050 13.678
288 HD3 PRO 41 2HD PRO 41 2.584 13.510 14.807
289 H SER 42 H SER 42 6.183 15.815 18.004
290 HA SER 42 HA SER 42 8.346 16.466 16.491
291 HB2 SER 42 1HB SER 42 7.844 17.628 18.566
292 HB3 SER 42 2HB SER 42 8.252 16.192 19.505
293 HG SER 42 HG SER 42 10.075 17.548 17.807
294 H SER 43 H SER 43 10.639 15.901 16.684
295 HA SER 43 HA SER 43 10.963 13.014 16.658
296 HB2 SER 43 1HB SER 43 11.970 14.068 14.794
297 HB3 SER 43 2HB SER 43 12.710 15.316 15.796
298 HG SER 43 HG SER 43 13.605 12.806 15.180
299 H GLY 44 H GLY 44 12.750 11.963 17.750
300 HA2 GLY 44 1HA GLY 44 13.334 13.261 20.336
301 HA3 GLY 44 2HA GLY 44 13.204 11.524 20.098
Start of MODEL 18
1 H1 GLY 1 H GLY 1 8.122 -14.894 11.709
2 HA2 GLY 1 1HA GLY 1 8.146 -16.593 13.559
3 HA3 GLY 1 2HA GLY 1 6.744 -15.536 13.613
4 H SER 2 H SER 2 4.869 -16.533 13.856
5 HA SER 2 HA SER 2 4.695 -19.395 13.400
6 HB2 SER 2 1HB SER 2 2.909 -17.367 14.726
7 HB3 SER 2 2HB SER 2 2.323 -18.989 14.357
8 HG SER 2 HG SER 2 4.366 -19.646 15.515
9 H SER 3 H SER 3 2.643 -16.603 12.540
10 HA SER 3 HA SER 3 1.797 -18.082 10.140
11 HB2 SER 3 1HB SER 3 -0.126 -17.603 11.434
12 HB3 SER 3 2HB SER 3 0.423 -15.966 11.793
13 HG SER 3 HG SER 3 -0.607 -15.357 10.081
14 H GLY 4 H GLY 4 1.888 -17.131 8.129
15 HA2 GLY 4 1HA GLY 4 3.064 -14.435 7.974
16 HA3 GLY 4 2HA GLY 4 3.811 -15.765 7.101
17 H SER 5 H SER 5 2.859 -13.411 5.883
18 HA SER 5 HA SER 5 0.306 -14.052 4.662
19 HB2 SER 5 1HB SER 5 1.103 -11.693 5.285
20 HB3 SER 5 2HB SER 5 2.137 -11.794 3.860
21 HG SER 5 HG SER 5 -0.110 -10.865 3.676
22 H SER 6 H SER 6 -0.025 -14.659 2.557
23 HA SER 6 HA SER 6 2.186 -14.874 0.707
24 HB2 SER 6 1HB SER 6 1.901 -17.311 0.358
25 HB3 SER 6 2HB SER 6 2.475 -16.936 1.982
26 HG SER 6 HG SER 6 0.705 -17.745 2.776
27 H GLY 7 H GLY 7 1.533 -14.964 -1.413
28 HA2 GLY 7 1HA GLY 7 -1.029 -15.768 -2.287
29 HA3 GLY 7 2HA GLY 7 -1.015 -14.024 -2.067
30 H GLU 8 H GLU 8 -1.260 -15.711 -4.506
31 HA GLU 8 HA GLU 8 1.149 -15.435 -6.002
32 HB2 GLU 8 1HB GLU 8 -0.234 -16.038 -7.942
33 HB3 GLU 8 2HB GLU 8 -0.504 -17.125 -6.588
34 HG2 GLU 8 1HG GLU 8 -2.549 -15.871 -6.025
35 HG3 GLU 8 2HG GLU 8 -2.291 -14.861 -7.447
36 H LYS 9 H LYS 9 -1.453 -13.326 -5.232
37 HA LYS 9 HA LYS 9 -0.425 -11.352 -7.165
38 HB2 LYS 9 1HB LYS 9 -3.224 -11.976 -6.297
39 HB3 LYS 9 2HB LYS 9 -2.819 -10.345 -6.815
40 HG2 LYS 9 1HG LYS 9 -2.171 -11.121 -8.981
41 HG3 LYS 9 2HG LYS 9 -2.329 -12.805 -8.477
42 HD2 LYS 9 1HD LYS 9 -4.639 -10.881 -8.410
43 HD3 LYS 9 2HD LYS 9 -4.239 -11.825 -9.846
44 HE2 LYS 9 1HE LYS 9 -4.580 -13.880 -8.669
45 HE3 LYS 9 2HE LYS 9 -4.743 -13.033 -7.132
46 HZ1 LYS 9 3HZ LYS 9 -6.908 -12.919 -7.505
47 HZ2 LYS 9 1HZ LYS 9 -6.736 -13.632 -9.030
48 HZ3 LYS 9 2HZ LYS 9 -6.627 -11.952 -8.864
49 H LEU 10 H LEU 10 0.139 -9.378 -6.410
50 HA LEU 10 HA LEU 10 -0.590 -8.635 -3.677
51 HB2 LEU 10 1HB LEU 10 1.591 -8.272 -2.949
52 HB3 LEU 10 2HB LEU 10 1.661 -9.827 -3.775
53 HG LEU 10 HG LEU 10 2.460 -7.264 -5.128
54 HD11 LEU 10 1HD1 LEU 10 4.799 -8.537 -4.509
55 HD12 LEU 10 2HD1 LEU 10 3.854 -8.745 -3.035
56 HD13 LEU 10 3HD1 LEU 10 4.148 -7.128 -3.672
57 HD21 LEU 10 3HD2 LEU 10 3.712 -9.851 -5.761
58 HD22 LEU 10 1HD2 LEU 10 3.159 -8.561 -6.830
59 HD23 LEU 10 2HD2 LEU 10 2.000 -9.713 -6.167
60 H HIS 11 H HIS 11 -0.921 -6.490 -3.396
61 HA HIS 11 HA HIS 11 -0.402 -4.756 -5.720
62 HB2 HIS 11 1HB HIS 11 -2.656 -4.877 -3.753
63 HB3 HIS 11 2HB HIS 11 -2.265 -3.341 -4.520
64 HD2 HIS 11 HD2 HIS 11 -4.298 -6.458 -5.222
65 HE1 HIS 11 HE1 HIS 11 -3.820 -4.483 -8.947
66 HE2 HIS 11 HE2 HIS 11 -5.098 -6.240 -7.672
67 H GLU 12 H GLU 12 1.628 -4.025 -5.138
68 HA GLU 12 HA GLU 12 2.187 -3.008 -2.518
69 HB2 GLU 12 1HB GLU 12 4.359 -2.696 -3.249
70 HB3 GLU 12 2HB GLU 12 3.818 -3.994 -4.304
71 HG2 GLU 12 1HG GLU 12 3.275 -2.252 -6.018
72 HG3 GLU 12 2HG GLU 12 4.071 -1.076 -4.973
73 H CYS 13 H CYS 13 2.760 -0.810 -2.020
74 HA CYS 13 HA CYS 13 0.885 1.066 -3.100
75 HB2 CYS 13 1HB CYS 13 1.890 0.852 -0.674
76 HB3 CYS 13 2HB CYS 13 3.144 1.902 -1.325
77 H SER 14 H SER 14 1.852 3.414 -3.454
78 HA SER 14 HA SER 14 3.934 3.129 -5.518
79 HB2 SER 14 1HB SER 14 1.879 3.822 -6.536
80 HB3 SER 14 2HB SER 14 1.615 5.056 -5.304
81 HG SER 14 HG SER 14 3.270 5.086 -7.531
82 H GLU 15 H GLU 15 2.959 4.811 -2.647
83 HA GLU 15 HA GLU 15 5.091 6.778 -2.885
84 HB2 GLU 15 1HB GLU 15 2.746 6.386 -1.098
85 HB3 GLU 15 2HB GLU 15 4.127 7.251 -0.438
86 HG2 GLU 15 1HG GLU 15 2.689 7.989 -2.976
87 HG3 GLU 15 2HG GLU 15 2.414 8.734 -1.403
88 H CYS 16 H CYS 16 4.152 4.132 -0.704
89 HA CYS 16 HA CYS 16 6.879 4.152 0.398
90 HB2 CYS 16 1HB CYS 16 5.985 2.958 2.311
91 HB3 CYS 16 2HB CYS 16 5.022 4.404 2.024
92 H ARG 17 H ARG 17 4.891 2.512 -1.751
93 HA ARG 17 HA ARG 17 5.030 0.525 -2.851
94 HB2 ARG 17 1HB ARG 17 7.902 0.552 -1.912
95 HB3 ARG 17 2HB ARG 17 7.252 -0.351 -3.273
96 HG2 ARG 17 1HG ARG 17 7.245 2.652 -3.098
97 HG3 ARG 17 2HG ARG 17 8.508 1.707 -3.891
98 HD2 ARG 17 1HD ARG 17 6.487 0.641 -5.166
99 HD3 ARG 17 2HD ARG 17 5.660 2.121 -4.683
100 HE ARG 17 HE ARG 17 6.841 3.227 -6.286
101 HH11 ARG 17 1HH1 ARG 17 8.536 0.292 -5.493
102 HH12 ARG 17 2HH1 ARG 17 9.743 0.503 -6.719
103 HH21 ARG 17 1HH2 ARG 17 8.424 3.517 -7.903
104 HH22 ARG 17 2HH2 ARG 17 9.678 2.339 -8.088
105 H LYS 18 H LYS 18 3.822 0.171 -0.516
106 HA LYS 18 HA LYS 18 5.103 -2.132 0.782
107 HB2 LYS 18 1HB LYS 18 4.232 -0.091 2.099
108 HB3 LYS 18 2HB LYS 18 2.629 -0.736 1.771
109 HG2 LYS 18 1HG LYS 18 3.158 -2.775 2.938
110 HG3 LYS 18 2HG LYS 18 4.826 -2.248 3.168
111 HD2 LYS 18 1HD LYS 18 4.214 -0.593 4.703
112 HD3 LYS 18 2HD LYS 18 2.524 -0.620 4.195
113 HE2 LYS 18 1HE LYS 18 2.041 -2.480 5.430
114 HE3 LYS 18 2HE LYS 18 3.681 -3.116 5.315
115 HZ1 LYS 18 3HZ LYS 18 3.068 -0.698 6.900
116 HZ2 LYS 18 1HZ LYS 18 4.420 -1.710 7.001
117 HZ3 LYS 18 2HZ LYS 18 2.917 -2.248 7.559
118 H THR 19 H THR 19 4.303 -4.131 0.567
119 HA THR 19 HA THR 19 2.132 -4.573 -1.276
120 HB THR 19 HB THR 19 2.679 -6.879 -1.191
121 HG1 THR 19 HG1 THR 19 2.824 -7.004 1.137
122 HG21 THR 19 3HG2 THR 19 5.258 -5.357 -0.801
123 HG22 THR 19 1HG2 THR 19 4.355 -5.459 -2.312
124 HG23 THR 19 2HG2 THR 19 5.074 -6.910 -1.615
125 H PHE 20 H PHE 20 0.238 -5.804 -0.826
126 HA PHE 20 HA PHE 20 -0.499 -6.071 1.995
127 HB2 PHE 20 1HB PHE 20 -2.122 -4.587 -0.081
128 HB3 PHE 20 2HB PHE 20 -2.732 -5.058 1.502
129 HD1 PHE 20 HD1 PHE 20 -0.078 -3.062 -0.156
130 HD2 PHE 20 HD2 PHE 20 -2.418 -3.678 3.346
131 HE1 PHE 20 HE1 PHE 20 0.810 -0.976 0.801
132 HE2 PHE 20 HE2 PHE 20 -1.535 -1.593 4.307
133 HZ PHE 20 HZ PHE 20 0.081 -0.238 3.034
134 H SER 21 H SER 21 -2.489 -7.368 2.290
135 HA SER 21 HA SER 21 -2.344 -9.776 0.842
136 HB2 SER 21 1HB SER 21 -4.205 -8.658 2.900
137 HB3 SER 21 2HB SER 21 -4.682 -10.116 2.030
138 HG SER 21 HG SER 21 -3.562 -10.809 3.787
139 H PHE 22 H PHE 22 -4.729 -7.145 0.768
140 HA PHE 22 HA PHE 22 -5.476 -7.989 -1.936
141 HB2 PHE 22 1HB PHE 22 -7.467 -7.349 0.250
142 HB3 PHE 22 2HB PHE 22 -7.864 -7.672 -1.434
143 HD1 PHE 22 HD1 PHE 22 -6.761 -9.131 1.732
144 HD2 PHE 22 HD2 PHE 22 -7.796 -9.910 -2.322
145 HE1 PHE 22 HE1 PHE 22 -6.916 -11.534 2.237
146 HE2 PHE 22 HE2 PHE 22 -7.954 -12.314 -1.823
147 HZ PHE 22 HZ PHE 22 -7.515 -13.129 0.459
148 H HIS 23 H HIS 23 -6.204 -6.332 -3.284
149 HA HIS 23 HA HIS 23 -5.052 -3.853 -3.045
150 HB2 HIS 23 1HB HIS 23 -6.219 -4.961 -5.073
151 HB3 HIS 23 2HB HIS 23 -7.680 -4.184 -4.470
152 HD2 HIS 23 HD2 HIS 23 -7.312 -1.243 -4.246
153 HE1 HIS 23 HE1 HIS 23 -4.541 -1.249 -7.459
154 HE2 HIS 23 HE2 HIS 23 -5.973 0.170 -5.949
155 H SER 24 H SER 24 -8.285 -4.846 -2.017
156 HA SER 24 HA SER 24 -9.525 -2.527 -1.404
157 HB2 SER 24 1HB SER 24 -10.286 -4.929 -0.918
158 HB3 SER 24 2HB SER 24 -9.442 -4.761 0.621
159 HG SER 24 HG SER 24 -10.797 -2.692 0.694
160 H GLN 25 H GLN 25 -7.281 -4.181 0.822
161 HA GLN 25 HA GLN 25 -7.247 -2.186 2.783
162 HB2 GLN 25 1HB GLN 25 -5.472 -4.463 2.055
163 HB3 GLN 25 2HB GLN 25 -4.832 -3.248 3.153
164 HG2 GLN 25 1HG GLN 25 -7.518 -4.368 3.727
165 HG3 GLN 25 2HG GLN 25 -6.109 -5.385 4.020
166 HE21 GLN 25 1HE2 GLN 25 -7.418 -2.170 4.694
167 HE22 GLN 25 2HE2 GLN 25 -6.713 -2.019 6.264
168 H LEU 26 H LEU 26 -4.873 -2.809 0.195
169 HA LEU 26 HA LEU 26 -3.043 -0.886 0.540
170 HB2 LEU 26 1HB LEU 26 -2.862 -2.263 -1.361
171 HB3 LEU 26 2HB LEU 26 -4.417 -1.727 -1.993
172 HG LEU 26 HG LEU 26 -3.486 0.424 -2.576
173 HD11 LEU 26 1HD1 LEU 26 -0.770 0.264 -2.319
174 HD12 LEU 26 2HD1 LEU 26 -1.333 -0.455 -0.811
175 HD13 LEU 26 3HD1 LEU 26 -1.845 1.172 -1.256
176 HD21 LEU 26 3HD2 LEU 26 -1.614 -1.750 -3.499
177 HD22 LEU 26 1HD2 LEU 26 -2.008 -0.250 -4.338
178 HD23 LEU 26 2HD2 LEU 26 -3.239 -1.496 -4.137
179 H VAL 27 H VAL 27 -5.939 -0.221 -1.438
180 HA VAL 27 HA VAL 27 -5.731 2.444 -1.812
181 HB VAL 27 HB VAL 27 -8.328 1.159 -0.965
182 HG11 VAL 27 1HG1 VAL 27 -9.343 3.024 -1.647
183 HG12 VAL 27 2HG1 VAL 27 -7.747 3.778 -1.635
184 HG13 VAL 27 3HG1 VAL 27 -8.389 3.093 -3.129
185 HG21 VAL 27 3HG2 VAL 27 -8.191 1.204 -3.751
186 HG22 VAL 27 1HG2 VAL 27 -6.625 0.587 -3.222
187 HG23 VAL 27 2HG2 VAL 27 -8.110 -0.213 -2.704
188 H ILE 28 H ILE 28 -7.121 0.933 1.095
189 HA ILE 28 HA ILE 28 -7.729 3.289 2.472
190 HB ILE 28 HB ILE 28 -6.913 0.634 3.658
191 HG12 ILE 28 1HG1 ILE 28 -9.717 1.644 3.193
192 HG13 ILE 28 2HG1 ILE 28 -8.861 0.675 1.998
193 HG21 ILE 28 1HG2 ILE 28 -8.731 2.619 4.959
194 HG22 ILE 28 2HG2 ILE 28 -7.775 1.329 5.688
195 HG23 ILE 28 3HG2 ILE 28 -6.981 2.790 5.099
196 HD11 ILE 28 3HD1 ILE 28 -10.274 -0.154 4.349
197 HD12 ILE 28 1HD1 ILE 28 -9.622 -1.125 3.028
198 HD13 ILE 28 2HD1 ILE 28 -8.601 -0.710 4.406
199 H HIS 29 H HIS 29 -4.748 1.412 2.311
200 HA HIS 29 HA HIS 29 -3.342 2.761 4.340
201 HB2 HIS 29 1HB HIS 29 -2.464 0.686 3.582
202 HB3 HIS 29 2HB HIS 29 -2.425 1.231 1.908
203 HD1 HIS 29 HD1 HIS 29 -0.608 1.653 5.178
204 HD2 HIS 29 HD2 HIS 29 -0.132 2.574 1.155
205 HE1 HIS 29 HE1 HIS 29 1.761 2.464 4.950
206 H GLN 30 H GLN 30 -3.101 3.164 0.801
207 HA GLN 30 HA GLN 30 -1.382 5.224 0.573
208 HB2 GLN 30 1HB GLN 30 -4.019 5.022 -0.893
209 HB3 GLN 30 2HB GLN 30 -2.634 5.976 -1.407
210 HG2 GLN 30 1HG GLN 30 -1.314 3.948 -1.662
211 HG3 GLN 30 2HG GLN 30 -2.684 2.981 -1.117
212 HE21 GLN 30 1HE2 GLN 30 -1.076 3.369 -3.720
213 HE22 GLN 30 2HE2 GLN 30 -2.306 3.456 -4.929
214 H ARG 31 H ARG 31 -4.547 5.372 1.985
215 HA ARG 31 HA ARG 31 -5.069 8.105 1.856
216 HB2 ARG 31 1HB ARG 31 -5.746 6.202 4.106
217 HB3 ARG 31 2HB ARG 31 -6.507 7.760 3.811
218 HG2 ARG 31 1HG ARG 31 -7.372 6.941 1.681
219 HG3 ARG 31 2HG ARG 31 -6.601 5.380 1.969
220 HD2 ARG 31 1HD ARG 31 -8.964 5.294 2.543
221 HD3 ARG 31 2HD ARG 31 -7.964 5.081 3.980
222 HE ARG 31 HE ARG 31 -8.855 7.004 4.832
223 HH11 ARG 31 1HH1 ARG 31 -9.449 6.910 1.403
224 HH12 ARG 31 2HH1 ARG 31 -10.465 8.313 1.409
225 HH21 ARG 31 1HH2 ARG 31 -10.192 8.852 4.853
226 HH22 ARG 31 2HH2 ARG 31 -10.886 9.418 3.371
227 H ILE 32 H ILE 32 -3.585 6.318 4.566
228 HA ILE 32 HA ILE 32 -2.971 8.224 6.329
229 HB ILE 32 HB ILE 32 -1.115 6.998 7.069
230 HG12 ILE 32 1HG1 ILE 32 -0.833 5.849 4.283
231 HG13 ILE 32 2HG1 ILE 32 0.163 7.140 4.946
232 HG21 ILE 32 1HG2 ILE 32 -1.859 4.744 7.079
233 HG22 ILE 32 2HG2 ILE 32 -3.300 5.755 6.977
234 HG23 ILE 32 3HG2 ILE 32 -2.689 4.941 5.536
235 HD11 ILE 32 3HD1 ILE 32 1.554 5.476 5.474
236 HD12 ILE 32 1HD1 ILE 32 0.463 5.224 6.836
237 HD13 ILE 32 2HD1 ILE 32 0.289 4.251 5.375
238 H HIS 33 H HIS 33 -1.358 7.801 3.226
239 HA HIS 33 HA HIS 33 0.600 9.838 3.699
240 HB2 HIS 33 1HB HIS 33 -0.292 8.557 1.107
241 HB3 HIS 33 2HB HIS 33 1.137 9.567 1.309
242 HD1 HIS 33 HD1 HIS 33 2.729 8.494 3.436
243 HD2 HIS 33 HD2 HIS 33 0.397 5.956 1.116
244 HE1 HIS 33 HE1 HIS 33 3.738 6.208 3.718
245 H THR 34 H THR 34 -2.431 9.652 1.868
246 HA THR 34 HA THR 34 -2.287 12.507 1.281
247 HB THR 34 HB THR 34 -4.273 12.147 -0.110
248 HG1 THR 34 HG1 THR 34 -4.112 9.370 0.309
249 HG21 THR 34 3HG2 THR 34 -3.073 11.320 -1.834
250 HG22 THR 34 1HG2 THR 34 -2.644 9.848 -0.964
251 HG23 THR 34 2HG2 THR 34 -1.746 11.338 -0.673
252 H GLY 35 H GLY 35 -3.010 13.854 2.796
253 HA2 GLY 35 1HA GLY 35 -4.609 14.888 4.127
254 HA3 GLY 35 2HA GLY 35 -5.677 13.518 3.858
255 H GLU 36 H GLU 36 -2.381 13.376 5.105
256 HA GLU 36 HA GLU 36 -3.087 13.225 7.842
257 HB2 GLU 36 1HB GLU 36 -3.026 10.698 6.275
258 HB3 GLU 36 2HB GLU 36 -2.281 10.677 7.867
259 HG2 GLU 36 1HG GLU 36 -4.571 11.826 8.540
260 HG3 GLU 36 2HG GLU 36 -5.127 10.967 7.105
261 H ASN 37 H ASN 37 -1.251 12.669 9.215
262 HA ASN 37 HA ASN 37 1.320 12.949 7.803
263 HB2 ASN 37 1HB ASN 37 0.530 14.128 10.476
264 HB3 ASN 37 2HB ASN 37 2.132 14.238 9.752
265 HD21 ASN 37 1HD2 ASN 37 -1.237 15.144 9.362
266 HD22 ASN 37 2HD2 ASN 37 -0.943 16.532 8.376
267 HA PRO 38 HA PRO 38 1.453 9.002 10.185
268 HB2 PRO 38 1HB PRO 38 2.863 7.659 8.293
269 HB3 PRO 38 2HB PRO 38 1.101 7.802 8.258
270 HG2 PRO 38 1HG PRO 38 3.159 9.369 6.751
271 HG3 PRO 38 2HG PRO 38 1.622 8.696 6.176
272 HD2 PRO 38 1HD PRO 38 1.916 11.308 6.829
273 HD3 PRO 38 2HD PRO 38 0.388 10.433 7.056
274 H SER 39 H SER 39 3.051 8.483 11.562
275 HA SER 39 HA SER 39 5.549 9.941 11.396
276 HB2 SER 39 1HB SER 39 4.343 8.135 13.493
277 HB3 SER 39 2HB SER 39 5.975 8.788 13.630
278 HG SER 39 HG SER 39 3.701 10.420 13.209
279 H GLY 40 H GLY 40 6.843 9.073 9.843
280 HA2 GLY 40 1HA GLY 40 8.661 7.209 10.149
281 HA3 GLY 40 2HA GLY 40 7.277 6.175 9.826
282 HA PRO 41 HA PRO 41 8.404 8.737 5.835
283 HB2 PRO 41 1HB PRO 41 11.034 9.395 5.690
284 HB3 PRO 41 2HB PRO 41 9.811 10.472 6.374
285 HG2 PRO 41 1HG PRO 41 11.730 8.652 7.776
286 HG3 PRO 41 2HG PRO 41 11.269 10.317 8.178
287 HD2 PRO 41 1HD PRO 41 10.231 8.168 9.459
288 HD3 PRO 41 2HD PRO 41 9.308 9.661 9.196
289 H SER 42 H SER 42 9.768 8.099 3.923
290 HA SER 42 HA SER 42 10.842 5.377 4.277
291 HB2 SER 42 1HB SER 42 9.985 4.871 1.998
292 HB3 SER 42 2HB SER 42 8.696 5.258 3.138
293 HG SER 42 HG SER 42 8.415 6.351 1.157
294 H SER 43 H SER 43 12.853 5.053 3.580
295 HA SER 43 HA SER 43 13.979 6.341 1.314
296 HB2 SER 43 1HB SER 43 14.018 8.162 3.119
297 HB3 SER 43 2HB SER 43 15.241 7.179 3.922
298 HG SER 43 HG SER 43 16.284 7.260 1.713
299 H GLY 44 H GLY 44 15.831 5.328 0.626
300 HA2 GLY 44 1HA GLY 44 17.839 4.056 1.085
301 HA3 GLY 44 2HA GLY 44 17.000 3.319 2.441
Start of MODEL 19
1 H1 GLY 1 H GLY 1 20.545 -14.892 -0.107
2 HA2 GLY 1 1HA GLY 1 20.684 -14.601 -2.676
3 HA3 GLY 1 2HA GLY 1 21.948 -15.813 -2.522
4 H SER 2 H SER 2 18.520 -15.188 -2.313
5 HA SER 2 HA SER 2 17.900 -17.881 -3.034
6 HB2 SER 2 1HB SER 2 18.337 -17.855 -0.455
7 HB3 SER 2 2HB SER 2 16.748 -17.094 -0.376
8 HG SER 2 HG SER 2 16.806 -19.460 -0.234
9 H SER 3 H SER 3 15.517 -18.220 -3.189
10 HA SER 3 HA SER 3 13.732 -16.018 -3.002
11 HB2 SER 3 1HB SER 3 13.331 -15.768 -5.469
12 HB3 SER 3 2HB SER 3 14.895 -15.157 -4.929
13 HG SER 3 HG SER 3 14.415 -16.974 -6.787
14 H GLY 4 H GLY 4 11.642 -16.544 -4.314
15 HA2 GLY 4 1HA GLY 4 11.077 -19.179 -5.108
16 HA3 GLY 4 2HA GLY 4 10.676 -19.020 -3.404
17 H SER 5 H SER 5 8.793 -18.084 -2.832
18 HA SER 5 HA SER 5 7.064 -17.178 -5.022
19 HB2 SER 5 1HB SER 5 6.560 -18.435 -2.356
20 HB3 SER 5 2HB SER 5 5.308 -17.412 -3.060
21 HG SER 5 HG SER 5 4.836 -19.306 -3.942
22 H SER 6 H SER 6 8.063 -15.081 -5.105
23 HA SER 6 HA SER 6 7.305 -13.332 -2.857
24 HB2 SER 6 1HB SER 6 9.130 -11.883 -3.423
25 HB3 SER 6 2HB SER 6 9.771 -13.526 -3.370
26 HG SER 6 HG SER 6 9.064 -13.289 -5.808
27 H GLY 7 H GLY 7 6.525 -11.207 -3.372
28 HA2 GLY 7 1HA GLY 7 4.864 -9.977 -4.425
29 HA3 GLY 7 2HA GLY 7 6.045 -9.994 -5.726
30 H GLU 8 H GLU 8 3.662 -12.256 -4.330
31 HA GLU 8 HA GLU 8 3.168 -13.490 -6.860
32 HB2 GLU 8 1HB GLU 8 1.851 -13.689 -4.160
33 HB3 GLU 8 2HB GLU 8 1.217 -14.538 -5.563
34 HG2 GLU 8 1HG GLU 8 4.089 -14.861 -4.847
35 HG3 GLU 8 2HG GLU 8 2.862 -15.716 -3.913
36 H LYS 9 H LYS 9 2.642 -11.575 -8.098
37 HA LYS 9 HA LYS 9 1.261 -9.925 -8.917
38 HB2 LYS 9 1HB LYS 9 -0.815 -12.081 -8.512
39 HB3 LYS 9 2HB LYS 9 -0.824 -10.809 -9.727
40 HG2 LYS 9 1HG LYS 9 0.716 -11.862 -11.045
41 HG3 LYS 9 2HG LYS 9 1.461 -12.710 -9.688
42 HD2 LYS 9 1HD LYS 9 -1.333 -13.333 -10.598
43 HD3 LYS 9 2HD LYS 9 0.075 -14.090 -11.346
44 HE2 LYS 9 1HE LYS 9 0.747 -15.044 -9.250
45 HE3 LYS 9 2HE LYS 9 -0.500 -14.145 -8.387
46 HZ1 LYS 9 3HZ LYS 9 -0.692 -16.656 -9.670
47 HZ2 LYS 9 1HZ LYS 9 -1.797 -15.580 -10.365
48 HZ3 LYS 9 2HZ LYS 9 -1.831 -15.869 -8.699
49 H LEU 10 H LEU 10 1.609 -9.613 -6.140
50 HA LEU 10 HA LEU 10 -1.027 -9.034 -5.045
51 HB2 LEU 10 1HB LEU 10 1.666 -8.544 -3.791
52 HB3 LEU 10 2HB LEU 10 0.101 -8.572 -2.983
53 HG LEU 10 HG LEU 10 1.312 -10.994 -4.302
54 HD11 LEU 10 1HD1 LEU 10 2.596 -9.857 -2.313
55 HD12 LEU 10 2HD1 LEU 10 2.372 -11.605 -2.369
56 HD13 LEU 10 3HD1 LEU 10 1.327 -10.615 -1.350
57 HD21 LEU 10 3HD2 LEU 10 -0.571 -11.181 -2.041
58 HD22 LEU 10 1HD2 LEU 10 -0.452 -12.154 -3.508
59 HD23 LEU 10 2HD2 LEU 10 -1.242 -10.578 -3.558
60 H HIS 11 H HIS 11 -1.543 -6.933 -4.166
61 HA HIS 11 HA HIS 11 -0.560 -4.794 -5.887
62 HB2 HIS 11 1HB HIS 11 -2.990 -5.214 -4.208
63 HB3 HIS 11 2HB HIS 11 -2.479 -3.560 -4.529
64 HD2 HIS 11 HD2 HIS 11 -4.145 -6.545 -6.349
65 HE1 HIS 11 HE1 HIS 11 -3.867 -3.323 -9.096
66 HE2 HIS 11 HE2 HIS 11 -4.883 -5.581 -8.633
67 H GLU 12 H GLU 12 0.834 -3.296 -5.232
68 HA GLU 12 HA GLU 12 1.274 -2.975 -2.335
69 HB2 GLU 12 1HB GLU 12 3.597 -2.664 -2.704
70 HB3 GLU 12 2HB GLU 12 3.141 -4.091 -3.623
71 HG2 GLU 12 1HG GLU 12 2.903 -2.497 -5.613
72 HG3 GLU 12 2HG GLU 12 3.805 -1.350 -4.625
73 H CYS 13 H CYS 13 2.121 -0.845 -1.693
74 HA CYS 13 HA CYS 13 0.534 1.243 -2.763
75 HB2 CYS 13 1HB CYS 13 1.373 1.025 -0.374
76 HB3 CYS 13 2HB CYS 13 2.932 1.591 -0.965
77 H SER 14 H SER 14 1.487 3.389 -3.417
78 HA SER 14 HA SER 14 3.664 2.923 -5.344
79 HB2 SER 14 1HB SER 14 1.358 3.572 -6.211
80 HB3 SER 14 2HB SER 14 1.629 5.151 -5.473
81 HG SER 14 HG SER 14 2.956 3.942 -7.636
82 H GLU 15 H GLU 15 2.810 4.568 -2.509
83 HA GLU 15 HA GLU 15 4.786 6.684 -2.903
84 HB2 GLU 15 1HB GLU 15 2.652 6.176 -0.851
85 HB3 GLU 15 2HB GLU 15 3.944 7.327 -0.535
86 HG2 GLU 15 1HG GLU 15 3.302 8.645 -2.443
87 HG3 GLU 15 2HG GLU 15 2.088 7.452 -2.900
88 H CYS 16 H CYS 16 4.102 3.965 -0.735
89 HA CYS 16 HA CYS 16 6.843 4.180 0.313
90 HB2 CYS 16 1HB CYS 16 6.024 2.764 2.187
91 HB3 CYS 16 2HB CYS 16 5.175 4.301 2.061
92 H ARG 17 H ARG 17 4.849 2.370 -1.728
93 HA ARG 17 HA ARG 17 5.155 0.451 -2.910
94 HB2 ARG 17 1HB ARG 17 7.987 0.794 -1.916
95 HB3 ARG 17 2HB ARG 17 7.500 -0.422 -3.089
96 HG2 ARG 17 1HG ARG 17 7.083 2.526 -3.501
97 HG3 ARG 17 2HG ARG 17 8.522 1.660 -4.041
98 HD2 ARG 17 1HD ARG 17 5.846 0.599 -4.800
99 HD3 ARG 17 2HD ARG 17 6.455 2.025 -5.638
100 HE ARG 17 HE ARG 17 7.458 -0.681 -5.840
101 HH11 ARG 17 1HH1 ARG 17 8.058 2.701 -6.412
102 HH12 ARG 17 2HH1 ARG 17 9.253 2.416 -7.633
103 HH21 ARG 17 1HH2 ARG 17 9.031 -1.068 -7.447
104 HH22 ARG 17 2HH2 ARG 17 9.805 0.272 -8.221
105 H LYS 18 H LYS 18 4.080 0.209 -0.352
106 HA LYS 18 HA LYS 18 5.351 -2.127 0.853
107 HB2 LYS 18 1HB LYS 18 3.319 -0.136 1.718
108 HB3 LYS 18 2HB LYS 18 3.199 -1.753 2.401
109 HG2 LYS 18 1HG LYS 18 5.430 -1.600 3.286
110 HG3 LYS 18 2HG LYS 18 5.677 -0.044 2.489
111 HD2 LYS 18 1HD LYS 18 5.114 0.692 4.575
112 HD3 LYS 18 2HD LYS 18 3.501 0.586 3.866
113 HE2 LYS 18 1HE LYS 18 3.367 -0.447 5.991
114 HE3 LYS 18 2HE LYS 18 3.371 -1.750 4.804
115 HZ1 LYS 18 3HZ LYS 18 5.130 -2.606 5.810
116 HZ2 LYS 18 1HZ LYS 18 5.132 -1.349 6.942
117 HZ3 LYS 18 2HZ LYS 18 6.021 -1.200 5.511
118 H THR 19 H THR 19 4.368 -4.129 1.032
119 HA THR 19 HA THR 19 2.405 -4.715 -1.023
120 HB THR 19 HB THR 19 2.791 -7.088 -0.405
121 HG1 THR 19 HG1 THR 19 3.353 -6.650 1.824
122 HG21 THR 19 3HG2 THR 19 4.521 -5.337 -1.713
123 HG22 THR 19 1HG2 THR 19 4.512 -7.097 -1.829
124 HG23 THR 19 2HG2 THR 19 5.562 -6.295 -0.660
125 H PHE 20 H PHE 20 0.408 -5.713 -0.668
126 HA PHE 20 HA PHE 20 -0.558 -5.758 2.106
127 HB2 PHE 20 1HB PHE 20 -2.010 -4.521 -0.243
128 HB3 PHE 20 2HB PHE 20 -2.695 -4.748 1.363
129 HD1 PHE 20 HD1 PHE 20 0.103 -3.081 -0.424
130 HD2 PHE 20 HD2 PHE 20 -2.455 -3.101 2.978
131 HE1 PHE 20 HE1 PHE 20 1.001 -0.895 0.260
132 HE2 PHE 20 HE2 PHE 20 -1.561 -0.915 3.667
133 HZ PHE 20 HZ PHE 20 0.169 0.191 2.307
134 H SER 21 H SER 21 -2.274 -7.203 2.519
135 HA SER 21 HA SER 21 -2.153 -9.631 1.116
136 HB2 SER 21 1HB SER 21 -4.046 -10.328 2.529
137 HB3 SER 21 2HB SER 21 -2.813 -9.496 3.477
138 HG SER 21 HG SER 21 -5.405 -8.736 2.873
139 H PHE 22 H PHE 22 -4.608 -7.067 1.112
140 HA PHE 22 HA PHE 22 -5.541 -8.070 -1.482
141 HB2 PHE 22 1HB PHE 22 -7.465 -7.082 0.617
142 HB3 PHE 22 2HB PHE 22 -7.832 -7.925 -0.885
143 HD1 PHE 22 HD2 PHE 22 -6.321 -10.266 -0.963
144 HD2 PHE 22 HD1 PHE 22 -7.941 -8.334 2.466
145 HE1 PHE 22 HE2 PHE 22 -6.320 -12.411 0.241
146 HE2 PHE 22 HE1 PHE 22 -7.941 -10.477 3.676
147 HZ PHE 22 HZ PHE 22 -7.132 -12.519 2.564
148 H HIS 23 H HIS 23 -5.835 -6.525 -2.974
149 HA HIS 23 HA HIS 23 -4.812 -4.032 -2.869
150 HB2 HIS 23 1HB HIS 23 -5.847 -5.240 -4.869
151 HB3 HIS 23 2HB HIS 23 -7.384 -4.551 -4.355
152 HD2 HIS 23 HD2 HIS 23 -6.443 -1.491 -3.766
153 HE1 HIS 23 HE1 HIS 23 -4.961 -1.591 -7.740
154 HE2 HIS 23 HE2 HIS 23 -5.559 -0.128 -5.779
155 H SER 24 H SER 24 -8.206 -4.820 -2.141
156 HA SER 24 HA SER 24 -9.369 -2.470 -1.663
157 HB2 SER 24 1HB SER 24 -9.442 -4.907 0.122
158 HB3 SER 24 2HB SER 24 -10.519 -3.527 0.335
159 HG SER 24 HG SER 24 -10.302 -4.792 -2.170
160 H GLN 25 H GLN 25 -7.218 -4.044 0.697
161 HA GLN 25 HA GLN 25 -7.291 -1.989 2.610
162 HB2 GLN 25 1HB GLN 25 -5.467 -4.280 2.040
163 HB3 GLN 25 2HB GLN 25 -4.924 -3.041 3.164
164 HG2 GLN 25 1HG GLN 25 -7.626 -4.224 3.537
165 HG3 GLN 25 2HG GLN 25 -6.209 -5.168 3.994
166 HE21 GLN 25 1HE2 GLN 25 -4.524 -3.552 5.131
167 HE22 GLN 25 2HE2 GLN 25 -5.205 -2.715 6.479
168 H LEU 26 H LEU 26 -4.808 -2.713 0.155
169 HA LEU 26 HA LEU 26 -2.987 -0.778 0.528
170 HB2 LEU 26 1HB LEU 26 -2.668 -2.210 -1.296
171 HB3 LEU 26 2HB LEU 26 -4.213 -1.771 -2.021
172 HG LEU 26 HG LEU 26 -3.343 0.365 -2.708
173 HD11 LEU 26 1HD1 LEU 26 -0.595 -0.258 -1.779
174 HD12 LEU 26 2HD1 LEU 26 -1.753 0.344 -0.594
175 HD13 LEU 26 3HD1 LEU 26 -1.383 1.300 -2.029
176 HD21 LEU 26 3HD2 LEU 26 -1.706 -2.051 -3.375
177 HD22 LEU 26 1HD2 LEU 26 -1.326 -0.481 -4.083
178 HD23 LEU 26 2HD2 LEU 26 -2.909 -1.211 -4.354
179 H VAL 27 H VAL 27 -5.757 -0.201 -1.648
180 HA VAL 27 HA VAL 27 -5.508 2.460 -2.091
181 HB VAL 27 HB VAL 27 -8.160 1.164 -1.457
182 HG11 VAL 27 1HG1 VAL 27 -7.327 3.725 -2.627
183 HG12 VAL 27 2HG1 VAL 27 -8.582 2.868 -3.525
184 HG13 VAL 27 3HG1 VAL 27 -8.833 3.277 -1.827
185 HG21 VAL 27 3HG2 VAL 27 -6.263 0.508 -3.486
186 HG22 VAL 27 1HG2 VAL 27 -7.861 -0.180 -3.199
187 HG23 VAL 27 2HG2 VAL 27 -7.683 1.231 -4.241
188 H ILE 28 H ILE 28 -7.047 0.989 0.751
189 HA ILE 28 HA ILE 28 -7.817 3.390 1.996
190 HB ILE 28 HB ILE 28 -7.112 0.773 3.329
191 HG12 ILE 28 1HG1 ILE 28 -9.872 1.716 2.579
192 HG13 ILE 28 2HG1 ILE 28 -8.889 0.774 1.464
193 HG21 ILE 28 1HG2 ILE 28 -9.199 2.331 4.569
194 HG22 ILE 28 2HG2 ILE 28 -7.713 1.684 5.265
195 HG23 ILE 28 3HG2 ILE 28 -7.699 3.251 4.455
196 HD11 ILE 28 3HD1 ILE 28 -10.627 -0.322 3.153
197 HD12 ILE 28 1HD1 ILE 28 -9.150 -1.135 2.638
198 HD13 ILE 28 2HD1 ILE 28 -9.204 -0.305 4.193
199 H HIS 29 H HIS 29 -4.832 1.522 2.114
200 HA HIS 29 HA HIS 29 -3.612 2.925 4.237
201 HB2 HIS 29 1HB HIS 29 -2.609 0.876 3.726
202 HB3 HIS 29 2HB HIS 29 -2.577 1.213 1.998
203 HD1 HIS 29 HD1 HIS 29 -0.597 1.563 5.089
204 HD2 HIS 29 HD2 HIS 29 -0.476 2.985 1.187
205 HE1 HIS 29 HE1 HIS 29 1.716 2.502 4.787
206 H GLN 30 H GLN 30 -3.135 3.225 0.714
207 HA GLN 30 HA GLN 30 -1.348 5.191 0.466
208 HB2 GLN 30 1HB GLN 30 -3.992 4.978 -0.973
209 HB3 GLN 30 2HB GLN 30 -2.724 6.099 -1.452
210 HG2 GLN 30 1HG GLN 30 -1.200 4.182 -1.766
211 HG3 GLN 30 2HG GLN 30 -2.536 3.096 -1.385
212 HE21 GLN 30 1HE2 GLN 30 -2.701 2.096 -3.324
213 HE22 GLN 30 2HE2 GLN 30 -3.149 2.895 -4.789
214 H ARG 31 H ARG 31 -4.569 5.587 1.765
215 HA ARG 31 HA ARG 31 -4.829 8.351 1.686
216 HB2 ARG 31 1HB ARG 31 -5.771 6.455 3.845
217 HB3 ARG 31 2HB ARG 31 -6.352 8.097 3.608
218 HG2 ARG 31 1HG ARG 31 -7.224 7.476 1.413
219 HG3 ARG 31 2HG ARG 31 -6.641 5.827 1.651
220 HD2 ARG 31 1HD ARG 31 -8.808 5.574 2.325
221 HD3 ARG 31 2HD ARG 31 -8.065 6.013 3.863
222 HE ARG 31 HE ARG 31 -9.182 8.027 3.805
223 HH11 ARG 31 1HH1 ARG 31 -9.503 6.399 0.745
224 HH12 ARG 31 2HH1 ARG 31 -10.724 7.476 0.152
225 HH21 ARG 31 1HH2 ARG 31 -10.788 9.452 3.035
226 HH22 ARG 31 2HH2 ARG 31 -11.453 9.213 1.455
227 H ILE 32 H ILE 32 -3.505 6.358 4.329
228 HA ILE 32 HA ILE 32 -2.839 8.104 6.226
229 HB ILE 32 HB ILE 32 -1.006 6.781 6.867
230 HG12 ILE 32 1HG1 ILE 32 -0.790 5.790 4.017
231 HG13 ILE 32 2HG1 ILE 32 0.246 7.021 4.729
232 HG21 ILE 32 1HG2 ILE 32 -3.382 5.643 6.268
233 HG22 ILE 32 2HG2 ILE 32 -2.288 4.622 5.337
234 HG23 ILE 32 3HG2 ILE 32 -2.060 4.802 7.077
235 HD11 ILE 32 3HD1 ILE 32 1.420 4.956 4.753
236 HD12 ILE 32 1HD1 ILE 32 0.962 5.334 6.414
237 HD13 ILE 32 2HD1 ILE 32 0.057 4.125 5.503
238 H HIS 33 H HIS 33 -1.330 7.952 3.066
239 HA HIS 33 HA HIS 33 0.801 9.747 3.642
240 HB2 HIS 33 1HB HIS 33 -0.455 8.820 1.059
241 HB3 HIS 33 2HB HIS 33 0.902 9.942 1.105
242 HD1 HIS 33 HD1 HIS 33 3.046 8.913 2.554
243 HD2 HIS 33 HD2 HIS 33 0.322 6.240 0.913
244 HE1 HIS 33 HE1 HIS 33 4.240 6.701 2.474
245 H THR 34 H THR 34 -1.988 10.268 1.481
246 HA THR 34 HA THR 34 -1.748 13.049 1.377
247 HB THR 34 HB THR 34 -3.080 11.924 -0.274
248 HG1 THR 34 HG1 THR 34 -4.931 13.253 -0.182
249 HG21 THR 34 3HG2 THR 34 -5.111 10.751 0.197
250 HG22 THR 34 1HG2 THR 34 -5.064 11.235 1.891
251 HG23 THR 34 2HG2 THR 34 -3.867 10.102 1.264
252 H GLY 35 H GLY 35 -3.909 11.045 3.383
253 HA2 GLY 35 1HA GLY 35 -4.596 11.474 5.570
254 HA3 GLY 35 2HA GLY 35 -3.826 13.051 5.477
255 H GLU 36 H GLU 36 -6.443 11.402 3.697
256 HA GLU 36 HA GLU 36 -7.915 13.771 3.265
257 HB2 GLU 36 1HB GLU 36 -8.707 10.861 3.156
258 HB3 GLU 36 2HB GLU 36 -9.797 12.168 2.715
259 HG2 GLU 36 1HG GLU 36 -7.111 11.856 1.426
260 HG3 GLU 36 2HG GLU 36 -8.532 10.989 0.845
261 H ASN 37 H ASN 37 -8.373 11.113 5.586
262 HA ASN 37 HA ASN 37 -10.620 12.242 6.869
263 HB2 ASN 37 1HB ASN 37 -9.665 10.674 8.808
264 HB3 ASN 37 2HB ASN 37 -10.470 10.016 7.386
265 HD21 ASN 37 1HD2 ASN 37 -9.476 8.284 6.683
266 HD22 ASN 37 2HD2 ASN 37 -7.767 8.040 6.618
267 HA PRO 38 HA PRO 38 -8.966 15.279 9.569
268 HB2 PRO 38 1HB PRO 38 -10.462 14.925 11.807
269 HB3 PRO 38 2HB PRO 38 -11.108 15.630 10.321
270 HG2 PRO 38 1HG PRO 38 -11.348 12.829 11.349
271 HG3 PRO 38 2HG PRO 38 -12.586 13.858 10.605
272 HD2 PRO 38 1HD PRO 38 -11.287 11.918 9.233
273 HD3 PRO 38 2HD PRO 38 -11.846 13.418 8.467
274 H SER 39 H SER 39 -6.875 14.150 9.705
275 HA SER 39 HA SER 39 -6.270 12.242 11.672
276 HB2 SER 39 1HB SER 39 -4.705 12.526 9.905
277 HB3 SER 39 2HB SER 39 -4.563 14.257 10.210
278 HG SER 39 HG SER 39 -3.592 12.116 11.788
279 H GLY 40 H GLY 40 -5.809 12.372 13.793
280 HA2 GLY 40 1HA GLY 40 -5.776 15.074 14.989
281 HA3 GLY 40 2HA GLY 40 -6.465 13.661 15.776
282 HA PRO 41 HA PRO 41 -1.722 14.257 16.499
283 HB2 PRO 41 1HB PRO 41 -1.664 16.089 18.501
284 HB3 PRO 41 2HB PRO 41 -1.543 16.529 16.794
285 HG2 PRO 41 1HG PRO 41 -3.923 16.614 18.607
286 HG3 PRO 41 2HG PRO 41 -3.384 17.808 17.412
287 HD2 PRO 41 1HD PRO 41 -5.384 16.050 16.917
288 HD3 PRO 41 2HD PRO 41 -4.290 16.635 15.647
289 H SER 42 H SER 42 -0.806 12.935 17.976
290 HA SER 42 HA SER 42 -2.520 11.665 19.917
291 HB2 SER 42 1HB SER 42 -0.921 10.339 18.591
292 HB3 SER 42 2HB SER 42 0.417 11.223 19.324
293 HG SER 42 HG SER 42 -1.477 9.820 20.882
294 H SER 43 H SER 43 -2.341 11.726 22.130
295 HA SER 43 HA SER 43 -1.394 14.126 23.285
296 HB2 SER 43 1HB SER 43 -2.294 11.533 24.559
297 HB3 SER 43 2HB SER 43 -1.956 13.011 25.459
298 HG SER 43 HG SER 43 -3.803 12.934 23.319
299 H GLY 44 H GLY 44 0.234 14.388 24.922
300 HA2 GLY 44 1HA GLY 44 2.756 13.547 24.249
301 HA3 GLY 44 2HA GLY 44 2.308 14.066 25.867
Start of MODEL 20
1 H1 GLY 1 H GLY 1 18.589 -14.024 -18.772
2 HA2 GLY 1 1HA GLY 1 18.405 -14.783 -15.921
3 HA3 GLY 1 2HA GLY 1 17.949 -13.204 -16.545
4 H SER 2 H SER 2 16.858 -16.274 -15.701
5 HA SER 2 HA SER 2 14.427 -16.067 -17.317
6 HB2 SER 2 1HB SER 2 15.542 -18.256 -17.241
7 HB3 SER 2 2HB SER 2 15.377 -18.286 -15.486
8 HG SER 2 HG SER 2 13.034 -18.062 -15.948
9 H SER 3 H SER 3 12.435 -15.690 -16.478
10 HA SER 3 HA SER 3 12.152 -15.472 -13.569
11 HB2 SER 3 1HB SER 3 12.649 -13.215 -14.804
12 HB3 SER 3 2HB SER 3 10.963 -13.333 -15.305
13 HG SER 3 HG SER 3 11.153 -12.178 -13.359
14 H GLY 4 H GLY 4 10.331 -16.377 -12.851
15 HA2 GLY 4 1HA GLY 4 7.832 -16.242 -14.157
16 HA3 GLY 4 2HA GLY 4 8.588 -17.786 -14.520
17 H SER 5 H SER 5 6.698 -16.068 -12.326
18 HA SER 5 HA SER 5 6.788 -18.324 -10.457
19 HB2 SER 5 1HB SER 5 6.843 -16.899 -8.526
20 HB3 SER 5 2HB SER 5 8.174 -16.410 -9.574
21 HG SER 5 HG SER 5 7.008 -14.638 -10.215
22 H SER 6 H SER 6 4.832 -19.023 -9.848
23 HA SER 6 HA SER 6 2.506 -17.411 -10.656
24 HB2 SER 6 1HB SER 6 2.914 -19.759 -11.640
25 HB3 SER 6 2HB SER 6 2.433 -20.363 -10.055
26 HG SER 6 HG SER 6 0.902 -18.795 -11.852
27 H GLY 7 H GLY 7 0.477 -18.074 -9.290
28 HA2 GLY 7 1HA GLY 7 0.084 -18.942 -6.895
29 HA3 GLY 7 2HA GLY 7 1.255 -17.701 -6.476
30 H GLU 8 H GLU 8 0.523 -15.720 -6.030
31 HA GLU 8 HA GLU 8 -2.009 -14.813 -7.148
32 HB2 GLU 8 1HB GLU 8 -1.525 -15.356 -4.244
33 HB3 GLU 8 2HB GLU 8 -2.575 -14.024 -4.708
34 HG2 GLU 8 1HG GLU 8 -2.937 -16.902 -5.511
35 HG3 GLU 8 2HG GLU 8 -3.832 -16.062 -4.245
36 H LYS 9 H LYS 9 -1.333 -13.003 -8.107
37 HA LYS 9 HA LYS 9 0.848 -11.442 -7.488
38 HB2 LYS 9 1HB LYS 9 -1.766 -10.483 -8.668
39 HB3 LYS 9 2HB LYS 9 -0.217 -9.659 -8.790
40 HG2 LYS 9 1HG LYS 9 0.567 -11.897 -9.876
41 HG3 LYS 9 2HG LYS 9 -1.160 -12.134 -10.156
42 HD2 LYS 9 1HD LYS 9 -0.605 -11.036 -12.082
43 HD3 LYS 9 2HD LYS 9 -0.990 -9.653 -11.055
44 HE2 LYS 9 1HE LYS 9 1.472 -9.587 -10.462
45 HE3 LYS 9 2HE LYS 9 1.723 -10.741 -11.772
46 HZ1 LYS 9 3HZ LYS 9 1.092 -7.909 -11.892
47 HZ2 LYS 9 1HZ LYS 9 0.296 -8.883 -13.023
48 HZ3 LYS 9 2HZ LYS 9 1.986 -8.867 -12.962
49 H LEU 10 H LEU 10 1.116 -9.439 -6.415
50 HA LEU 10 HA LEU 10 -0.905 -8.883 -4.345
51 HB2 LEU 10 1HB LEU 10 1.171 -8.058 -3.028
52 HB3 LEU 10 2HB LEU 10 0.787 -9.777 -3.078
53 HG LEU 10 HG LEU 10 2.719 -8.675 -5.065
54 HD11 LEU 10 1HD1 LEU 10 3.126 -8.062 -2.463
55 HD12 LEU 10 2HD1 LEU 10 4.416 -8.355 -3.629
56 HD13 LEU 10 3HD1 LEU 10 3.891 -9.649 -2.552
57 HD21 LEU 10 3HD2 LEU 10 3.726 -10.930 -4.683
58 HD22 LEU 10 1HD2 LEU 10 2.083 -10.963 -5.325
59 HD23 LEU 10 2HD2 LEU 10 2.369 -11.295 -3.616
60 H HIS 11 H HIS 11 -1.468 -6.791 -4.020
61 HA HIS 11 HA HIS 11 -0.448 -4.848 -5.938
62 HB2 HIS 11 1HB HIS 11 -2.900 -5.103 -4.273
63 HB3 HIS 11 2HB HIS 11 -2.363 -3.474 -4.673
64 HD2 HIS 11 HD2 HIS 11 -3.741 -6.659 -6.492
65 HE1 HIS 11 HE1 HIS 11 -3.869 -3.377 -9.177
66 HE2 HIS 11 HE2 HIS 11 -4.579 -5.759 -8.767
67 H GLU 12 H GLU 12 1.294 -3.735 -5.348
68 HA GLU 12 HA GLU 12 1.728 -3.103 -2.528
69 HB2 GLU 12 1HB GLU 12 3.981 -2.730 -3.054
70 HB3 GLU 12 2HB GLU 12 3.525 -4.091 -4.069
71 HG2 GLU 12 1HG GLU 12 3.067 -2.322 -5.875
72 HG3 GLU 12 2HG GLU 12 4.016 -1.246 -4.850
73 H CYS 13 H CYS 13 2.484 -0.924 -1.949
74 HA CYS 13 HA CYS 13 0.714 1.062 -3.013
75 HB2 CYS 13 1HB CYS 13 1.448 0.838 -0.585
76 HB3 CYS 13 2HB CYS 13 2.986 1.534 -1.084
77 H SER 14 H SER 14 1.558 3.281 -3.567
78 HA SER 14 HA SER 14 3.853 3.001 -5.390
79 HB2 SER 14 1HB SER 14 1.460 3.590 -6.244
80 HB3 SER 14 2HB SER 14 1.814 5.197 -5.611
81 HG SER 14 HG SER 14 3.713 5.170 -6.942
82 H GLU 15 H GLU 15 2.904 4.374 -2.498
83 HA GLU 15 HA GLU 15 4.687 6.683 -2.757
84 HB2 GLU 15 1HB GLU 15 2.687 5.904 -0.634
85 HB3 GLU 15 2HB GLU 15 3.764 7.285 -0.489
86 HG2 GLU 15 1HG GLU 15 2.706 7.879 -2.844
87 HG3 GLU 15 2HG GLU 15 1.383 6.904 -2.208
88 H CYS 16 H CYS 16 4.136 3.875 -0.650
89 HA CYS 16 HA CYS 16 6.885 4.179 0.358
90 HB2 CYS 16 1HB CYS 16 6.123 2.729 2.248
91 HB3 CYS 16 2HB CYS 16 5.285 4.274 2.152
92 H ARG 17 H ARG 17 4.959 2.354 -1.696
93 HA ARG 17 HA ARG 17 5.314 0.452 -2.891
94 HB2 ARG 17 1HB ARG 17 8.111 0.624 -1.753
95 HB3 ARG 17 2HB ARG 17 7.612 -0.384 -3.105
96 HG2 ARG 17 1HG ARG 17 7.467 2.623 -3.071
97 HG3 ARG 17 2HG ARG 17 8.777 1.683 -3.788
98 HD2 ARG 17 1HD ARG 17 6.791 0.508 -5.054
99 HD3 ARG 17 2HD ARG 17 5.957 2.017 -4.688
100 HE ARG 17 HE ARG 17 8.528 2.456 -5.850
101 HH11 ARG 17 1HH1 ARG 17 5.213 1.671 -6.568
102 HH12 ARG 17 2HH1 ARG 17 5.276 2.303 -8.180
103 HH21 ARG 17 1HH2 ARG 17 8.623 3.291 -7.970
104 HH22 ARG 17 2HH2 ARG 17 7.217 3.224 -8.977
105 H LYS 18 H LYS 18 4.132 0.195 -0.381
106 HA LYS 18 HA LYS 18 5.323 -2.202 0.804
107 HB2 LYS 18 1HB LYS 18 3.416 -0.122 1.727
108 HB3 LYS 18 2HB LYS 18 3.183 -1.746 2.361
109 HG2 LYS 18 1HG LYS 18 5.437 -1.769 3.232
110 HG3 LYS 18 2HG LYS 18 5.756 -0.188 2.515
111 HD2 LYS 18 1HD LYS 18 5.231 0.466 4.638
112 HD3 LYS 18 2HD LYS 18 3.613 0.471 3.932
113 HE2 LYS 18 1HE LYS 18 3.459 -1.953 4.735
114 HE3 LYS 18 2HE LYS 18 4.879 -1.589 5.714
115 HZ1 LYS 18 3HZ LYS 18 2.183 -0.383 5.888
116 HZ2 LYS 18 1HZ LYS 18 3.537 0.343 6.599
117 HZ3 LYS 18 2HZ LYS 18 3.046 -1.199 7.093
118 H THR 19 H THR 19 4.277 -4.165 0.898
119 HA THR 19 HA THR 19 2.244 -4.588 -1.129
120 HB THR 19 HB THR 19 2.627 -6.935 -0.850
121 HG1 THR 19 HG1 THR 19 3.844 -7.745 0.868
122 HG21 THR 19 3HG2 THR 19 5.425 -6.153 -0.446
123 HG22 THR 19 1HG2 THR 19 4.573 -5.194 -1.654
124 HG23 THR 19 2HG2 THR 19 4.658 -6.948 -1.821
125 H PHE 20 H PHE 20 0.284 -5.765 -0.719
126 HA PHE 20 HA PHE 20 -0.631 -5.805 2.061
127 HB2 PHE 20 1HB PHE 20 -2.103 -4.437 -0.200
128 HB3 PHE 20 2HB PHE 20 -2.774 -4.735 1.400
129 HD1 PHE 20 HD1 PHE 20 -0.060 -2.962 -0.392
130 HD2 PHE 20 HD2 PHE 20 -2.394 -3.242 3.156
131 HE1 PHE 20 HE1 PHE 20 0.885 -0.831 0.394
132 HE2 PHE 20 HE2 PHE 20 -1.454 -1.111 3.947
133 HZ PHE 20 HZ PHE 20 0.187 0.098 2.565
134 H SER 21 H SER 21 -1.877 -7.520 2.543
135 HA SER 21 HA SER 21 -1.983 -9.790 1.061
136 HB2 SER 21 1HB SER 21 -3.888 -8.735 3.140
137 HB3 SER 21 2HB SER 21 -4.137 -10.314 2.394
138 HG SER 21 HG SER 21 -1.635 -10.298 3.071
139 H PHE 22 H PHE 22 -4.393 -7.191 1.047
140 HA PHE 22 HA PHE 22 -5.351 -8.198 -1.539
141 HB2 PHE 22 1HB PHE 22 -7.228 -7.135 0.570
142 HB3 PHE 22 2HB PHE 22 -7.643 -7.936 -0.942
143 HD1 PHE 22 HD2 PHE 22 -6.954 -10.384 -1.203
144 HD2 PHE 22 HD1 PHE 22 -7.030 -8.352 2.536
145 HE1 PHE 22 HE2 PHE 22 -7.041 -12.547 -0.034
146 HE2 PHE 22 HE1 PHE 22 -7.116 -10.512 3.711
147 HZ PHE 22 HZ PHE 22 -7.123 -12.613 2.427
148 H HIS 23 H HIS 23 -6.204 -6.615 -2.940
149 HA HIS 23 HA HIS 23 -4.905 -4.152 -2.934
150 HB2 HIS 23 1HB HIS 23 -5.975 -5.340 -4.907
151 HB3 HIS 23 2HB HIS 23 -7.516 -4.696 -4.349
152 HD2 HIS 23 HD2 HIS 23 -6.838 -1.618 -3.848
153 HE1 HIS 23 HE1 HIS 23 -5.119 -1.653 -7.726
154 HE2 HIS 23 HE2 HIS 23 -5.944 -0.216 -5.829
155 H SER 24 H SER 24 -8.302 -4.875 -2.145
156 HA SER 24 HA SER 24 -9.406 -2.502 -1.645
157 HB2 SER 24 1HB SER 24 -10.656 -4.465 -1.120
158 HB3 SER 24 2HB SER 24 -9.503 -4.948 0.124
159 HG SER 24 HG SER 24 -10.293 -3.454 1.466
160 H GLN 25 H GLN 25 -7.168 -4.100 0.604
161 HA GLN 25 HA GLN 25 -7.195 -2.133 2.595
162 HB2 GLN 25 1HB GLN 25 -5.321 -4.315 1.812
163 HB3 GLN 25 2HB GLN 25 -4.746 -3.098 2.944
164 HG2 GLN 25 1HG GLN 25 -7.373 -4.382 3.467
165 HG3 GLN 25 2HG GLN 25 -5.904 -5.312 3.762
166 HE21 GLN 25 1HE2 GLN 25 -7.832 -2.607 4.739
167 HE22 GLN 25 2HE2 GLN 25 -7.000 -2.281 6.217
168 H LEU 26 H LEU 26 -4.757 -2.650 0.041
169 HA LEU 26 HA LEU 26 -3.039 -0.635 0.386
170 HB2 LEU 26 1HB LEU 26 -2.726 -1.966 -1.507
171 HB3 LEU 26 2HB LEU 26 -4.332 -1.605 -2.137
172 HG LEU 26 HG LEU 26 -3.625 0.628 -2.754
173 HD11 LEU 26 1HD1 LEU 26 -2.019 0.901 -0.863
174 HD12 LEU 26 2HD1 LEU 26 -1.407 1.441 -2.426
175 HD13 LEU 26 3HD1 LEU 26 -0.879 -0.103 -1.758
176 HD21 LEU 26 3HD2 LEU 26 -1.728 -1.530 -3.670
177 HD22 LEU 26 1HD2 LEU 26 -1.925 0.038 -4.454
178 HD23 LEU 26 2HD2 LEU 26 -3.275 -1.096 -4.399
179 H VAL 27 H VAL 27 -5.938 -0.116 -1.631
180 HA VAL 27 HA VAL 27 -5.852 2.559 -2.001
181 HB VAL 27 HB VAL 27 -8.402 1.155 -1.206
182 HG11 VAL 27 1HG1 VAL 27 -9.544 2.860 -2.193
183 HG12 VAL 27 2HG1 VAL 27 -8.116 3.754 -1.668
184 HG13 VAL 27 3HG1 VAL 27 -8.252 3.210 -3.341
185 HG21 VAL 27 3HG2 VAL 27 -6.624 0.602 -3.391
186 HG22 VAL 27 1HG2 VAL 27 -8.127 -0.203 -2.943
187 HG23 VAL 27 2HG2 VAL 27 -8.164 1.206 -4.002
188 H ILE 28 H ILE 28 -7.125 0.952 0.899
189 HA ILE 28 HA ILE 28 -7.879 3.306 2.256
190 HB ILE 28 HB ILE 28 -7.077 0.642 3.431
191 HG12 ILE 28 1HG1 ILE 28 -9.885 1.630 2.988
192 HG13 ILE 28 2HG1 ILE 28 -9.014 0.773 1.722
193 HG21 ILE 28 1HG2 ILE 28 -8.042 1.301 5.448
194 HG22 ILE 28 2HG2 ILE 28 -7.139 2.724 4.931
195 HG23 ILE 28 3HG2 ILE 28 -8.888 2.660 4.708
196 HD11 ILE 28 3HD1 ILE 28 -10.529 -0.334 3.762
197 HD12 ILE 28 1HD1 ILE 28 -9.448 -1.184 2.658
198 HD13 ILE 28 2HD1 ILE 28 -8.855 -0.638 4.228
199 H HIS 29 H HIS 29 -4.853 1.535 2.069
200 HA HIS 29 HA HIS 29 -3.533 2.873 4.188
201 HB2 HIS 29 1HB HIS 29 -2.500 0.881 3.569
202 HB3 HIS 29 2HB HIS 29 -2.632 1.229 1.847
203 HD1 HIS 29 HD1 HIS 29 -0.496 1.907 4.840
204 HD2 HIS 29 HD2 HIS 29 -0.554 2.764 0.775
205 HE1 HIS 29 HE1 HIS 29 1.782 2.833 4.315
206 H GLN 30 H GLN 30 -3.300 3.304 0.654
207 HA GLN 30 HA GLN 30 -1.562 5.342 0.413
208 HB2 GLN 30 1HB GLN 30 -4.235 5.158 -0.985
209 HB3 GLN 30 2HB GLN 30 -2.893 6.166 -1.508
210 HG2 GLN 30 1HG GLN 30 -1.572 4.300 -2.062
211 HG3 GLN 30 2HG GLN 30 -2.643 3.192 -1.206
212 HE21 GLN 30 1HE2 GLN 30 -1.693 3.322 -4.029
213 HE22 GLN 30 2HE2 GLN 30 -3.132 3.271 -4.984
214 H ARG 31 H ARG 31 -4.664 5.510 1.941
215 HA ARG 31 HA ARG 31 -5.139 8.263 1.859
216 HB2 ARG 31 1HB ARG 31 -5.844 6.242 3.993
217 HB3 ARG 31 2HB ARG 31 -6.487 7.877 3.924
218 HG2 ARG 31 1HG ARG 31 -7.642 7.428 1.899
219 HG3 ARG 31 2HG ARG 31 -6.816 5.881 1.701
220 HD2 ARG 31 1HD ARG 31 -7.917 5.033 3.710
221 HD3 ARG 31 2HD ARG 31 -8.728 6.583 3.926
222 HE ARG 31 HE ARG 31 -9.421 4.501 2.056
223 HH11 ARG 31 1HH1 ARG 31 -9.700 7.878 2.856
224 HH12 ARG 31 2HH1 ARG 31 -11.152 8.109 1.940
225 HH21 ARG 31 1HH2 ARG 31 -11.333 4.793 0.846
226 HH22 ARG 31 2HH2 ARG 31 -12.080 6.353 0.797
227 H ILE 32 H ILE 32 -3.637 6.374 4.489
228 HA ILE 32 HA ILE 32 -2.956 8.196 6.305
229 HB ILE 32 HB ILE 32 -1.070 6.942 6.929
230 HG12 ILE 32 1HG1 ILE 32 -0.908 5.892 4.095
231 HG13 ILE 32 2HG1 ILE 32 0.124 7.152 4.763
232 HG21 ILE 32 1HG2 ILE 32 -1.825 4.685 6.872
233 HG22 ILE 32 2HG2 ILE 32 -3.256 5.714 6.897
234 HG23 ILE 32 3HG2 ILE 32 -2.737 4.964 5.388
235 HD11 ILE 32 3HD1 ILE 32 1.491 5.374 5.050
236 HD12 ILE 32 1HD1 ILE 32 0.598 5.271 6.568
237 HD13 ILE 32 2HD1 ILE 32 0.158 4.231 5.213
238 H HIS 33 H HIS 33 -1.490 7.946 3.120
239 HA HIS 33 HA HIS 33 0.511 9.941 3.630
240 HB2 HIS 33 1HB HIS 33 -0.477 8.828 0.995
241 HB3 HIS 33 2HB HIS 33 0.988 9.775 1.232
242 HD1 HIS 33 HD1 HIS 33 2.509 8.487 3.343
243 HD2 HIS 33 HD2 HIS 33 0.196 6.237 0.726
244 HE1 HIS 33 HE1 HIS 33 3.464 6.162 3.430
245 H THR 34 H THR 34 -2.515 9.856 1.760
246 HA THR 34 HA THR 34 -2.398 12.700 1.256
247 HB THR 34 HB THR 34 -4.540 12.397 0.102
248 HG1 THR 34 HG1 THR 34 -5.358 10.197 -0.025
249 HG21 THR 34 3HG2 THR 34 -3.744 11.127 -1.718
250 HG22 THR 34 1HG2 THR 34 -2.752 10.106 -0.677
251 HG23 THR 34 2HG2 THR 34 -2.299 11.787 -0.953
252 H GLY 35 H GLY 35 -2.345 12.345 3.956
253 HA2 GLY 35 1HA GLY 35 -5.093 12.845 4.882
254 HA3 GLY 35 2HA GLY 35 -3.738 12.394 5.906
255 H GLU 36 H GLU 36 -3.837 14.079 7.331
256 HA GLU 36 HA GLU 36 -3.402 16.764 6.196
257 HB2 GLU 36 1HB GLU 36 -4.807 15.980 8.755
258 HB3 GLU 36 2HB GLU 36 -4.418 17.635 8.306
259 HG2 GLU 36 1HG GLU 36 -5.757 17.132 6.163
260 HG3 GLU 36 2HG GLU 36 -6.398 15.767 7.074
261 H ASN 37 H ASN 37 -1.246 17.034 6.296
262 HA ASN 37 HA ASN 37 0.046 16.617 8.912
263 HB2 ASN 37 1HB ASN 37 2.159 16.195 7.657
264 HB3 ASN 37 2HB ASN 37 0.917 14.982 7.359
265 HD21 ASN 37 1HD2 ASN 37 2.213 14.522 5.460
266 HD22 ASN 37 2HD2 ASN 37 1.973 15.463 4.030
267 HA PRO 38 HA PRO 38 0.282 21.110 7.803
268 HB2 PRO 38 1HB PRO 38 -0.292 21.989 10.307
269 HB3 PRO 38 2HB PRO 38 -1.539 21.587 9.120
270 HG2 PRO 38 1HG PRO 38 -0.490 19.947 11.394
271 HG3 PRO 38 2HG PRO 38 -2.165 20.176 10.859
272 HD2 PRO 38 1HD PRO 38 -0.726 17.969 10.236
273 HD3 PRO 38 2HD PRO 38 -1.963 18.639 9.154
274 H SER 39 H SER 39 2.046 18.901 9.516
275 HA SER 39 HA SER 39 4.003 20.920 10.399
276 HB2 SER 39 1HB SER 39 3.488 18.123 11.429
277 HB3 SER 39 2HB SER 39 4.875 19.102 11.907
278 HG SER 39 HG SER 39 3.361 19.517 13.421
279 H GLY 40 H GLY 40 3.963 20.264 7.730
280 HA2 GLY 40 1HA GLY 40 6.432 18.664 7.482
281 HA3 GLY 40 2HA GLY 40 5.110 18.491 6.338
282 HA PRO 41 HA PRO 41 8.138 22.112 5.360
283 HB2 PRO 41 1HB PRO 41 10.043 20.839 3.903
284 HB3 PRO 41 2HB PRO 41 10.178 21.094 5.647
285 HG2 PRO 41 1HG PRO 41 9.315 18.648 4.152
286 HG3 PRO 41 2HG PRO 41 10.387 18.780 5.559
287 HD2 PRO 41 1HD PRO 41 7.788 18.049 5.771
288 HD3 PRO 41 2HD PRO 41 8.629 18.963 7.039
289 H SER 42 H SER 42 6.250 22.580 4.083
290 HA SER 42 HA SER 42 6.724 22.395 1.284
291 HB2 SER 42 1HB SER 42 4.600 21.173 0.730
292 HB3 SER 42 2HB SER 42 5.834 20.165 1.485
293 HG SER 42 HG SER 42 3.798 21.427 2.986
294 H SER 43 H SER 43 5.425 23.800 0.091
295 HA SER 43 HA SER 43 4.052 25.794 1.699
296 HB2 SER 43 1HB SER 43 5.036 25.688 -1.138
297 HB3 SER 43 2HB SER 43 3.888 26.930 -0.639
298 HG SER 43 HG SER 43 6.335 26.434 0.702
299 H GLY 44 H GLY 44 1.950 26.637 1.078
300 HA2 GLY 44 1HA GLY 44 0.029 24.586 0.751
301 HA3 GLY 44 2HA GLY 44 -0.297 26.313 0.730