Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505542 | 2yso RC | 11368 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -2.479 -17.608 -22.643
2 HA2 GLY 1 1HA GLY 1 -2.430 -16.087 -24.868
3 HA3 GLY 1 2HA GLY 1 -3.427 -17.442 -25.374
4 H SER 2 H SER 2 -3.140 -14.925 -22.896
5 HA SER 2 HA SER 2 -4.701 -13.743 -21.738
6 HB2 SER 2 1HB SER 2 -6.457 -14.574 -24.060
7 HB3 SER 2 2HB SER 2 -6.893 -13.361 -22.857
8 HG SER 2 HG SER 2 -5.863 -12.013 -24.082
9 H SER 3 H SER 3 -4.259 -16.340 -20.866
10 HA SER 3 HA SER 3 -6.946 -17.181 -19.994
11 HB2 SER 3 1HB SER 3 -4.462 -18.898 -20.226
12 HB3 SER 3 2HB SER 3 -6.068 -19.447 -19.745
13 HG SER 3 HG SER 3 -5.369 -19.707 -22.049
14 H GLY 4 H GLY 4 -6.845 -18.406 -17.838
15 HA2 GLY 4 1HA GLY 4 -5.442 -18.616 -15.778
16 HA3 GLY 4 2HA GLY 4 -5.050 -16.920 -16.020
17 H SER 5 H SER 5 -7.374 -15.710 -16.509
18 HA SER 5 HA SER 5 -8.723 -15.926 -13.950
19 HB2 SER 5 1HB SER 5 -9.205 -13.965 -16.206
20 HB3 SER 5 2HB SER 5 -9.802 -13.829 -14.552
21 HG SER 5 HG SER 5 -7.986 -12.909 -14.083
22 H SER 6 H SER 6 -10.652 -16.826 -13.611
23 HA SER 6 HA SER 6 -12.225 -17.642 -15.966
24 HB2 SER 6 1HB SER 6 -12.135 -19.008 -13.266
25 HB3 SER 6 2HB SER 6 -12.989 -19.571 -14.703
26 HG SER 6 HG SER 6 -11.206 -20.492 -15.284
27 H GLY 7 H GLY 7 -13.997 -16.454 -16.187
28 HA2 GLY 7 1HA GLY 7 -15.767 -15.072 -15.662
29 HA3 GLY 7 2HA GLY 7 -16.114 -16.318 -14.472
30 H SER 8 H SER 8 -16.847 -15.019 -12.847
31 HA SER 8 HA SER 8 -15.315 -12.713 -12.002
32 HB2 SER 8 1HB SER 8 -17.661 -12.412 -11.850
33 HB3 SER 8 2HB SER 8 -17.888 -13.968 -11.050
34 HG SER 8 HG SER 8 -17.768 -12.856 -9.277
35 H ARG 9 H ARG 9 -13.602 -12.909 -10.735
36 HA ARG 9 HA ARG 9 -13.678 -14.851 -8.537
37 HB2 ARG 9 1HB ARG 9 -11.501 -14.517 -10.588
38 HB3 ARG 9 2HB ARG 9 -11.171 -15.194 -9.000
39 HG2 ARG 9 1HG ARG 9 -13.315 -16.321 -10.764
40 HG3 ARG 9 2HG ARG 9 -11.626 -16.809 -10.924
41 HD2 ARG 9 1HD ARG 9 -11.611 -17.480 -8.563
42 HD3 ARG 9 2HD ARG 9 -13.306 -17.014 -8.427
43 HE ARG 9 HE ARG 9 -13.326 -18.796 -10.456
44 HH11 ARG 9 1HH1 ARG 9 -12.031 -18.878 -7.226
45 HH12 ARG 9 2HH1 ARG 9 -12.235 -20.589 -7.047
46 HH21 ARG 9 1HH2 ARG 9 -13.599 -21.050 -10.234
47 HH22 ARG 9 2HH2 ARG 9 -13.127 -21.824 -8.759
48 H GLU 10 H GLU 10 -13.080 -14.018 -6.635
49 HA GLU 10 HA GLU 10 -12.825 -11.396 -6.055
50 HB2 GLU 10 1HB GLU 10 -11.722 -13.834 -4.726
51 HB3 GLU 10 2HB GLU 10 -11.258 -12.254 -4.112
52 HG2 GLU 10 1HG GLU 10 -13.087 -12.831 -2.815
53 HG3 GLU 10 2HG GLU 10 -13.768 -11.758 -4.036
54 H LYS 11 H LYS 11 -11.267 -9.836 -5.986
55 HA LYS 11 HA LYS 11 -8.662 -10.533 -7.177
56 HB2 LYS 11 1HB LYS 11 -10.143 -7.905 -7.389
57 HB3 LYS 11 2HB LYS 11 -8.597 -8.286 -8.136
58 HG2 LYS 11 1HG LYS 11 -9.579 -9.797 -9.647
59 HG3 LYS 11 2HG LYS 11 -11.093 -9.839 -8.741
60 HD2 LYS 11 1HD LYS 11 -10.076 -7.286 -9.942
61 HD3 LYS 11 2HD LYS 11 -10.994 -8.444 -10.906
62 HE2 LYS 11 1HE LYS 11 -12.063 -7.578 -8.260
63 HE3 LYS 11 2HE LYS 11 -12.201 -6.488 -9.638
64 HZ1 LYS 11 3HZ LYS 11 -14.165 -7.767 -9.576
65 HZ2 LYS 11 1HZ LYS 11 -13.321 -9.219 -9.371
66 HZ3 LYS 11 2HZ LYS 11 -13.247 -8.399 -10.849
67 H SER 12 H SER 12 -7.068 -10.419 -5.752
68 HA SER 12 HA SER 12 -7.343 -9.007 -3.272
69 HB2 SER 12 1HB SER 12 -4.866 -10.307 -4.427
70 HB3 SER 12 2HB SER 12 -5.148 -9.885 -2.738
71 HG SER 12 HG SER 12 -5.732 -12.147 -3.930
72 H HIS 13 H HIS 13 -5.689 -7.463 -2.495
73 HA HIS 13 HA HIS 13 -4.777 -5.686 -4.663
74 HB2 HIS 13 1HB HIS 13 -6.020 -5.010 -2.002
75 HB3 HIS 13 2HB HIS 13 -5.083 -3.834 -2.919
76 HD1 HIS 13 HD1 HIS 13 -6.055 -3.918 -5.656
77 HD2 HIS 13 HD2 HIS 13 -8.635 -4.584 -2.468
78 HE1 HIS 13 HE1 HIS 13 -8.359 -3.438 -6.544
79 H GLN 14 H GLN 14 -2.685 -6.500 -4.705
80 HA GLN 14 HA GLN 14 -1.123 -6.243 -2.229
81 HB2 GLN 14 1HB GLN 14 -1.182 -8.445 -3.518
82 HB3 GLN 14 2HB GLN 14 -0.237 -7.627 -4.754
83 HG2 GLN 14 1HG GLN 14 1.400 -7.072 -2.869
84 HG3 GLN 14 2HG GLN 14 0.539 -8.299 -1.942
85 HE21 GLN 14 1HE2 GLN 14 2.985 -8.944 -2.151
86 HE22 GLN 14 2HE2 GLN 14 3.309 -10.095 -3.398
87 H CYS 15 H CYS 15 0.789 -5.070 -2.183
88 HA CYS 15 HA CYS 15 1.132 -3.188 -4.422
89 HB2 CYS 15 1HB CYS 15 0.483 -2.073 -2.362
90 HB3 CYS 15 2HB CYS 15 1.794 -2.860 -1.489
91 H ARG 16 H ARG 16 2.442 -4.877 -5.454
92 HA ARG 16 HA ARG 16 4.638 -6.168 -4.645
93 HB2 ARG 16 1HB ARG 16 3.674 -5.785 -7.046
94 HB3 ARG 16 2HB ARG 16 4.901 -4.530 -7.140
95 HG2 ARG 16 1HG ARG 16 6.639 -6.173 -6.693
96 HG3 ARG 16 2HG ARG 16 5.416 -7.438 -6.557
97 HD2 ARG 16 1HD ARG 16 5.579 -5.773 -9.033
98 HD3 ARG 16 2HD ARG 16 6.704 -7.109 -8.796
99 HE ARG 16 HE ARG 16 4.190 -8.135 -8.317
100 HH11 ARG 16 1HH1 ARG 16 5.852 -6.618 -10.973
101 HH12 ARG 16 2HH1 ARG 16 4.946 -7.455 -12.189
102 HH21 ARG 16 1HH2 ARG 16 2.990 -9.243 -9.909
103 HH22 ARG 16 2HH2 ARG 16 3.317 -8.947 -11.583
104 H GLU 17 H GLU 17 4.396 -2.697 -5.058
105 HA GLU 17 HA GLU 17 6.950 -1.812 -5.116
106 HB2 GLU 17 1HB GLU 17 4.645 -0.565 -4.736
107 HB3 GLU 17 2HB GLU 17 5.177 -0.571 -3.061
108 HG2 GLU 17 1HG GLU 17 5.920 1.467 -3.886
109 HG3 GLU 17 2HG GLU 17 7.352 0.440 -3.934
110 H CYS 18 H CYS 18 5.238 -2.469 -2.053
111 HA CYS 18 HA CYS 18 7.863 -2.916 -0.793
112 HB2 CYS 18 1HB CYS 18 6.582 -2.490 1.364
113 HB3 CYS 18 2HB CYS 18 6.802 -1.102 0.304
114 H GLY 19 H GLY 19 4.565 -4.150 -1.083
115 HA2 GLY 19 1HA GLY 19 4.248 -6.545 -1.292
116 HA3 GLY 19 2HA GLY 19 5.571 -6.765 -0.157
117 H GLU 20 H GLU 20 2.356 -5.241 -0.347
118 HA GLU 20 HA GLU 20 1.724 -6.426 2.254
119 HB2 GLU 20 1HB GLU 20 2.470 -4.139 2.725
120 HB3 GLU 20 2HB GLU 20 1.302 -3.511 1.571
121 HG2 GLU 20 1HG GLU 20 -0.493 -3.933 2.947
122 HG3 GLU 20 2HG GLU 20 0.360 -5.181 3.852
123 H ILE 21 H ILE 21 -0.274 -7.257 2.350
124 HA ILE 21 HA ILE 21 -2.011 -6.876 0.025
125 HB ILE 21 HB ILE 21 -2.173 -8.933 2.231
126 HG12 ILE 21 1HG1 ILE 21 -1.370 -9.362 -0.646
127 HG13 ILE 21 2HG1 ILE 21 -0.196 -9.048 0.627
128 HG21 ILE 21 1HG2 ILE 21 -4.220 -8.090 0.664
129 HG22 ILE 21 2HG2 ILE 21 -3.559 -9.400 -0.313
130 HG23 ILE 21 3HG2 ILE 21 -4.083 -9.713 1.342
131 HD11 ILE 21 3HD1 ILE 21 -1.798 -11.464 0.071
132 HD12 ILE 21 1HD1 ILE 21 -0.144 -11.304 0.661
133 HD13 ILE 21 2HD1 ILE 21 -1.500 -11.068 1.763
134 H PHE 22 H PHE 22 -4.017 -6.013 0.138
135 HA PHE 22 HA PHE 22 -5.054 -5.278 2.791
136 HB2 PHE 22 1HB PHE 22 -4.895 -3.508 0.346
137 HB3 PHE 22 2HB PHE 22 -5.848 -3.123 1.775
138 HD1 PHE 22 HD2 PHE 22 -4.570 -3.053 4.022
139 HD2 PHE 22 HD1 PHE 22 -2.694 -2.826 0.209
140 HE1 PHE 22 HE2 PHE 22 -2.594 -2.017 5.060
141 HE2 PHE 22 HE1 PHE 22 -0.714 -1.790 1.240
142 HZ PHE 22 HZ PHE 22 -0.663 -1.384 3.669
143 H PHE 23 H PHE 23 -7.416 -4.425 2.500
144 HA PHE 23 HA PHE 23 -8.805 -6.277 0.677
145 HB2 PHE 23 1HB PHE 23 -9.280 -5.569 3.530
146 HB3 PHE 23 2HB PHE 23 -10.690 -5.870 2.520
147 HD1 PHE 23 HD2 PHE 23 -11.131 -8.073 1.621
148 HD2 PHE 23 HD1 PHE 23 -7.731 -7.338 4.073
149 HE1 PHE 23 HE2 PHE 23 -10.834 -10.496 1.929
150 HE2 PHE 23 HE1 PHE 23 -7.427 -9.759 4.384
151 HZ PHE 23 HZ PHE 23 -8.980 -11.342 3.313
152 H GLN 24 H GLN 24 -9.090 -3.158 2.355
153 HA GLN 24 HA GLN 24 -11.236 -2.298 0.627
154 HB2 GLN 24 1HB GLN 24 -9.685 -0.952 2.833
155 HB3 GLN 24 2HB GLN 24 -10.884 -0.098 1.871
156 HG2 GLN 24 1HG GLN 24 -12.637 -1.200 2.813
157 HG3 GLN 24 2HG GLN 24 -11.693 -2.652 3.140
158 HE21 GLN 24 1HE2 GLN 24 -13.423 -1.466 4.986
159 HE22 GLN 24 2HE2 GLN 24 -12.487 -0.877 6.313
160 H TYR 25 H TYR 25 -11.000 -1.345 -1.278
161 HA TYR 25 HA TYR 25 -8.645 -1.001 -2.630
162 HB2 TYR 25 1HB TYR 25 -10.913 -0.908 -3.646
163 HB3 TYR 25 2HB TYR 25 -11.115 0.710 -2.983
164 HD1 TYR 25 HD1 TYR 25 -8.538 -1.137 -4.977
165 HD2 TYR 25 HD2 TYR 25 -10.806 2.428 -4.479
166 HE1 TYR 25 HE1 TYR 25 -7.479 -0.190 -6.985
167 HE2 TYR 25 HE2 TYR 25 -9.755 3.384 -6.486
168 HH TYR 25 HH TYR 25 -8.385 3.022 -8.197
169 H VAL 26 H VAL 26 -10.337 1.377 -0.628
170 HA VAL 26 HA VAL 26 -8.802 3.622 -1.149
171 HB VAL 26 HB VAL 26 -10.032 2.805 1.487
172 HG11 VAL 26 1HG1 VAL 26 -9.745 5.654 0.850
173 HG12 VAL 26 2HG1 VAL 26 -9.480 4.796 2.369
174 HG13 VAL 26 3HG1 VAL 26 -8.225 4.805 1.130
175 HG21 VAL 26 3HG2 VAL 26 -11.083 4.201 -0.942
176 HG22 VAL 26 1HG2 VAL 26 -11.812 2.906 0.009
177 HG23 VAL 26 2HG2 VAL 26 -11.762 4.549 0.648
178 H SER 27 H SER 27 -8.201 0.988 1.135
179 HA SER 27 HA SER 27 -6.020 2.021 2.493
180 HB2 SER 27 1HB SER 27 -7.233 -0.159 2.952
181 HB3 SER 27 2HB SER 27 -6.267 -0.874 1.661
182 HG SER 27 HG SER 27 -4.397 -0.150 2.880
183 H LEU 28 H LEU 28 -6.099 0.282 -0.592
184 HA LEU 28 HA LEU 28 -3.264 0.328 -0.946
185 HB2 LEU 28 1HB LEU 28 -4.659 -1.372 -1.992
186 HB3 LEU 28 2HB LEU 28 -5.489 -0.132 -2.928
187 HG LEU 28 HG LEU 28 -3.256 0.369 -4.006
188 HD11 LEU 28 1HD1 LEU 28 -1.508 -0.546 -2.945
189 HD12 LEU 28 2HD1 LEU 28 -1.934 -2.003 -3.843
190 HD13 LEU 28 3HD1 LEU 28 -2.494 -1.794 -2.184
191 HD21 LEU 28 3HD2 LEU 28 -4.632 -0.726 -5.456
192 HD22 LEU 28 1HD2 LEU 28 -4.882 -2.090 -4.366
193 HD23 LEU 28 2HD2 LEU 28 -3.377 -1.953 -5.275
194 H ILE 29 H ILE 29 -5.753 1.835 -3.004
195 HA ILE 29 HA ILE 29 -4.254 3.572 -4.424
196 HB ILE 29 HB ILE 29 -6.789 3.285 -4.474
197 HG12 ILE 29 1HG1 ILE 29 -5.852 6.148 -4.658
198 HG13 ILE 29 2HG1 ILE 29 -5.382 4.921 -5.829
199 HG21 ILE 29 1HG2 ILE 29 -6.980 3.999 -2.033
200 HG22 ILE 29 2HG2 ILE 29 -6.798 5.649 -2.625
201 HG23 ILE 29 3HG2 ILE 29 -8.159 4.664 -3.163
202 HD11 ILE 29 3HD1 ILE 29 -7.197 5.524 -6.954
203 HD12 ILE 29 1HD1 ILE 29 -8.117 4.668 -5.717
204 HD13 ILE 29 2HD1 ILE 29 -7.857 6.407 -5.578
205 H GLU 30 H GLU 30 -5.306 4.020 -1.085
206 HA GLU 30 HA GLU 30 -4.216 6.666 -0.875
207 HB2 GLU 30 1HB GLU 30 -6.118 5.944 0.506
208 HB3 GLU 30 2HB GLU 30 -5.099 4.742 1.284
209 HG2 GLU 30 1HG GLU 30 -3.883 6.337 2.447
210 HG3 GLU 30 2HG GLU 30 -4.365 7.638 1.360
211 H HIS 31 H HIS 31 -3.254 3.456 0.307
212 HA HIS 31 HA HIS 31 -0.984 4.129 1.719
213 HB2 HIS 31 1HB HIS 31 -1.505 1.892 1.914
214 HB3 HIS 31 2HB HIS 31 -1.826 1.706 0.192
215 HD1 HIS 31 HD1 HIS 31 1.025 1.843 2.649
216 HD2 HIS 31 HD2 HIS 31 0.318 0.857 -1.324
217 HE1 HIS 31 HE1 HIS 31 3.144 0.757 1.839
218 H GLN 32 H GLN 32 -1.258 3.457 -1.759
219 HA GLN 32 HA GLN 32 1.318 3.532 -2.590
220 HB2 GLN 32 1HB GLN 32 -1.179 4.649 -3.815
221 HB3 GLN 32 2HB GLN 32 0.369 4.874 -4.620
222 HG2 GLN 32 1HG GLN 32 -0.681 2.181 -3.799
223 HG3 GLN 32 2HG GLN 32 -0.990 2.904 -5.377
224 HE21 GLN 32 1HE2 GLN 32 0.484 0.471 -4.600
225 HE22 GLN 32 2HE2 GLN 32 2.059 0.647 -5.288
226 H VAL 33 H VAL 33 -0.657 6.324 -1.702
227 HA VAL 33 HA VAL 33 1.082 8.360 -2.478
228 HB VAL 33 HB VAL 33 -0.806 8.325 -0.120
229 HG11 VAL 33 1HG1 VAL 33 -0.633 10.914 -1.037
230 HG12 VAL 33 2HG1 VAL 33 0.161 10.270 0.402
231 HG13 VAL 33 3HG1 VAL 33 1.034 10.344 -1.129
232 HG21 VAL 33 3HG2 VAL 33 -1.169 8.661 -3.023
233 HG22 VAL 33 1HG2 VAL 33 -2.304 8.110 -1.791
234 HG23 VAL 33 2HG2 VAL 33 -2.008 9.835 -2.010
235 H LEU 34 H LEU 34 0.829 6.694 0.656
236 HA LEU 34 HA LEU 34 2.621 8.002 2.192
237 HB2 LEU 34 1HB LEU 34 2.409 5.011 1.886
238 HB3 LEU 34 2HB LEU 34 3.202 5.834 3.227
239 HG LEU 34 HG LEU 34 0.277 6.160 2.583
240 HD11 LEU 34 1HD1 LEU 34 1.329 3.798 3.331
241 HD12 LEU 34 2HD1 LEU 34 -0.275 4.354 3.809
242 HD13 LEU 34 3HD1 LEU 34 1.089 4.548 4.909
243 HD21 LEU 34 3HD2 LEU 34 1.239 6.522 5.316
244 HD22 LEU 34 1HD2 LEU 34 0.177 7.538 4.341
245 HD23 LEU 34 2HD2 LEU 34 1.927 7.669 4.164
246 H HIS 35 H HIS 35 3.482 5.511 -0.199
247 HA HIS 35 HA HIS 35 6.194 5.394 0.123
248 HB2 HIS 35 1HB HIS 35 4.469 5.210 -2.328
249 HB3 HIS 35 2HB HIS 35 6.220 5.084 -2.461
250 HD1 HIS 35 HD1 HIS 35 6.771 3.369 0.052
251 HD2 HIS 35 HD2 HIS 35 3.760 2.604 -2.707
252 HE1 HIS 35 HE1 HIS 35 6.261 0.916 0.276
253 H MET 36 H MET 36 4.550 7.588 -2.166
254 HA MET 36 HA MET 36 6.943 9.132 -2.553
255 HB2 MET 36 1HB MET 36 5.605 10.493 -4.043
256 HB3 MET 36 2HB MET 36 5.281 8.793 -4.355
257 HG2 MET 36 1HG MET 36 3.251 9.018 -2.898
258 HG3 MET 36 2HG MET 36 3.543 10.756 -2.890
259 HE1 MET 36 3HE MET 36 1.811 11.698 -3.670
260 HE2 MET 36 1HE MET 36 2.333 12.323 -5.235
261 HE3 MET 36 2HE MET 36 0.851 11.374 -5.115
262 H GLY 37 H GLY 37 7.455 11.113 -1.726
263 HA2 GLY 37 1HA GLY 37 6.634 13.209 -0.707
264 HA3 GLY 37 2HA GLY 37 5.595 12.206 0.294
265 H GLN 38 H GLN 38 8.474 13.874 0.178
266 HA GLN 38 HA GLN 38 9.258 12.863 2.763
267 HB2 GLN 38 1HB GLN 38 11.537 12.277 2.133
268 HB3 GLN 38 2HB GLN 38 10.384 11.286 1.249
269 HG2 GLN 38 1HG GLN 38 11.451 13.784 0.015
270 HG3 GLN 38 2HG GLN 38 12.426 12.315 0.026
271 HE21 GLN 38 1HE2 GLN 38 10.950 10.316 -0.573
272 HE22 GLN 38 2HE2 GLN 38 10.063 10.521 -2.041
273 H LYS 39 H LYS 39 10.467 14.318 3.935
274 HA LYS 39 HA LYS 39 11.245 16.359 4.570
275 HB2 LYS 39 1HB LYS 39 12.211 16.333 1.709
276 HB3 LYS 39 2HB LYS 39 12.649 17.582 2.867
277 HG2 LYS 39 1HG LYS 39 13.123 14.750 3.622
278 HG3 LYS 39 2HG LYS 39 14.190 15.490 2.426
279 HD2 LYS 39 1HD LYS 39 15.253 15.895 4.470
280 HD3 LYS 39 2HD LYS 39 14.424 17.411 4.109
281 HE2 LYS 39 1HE LYS 39 12.857 17.104 5.760
282 HE3 LYS 39 2HE LYS 39 13.004 15.348 5.722
283 HZ1 LYS 39 3HZ LYS 39 15.468 16.293 6.519
284 HZ2 LYS 39 1HZ LYS 39 14.310 15.526 7.486
285 HZ3 LYS 39 2HZ LYS 39 14.342 17.214 7.383
286 H ASN 40 H ASN 40 8.556 16.294 3.917
287 HA ASN 40 HA ASN 40 8.144 18.906 2.616
288 HB2 ASN 40 1HB ASN 40 6.010 16.801 2.920
289 HB3 ASN 40 2HB ASN 40 6.036 18.183 1.828
290 HD21 ASN 40 1HD2 ASN 40 8.191 18.112 0.441
291 HD22 ASN 40 2HD2 ASN 40 8.431 16.610 -0.379
292 H SER 41 H SER 41 6.966 16.769 5.195
293 HA SER 41 HA SER 41 5.834 19.118 6.553
294 HB2 SER 41 1HB SER 41 5.243 16.168 6.788
295 HB3 SER 41 2HB SER 41 4.667 17.341 7.972
296 HG SER 41 HG SER 41 3.921 18.436 5.842
297 H GLY 42 H GLY 42 7.076 19.984 8.070
298 HA2 GLY 42 1HA GLY 42 9.038 18.278 9.444
299 HA3 GLY 42 2HA GLY 42 9.107 20.031 9.333
300 HA PRO 43 HA PRO 43 7.575 18.994 13.559
301 HB2 PRO 43 1HB PRO 43 9.056 20.899 14.802
302 HB3 PRO 43 2HB PRO 43 9.680 19.287 14.433
303 HG2 PRO 43 1HG PRO 43 10.080 21.857 12.952
304 HG3 PRO 43 2HG PRO 43 11.262 20.594 13.339
305 HD2 PRO 43 1HD PRO 43 10.108 20.812 10.899
306 HD3 PRO 43 2HD PRO 43 10.583 19.249 11.594
307 H SER 44 H SER 44 5.969 20.031 14.659
308 HA SER 44 HA SER 44 4.248 21.480 15.006
309 HB2 SER 44 1HB SER 44 6.369 22.815 15.736
310 HB3 SER 44 2HB SER 44 6.066 23.758 14.277
311 HG SER 44 HG SER 44 4.412 23.435 16.545
312 H SER 45 H SER 45 4.116 20.362 12.552
313 HA SER 45 HA SER 45 3.729 22.461 10.574
314 HB2 SER 45 1HB SER 45 3.762 19.467 10.507
315 HB3 SER 45 2HB SER 45 2.959 20.346 9.206
316 HG SER 45 HG SER 45 5.513 21.183 9.951
317 H GLY 46 H GLY 46 2.024 23.044 12.490
318 HA2 GLY 46 1HA GLY 46 -0.328 23.663 11.837
319 HA3 GLY 46 2HA GLY 46 -0.573 21.936 11.619
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -30.519 -20.340 2.390
2 HA2 GLY 1 1HA GLY 1 -31.481 -22.564 0.913
3 HA3 GLY 1 2HA GLY 1 -32.689 -21.287 0.936
4 H SER 2 H SER 2 -30.804 -22.498 -1.161
5 HA SER 2 HA SER 2 -30.339 -20.044 -2.561
6 HB2 SER 2 1HB SER 2 -27.932 -20.203 -2.779
7 HB3 SER 2 2HB SER 2 -28.342 -20.152 -1.065
8 HG SER 2 HG SER 2 -27.092 -21.863 -1.045
9 H SER 3 H SER 3 -29.875 -20.358 -4.767
10 HA SER 3 HA SER 3 -31.088 -22.351 -6.105
11 HB2 SER 3 1HB SER 3 -30.269 -20.533 -7.382
12 HB3 SER 3 2HB SER 3 -28.608 -20.810 -6.860
13 HG SER 3 HG SER 3 -28.396 -22.060 -8.521
14 H GLY 4 H GLY 4 -27.642 -22.401 -5.198
15 HA2 GLY 4 1HA GLY 4 -27.488 -25.031 -4.417
16 HA3 GLY 4 2HA GLY 4 -27.242 -25.066 -6.157
17 H SER 5 H SER 5 -25.340 -24.301 -7.028
18 HA SER 5 HA SER 5 -23.135 -24.099 -5.151
19 HB2 SER 5 1HB SER 5 -23.178 -25.457 -7.368
20 HB3 SER 5 2HB SER 5 -22.852 -23.904 -8.138
21 HG SER 5 HG SER 5 -20.868 -24.016 -7.466
22 H SER 6 H SER 6 -23.494 -22.057 -4.228
23 HA SER 6 HA SER 6 -23.505 -19.722 -5.962
24 HB2 SER 6 1HB SER 6 -23.717 -20.039 -2.963
25 HB3 SER 6 2HB SER 6 -23.690 -18.474 -3.776
26 HG SER 6 HG SER 6 -25.670 -20.448 -3.762
27 H GLY 7 H GLY 7 -22.050 -17.858 -5.303
28 HA2 GLY 7 1HA GLY 7 -19.822 -17.648 -3.964
29 HA3 GLY 7 2HA GLY 7 -19.318 -18.906 -5.082
30 H SER 8 H SER 8 -18.418 -16.079 -4.666
31 HA SER 8 HA SER 8 -18.702 -15.217 -7.467
32 HB2 SER 8 1HB SER 8 -18.906 -13.577 -4.954
33 HB3 SER 8 2HB SER 8 -18.401 -12.837 -6.473
34 HG SER 8 HG SER 8 -20.630 -12.661 -6.267
35 H ARG 9 H ARG 9 -16.874 -14.470 -8.471
36 HA ARG 9 HA ARG 9 -14.376 -15.313 -7.408
37 HB2 ARG 9 1HB ARG 9 -15.266 -13.906 -9.890
38 HB3 ARG 9 2HB ARG 9 -13.557 -13.897 -9.477
39 HG2 ARG 9 1HG ARG 9 -13.664 -15.746 -10.813
40 HG3 ARG 9 2HG ARG 9 -13.919 -16.479 -9.228
41 HD2 ARG 9 1HD ARG 9 -16.277 -16.586 -9.576
42 HD3 ARG 9 2HD ARG 9 -16.161 -15.613 -11.042
43 HE ARG 9 HE ARG 9 -14.635 -18.019 -11.217
44 HH11 ARG 9 1HH1 ARG 9 -17.845 -16.698 -11.489
45 HH12 ARG 9 2HH1 ARG 9 -18.404 -17.935 -12.566
46 HH21 ARG 9 1HH2 ARG 9 -15.359 -19.653 -12.634
47 HH22 ARG 9 2HH2 ARG 9 -16.989 -19.616 -13.216
48 H GLU 10 H GLU 10 -12.592 -14.085 -6.769
49 HA GLU 10 HA GLU 10 -13.131 -11.255 -6.168
50 HB2 GLU 10 1HB GLU 10 -13.199 -13.036 -4.210
51 HB3 GLU 10 2HB GLU 10 -11.452 -12.865 -4.299
52 HG2 GLU 10 1HG GLU 10 -13.101 -10.400 -4.160
53 HG3 GLU 10 2HG GLU 10 -12.912 -11.370 -2.701
54 H LYS 11 H LYS 11 -11.166 -9.967 -5.815
55 HA LYS 11 HA LYS 11 -8.755 -11.080 -7.057
56 HB2 LYS 11 1HB LYS 11 -8.498 -9.259 -8.565
57 HB3 LYS 11 2HB LYS 11 -10.146 -9.841 -8.763
58 HG2 LYS 11 1HG LYS 11 -10.878 -8.009 -7.216
59 HG3 LYS 11 2HG LYS 11 -9.233 -7.375 -7.306
60 HD2 LYS 11 1HD LYS 11 -10.727 -7.947 -9.828
61 HD3 LYS 11 2HD LYS 11 -11.093 -6.479 -8.918
62 HE2 LYS 11 1HE LYS 11 -8.976 -5.597 -9.246
63 HE3 LYS 11 2HE LYS 11 -8.257 -7.175 -9.563
64 HZ1 LYS 11 3HZ LYS 11 -9.472 -7.232 -11.674
65 HZ2 LYS 11 1HZ LYS 11 -8.417 -5.912 -11.591
66 HZ3 LYS 11 2HZ LYS 11 -10.078 -5.682 -11.373
67 H SER 12 H SER 12 -7.076 -10.735 -5.775
68 HA SER 12 HA SER 12 -7.242 -8.839 -3.608
69 HB2 SER 12 1HB SER 12 -4.898 -10.576 -4.411
70 HB3 SER 12 2HB SER 12 -5.147 -9.787 -2.854
71 HG SER 12 HG SER 12 -7.201 -11.112 -2.881
72 H HIS 13 H HIS 13 -5.629 -7.212 -3.183
73 HA HIS 13 HA HIS 13 -4.297 -6.192 -5.602
74 HB2 HIS 13 1HB HIS 13 -5.993 -4.689 -3.616
75 HB3 HIS 13 2HB HIS 13 -4.811 -3.869 -4.632
76 HD1 HIS 13 HD1 HIS 13 -5.197 -4.524 -7.340
77 HD2 HIS 13 HD2 HIS 13 -8.437 -4.742 -4.748
78 HE1 HIS 13 HE1 HIS 13 -7.238 -4.433 -8.806
79 H GLN 14 H GLN 14 -2.350 -7.127 -4.840
80 HA GLN 14 HA GLN 14 -1.283 -6.427 -2.272
81 HB2 GLN 14 1HB GLN 14 -0.788 -8.536 -3.658
82 HB3 GLN 14 2HB GLN 14 0.312 -7.518 -4.579
83 HG2 GLN 14 1HG GLN 14 1.599 -7.047 -2.591
84 HG3 GLN 14 2HG GLN 14 0.460 -7.964 -1.606
85 HE21 GLN 14 1HE2 GLN 14 1.346 -9.794 -0.994
86 HE22 GLN 14 2HE2 GLN 14 2.307 -10.843 -1.975
87 H CYS 15 H CYS 15 0.787 -5.300 -1.992
88 HA CYS 15 HA CYS 15 0.992 -3.025 -3.849
89 HB2 CYS 15 1HB CYS 15 0.341 -2.365 -1.598
90 HB3 CYS 15 2HB CYS 15 1.723 -3.220 -0.920
91 H ARG 16 H ARG 16 2.369 -4.340 -5.226
92 HA ARG 16 HA ARG 16 4.699 -5.611 -4.594
93 HB2 ARG 16 1HB ARG 16 5.504 -5.022 -6.854
94 HB3 ARG 16 2HB ARG 16 3.832 -5.567 -6.859
95 HG2 ARG 16 1HG ARG 16 3.031 -3.330 -7.112
96 HG3 ARG 16 2HG ARG 16 4.652 -2.673 -6.879
97 HD2 ARG 16 1HD ARG 16 4.515 -2.612 -9.162
98 HD3 ARG 16 2HD ARG 16 5.215 -4.214 -8.933
99 HE ARG 16 HE ARG 16 2.380 -4.336 -8.977
100 HH11 ARG 16 1HH1 ARG 16 5.165 -3.979 -11.035
101 HH12 ARG 16 2HH1 ARG 16 4.385 -4.652 -12.428
102 HH21 ARG 16 1HH2 ARG 16 1.342 -5.224 -10.803
103 HH22 ARG 16 2HH2 ARG 16 2.210 -5.359 -12.295
104 H GLU 17 H GLU 17 4.239 -2.129 -5.051
105 HA GLU 17 HA GLU 17 6.679 -1.060 -5.085
106 HB2 GLU 17 1HB GLU 17 4.351 -0.272 -3.346
107 HB3 GLU 17 2HB GLU 17 5.824 0.685 -3.409
108 HG2 GLU 17 1HG GLU 17 3.932 0.090 -5.667
109 HG3 GLU 17 2HG GLU 17 4.242 1.648 -4.903
110 H CYS 18 H CYS 18 5.201 -2.451 -2.179
111 HA CYS 18 HA CYS 18 7.891 -2.643 -1.005
112 HB2 CYS 18 1HB CYS 18 6.988 -2.115 1.197
113 HB3 CYS 18 2HB CYS 18 6.657 -0.799 0.076
114 H GLY 19 H GLY 19 4.539 -3.820 -0.861
115 HA2 GLY 19 1HA GLY 19 4.312 -6.273 -1.222
116 HA3 GLY 19 2HA GLY 19 5.619 -6.453 -0.060
117 H GLU 20 H GLU 20 2.402 -4.934 -0.304
118 HA GLU 20 HA GLU 20 1.747 -6.105 2.303
119 HB2 GLU 20 1HB GLU 20 2.461 -3.694 2.548
120 HB3 GLU 20 2HB GLU 20 1.059 -3.256 1.583
121 HG2 GLU 20 1HG GLU 20 0.355 -2.958 3.775
122 HG3 GLU 20 2HG GLU 20 -0.313 -4.525 3.323
123 H ILE 21 H ILE 21 -0.521 -6.349 2.696
124 HA ILE 21 HA ILE 21 -2.137 -6.299 0.231
125 HB ILE 21 HB ILE 21 -2.352 -8.275 2.506
126 HG12 ILE 21 1HG1 ILE 21 -1.492 -8.881 -0.315
127 HG13 ILE 21 2HG1 ILE 21 -0.326 -8.413 0.917
128 HG21 ILE 21 1HG2 ILE 21 -3.668 -8.648 -0.135
129 HG22 ILE 21 2HG2 ILE 21 -4.148 -9.227 1.459
130 HG23 ILE 21 3HG2 ILE 21 -4.400 -7.537 1.023
131 HD11 ILE 21 3HD1 ILE 21 -2.145 -10.568 1.707
132 HD12 ILE 21 1HD1 ILE 21 -1.059 -10.956 0.373
133 HD13 ILE 21 2HD1 ILE 21 -0.401 -10.412 1.917
134 H PHE 22 H PHE 22 -4.196 -5.515 0.332
135 HA PHE 22 HA PHE 22 -5.159 -4.584 2.952
136 HB2 PHE 22 1HB PHE 22 -5.377 -3.040 0.360
137 HB3 PHE 22 2HB PHE 22 -5.955 -2.518 1.939
138 HD1 PHE 22 HD1 PHE 22 -2.865 -3.451 0.103
139 HD2 PHE 22 HD2 PHE 22 -4.577 -1.285 3.342
140 HE1 PHE 22 HE1 PHE 22 -0.687 -2.393 0.542
141 HE2 PHE 22 HE2 PHE 22 -2.403 -0.223 3.786
142 HZ PHE 22 HZ PHE 22 -0.454 -0.775 2.385
143 H PHE 23 H PHE 23 -7.423 -4.481 3.206
144 HA PHE 23 HA PHE 23 -8.842 -6.486 1.724
145 HB2 PHE 23 1HB PHE 23 -10.052 -4.584 3.725
146 HB3 PHE 23 2HB PHE 23 -10.589 -6.207 3.304
147 HD1 PHE 23 HD2 PHE 23 -8.605 -8.026 3.656
148 HD2 PHE 23 HD1 PHE 23 -9.070 -4.363 5.774
149 HE1 PHE 23 HE2 PHE 23 -7.294 -8.944 5.525
150 HE2 PHE 23 HE1 PHE 23 -7.759 -5.275 7.646
151 HZ PHE 23 HZ PHE 23 -6.870 -7.569 7.523
152 H GLN 24 H GLN 24 -9.475 -3.024 2.316
153 HA GLN 24 HA GLN 24 -11.263 -2.963 0.018
154 HB2 GLN 24 1HB GLN 24 -11.562 -1.801 2.379
155 HB3 GLN 24 2HB GLN 24 -10.621 -0.526 1.616
156 HG2 GLN 24 1HG GLN 24 -12.260 -0.111 0.010
157 HG3 GLN 24 2HG GLN 24 -13.065 -1.652 0.304
158 HE21 GLN 24 1HE2 GLN 24 -12.231 1.388 1.917
159 HE22 GLN 24 2HE2 GLN 24 -13.677 1.488 2.857
160 H TYR 25 H TYR 25 -10.928 -1.770 -1.823
161 HA TYR 25 HA TYR 25 -8.296 -1.440 -2.721
162 HB2 TYR 25 1HB TYR 25 -10.303 -1.755 -4.179
163 HB3 TYR 25 2HB TYR 25 -10.764 -0.092 -3.834
164 HD1 TYR 25 HD1 TYR 25 -7.757 -1.980 -5.017
165 HD2 TYR 25 HD2 TYR 25 -10.184 1.494 -5.399
166 HE1 TYR 25 HE1 TYR 25 -6.352 -1.211 -6.884
167 HE2 TYR 25 HE2 TYR 25 -8.786 2.272 -7.268
168 HH TYR 25 HH TYR 25 -7.236 1.521 -8.845
169 H VAL 26 H VAL 26 -10.520 0.778 -1.178
170 HA VAL 26 HA VAL 26 -9.122 3.173 -1.752
171 HB VAL 26 HB VAL 26 -10.907 2.609 0.619
172 HG11 VAL 26 1HG1 VAL 26 -11.317 5.184 0.080
173 HG12 VAL 26 2HG1 VAL 26 -10.036 4.637 1.164
174 HG13 VAL 26 3HG1 VAL 26 -9.660 5.049 -0.510
175 HG21 VAL 26 3HG2 VAL 26 -11.491 3.168 -2.241
176 HG22 VAL 26 1HG2 VAL 26 -12.357 2.156 -1.084
177 HG23 VAL 26 2HG2 VAL 26 -12.527 3.910 -1.022
178 H SER 27 H SER 27 -8.534 0.606 0.442
179 HA SER 27 HA SER 27 -6.977 2.137 2.316
180 HB2 SER 27 1HB SER 27 -7.224 -0.853 1.912
181 HB3 SER 27 2HB SER 27 -6.374 -0.085 3.252
182 HG SER 27 HG SER 27 -8.283 0.689 4.024
183 H LEU 28 H LEU 28 -6.413 0.502 -0.670
184 HA LEU 28 HA LEU 28 -3.536 0.387 -0.292
185 HB2 LEU 28 1HB LEU 28 -4.573 -1.438 -1.467
186 HB3 LEU 28 2HB LEU 28 -5.309 -0.328 -2.621
187 HG LEU 28 HG LEU 28 -3.045 0.236 -3.456
188 HD11 LEU 28 1HD1 LEU 28 -2.275 -1.332 -1.147
189 HD12 LEU 28 2HD1 LEU 28 -1.319 -0.228 -2.134
190 HD13 LEU 28 3HD1 LEU 28 -1.508 -1.911 -2.626
191 HD21 LEU 28 3HD2 LEU 28 -3.083 -1.472 -4.935
192 HD22 LEU 28 1HD2 LEU 28 -4.610 -1.837 -4.131
193 HD23 LEU 28 2HD2 LEU 28 -3.145 -2.707 -3.676
194 H ILE 29 H ILE 29 -5.749 1.908 -2.643
195 HA ILE 29 HA ILE 29 -4.014 3.445 -4.067
196 HB ILE 29 HB ILE 29 -6.526 3.319 -4.347
197 HG12 ILE 29 1HG1 ILE 29 -5.422 6.129 -4.444
198 HG13 ILE 29 2HG1 ILE 29 -4.953 4.874 -5.586
199 HG21 ILE 29 1HG2 ILE 29 -7.878 5.007 -3.232
200 HG22 ILE 29 2HG2 ILE 29 -7.120 3.938 -2.053
201 HG23 ILE 29 3HG2 ILE 29 -6.469 5.554 -2.323
202 HD11 ILE 29 3HD1 ILE 29 -7.796 5.743 -5.160
203 HD12 ILE 29 1HD1 ILE 29 -6.730 6.442 -6.377
204 HD13 ILE 29 2HD1 ILE 29 -7.154 4.732 -6.454
205 H GLU 30 H GLU 30 -5.343 4.186 -0.872
206 HA GLU 30 HA GLU 30 -4.119 6.755 -0.687
207 HB2 GLU 30 1HB GLU 30 -5.486 4.920 1.250
208 HB3 GLU 30 2HB GLU 30 -4.612 6.325 1.843
209 HG2 GLU 30 1HG GLU 30 -6.706 6.563 -0.285
210 HG3 GLU 30 2HG GLU 30 -7.118 6.557 1.429
211 H HIS 31 H HIS 31 -3.307 3.538 0.561
212 HA HIS 31 HA HIS 31 -1.096 4.198 2.101
213 HB2 HIS 31 1HB HIS 31 -1.809 1.987 2.316
214 HB3 HIS 31 2HB HIS 31 -1.872 1.734 0.574
215 HD1 HIS 31 HD1 HIS 31 0.406 1.548 3.496
216 HD2 HIS 31 HD2 HIS 31 0.626 1.145 -0.633
217 HE1 HIS 31 HE1 HIS 31 2.635 0.476 3.043
218 H GLN 32 H GLN 32 -1.303 3.561 -1.373
219 HA GLN 32 HA GLN 32 1.255 3.376 -2.184
220 HB2 GLN 32 1HB GLN 32 -1.097 4.795 -3.340
221 HB3 GLN 32 2HB GLN 32 0.471 5.048 -4.094
222 HG2 GLN 32 1HG GLN 32 0.585 2.442 -4.058
223 HG3 GLN 32 2HG GLN 32 -1.168 2.569 -3.913
224 HE21 GLN 32 1HE2 GLN 32 -2.083 4.279 -5.515
225 HE22 GLN 32 2HE2 GLN 32 -1.534 4.109 -7.144
226 H VAL 33 H VAL 33 -0.356 6.424 -1.331
227 HA VAL 33 HA VAL 33 1.420 8.335 -1.924
228 HB VAL 33 HB VAL 33 -0.064 7.974 0.671
229 HG11 VAL 33 1HG1 VAL 33 1.889 9.338 1.147
230 HG12 VAL 33 2HG1 VAL 33 1.514 10.384 -0.224
231 HG13 VAL 33 3HG1 VAL 33 0.430 10.327 1.166
232 HG21 VAL 33 3HG2 VAL 33 -1.638 8.403 -0.952
233 HG22 VAL 33 1HG2 VAL 33 -1.247 10.039 -0.420
234 HG23 VAL 33 2HG2 VAL 33 -0.541 9.402 -1.905
235 H LEU 34 H LEU 34 1.758 6.105 0.813
236 HA LEU 34 HA LEU 34 3.915 7.055 2.137
237 HB2 LEU 34 1HB LEU 34 3.171 4.257 1.378
238 HB3 LEU 34 2HB LEU 34 4.632 4.574 2.310
239 HG LEU 34 HG LEU 34 1.866 5.397 3.182
240 HD11 LEU 34 1HD1 LEU 34 2.986 2.805 3.104
241 HD12 LEU 34 2HD1 LEU 34 1.484 3.327 3.867
242 HD13 LEU 34 3HD1 LEU 34 2.989 3.332 4.787
243 HD21 LEU 34 3HD2 LEU 34 4.600 5.640 4.306
244 HD22 LEU 34 1HD2 LEU 34 3.284 5.278 5.422
245 HD23 LEU 34 2HD2 LEU 34 3.221 6.733 4.428
246 H HIS 35 H HIS 35 4.072 5.098 -0.831
247 HA HIS 35 HA HIS 35 6.931 5.508 -1.042
248 HB2 HIS 35 1HB HIS 35 5.196 4.281 -3.171
249 HB3 HIS 35 2HB HIS 35 6.893 3.966 -2.817
250 HD1 HIS 35 HD1 HIS 35 7.146 2.915 -0.191
251 HD2 HIS 35 HD2 HIS 35 3.634 2.263 -2.314
252 HE1 HIS 35 HE1 HIS 35 6.061 0.926 0.899
253 H MET 36 H MET 36 5.276 7.867 -1.122
254 HA MET 36 HA MET 36 6.170 8.913 -3.703
255 HB2 MET 36 1HB MET 36 3.359 9.004 -2.644
256 HB3 MET 36 2HB MET 36 3.951 10.248 -3.737
257 HG2 MET 36 1HG MET 36 4.636 8.256 -5.239
258 HG3 MET 36 2HG MET 36 3.497 7.344 -4.251
259 HE1 MET 36 3HE MET 36 0.125 8.650 -4.957
260 HE2 MET 36 1HE MET 36 0.859 7.136 -5.485
261 HE3 MET 36 2HE MET 36 1.236 7.789 -3.891
262 H GLY 37 H GLY 37 7.549 10.477 -3.178
263 HA2 GLY 37 1HA GLY 37 6.672 12.602 -1.397
264 HA3 GLY 37 2HA GLY 37 8.082 11.700 -0.862
265 H GLN 38 H GLN 38 9.687 13.153 -1.083
266 HA GLN 38 HA GLN 38 9.925 14.602 -3.622
267 HB2 GLN 38 1HB GLN 38 11.055 15.047 -0.875
268 HB3 GLN 38 2HB GLN 38 11.783 15.816 -2.279
269 HG2 GLN 38 1HG GLN 38 8.860 16.078 -1.672
270 HG3 GLN 38 2HG GLN 38 10.065 17.146 -0.955
271 HE21 GLN 38 1HE2 GLN 38 8.141 16.496 -3.660
272 HE22 GLN 38 2HE2 GLN 38 8.768 17.720 -4.706
273 H LYS 39 H LYS 39 10.684 12.794 -4.823
274 HA LYS 39 HA LYS 39 13.457 12.023 -4.187
275 HB2 LYS 39 1HB LYS 39 11.697 10.195 -4.102
276 HB3 LYS 39 2HB LYS 39 11.519 10.404 -5.839
277 HG2 LYS 39 1HG LYS 39 14.022 9.967 -5.985
278 HG3 LYS 39 2HG LYS 39 13.904 9.414 -4.313
279 HD2 LYS 39 1HD LYS 39 12.490 7.631 -4.886
280 HD3 LYS 39 2HD LYS 39 12.106 8.330 -6.461
281 HE2 LYS 39 1HE LYS 39 14.163 7.729 -7.366
282 HE3 LYS 39 2HE LYS 39 14.917 7.553 -5.783
283 HZ1 LYS 39 3HZ LYS 39 14.434 5.408 -5.825
284 HZ2 LYS 39 1HZ LYS 39 13.726 5.575 -7.353
285 HZ3 LYS 39 2HZ LYS 39 12.782 5.747 -5.960
286 H ASN 40 H ASN 40 11.197 12.398 -6.920
287 HA ASN 40 HA ASN 40 13.426 12.858 -8.730
288 HB2 ASN 40 1HB ASN 40 11.809 12.754 -10.503
289 HB3 ASN 40 2HB ASN 40 11.451 11.448 -9.377
290 HD21 ASN 40 1HD2 ASN 40 9.707 11.768 -7.869
291 HD22 ASN 40 2HD2 ASN 40 8.381 12.787 -8.301
292 H SER 41 H SER 41 14.160 14.805 -9.259
293 HA SER 41 HA SER 41 12.710 17.159 -8.333
294 HB2 SER 41 1HB SER 41 15.469 16.998 -9.566
295 HB3 SER 41 2HB SER 41 14.772 18.375 -8.713
296 HG SER 41 HG SER 41 16.245 16.722 -7.582
297 H GLY 42 H GLY 42 11.026 17.140 -9.897
298 HA2 GLY 42 1HA GLY 42 11.909 17.869 -12.621
299 HA3 GLY 42 2HA GLY 42 10.396 17.049 -12.265
300 HA PRO 43 HA PRO 43 8.403 20.961 -12.362
301 HB2 PRO 43 1HB PRO 43 6.187 20.366 -10.911
302 HB3 PRO 43 2HB PRO 43 6.436 19.791 -12.564
303 HG2 PRO 43 1HG PRO 43 6.872 18.356 -9.973
304 HG3 PRO 43 2HG PRO 43 6.131 17.762 -11.469
305 HD2 PRO 43 1HD PRO 43 8.687 17.190 -10.783
306 HD3 PRO 43 2HD PRO 43 8.169 17.369 -12.472
307 H SER 44 H SER 44 9.742 19.621 -9.594
308 HA SER 44 HA SER 44 8.892 20.841 -7.382
309 HB2 SER 44 1HB SER 44 11.264 21.098 -6.657
310 HB3 SER 44 2HB SER 44 10.931 19.525 -7.380
311 HG SER 44 HG SER 44 12.155 21.747 -8.656
312 H SER 45 H SER 45 7.887 22.778 -7.418
313 HA SER 45 HA SER 45 9.556 25.121 -7.999
314 HB2 SER 45 1HB SER 45 7.696 26.237 -9.130
315 HB3 SER 45 2HB SER 45 8.097 24.732 -9.957
316 HG SER 45 HG SER 45 5.964 25.149 -8.130
317 H GLY 46 H GLY 46 8.688 27.129 -7.030
318 HA2 GLY 46 1HA GLY 46 7.243 26.515 -4.526
319 HA3 GLY 46 2HA GLY 46 8.513 27.724 -4.650
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -11.746 -29.264 -14.820
2 HA2 GLY 1 1HA GLY 1 -9.156 -27.991 -15.105
3 HA3 GLY 1 2HA GLY 1 -10.491 -27.121 -15.846
4 H SER 2 H SER 2 -10.131 -28.914 -12.786
5 HA SER 2 HA SER 2 -11.760 -27.149 -11.319
6 HB2 SER 2 1HB SER 2 -11.027 -29.573 -10.761
7 HB3 SER 2 2HB SER 2 -9.602 -28.817 -10.047
8 HG SER 2 HG SER 2 -11.596 -29.215 -8.692
9 H SER 3 H SER 3 -8.214 -27.514 -11.344
10 HA SER 3 HA SER 3 -8.024 -24.758 -10.316
11 HB2 SER 3 1HB SER 3 -6.005 -26.973 -9.900
12 HB3 SER 3 2HB SER 3 -5.981 -25.366 -9.174
13 HG SER 3 HG SER 3 -7.662 -27.549 -8.618
14 H GLY 4 H GLY 4 -8.006 -23.926 -12.457
15 HA2 GLY 4 1HA GLY 4 -6.121 -24.777 -14.413
16 HA3 GLY 4 2HA GLY 4 -7.053 -23.287 -14.451
17 H SER 5 H SER 5 -4.153 -23.981 -14.991
18 HA SER 5 HA SER 5 -2.756 -22.440 -12.962
19 HB2 SER 5 1HB SER 5 -0.728 -23.018 -14.210
20 HB3 SER 5 2HB SER 5 -1.698 -24.460 -13.910
21 HG SER 5 HG SER 5 -2.412 -24.388 -16.029
22 H SER 6 H SER 6 -4.534 -20.769 -13.970
23 HA SER 6 HA SER 6 -3.174 -19.193 -16.045
24 HB2 SER 6 1HB SER 6 -6.038 -19.268 -15.098
25 HB3 SER 6 2HB SER 6 -5.420 -17.959 -16.106
26 HG SER 6 HG SER 6 -4.860 -19.532 -17.668
27 H GLY 7 H GLY 7 -4.755 -18.885 -12.878
28 HA2 GLY 7 1HA GLY 7 -3.872 -17.576 -11.108
29 HA3 GLY 7 2HA GLY 7 -2.969 -16.637 -12.288
30 H SER 8 H SER 8 -4.727 -15.745 -10.111
31 HA SER 8 HA SER 8 -6.382 -13.952 -11.708
32 HB2 SER 8 1HB SER 8 -8.401 -14.376 -10.561
33 HB3 SER 8 2HB SER 8 -7.753 -15.978 -10.912
34 HG SER 8 HG SER 8 -6.900 -15.978 -8.761
35 H ARG 9 H ARG 9 -6.069 -11.934 -11.056
36 HA ARG 9 HA ARG 9 -5.376 -11.447 -8.237
37 HB2 ARG 9 1HB ARG 9 -4.026 -10.422 -10.717
38 HB3 ARG 9 2HB ARG 9 -3.961 -9.506 -9.218
39 HG2 ARG 9 1HG ARG 9 -2.014 -10.737 -9.142
40 HG3 ARG 9 2HG ARG 9 -3.120 -11.720 -8.181
41 HD2 ARG 9 1HD ARG 9 -3.338 -13.323 -9.832
42 HD3 ARG 9 2HD ARG 9 -2.867 -12.210 -11.116
43 HE ARG 9 HE ARG 9 -0.674 -12.540 -9.427
44 HH11 ARG 9 1HH1 ARG 9 -2.606 -14.429 -11.622
45 HH12 ARG 9 2HH1 ARG 9 -1.313 -15.504 -12.042
46 HH21 ARG 9 1HH2 ARG 9 1.036 -13.948 -9.971
47 HH22 ARG 9 2HH2 ARG 9 0.758 -15.229 -11.102
48 H GLU 10 H GLU 10 -7.956 -11.268 -9.051
49 HA GLU 10 HA GLU 10 -8.428 -8.387 -9.424
50 HB2 GLU 10 1HB GLU 10 -10.772 -9.131 -10.044
51 HB3 GLU 10 2HB GLU 10 -9.499 -9.563 -11.176
52 HG2 GLU 10 1HG GLU 10 -9.431 -11.822 -10.181
53 HG3 GLU 10 2HG GLU 10 -10.787 -11.373 -9.148
54 H LYS 11 H LYS 11 -9.583 -11.229 -7.632
55 HA LYS 11 HA LYS 11 -11.307 -9.842 -5.895
56 HB2 LYS 11 1HB LYS 11 -10.004 -12.522 -5.901
57 HB3 LYS 11 2HB LYS 11 -10.698 -11.950 -4.389
58 HG2 LYS 11 1HG LYS 11 -12.318 -11.868 -6.895
59 HG3 LYS 11 2HG LYS 11 -12.127 -13.383 -6.010
60 HD2 LYS 11 1HD LYS 11 -13.055 -12.386 -4.018
61 HD3 LYS 11 2HD LYS 11 -13.122 -10.804 -4.799
62 HE2 LYS 11 1HE LYS 11 -15.305 -11.565 -4.986
63 HE3 LYS 11 2HE LYS 11 -14.608 -11.992 -6.548
64 HZ1 LYS 11 3HZ LYS 11 -15.481 -13.717 -4.370
65 HZ2 LYS 11 1HZ LYS 11 -14.088 -14.203 -5.200
66 HZ3 LYS 11 2HZ LYS 11 -15.536 -13.970 -6.042
67 H SER 12 H SER 12 -7.911 -10.805 -5.554
68 HA SER 12 HA SER 12 -7.744 -9.268 -3.063
69 HB2 SER 12 1HB SER 12 -5.706 -11.140 -4.292
70 HB3 SER 12 2HB SER 12 -5.618 -10.406 -2.691
71 HG SER 12 HG SER 12 -6.751 -12.024 -2.010
72 H HIS 13 H HIS 13 -6.209 -7.640 -2.764
73 HA HIS 13 HA HIS 13 -4.846 -6.677 -5.185
74 HB2 HIS 13 1HB HIS 13 -6.552 -5.073 -3.280
75 HB3 HIS 13 2HB HIS 13 -5.398 -4.329 -4.383
76 HD1 HIS 13 HD1 HIS 13 -5.862 -5.454 -7.012
77 HD2 HIS 13 HD2 HIS 13 -9.013 -4.934 -4.355
78 HE1 HIS 13 HE1 HIS 13 -7.937 -5.401 -8.432
79 H GLN 14 H GLN 14 -2.863 -7.430 -4.448
80 HA GLN 14 HA GLN 14 -1.889 -6.419 -1.881
81 HB2 GLN 14 1HB GLN 14 -1.614 -8.834 -2.459
82 HB3 GLN 14 2HB GLN 14 -0.555 -8.355 -3.779
83 HG2 GLN 14 1HG GLN 14 0.842 -7.181 -1.992
84 HG3 GLN 14 2HG GLN 14 -0.091 -8.122 -0.829
85 HE21 GLN 14 1HE2 GLN 14 2.764 -8.193 -1.484
86 HE22 GLN 14 2HE2 GLN 14 3.103 -9.826 -1.934
87 H CYS 15 H CYS 15 0.140 -5.339 -1.718
88 HA CYS 15 HA CYS 15 0.659 -3.611 -4.008
89 HB2 CYS 15 1HB CYS 15 0.407 -2.407 -1.980
90 HB3 CYS 15 2HB CYS 15 1.468 -3.507 -1.106
91 H ARG 16 H ARG 16 2.571 -3.501 -5.101
92 HA ARG 16 HA ARG 16 4.452 -5.697 -4.609
93 HB2 ARG 16 1HB ARG 16 4.098 -3.952 -7.054
94 HB3 ARG 16 2HB ARG 16 5.219 -5.299 -6.914
95 HG2 ARG 16 1HG ARG 16 3.054 -6.652 -6.346
96 HG3 ARG 16 2HG ARG 16 2.255 -5.318 -7.182
97 HD2 ARG 16 1HD ARG 16 3.997 -5.733 -9.037
98 HD3 ARG 16 2HD ARG 16 4.250 -7.287 -8.244
99 HE ARG 16 HE ARG 16 1.493 -6.695 -8.830
100 HH11 ARG 16 1HH1 ARG 16 4.458 -8.081 -10.018
101 HH12 ARG 16 2HH1 ARG 16 3.670 -9.100 -11.176
102 HH21 ARG 16 1HH2 ARG 16 0.444 -8.032 -10.352
103 HH22 ARG 16 2HH2 ARG 16 1.387 -9.071 -11.366
104 H GLU 17 H GLU 17 4.192 -2.229 -4.718
105 HA GLU 17 HA GLU 17 6.787 -1.397 -5.022
106 HB2 GLU 17 1HB GLU 17 4.662 -0.330 -3.161
107 HB3 GLU 17 2HB GLU 17 6.179 0.499 -3.479
108 HG2 GLU 17 1HG GLU 17 4.032 -0.148 -5.484
109 HG3 GLU 17 2HG GLU 17 4.424 1.441 -4.830
110 H CYS 18 H CYS 18 5.243 -2.115 -1.884
111 HA CYS 18 HA CYS 18 7.930 -2.629 -0.790
112 HB2 CYS 18 1HB CYS 18 7.025 -2.055 1.404
113 HB3 CYS 18 2HB CYS 18 6.760 -0.736 0.268
114 H GLY 19 H GLY 19 4.578 -3.756 -0.859
115 HA2 GLY 19 1HA GLY 19 4.198 -6.148 -1.101
116 HA3 GLY 19 2HA GLY 19 5.565 -6.412 -0.028
117 H GLU 20 H GLU 20 2.203 -5.477 -0.229
118 HA GLU 20 HA GLU 20 1.754 -6.420 2.456
119 HB2 GLU 20 1HB GLU 20 2.445 -4.114 2.902
120 HB3 GLU 20 2HB GLU 20 1.231 -3.521 1.778
121 HG2 GLU 20 1HG GLU 20 0.148 -3.210 3.756
122 HG3 GLU 20 2HG GLU 20 -0.411 -4.830 3.343
123 H ILE 21 H ILE 21 -0.295 -7.156 2.733
124 HA ILE 21 HA ILE 21 -2.078 -6.934 0.416
125 HB ILE 21 HB ILE 21 -2.158 -8.880 2.725
126 HG12 ILE 21 1HG1 ILE 21 -1.491 -9.486 -0.150
127 HG13 ILE 21 2HG1 ILE 21 -0.250 -9.036 1.013
128 HG21 ILE 21 1HG2 ILE 21 -4.369 -8.356 1.724
129 HG22 ILE 21 2HG2 ILE 21 -3.751 -8.908 0.168
130 HG23 ILE 21 3HG2 ILE 21 -3.880 -10.038 1.516
131 HD11 ILE 21 3HD1 ILE 21 -0.993 -10.953 2.423
132 HD12 ILE 21 1HD1 ILE 21 -2.048 -11.441 1.098
133 HD13 ILE 21 2HD1 ILE 21 -0.300 -11.405 0.866
134 H PHE 22 H PHE 22 -3.680 -5.519 0.527
135 HA PHE 22 HA PHE 22 -4.758 -4.803 3.169
136 HB2 PHE 22 1HB PHE 22 -4.711 -3.258 0.572
137 HB3 PHE 22 2HB PHE 22 -5.598 -2.739 2.002
138 HD1 PHE 22 HD2 PHE 22 -4.340 -2.197 4.089
139 HD2 PHE 22 HD1 PHE 22 -2.397 -2.892 0.366
140 HE1 PHE 22 HE2 PHE 22 -2.316 -1.089 4.942
141 HE2 PHE 22 HE1 PHE 22 -0.369 -1.785 1.214
142 HZ PHE 22 HZ PHE 22 -0.327 -0.881 3.504
143 H PHE 23 H PHE 23 -7.031 -4.529 3.405
144 HA PHE 23 HA PHE 23 -8.547 -6.388 1.756
145 HB2 PHE 23 1HB PHE 23 -9.100 -5.012 4.379
146 HB3 PHE 23 2HB PHE 23 -10.349 -5.901 3.514
147 HD1 PHE 23 HD1 PHE 23 -6.786 -6.434 4.503
148 HD2 PHE 23 HD2 PHE 23 -10.724 -8.031 4.252
149 HE1 PHE 23 HE1 PHE 23 -6.000 -8.527 5.532
150 HE2 PHE 23 HE2 PHE 23 -9.944 -10.125 5.281
151 HZ PHE 23 HZ PHE 23 -7.579 -10.375 5.923
152 H GLN 24 H GLN 24 -9.144 -3.128 3.082
153 HA GLN 24 HA GLN 24 -11.210 -2.583 1.187
154 HB2 GLN 24 1HB GLN 24 -9.729 -0.844 3.157
155 HB3 GLN 24 2HB GLN 24 -11.002 -0.229 2.111
156 HG2 GLN 24 1HG GLN 24 -12.656 -1.333 3.234
157 HG3 GLN 24 2HG GLN 24 -11.577 -2.612 3.788
158 HE21 GLN 24 1HE2 GLN 24 -9.957 -1.974 5.418
159 HE22 GLN 24 2HE2 GLN 24 -10.418 -0.816 6.614
160 H TYR 25 H TYR 25 -11.119 -1.568 -0.734
161 HA TYR 25 HA TYR 25 -8.648 -1.330 -2.083
162 HB2 TYR 25 1HB TYR 25 -11.052 -1.697 -3.021
163 HB3 TYR 25 2HB TYR 25 -11.137 0.061 -3.019
164 HD1 TYR 25 HD2 TYR 25 -9.695 1.377 -4.502
165 HD2 TYR 25 HD1 TYR 25 -9.655 -2.876 -4.592
166 HE1 TYR 25 HE2 TYR 25 -8.535 1.440 -6.669
167 HE2 TYR 25 HE1 TYR 25 -8.493 -2.826 -6.759
168 HH TYR 25 HH TYR 25 -6.946 -1.101 -7.978
169 H VAL 26 H VAL 26 -10.872 1.083 -0.738
170 HA VAL 26 HA VAL 26 -9.583 3.394 -1.581
171 HB VAL 26 HB VAL 26 -11.075 2.930 1.004
172 HG11 VAL 26 1HG1 VAL 26 -11.368 5.353 1.073
173 HG12 VAL 26 2HG1 VAL 26 -9.659 4.919 1.132
174 HG13 VAL 26 3HG1 VAL 26 -10.366 5.521 -0.368
175 HG21 VAL 26 3HG2 VAL 26 -12.564 4.475 -0.811
176 HG22 VAL 26 1HG2 VAL 26 -11.920 3.113 -1.727
177 HG23 VAL 26 2HG2 VAL 26 -12.886 2.824 -0.280
178 H SER 27 H SER 27 -8.807 1.211 1.038
179 HA SER 27 HA SER 27 -6.953 2.937 2.346
180 HB2 SER 27 1HB SER 27 -7.143 -0.082 2.465
181 HB3 SER 27 2HB SER 27 -6.297 0.956 3.613
182 HG SER 27 HG SER 27 -8.186 1.656 4.403
183 H LEU 28 H LEU 28 -6.766 0.684 -0.300
184 HA LEU 28 HA LEU 28 -3.938 0.388 -0.317
185 HB2 LEU 28 1HB LEU 28 -5.245 -1.264 -1.411
186 HB3 LEU 28 2HB LEU 28 -6.059 -0.056 -2.402
187 HG LEU 28 HG LEU 28 -3.786 0.373 -3.467
188 HD11 LEU 28 1HD1 LEU 28 -3.162 -2.307 -2.239
189 HD12 LEU 28 2HD1 LEU 28 -2.489 -0.772 -1.689
190 HD13 LEU 28 3HD1 LEU 28 -2.133 -1.359 -3.314
191 HD21 LEU 28 3HD2 LEU 28 -4.159 -2.247 -4.411
192 HD22 LEU 28 1HD2 LEU 28 -4.803 -0.750 -5.088
193 HD23 LEU 28 2HD2 LEU 28 -5.749 -1.666 -3.915
194 H ILE 29 H ILE 29 -6.114 2.251 -2.446
195 HA ILE 29 HA ILE 29 -4.246 3.571 -3.962
196 HB ILE 29 HB ILE 29 -6.787 3.692 -4.141
197 HG12 ILE 29 1HG1 ILE 29 -5.350 6.336 -4.404
198 HG13 ILE 29 2HG1 ILE 29 -5.107 4.992 -5.514
199 HG21 ILE 29 1HG2 ILE 29 -6.621 4.836 -1.668
200 HG22 ILE 29 2HG2 ILE 29 -6.824 6.242 -2.711
201 HG23 ILE 29 3HG2 ILE 29 -8.014 4.942 -2.745
202 HD11 ILE 29 3HD1 ILE 29 -7.812 5.223 -5.528
203 HD12 ILE 29 1HD1 ILE 29 -7.310 6.900 -5.319
204 HD13 ILE 29 2HD1 ILE 29 -6.725 5.969 -6.698
205 H GLU 30 H GLU 30 -5.120 4.143 -0.639
206 HA GLU 30 HA GLU 30 -3.800 6.699 -0.484
207 HB2 GLU 30 1HB GLU 30 -5.167 4.887 1.465
208 HB3 GLU 30 2HB GLU 30 -4.113 6.156 2.070
209 HG2 GLU 30 1HG GLU 30 -5.444 7.840 0.959
210 HG3 GLU 30 2HG GLU 30 -6.466 6.594 0.246
211 H HIS 31 H HIS 31 -3.129 3.402 0.651
212 HA HIS 31 HA HIS 31 -0.709 3.930 1.945
213 HB2 HIS 31 1HB HIS 31 -1.503 1.818 2.421
214 HB3 HIS 31 2HB HIS 31 -1.970 1.501 0.753
215 HD1 HIS 31 HD1 HIS 31 1.106 1.610 2.948
216 HD2 HIS 31 HD2 HIS 31 -0.130 0.105 -0.722
217 HE1 HIS 31 HE1 HIS 31 2.986 0.139 2.158
218 H GLN 32 H GLN 32 -1.380 3.099 -1.430
219 HA GLN 32 HA GLN 32 1.203 2.756 -2.359
220 HB2 GLN 32 1HB GLN 32 -1.237 3.901 -3.710
221 HB3 GLN 32 2HB GLN 32 0.271 3.610 -4.566
222 HG2 GLN 32 1HG GLN 32 -0.909 1.376 -3.009
223 HG3 GLN 32 2HG GLN 32 -1.675 1.836 -4.529
224 HE21 GLN 32 1HE2 GLN 32 -0.945 0.869 -6.275
225 HE22 GLN 32 2HE2 GLN 32 0.608 0.135 -6.461
226 H VAL 33 H VAL 33 -0.654 5.765 -2.048
227 HA VAL 33 HA VAL 33 0.988 7.591 -3.218
228 HB VAL 33 HB VAL 33 -0.434 7.930 -0.574
229 HG11 VAL 33 1HG1 VAL 33 0.381 9.991 -0.473
230 HG12 VAL 33 2HG1 VAL 33 1.365 9.666 -1.902
231 HG13 VAL 33 3HG1 VAL 33 -0.256 10.339 -2.080
232 HG21 VAL 33 3HG2 VAL 33 -2.100 9.116 -2.120
233 HG22 VAL 33 1HG2 VAL 33 -1.282 8.267 -3.432
234 HG23 VAL 33 2HG2 VAL 33 -2.069 7.353 -2.145
235 H LEU 34 H LEU 34 1.379 6.189 0.011
236 HA LEU 34 HA LEU 34 3.386 7.649 1.093
237 HB2 LEU 34 1HB LEU 34 3.311 4.636 1.043
238 HB3 LEU 34 2HB LEU 34 4.160 5.638 2.218
239 HG LEU 34 HG LEU 34 1.164 5.597 1.877
240 HD11 LEU 34 1HD1 LEU 34 2.985 3.823 3.340
241 HD12 LEU 34 2HD1 LEU 34 1.320 3.567 2.819
242 HD13 LEU 34 3HD1 LEU 34 1.653 4.473 4.295
243 HD21 LEU 34 3HD2 LEU 34 2.836 7.439 3.119
244 HD22 LEU 34 1HD2 LEU 34 2.224 6.432 4.432
245 HD23 LEU 34 2HD2 LEU 34 1.097 7.258 3.355
246 H HIS 35 H HIS 35 3.833 5.016 -1.258
247 HA HIS 35 HA HIS 35 6.640 5.254 -1.428
248 HB2 HIS 35 1HB HIS 35 4.810 4.247 -3.609
249 HB3 HIS 35 2HB HIS 35 6.497 3.817 -3.341
250 HD1 HIS 35 HD1 HIS 35 6.591 2.944 -0.503
251 HD2 HIS 35 HD2 HIS 35 3.370 2.058 -2.974
252 HE1 HIS 35 HE1 HIS 35 5.482 0.938 0.531
253 H MET 36 H MET 36 4.017 6.627 -3.380
254 HA MET 36 HA MET 36 5.299 7.786 -5.453
255 HB2 MET 36 1HB MET 36 2.823 8.013 -4.549
256 HB3 MET 36 2HB MET 36 3.429 9.542 -3.926
257 HG2 MET 36 1HG MET 36 3.665 8.717 -6.805
258 HG3 MET 36 2HG MET 36 2.314 9.649 -6.163
259 HE1 MET 36 3HE MET 36 3.407 13.100 -5.842
260 HE2 MET 36 1HE MET 36 2.611 12.304 -7.200
261 HE3 MET 36 2HE MET 36 2.222 11.827 -5.547
262 H GLY 37 H GLY 37 7.108 8.930 -5.599
263 HA2 GLY 37 1HA GLY 37 8.231 11.031 -5.242
264 HA3 GLY 37 2HA GLY 37 7.591 11.044 -3.605
265 H GLN 38 H GLN 38 9.790 9.245 -5.734
266 HA GLN 38 HA GLN 38 11.862 9.242 -3.787
267 HB2 GLN 38 1HB GLN 38 10.422 7.488 -2.820
268 HB3 GLN 38 2HB GLN 38 10.512 6.592 -4.330
269 HG2 GLN 38 1HG GLN 38 12.663 5.921 -3.970
270 HG3 GLN 38 2HG GLN 38 13.049 7.320 -2.970
271 HE21 GLN 38 1HE2 GLN 38 12.484 4.077 -2.937
272 HE22 GLN 38 2HE2 GLN 38 12.078 3.873 -1.271
273 H LYS 39 H LYS 39 13.779 9.046 -4.779
274 HA LYS 39 HA LYS 39 13.962 8.941 -7.573
275 HB2 LYS 39 1HB LYS 39 15.981 8.708 -5.361
276 HB3 LYS 39 2HB LYS 39 16.465 8.512 -7.040
277 HG2 LYS 39 1HG LYS 39 14.995 10.935 -6.045
278 HG3 LYS 39 2HG LYS 39 16.756 10.812 -6.053
279 HD2 LYS 39 1HD LYS 39 16.881 10.840 -8.354
280 HD3 LYS 39 2HD LYS 39 15.241 10.220 -8.556
281 HE2 LYS 39 1HE LYS 39 14.304 12.339 -7.923
282 HE3 LYS 39 2HE LYS 39 15.896 12.966 -7.499
283 HZ1 LYS 39 3HZ LYS 39 15.773 13.809 -9.568
284 HZ2 LYS 39 1HZ LYS 39 14.660 12.655 -10.109
285 HZ3 LYS 39 2HZ LYS 39 16.305 12.271 -10.028
286 H ASN 40 H ASN 40 15.262 7.358 -8.832
287 HA ASN 40 HA ASN 40 14.508 4.631 -8.051
288 HB2 ASN 40 1HB ASN 40 15.082 5.907 -10.721
289 HB3 ASN 40 2HB ASN 40 15.009 4.158 -10.522
290 HD21 ASN 40 1HD2 ASN 40 13.028 3.213 -9.846
291 HD22 ASN 40 2HD2 ASN 40 11.527 4.015 -10.144
292 H SER 41 H SER 41 16.238 4.158 -6.687
293 HA SER 41 HA SER 41 18.883 4.049 -7.981
294 HB2 SER 41 1HB SER 41 18.122 4.321 -5.069
295 HB3 SER 41 2HB SER 41 19.759 3.934 -5.600
296 HG SER 41 HG SER 41 18.273 6.248 -6.314
297 H GLY 42 H GLY 42 16.960 2.340 -5.503
298 HA2 GLY 42 1HA GLY 42 16.487 -0.059 -6.135
299 HA3 GLY 42 2HA GLY 42 18.217 -0.169 -6.425
300 HA PRO 43 HA PRO 43 17.444 0.251 -1.638
301 HB2 PRO 43 1HB PRO 43 14.969 -0.523 -0.835
302 HB3 PRO 43 2HB PRO 43 15.370 1.152 -1.230
303 HG2 PRO 43 1HG PRO 43 13.998 -0.912 -2.908
304 HG3 PRO 43 2HG PRO 43 13.601 0.803 -2.698
305 HD2 PRO 43 1HD PRO 43 14.940 -0.128 -4.860
306 HD3 PRO 43 2HD PRO 43 15.222 1.490 -4.186
307 H SER 44 H SER 44 15.678 -2.244 -3.434
308 HA SER 44 HA SER 44 16.981 -4.277 -1.742
309 HB2 SER 44 1HB SER 44 14.375 -3.997 -1.720
310 HB3 SER 44 2HB SER 44 14.458 -4.850 -3.261
311 HG SER 44 HG SER 44 14.294 -6.448 -1.804
312 H SER 45 H SER 45 18.781 -4.159 -3.237
313 HA SER 45 HA SER 45 18.256 -5.315 -5.883
314 HB2 SER 45 1HB SER 45 20.721 -3.937 -4.790
315 HB3 SER 45 2HB SER 45 20.574 -4.595 -6.420
316 HG SER 45 HG SER 45 18.923 -3.113 -6.823
317 H GLY 46 H GLY 46 19.660 -7.012 -6.677
318 HA2 GLY 46 1HA GLY 46 21.183 -8.510 -4.697
319 HA3 GLY 46 2HA GLY 46 19.755 -9.310 -5.335
Start of MODEL 4
1 H1 GLY 1 H GLY 1 7.103 -13.512 -18.609
2 HA2 GLY 1 1HA GLY 1 9.154 -12.794 -19.468
3 HA3 GLY 1 2HA GLY 1 8.910 -11.239 -18.687
4 H SER 2 H SER 2 9.508 -10.971 -16.513
5 HA SER 2 HA SER 2 11.852 -12.248 -15.726
6 HB2 SER 2 1HB SER 2 9.838 -10.665 -14.121
7 HB3 SER 2 2HB SER 2 11.382 -11.210 -13.465
8 HG SER 2 HG SER 2 10.885 -9.346 -15.520
9 H SER 3 H SER 3 12.332 -13.819 -14.200
10 HA SER 3 HA SER 3 10.320 -15.861 -13.887
11 HB2 SER 3 1HB SER 3 12.825 -16.223 -14.368
12 HB3 SER 3 2HB SER 3 13.067 -15.917 -12.649
13 HG SER 3 HG SER 3 12.807 -18.149 -13.109
14 H GLY 4 H GLY 4 8.776 -15.206 -12.449
15 HA2 GLY 4 1HA GLY 4 9.502 -15.308 -9.658
16 HA3 GLY 4 2HA GLY 4 8.947 -13.725 -10.182
17 H SER 5 H SER 5 6.787 -13.502 -10.960
18 HA SER 5 HA SER 5 4.948 -15.694 -10.820
19 HB2 SER 5 1HB SER 5 5.235 -13.826 -8.516
20 HB3 SER 5 2HB SER 5 3.601 -14.295 -8.987
21 HG SER 5 HG SER 5 5.063 -15.650 -7.436
22 H SER 6 H SER 6 2.887 -15.170 -11.617
23 HA SER 6 HA SER 6 2.327 -12.423 -12.375
24 HB2 SER 6 1HB SER 6 2.210 -12.781 -14.716
25 HB3 SER 6 2HB SER 6 3.743 -13.496 -14.216
26 HG SER 6 HG SER 6 2.779 -15.004 -15.483
27 H GLY 7 H GLY 7 0.159 -12.336 -13.590
28 HA2 GLY 7 1HA GLY 7 -1.940 -13.535 -14.004
29 HA3 GLY 7 2HA GLY 7 -1.633 -14.428 -12.522
30 H SER 8 H SER 8 -2.396 -11.230 -13.813
31 HA SER 8 HA SER 8 -2.722 -9.667 -11.657
32 HB2 SER 8 1HB SER 8 -4.605 -10.000 -13.994
33 HB3 SER 8 2HB SER 8 -4.795 -8.722 -12.794
34 HG SER 8 HG SER 8 -3.022 -8.928 -14.860
35 H ARG 9 H ARG 9 -3.852 -9.625 -9.818
36 HA ARG 9 HA ARG 9 -5.914 -11.687 -9.433
37 HB2 ARG 9 1HB ARG 9 -4.144 -10.256 -7.447
38 HB3 ARG 9 2HB ARG 9 -5.467 -11.319 -6.986
39 HG2 ARG 9 1HG ARG 9 -4.389 -13.217 -7.816
40 HG3 ARG 9 2HG ARG 9 -3.256 -12.261 -8.774
41 HD2 ARG 9 1HD ARG 9 -3.332 -12.122 -5.773
42 HD3 ARG 9 2HD ARG 9 -2.372 -13.328 -6.631
43 HE ARG 9 HE ARG 9 -1.708 -10.603 -6.249
44 HH11 ARG 9 1HH1 ARG 9 -1.528 -13.168 -8.595
45 HH12 ARG 9 2HH1 ARG 9 -0.120 -12.530 -9.377
46 HH21 ARG 9 1HH2 ARG 9 0.145 -9.753 -7.270
47 HH22 ARG 9 2HH2 ARG 9 0.831 -10.588 -8.623
48 H GLU 10 H GLU 10 -7.940 -10.996 -9.460
49 HA GLU 10 HA GLU 10 -8.516 -8.176 -8.988
50 HB2 GLU 10 1HB GLU 10 -10.153 -10.455 -10.092
51 HB3 GLU 10 2HB GLU 10 -10.848 -8.881 -9.732
52 HG2 GLU 10 1HG GLU 10 -8.912 -8.003 -11.246
53 HG3 GLU 10 2HG GLU 10 -8.915 -9.656 -11.859
54 H LYS 11 H LYS 11 -9.575 -11.360 -7.816
55 HA LYS 11 HA LYS 11 -11.453 -10.732 -5.972
56 HB2 LYS 11 1HB LYS 11 -9.200 -12.724 -5.791
57 HB3 LYS 11 2HB LYS 11 -10.446 -12.613 -4.555
58 HG2 LYS 11 1HG LYS 11 -11.102 -13.020 -7.455
59 HG3 LYS 11 2HG LYS 11 -10.762 -14.363 -6.361
60 HD2 LYS 11 1HD LYS 11 -12.671 -13.999 -5.110
61 HD3 LYS 11 2HD LYS 11 -12.789 -12.305 -5.592
62 HE2 LYS 11 1HE LYS 11 -14.545 -13.492 -6.685
63 HE3 LYS 11 2HE LYS 11 -13.337 -13.088 -7.903
64 HZ1 LYS 11 3HZ LYS 11 -13.508 -15.243 -8.427
65 HZ2 LYS 11 1HZ LYS 11 -14.188 -15.674 -6.939
66 HZ3 LYS 11 2HZ LYS 11 -12.512 -15.506 -7.085
67 H SER 12 H SER 12 -7.943 -10.625 -5.386
68 HA SER 12 HA SER 12 -8.474 -8.778 -3.152
69 HB2 SER 12 1HB SER 12 -6.242 -10.820 -3.283
70 HB3 SER 12 2HB SER 12 -6.585 -9.727 -1.942
71 HG SER 12 HG SER 12 -8.052 -11.065 -1.270
72 H HIS 13 H HIS 13 -6.542 -7.412 -2.609
73 HA HIS 13 HA HIS 13 -5.003 -6.744 -5.030
74 HB2 HIS 13 1HB HIS 13 -6.396 -4.884 -3.106
75 HB3 HIS 13 2HB HIS 13 -5.136 -4.338 -4.207
76 HD1 HIS 13 HD1 HIS 13 -5.778 -5.306 -6.846
77 HD2 HIS 13 HD2 HIS 13 -8.812 -4.364 -4.169
78 HE1 HIS 13 HE1 HIS 13 -7.820 -4.903 -8.258
79 H GLN 14 H GLN 14 -2.862 -6.468 -4.768
80 HA GLN 14 HA GLN 14 -1.803 -6.153 -2.050
81 HB2 GLN 14 1HB GLN 14 -1.742 -8.563 -2.738
82 HB3 GLN 14 2HB GLN 14 -0.678 -8.106 -4.061
83 HG2 GLN 14 1HG GLN 14 0.936 -7.232 -2.401
84 HG3 GLN 14 2HG GLN 14 -0.112 -7.836 -1.119
85 HE21 GLN 14 1HE2 GLN 14 1.786 -8.807 -3.921
86 HE22 GLN 14 2HE2 GLN 14 2.115 -10.411 -3.371
87 H CYS 15 H CYS 15 0.280 -5.203 -1.927
88 HA CYS 15 HA CYS 15 0.912 -3.559 -4.269
89 HB2 CYS 15 1HB CYS 15 0.511 -2.312 -2.230
90 HB3 CYS 15 2HB CYS 15 1.699 -3.279 -1.363
91 H ARG 16 H ARG 16 3.024 -3.367 -5.063
92 HA ARG 16 HA ARG 16 4.714 -5.695 -4.490
93 HB2 ARG 16 1HB ARG 16 3.869 -5.080 -6.859
94 HB3 ARG 16 2HB ARG 16 5.093 -3.819 -6.806
95 HG2 ARG 16 1HG ARG 16 6.847 -5.380 -6.690
96 HG3 ARG 16 2HG ARG 16 5.747 -6.704 -6.304
97 HD2 ARG 16 1HD ARG 16 6.296 -7.016 -8.563
98 HD3 ARG 16 2HD ARG 16 4.696 -6.275 -8.584
99 HE ARG 16 HE ARG 16 6.561 -4.221 -8.747
100 HH11 ARG 16 1HH1 ARG 16 5.536 -6.964 -10.630
101 HH12 ARG 16 2HH1 ARG 16 5.944 -6.239 -12.150
102 HH21 ARG 16 1HH2 ARG 16 7.103 -3.256 -10.742
103 HH22 ARG 16 2HH2 ARG 16 6.837 -4.130 -12.212
104 H GLU 17 H GLU 17 4.778 -2.177 -4.722
105 HA GLU 17 HA GLU 17 7.414 -1.565 -4.523
106 HB2 GLU 17 1HB GLU 17 5.136 -0.306 -2.988
107 HB3 GLU 17 2HB GLU 17 6.737 0.403 -3.141
108 HG2 GLU 17 1HG GLU 17 4.932 -0.236 -5.461
109 HG3 GLU 17 2HG GLU 17 5.061 1.348 -4.697
110 H CYS 18 H CYS 18 5.307 -2.367 -1.766
111 HA CYS 18 HA CYS 18 7.718 -2.795 -0.137
112 HB2 CYS 18 1HB CYS 18 6.055 -2.717 1.793
113 HB3 CYS 18 2HB CYS 18 6.328 -1.205 0.934
114 H GLY 19 H GLY 19 4.573 -4.217 -0.963
115 HA2 GLY 19 1HA GLY 19 4.376 -6.558 -1.452
116 HA3 GLY 19 2HA GLY 19 5.721 -6.860 -0.361
117 H GLU 20 H GLU 20 2.500 -5.329 -0.197
118 HA GLU 20 HA GLU 20 1.846 -7.080 2.052
119 HB2 GLU 20 1HB GLU 20 1.968 -4.088 2.129
120 HB3 GLU 20 2HB GLU 20 0.783 -4.934 3.114
121 HG2 GLU 20 1HG GLU 20 2.620 -6.229 4.141
122 HG3 GLU 20 2HG GLU 20 3.772 -5.267 3.217
123 H ILE 21 H ILE 21 -0.390 -7.359 2.408
124 HA ILE 21 HA ILE 21 -2.031 -6.638 0.080
125 HB ILE 21 HB ILE 21 -2.475 -8.805 2.137
126 HG12 ILE 21 1HG1 ILE 21 -1.809 -9.147 -0.784
127 HG13 ILE 21 2HG1 ILE 21 -0.564 -9.070 0.457
128 HG21 ILE 21 1HG2 ILE 21 -4.229 -9.568 0.523
129 HG22 ILE 21 2HG2 ILE 21 -4.593 -8.052 1.346
130 HG23 ILE 21 3HG2 ILE 21 -4.028 -8.034 -0.324
131 HD11 ILE 21 3HD1 ILE 21 -0.904 -11.341 0.129
132 HD12 ILE 21 1HD1 ILE 21 -1.843 -10.983 1.578
133 HD13 ILE 21 2HD1 ILE 21 -2.655 -11.162 0.022
134 H PHE 22 H PHE 22 -4.161 -5.877 0.355
135 HA PHE 22 HA PHE 22 -4.726 -4.759 3.022
136 HB2 PHE 22 1HB PHE 22 -5.376 -3.505 0.347
137 HB3 PHE 22 2HB PHE 22 -5.749 -2.823 1.926
138 HD1 PHE 22 HD1 PHE 22 -3.014 -3.702 -0.384
139 HD2 PHE 22 HD2 PHE 22 -4.127 -1.630 3.164
140 HE1 PHE 22 HE1 PHE 22 -0.829 -2.571 -0.362
141 HE2 PHE 22 HE2 PHE 22 -1.944 -0.496 3.191
142 HZ PHE 22 HZ PHE 22 -0.291 -0.965 1.426
143 H PHE 23 H PHE 23 -7.026 -4.356 3.454
144 HA PHE 23 HA PHE 23 -8.632 -6.568 2.446
145 HB2 PHE 23 1HB PHE 23 -9.185 -4.605 4.681
146 HB3 PHE 23 2HB PHE 23 -10.167 -6.013 4.289
147 HD1 PHE 23 HD2 PHE 23 -8.394 -8.177 3.943
148 HD2 PHE 23 HD1 PHE 23 -8.059 -4.908 6.648
149 HE1 PHE 23 HE2 PHE 23 -7.009 -9.558 5.435
150 HE2 PHE 23 HE1 PHE 23 -6.673 -6.284 8.144
151 HZ PHE 23 HZ PHE 23 -6.147 -8.613 7.539
152 H GLN 24 H GLN 24 -8.931 -3.047 2.868
153 HA GLN 24 HA GLN 24 -11.242 -3.035 1.080
154 HB2 GLN 24 1HB GLN 24 -10.011 -0.867 2.787
155 HB3 GLN 24 2HB GLN 24 -11.400 -0.625 1.737
156 HG2 GLN 24 1HG GLN 24 -11.338 -2.644 3.962
157 HG3 GLN 24 2HG GLN 24 -11.925 -0.993 4.155
158 HE21 GLN 24 1HE2 GLN 24 -13.956 -1.901 4.736
159 HE22 GLN 24 2HE2 GLN 24 -15.045 -2.466 3.520
160 H TYR 25 H TYR 25 -11.265 -0.919 -0.350
161 HA TYR 25 HA TYR 25 -8.972 -1.179 -2.115
162 HB2 TYR 25 1HB TYR 25 -11.491 -1.096 -2.791
163 HB3 TYR 25 2HB TYR 25 -11.298 0.646 -2.631
164 HD1 TYR 25 HD1 TYR 25 -9.551 -2.248 -4.234
165 HD2 TYR 25 HD2 TYR 25 -10.740 1.826 -4.530
166 HE1 TYR 25 HE1 TYR 25 -8.621 -2.148 -6.508
167 HE2 TYR 25 HE2 TYR 25 -9.815 1.937 -6.806
168 HH TYR 25 HH TYR 25 -9.341 -0.206 -8.706
169 H VAL 26 H VAL 26 -10.658 1.379 -0.323
170 HA VAL 26 HA VAL 26 -9.120 3.555 -1.101
171 HB VAL 26 HB VAL 26 -10.343 3.075 1.621
172 HG11 VAL 26 1HG1 VAL 26 -8.683 5.161 0.706
173 HG12 VAL 26 2HG1 VAL 26 -10.321 5.811 0.799
174 HG13 VAL 26 3HG1 VAL 26 -9.582 5.072 2.220
175 HG21 VAL 26 3HG2 VAL 26 -11.715 3.058 -0.670
176 HG22 VAL 26 1HG2 VAL 26 -12.357 3.750 0.820
177 HG23 VAL 26 2HG2 VAL 26 -11.644 4.800 -0.405
178 H SER 27 H SER 27 -8.477 1.089 1.321
179 HA SER 27 HA SER 27 -6.297 2.332 2.590
180 HB2 SER 27 1HB SER 27 -7.603 0.246 3.327
181 HB3 SER 27 2HB SER 27 -6.553 -0.651 2.231
182 HG SER 27 HG SER 27 -5.713 0.968 4.407
183 H LEU 28 H LEU 28 -6.601 0.924 -0.506
184 HA LEU 28 HA LEU 28 -3.740 0.458 -0.802
185 HB2 LEU 28 1HB LEU 28 -5.148 -1.193 -1.788
186 HB3 LEU 28 2HB LEU 28 -6.091 0.034 -2.632
187 HG LEU 28 HG LEU 28 -4.070 0.545 -4.003
188 HD11 LEU 28 1HD1 LEU 28 -2.954 -1.574 -2.259
189 HD12 LEU 28 2HD1 LEU 28 -2.180 -0.150 -2.954
190 HD13 LEU 28 3HD1 LEU 28 -2.470 -1.573 -3.955
191 HD21 LEU 28 3HD2 LEU 28 -5.965 -1.164 -4.526
192 HD22 LEU 28 1HD2 LEU 28 -4.691 -2.362 -4.297
193 HD23 LEU 28 2HD2 LEU 28 -4.519 -1.118 -5.536
194 H ILE 29 H ILE 29 -6.170 2.164 -2.782
195 HA ILE 29 HA ILE 29 -4.506 3.687 -4.319
196 HB ILE 29 HB ILE 29 -7.047 3.587 -4.400
197 HG12 ILE 29 1HG1 ILE 29 -5.853 6.353 -4.642
198 HG13 ILE 29 2HG1 ILE 29 -5.566 5.065 -5.807
199 HG21 ILE 29 1HG2 ILE 29 -6.943 4.613 -1.906
200 HG22 ILE 29 2HG2 ILE 29 -7.196 6.083 -2.847
201 HG23 ILE 29 3HG2 ILE 29 -8.343 4.749 -2.969
202 HD11 ILE 29 3HD1 ILE 29 -8.383 5.680 -5.181
203 HD12 ILE 29 1HD1 ILE 29 -7.481 6.891 -6.092
204 HD13 ILE 29 2HD1 ILE 29 -7.623 5.246 -6.713
205 H GLU 30 H GLU 30 -5.305 4.148 -0.955
206 HA GLU 30 HA GLU 30 -4.157 6.795 -0.827
207 HB2 GLU 30 1HB GLU 30 -5.178 4.902 1.291
208 HB3 GLU 30 2HB GLU 30 -4.498 6.481 1.658
209 HG2 GLU 30 1HG GLU 30 -6.814 6.133 -0.216
210 HG3 GLU 30 2HG GLU 30 -7.023 6.306 1.526
211 H HIS 31 H HIS 31 -3.273 3.536 0.260
212 HA HIS 31 HA HIS 31 -0.907 4.156 1.585
213 HB2 HIS 31 1HB HIS 31 -1.544 1.962 1.909
214 HB3 HIS 31 2HB HIS 31 -1.959 1.720 0.215
215 HD1 HIS 31 HD1 HIS 31 1.231 2.337 2.209
216 HD2 HIS 31 HD2 HIS 31 -0.160 0.155 -1.041
217 HE1 HIS 31 HE1 HIS 31 3.191 0.966 1.432
218 H GLN 32 H GLN 32 -1.436 3.404 -1.843
219 HA GLN 32 HA GLN 32 1.102 3.286 -2.810
220 HB2 GLN 32 1HB GLN 32 -1.316 4.631 -4.012
221 HB3 GLN 32 2HB GLN 32 0.188 4.403 -4.895
222 HG2 GLN 32 1HG GLN 32 -0.008 2.011 -4.702
223 HG3 GLN 32 2HG GLN 32 -1.440 2.179 -3.688
224 HE21 GLN 32 1HE2 GLN 32 -0.151 2.738 -6.909
225 HE22 GLN 32 2HE2 GLN 32 -1.671 2.685 -7.729
226 H VAL 33 H VAL 33 -0.703 6.223 -2.012
227 HA VAL 33 HA VAL 33 0.942 8.184 -2.976
228 HB VAL 33 HB VAL 33 -0.444 8.189 -0.290
229 HG11 VAL 33 1HG1 VAL 33 -0.402 10.645 -0.530
230 HG12 VAL 33 2HG1 VAL 33 1.214 9.948 -0.398
231 HG13 VAL 33 3HG1 VAL 33 0.602 10.466 -1.969
232 HG21 VAL 33 3HG2 VAL 33 -1.639 9.690 -2.489
233 HG22 VAL 33 1HG2 VAL 33 -1.577 7.951 -2.778
234 HG23 VAL 33 2HG2 VAL 33 -2.382 8.578 -1.340
235 H LEU 34 H LEU 34 1.248 6.579 0.190
236 HA LEU 34 HA LEU 34 3.380 7.858 1.271
237 HB2 LEU 34 1HB LEU 34 2.632 4.959 1.258
238 HB3 LEU 34 2HB LEU 34 4.079 5.507 2.102
239 HG LEU 34 HG LEU 34 1.303 6.536 2.675
240 HD11 LEU 34 1HD1 LEU 34 2.866 4.278 3.886
241 HD12 LEU 34 2HD1 LEU 34 1.207 4.278 3.289
242 HD13 LEU 34 3HD1 LEU 34 1.607 5.132 4.779
243 HD21 LEU 34 3HD2 LEU 34 3.050 6.778 4.867
244 HD22 LEU 34 1HD2 LEU 34 2.367 8.067 3.876
245 HD23 LEU 34 2HD2 LEU 34 3.929 7.364 3.455
246 H HIS 35 H HIS 35 3.660 5.059 -0.924
247 HA HIS 35 HA HIS 35 6.428 5.033 -1.148
248 HB2 HIS 35 1HB HIS 35 4.247 4.186 -3.045
249 HB3 HIS 35 2HB HIS 35 5.950 3.985 -3.447
250 HD1 HIS 35 HD1 HIS 35 7.151 2.882 -0.953
251 HD2 HIS 35 HD2 HIS 35 3.384 1.745 -2.285
252 HE1 HIS 35 HE1 HIS 35 6.712 0.643 0.103
253 H MET 36 H MET 36 4.064 6.650 -3.268
254 HA MET 36 HA MET 36 5.847 7.810 -5.048
255 HB2 MET 36 1HB MET 36 3.518 7.877 -5.543
256 HB3 MET 36 2HB MET 36 3.156 8.739 -4.054
257 HG2 MET 36 1HG MET 36 3.015 10.219 -5.962
258 HG3 MET 36 2HG MET 36 4.331 10.701 -4.894
259 HE1 MET 36 3HE MET 36 5.492 12.178 -7.448
260 HE2 MET 36 1HE MET 36 4.885 11.306 -8.856
261 HE3 MET 36 2HE MET 36 3.785 11.742 -7.548
262 H GLY 37 H GLY 37 7.600 8.936 -4.473
263 HA2 GLY 37 1HA GLY 37 7.493 10.729 -2.172
264 HA3 GLY 37 2HA GLY 37 8.934 10.264 -3.063
265 H GLN 38 H GLN 38 9.163 12.711 -2.687
266 HA GLN 38 HA GLN 38 7.716 14.279 -4.683
267 HB2 GLN 38 1HB GLN 38 9.349 14.928 -2.272
268 HB3 GLN 38 2HB GLN 38 9.233 16.130 -3.551
269 HG2 GLN 38 1HG GLN 38 7.575 16.422 -1.737
270 HG3 GLN 38 2HG GLN 38 6.860 16.232 -3.337
271 HE21 GLN 38 1HE2 GLN 38 5.954 14.168 -3.884
272 HE22 GLN 38 2HE2 GLN 38 5.328 13.144 -2.641
273 H LYS 39 H LYS 39 8.708 13.376 -6.543
274 HA LYS 39 HA LYS 39 11.528 14.144 -6.914
275 HB2 LYS 39 1HB LYS 39 10.937 11.689 -7.080
276 HB3 LYS 39 2HB LYS 39 10.004 12.089 -8.517
277 HG2 LYS 39 1HG LYS 39 12.847 12.948 -8.393
278 HG3 LYS 39 2HG LYS 39 12.486 11.244 -8.681
279 HD2 LYS 39 1HD LYS 39 11.184 13.429 -10.279
280 HD3 LYS 39 2HD LYS 39 12.757 12.765 -10.724
281 HE2 LYS 39 1HE LYS 39 11.630 10.481 -10.630
282 HE3 LYS 39 2HE LYS 39 10.103 11.360 -10.587
283 HZ1 LYS 39 3HZ LYS 39 12.078 11.186 -12.763
284 HZ2 LYS 39 1HZ LYS 39 11.053 12.528 -12.665
285 HZ3 LYS 39 2HZ LYS 39 10.400 10.976 -12.823
286 H ASN 40 H ASN 40 11.856 15.836 -8.186
287 HA ASN 40 HA ASN 40 9.807 17.109 -9.643
288 HB2 ASN 40 1HB ASN 40 11.389 18.723 -10.194
289 HB3 ASN 40 2HB ASN 40 12.052 18.052 -8.707
290 HD21 ASN 40 1HD2 ASN 40 12.819 19.018 -11.723
291 HD22 ASN 40 2HD2 ASN 40 14.248 18.083 -11.985
292 H SER 41 H SER 41 9.005 16.704 -11.591
293 HA SER 41 HA SER 41 10.438 14.827 -13.332
294 HB2 SER 41 1HB SER 41 8.257 14.528 -14.464
295 HB3 SER 41 2HB SER 41 8.160 14.171 -12.740
296 HG SER 41 HG SER 41 6.448 15.462 -13.120
297 H GLY 42 H GLY 42 9.930 15.227 -15.759
298 HA2 GLY 42 1HA GLY 42 11.209 17.603 -16.527
299 HA3 GLY 42 2HA GLY 42 10.335 16.526 -17.606
300 HA PRO 43 HA PRO 43 8.125 20.687 -16.925
301 HB2 PRO 43 1HB PRO 43 8.713 21.838 -19.313
302 HB3 PRO 43 2HB PRO 43 9.718 22.044 -17.874
303 HG2 PRO 43 1HG PRO 43 10.096 20.197 -20.199
304 HG3 PRO 43 2HG PRO 43 11.297 21.189 -19.352
305 HD2 PRO 43 1HD PRO 43 11.010 18.537 -18.888
306 HD3 PRO 43 2HD PRO 43 11.511 19.678 -17.624
307 H SER 44 H SER 44 6.065 20.947 -17.633
308 HA SER 44 HA SER 44 5.215 19.317 -19.938
309 HB2 SER 44 1HB SER 44 3.966 19.705 -17.242
310 HB3 SER 44 2HB SER 44 2.935 19.375 -18.633
311 HG SER 44 HG SER 44 4.555 17.693 -17.241
312 H SER 45 H SER 45 3.399 20.120 -21.150
313 HA SER 45 HA SER 45 3.404 23.037 -21.276
314 HB2 SER 45 1HB SER 45 3.817 21.744 -23.348
315 HB3 SER 45 2HB SER 45 2.214 21.023 -23.200
316 HG SER 45 HG SER 45 1.768 22.701 -24.440
317 H GLY 46 H GLY 46 1.986 23.906 -19.877
318 HA2 GLY 46 1HA GLY 46 -0.692 24.074 -20.295
319 HA3 GLY 46 2HA GLY 46 -0.538 22.645 -19.284
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -16.237 -32.326 -7.379
2 HA2 GLY 1 1HA GLY 1 -16.646 -30.321 -8.590
3 HA3 GLY 1 2HA GLY 1 -18.103 -30.077 -7.639
4 H SER 2 H SER 2 -14.573 -29.998 -7.506
5 HA SER 2 HA SER 2 -14.627 -27.626 -5.896
6 HB2 SER 2 1HB SER 2 -14.958 -29.551 -4.248
7 HB3 SER 2 2HB SER 2 -13.306 -30.030 -4.636
8 HG SER 2 HG SER 2 -13.883 -28.413 -2.799
9 H SER 3 H SER 3 -12.802 -26.451 -6.159
10 HA SER 3 HA SER 3 -11.018 -27.056 -8.212
11 HB2 SER 3 1HB SER 3 -10.990 -25.052 -5.977
12 HB3 SER 3 2HB SER 3 -9.589 -25.212 -7.035
13 HG SER 3 HG SER 3 -11.293 -25.023 -8.777
14 H GLY 4 H GLY 4 -10.302 -26.963 -4.712
15 HA2 GLY 4 1HA GLY 4 -9.115 -29.319 -4.268
16 HA3 GLY 4 2HA GLY 4 -7.858 -28.472 -5.158
17 H SER 5 H SER 5 -6.419 -28.432 -3.441
18 HA SER 5 HA SER 5 -7.159 -26.586 -1.270
19 HB2 SER 5 1HB SER 5 -6.959 -29.111 -0.666
20 HB3 SER 5 2HB SER 5 -5.223 -28.839 -0.816
21 HG SER 5 HG SER 5 -5.708 -26.970 0.673
22 H SER 6 H SER 6 -6.164 -24.847 -2.289
23 HA SER 6 HA SER 6 -3.227 -25.029 -2.478
24 HB2 SER 6 1HB SER 6 -5.197 -23.570 -4.229
25 HB3 SER 6 2HB SER 6 -3.499 -23.101 -4.164
26 HG SER 6 HG SER 6 -3.530 -24.560 -5.755
27 H GLY 7 H GLY 7 -5.825 -22.592 -2.189
28 HA2 GLY 7 1HA GLY 7 -6.093 -20.939 -0.585
29 HA3 GLY 7 2HA GLY 7 -4.650 -21.533 0.223
30 H SER 8 H SER 8 -5.877 -19.435 -2.295
31 HA SER 8 HA SER 8 -3.310 -17.995 -2.244
32 HB2 SER 8 1HB SER 8 -3.373 -17.626 -4.596
33 HB3 SER 8 2HB SER 8 -3.686 -19.346 -4.368
34 HG SER 8 HG SER 8 -5.670 -17.351 -4.753
35 H ARG 9 H ARG 9 -3.455 -15.719 -2.725
36 HA ARG 9 HA ARG 9 -5.969 -14.585 -1.764
37 HB2 ARG 9 1HB ARG 9 -3.159 -13.547 -1.993
38 HB3 ARG 9 2HB ARG 9 -4.507 -12.444 -1.756
39 HG2 ARG 9 1HG ARG 9 -3.620 -12.876 0.381
40 HG3 ARG 9 2HG ARG 9 -5.114 -13.809 0.274
41 HD2 ARG 9 1HD ARG 9 -3.428 -15.187 1.274
42 HD3 ARG 9 2HD ARG 9 -3.758 -15.796 -0.347
43 HE ARG 9 HE ARG 9 -1.552 -13.955 -0.222
44 HH11 ARG 9 1HH1 ARG 9 -2.535 -17.281 0.085
45 HH12 ARG 9 2HH1 ARG 9 -0.962 -17.915 -0.268
46 HH21 ARG 9 1HH2 ARG 9 0.524 -14.778 -0.688
47 HH22 ARG 9 2HH2 ARG 9 0.778 -16.490 -0.706
48 H GLU 10 H GLU 10 -7.296 -14.642 -3.560
49 HA GLU 10 HA GLU 10 -6.387 -13.166 -5.934
50 HB2 GLU 10 1HB GLU 10 -8.237 -14.259 -7.120
51 HB3 GLU 10 2HB GLU 10 -7.158 -15.436 -6.384
52 HG2 GLU 10 1HG GLU 10 -9.546 -14.569 -4.849
53 HG3 GLU 10 2HG GLU 10 -9.777 -15.654 -6.219
54 H LYS 11 H LYS 11 -8.571 -12.274 -7.096
55 HA LYS 11 HA LYS 11 -9.836 -10.358 -7.093
56 HB2 LYS 11 1HB LYS 11 -11.873 -10.581 -5.822
57 HB3 LYS 11 2HB LYS 11 -11.409 -12.166 -6.428
58 HG2 LYS 11 1HG LYS 11 -10.637 -12.850 -4.288
59 HG3 LYS 11 2HG LYS 11 -10.779 -11.212 -3.647
60 HD2 LYS 11 1HD LYS 11 -13.188 -12.592 -4.758
61 HD3 LYS 11 2HD LYS 11 -12.626 -12.979 -3.130
62 HE2 LYS 11 1HE LYS 11 -12.719 -10.554 -2.588
63 HE3 LYS 11 2HE LYS 11 -13.421 -10.265 -4.179
64 HZ1 LYS 11 3HZ LYS 11 -14.674 -12.203 -2.351
65 HZ2 LYS 11 1HZ LYS 11 -15.375 -11.307 -3.603
66 HZ3 LYS 11 2HZ LYS 11 -14.962 -10.548 -2.148
67 H SER 12 H SER 12 -7.406 -10.115 -5.554
68 HA SER 12 HA SER 12 -8.284 -8.090 -3.602
69 HB2 SER 12 1HB SER 12 -5.799 -9.804 -3.384
70 HB3 SER 12 2HB SER 12 -6.371 -8.625 -2.204
71 HG SER 12 HG SER 12 -7.370 -10.282 -1.381
72 H HIS 13 H HIS 13 -6.394 -6.534 -3.102
73 HA HIS 13 HA HIS 13 -5.090 -5.817 -5.646
74 HB2 HIS 13 1HB HIS 13 -6.410 -4.113 -3.554
75 HB3 HIS 13 2HB HIS 13 -5.165 -3.436 -4.600
76 HD1 HIS 13 HD1 HIS 13 -5.839 -4.418 -7.310
77 HD2 HIS 13 HD2 HIS 13 -8.778 -3.336 -4.580
78 HE1 HIS 13 HE1 HIS 13 -7.875 -3.890 -8.688
79 H GLN 14 H GLN 14 -3.221 -7.018 -5.061
80 HA GLN 14 HA GLN 14 -1.781 -6.349 -2.655
81 HB2 GLN 14 1HB GLN 14 -1.753 -8.629 -3.666
82 HB3 GLN 14 2HB GLN 14 -0.858 -7.974 -5.031
83 HG2 GLN 14 1HG GLN 14 1.008 -7.441 -3.639
84 HG3 GLN 14 2HG GLN 14 0.104 -7.857 -2.185
85 HE21 GLN 14 1HE2 GLN 14 2.624 -8.893 -3.497
86 HE22 GLN 14 2HE2 GLN 14 2.401 -10.606 -3.541
87 H CYS 15 H CYS 15 0.304 -5.394 -2.576
88 HA CYS 15 HA CYS 15 0.686 -3.363 -4.645
89 HB2 CYS 15 1HB CYS 15 0.647 -2.390 -2.497
90 HB3 CYS 15 2HB CYS 15 1.665 -3.654 -1.813
91 H ARG 16 H ARG 16 2.329 -3.393 -6.046
92 HA ARG 16 HA ARG 16 4.294 -5.555 -5.803
93 HB2 ARG 16 1HB ARG 16 3.114 -4.043 -8.081
94 HB3 ARG 16 2HB ARG 16 4.759 -4.637 -8.263
95 HG2 ARG 16 1HG ARG 16 2.551 -6.454 -7.378
96 HG3 ARG 16 2HG ARG 16 2.827 -6.106 -9.086
97 HD2 ARG 16 1HD ARG 16 4.070 -8.034 -8.743
98 HD3 ARG 16 2HD ARG 16 5.274 -6.757 -8.585
99 HE ARG 16 HE ARG 16 4.088 -7.507 -6.085
100 HH11 ARG 16 1HH1 ARG 16 6.564 -8.281 -8.407
101 HH12 ARG 16 2HH1 ARG 16 7.580 -9.079 -7.253
102 HH21 ARG 16 1HH2 ARG 16 5.417 -8.557 -4.556
103 HH22 ARG 16 2HH2 ARG 16 6.926 -9.237 -5.063
104 H GLU 17 H GLU 17 4.697 -3.401 -4.103
105 HA GLU 17 HA GLU 17 7.145 -2.239 -5.247
106 HB2 GLU 17 1HB GLU 17 5.338 -0.539 -5.180
107 HB3 GLU 17 2HB GLU 17 5.203 -0.784 -3.444
108 HG2 GLU 17 1HG GLU 17 7.241 0.222 -3.010
109 HG3 GLU 17 2HG GLU 17 7.819 -0.010 -4.659
110 H CYS 18 H CYS 18 5.353 -2.893 -2.247
111 HA CYS 18 HA CYS 18 7.935 -3.451 -0.938
112 HB2 CYS 18 1HB CYS 18 6.885 -2.728 1.189
113 HB3 CYS 18 2HB CYS 18 6.979 -1.430 0.004
114 H GLY 19 H GLY 19 4.466 -4.217 -0.978
115 HA2 GLY 19 1HA GLY 19 3.983 -6.653 -1.195
116 HA3 GLY 19 2HA GLY 19 5.155 -6.885 0.094
117 H GLU 20 H GLU 20 1.947 -5.733 -0.703
118 HA GLU 20 HA GLU 20 0.983 -6.435 1.901
119 HB2 GLU 20 1HB GLU 20 1.929 -4.219 2.388
120 HB3 GLU 20 2HB GLU 20 0.953 -3.519 1.105
121 HG2 GLU 20 1HG GLU 20 -0.200 -3.014 3.062
122 HG3 GLU 20 2HG GLU 20 -1.065 -4.393 2.386
123 H ILE 21 H ILE 21 -1.305 -6.447 2.030
124 HA ILE 21 HA ILE 21 -2.722 -5.885 -0.482
125 HB ILE 21 HB ILE 21 -3.040 -8.407 1.149
126 HG12 ILE 21 1HG1 ILE 21 -2.119 -8.171 -1.713
127 HG13 ILE 21 2HG1 ILE 21 -0.990 -8.174 -0.363
128 HG21 ILE 21 1HG2 ILE 21 -4.420 -7.570 -1.398
129 HG22 ILE 21 2HG2 ILE 21 -4.644 -9.091 -0.536
130 HG23 ILE 21 3HG2 ILE 21 -5.152 -7.575 0.206
131 HD11 ILE 21 3HD1 ILE 21 -2.967 -10.373 -0.905
132 HD12 ILE 21 1HD1 ILE 21 -1.295 -10.378 -1.464
133 HD13 ILE 21 2HD1 ILE 21 -1.646 -10.379 0.264
134 H PHE 22 H PHE 22 -4.352 -4.549 -0.114
135 HA PHE 22 HA PHE 22 -5.559 -4.492 2.567
136 HB2 PHE 22 1HB PHE 22 -5.604 -2.374 0.407
137 HB3 PHE 22 2HB PHE 22 -6.295 -2.217 2.018
138 HD1 PHE 22 HD1 PHE 22 -3.192 -2.368 0.076
139 HD2 PHE 22 HD2 PHE 22 -4.906 -1.820 3.933
140 HE1 PHE 22 HE1 PHE 22 -1.040 -1.513 0.908
141 HE2 PHE 22 HE2 PHE 22 -2.757 -0.964 4.771
142 HZ PHE 22 HZ PHE 22 -0.820 -0.808 3.257
143 H PHE 23 H PHE 23 -7.757 -4.637 2.842
144 HA PHE 23 HA PHE 23 -9.205 -6.081 0.868
145 HB2 PHE 23 1HB PHE 23 -10.322 -4.726 3.329
146 HB3 PHE 23 2HB PHE 23 -11.034 -6.069 2.440
147 HD1 PHE 23 HD2 PHE 23 -9.325 -8.141 2.192
148 HD2 PHE 23 HD1 PHE 23 -9.303 -5.240 5.307
149 HE1 PHE 23 HE2 PHE 23 -8.157 -9.732 3.660
150 HE2 PHE 23 HE1 PHE 23 -8.134 -6.826 6.780
151 HZ PHE 23 HZ PHE 23 -7.560 -9.076 5.958
152 H GLN 24 H GLN 24 -9.779 -2.860 2.293
153 HA GLN 24 HA GLN 24 -11.646 -2.188 0.197
154 HB2 GLN 24 1HB GLN 24 -10.669 -0.880 2.692
155 HB3 GLN 24 2HB GLN 24 -11.377 0.139 1.445
156 HG2 GLN 24 1HG GLN 24 -12.692 -2.180 2.841
157 HG3 GLN 24 2HG GLN 24 -13.058 -0.468 3.049
158 HE21 GLN 24 1HE2 GLN 24 -14.081 -3.222 1.629
159 HE22 GLN 24 2HE2 GLN 24 -14.997 -2.563 0.321
160 H TYR 25 H TYR 25 -11.238 -1.085 -1.615
161 HA TYR 25 HA TYR 25 -8.672 -0.708 -2.598
162 HB2 TYR 25 1HB TYR 25 -10.677 -0.810 -4.021
163 HB3 TYR 25 2HB TYR 25 -11.191 0.758 -3.411
164 HD1 TYR 25 HD2 TYR 25 -9.476 2.713 -3.749
165 HD2 TYR 25 HD1 TYR 25 -9.446 -0.910 -5.981
166 HE1 TYR 25 HE2 TYR 25 -8.202 3.829 -5.533
167 HE2 TYR 25 HE1 TYR 25 -8.170 0.196 -7.770
168 HH TYR 25 HH TYR 25 -6.629 3.138 -7.379
169 H VAL 26 H VAL 26 -10.861 1.661 -1.115
170 HA VAL 26 HA VAL 26 -9.440 3.980 -1.427
171 HB VAL 26 HB VAL 26 -10.957 3.096 1.031
172 HG11 VAL 26 1HG1 VAL 26 -10.278 4.967 2.015
173 HG12 VAL 26 2HG1 VAL 26 -9.354 5.423 0.582
174 HG13 VAL 26 3HG1 VAL 26 -11.048 5.893 0.727
175 HG21 VAL 26 3HG2 VAL 26 -12.306 3.093 -0.997
176 HG22 VAL 26 1HG2 VAL 26 -12.790 4.412 0.069
177 HG23 VAL 26 2HG2 VAL 26 -11.801 4.744 -1.353
178 H SER 27 H SER 27 -8.745 1.306 0.711
179 HA SER 27 HA SER 27 -6.824 2.674 2.316
180 HB2 SER 27 1HB SER 27 -8.060 0.557 2.958
181 HB3 SER 27 2HB SER 27 -6.989 -0.309 1.856
182 HG SER 27 HG SER 27 -5.324 0.987 3.239
183 H LEU 28 H LEU 28 -6.691 0.798 -0.647
184 HA LEU 28 HA LEU 28 -3.884 0.489 -0.761
185 HB2 LEU 28 1HB LEU 28 -5.435 -0.855 -2.089
186 HB3 LEU 28 2HB LEU 28 -5.903 0.580 -2.999
187 HG LEU 28 HG LEU 28 -3.444 0.704 -3.707
188 HD11 LEU 28 1HD1 LEU 28 -2.755 -0.980 -1.947
189 HD12 LEU 28 2HD1 LEU 28 -2.124 -1.242 -3.573
190 HD13 LEU 28 3HD1 LEU 28 -3.474 -2.212 -2.985
191 HD21 LEU 28 3HD2 LEU 28 -5.011 0.157 -5.355
192 HD22 LEU 28 1HD2 LEU 28 -5.389 -1.396 -4.609
193 HD23 LEU 28 2HD2 LEU 28 -3.838 -1.160 -5.417
194 H ILE 29 H ILE 29 -5.990 2.714 -2.594
195 HA ILE 29 HA ILE 29 -4.098 4.231 -3.851
196 HB ILE 29 HB ILE 29 -6.613 4.465 -4.028
197 HG12 ILE 29 1HG1 ILE 29 -5.170 7.099 -3.717
198 HG13 ILE 29 2HG1 ILE 29 -4.870 6.001 -5.060
199 HG21 ILE 29 1HG2 ILE 29 -7.555 6.313 -2.575
200 HG22 ILE 29 2HG2 ILE 29 -7.277 4.762 -1.784
201 HG23 ILE 29 3HG2 ILE 29 -6.142 6.090 -1.543
202 HD11 ILE 29 3HD1 ILE 29 -6.420 7.782 -5.662
203 HD12 ILE 29 1HD1 ILE 29 -7.185 6.196 -5.757
204 HD13 ILE 29 2HD1 ILE 29 -7.520 7.257 -4.388
205 H GLU 30 H GLU 30 -5.007 4.319 -0.476
206 HA GLU 30 HA GLU 30 -3.623 6.761 0.109
207 HB2 GLU 30 1HB GLU 30 -4.968 4.634 1.725
208 HB3 GLU 30 2HB GLU 30 -3.885 5.760 2.531
209 HG2 GLU 30 1HG GLU 30 -5.283 7.588 1.377
210 HG3 GLU 30 2HG GLU 30 -6.471 6.308 1.135
211 H HIS 31 H HIS 31 -2.974 3.325 0.784
212 HA HIS 31 HA HIS 31 -0.561 3.542 2.081
213 HB2 HIS 31 1HB HIS 31 -1.331 1.369 2.006
214 HB3 HIS 31 2HB HIS 31 -1.757 1.465 0.300
215 HD1 HIS 31 HD1 HIS 31 1.286 1.106 2.521
216 HD2 HIS 31 HD2 HIS 31 0.122 0.459 -1.414
217 HE1 HIS 31 HE1 HIS 31 3.204 -0.113 1.444
218 H GLN 32 H GLN 32 -1.118 3.427 -1.425
219 HA GLN 32 HA GLN 32 1.449 3.376 -2.370
220 HB2 GLN 32 1HB GLN 32 -0.938 4.903 -3.408
221 HB3 GLN 32 2HB GLN 32 0.575 4.772 -4.295
222 HG2 GLN 32 1HG GLN 32 -0.721 2.272 -3.356
223 HG3 GLN 32 2HG GLN 32 -1.437 3.127 -4.721
224 HE21 GLN 32 1HE2 GLN 32 0.218 0.562 -4.259
225 HE22 GLN 32 2HE2 GLN 32 1.386 0.620 -5.530
226 H VAL 33 H VAL 33 -0.269 6.088 -0.955
227 HA VAL 33 HA VAL 33 1.451 8.164 -1.692
228 HB VAL 33 HB VAL 33 -0.166 7.874 0.844
229 HG11 VAL 33 1HG1 VAL 33 1.445 9.561 1.245
230 HG12 VAL 33 2HG1 VAL 33 1.241 10.241 -0.371
231 HG13 VAL 33 3HG1 VAL 33 -0.049 10.396 0.822
232 HG21 VAL 33 3HG2 VAL 33 -1.811 9.268 -0.331
233 HG22 VAL 33 1HG2 VAL 33 -0.802 9.228 -1.777
234 HG23 VAL 33 2HG2 VAL 33 -1.530 7.741 -1.168
235 H LEU 34 H LEU 34 1.563 5.956 1.074
236 HA LEU 34 HA LEU 34 3.601 7.084 2.545
237 HB2 LEU 34 1HB LEU 34 2.904 4.202 2.052
238 HB3 LEU 34 2HB LEU 34 4.156 4.694 3.191
239 HG LEU 34 HG LEU 34 1.338 5.700 3.437
240 HD11 LEU 34 1HD1 LEU 34 0.903 3.429 3.525
241 HD12 LEU 34 2HD1 LEU 34 1.202 3.828 5.216
242 HD13 LEU 34 3HD1 LEU 34 2.463 3.053 4.258
243 HD21 LEU 34 3HD2 LEU 34 3.548 6.509 4.694
244 HD22 LEU 34 1HD2 LEU 34 3.120 5.152 5.736
245 HD23 LEU 34 2HD2 LEU 34 1.968 6.462 5.477
246 H HIS 35 H HIS 35 3.790 5.257 -0.432
247 HA HIS 35 HA HIS 35 6.579 4.769 -0.390
248 HB2 HIS 35 1HB HIS 35 4.559 4.878 -2.627
249 HB3 HIS 35 2HB HIS 35 6.256 4.499 -2.905
250 HD1 HIS 35 HD1 HIS 35 6.800 2.598 -0.579
251 HD2 HIS 35 HD2 HIS 35 3.370 2.455 -2.919
252 HE1 HIS 35 HE1 HIS 35 5.928 0.250 -0.352
253 H MET 36 H MET 36 4.922 6.916 -2.693
254 HA MET 36 HA MET 36 7.073 8.393 -3.495
255 HB2 MET 36 1HB MET 36 5.506 10.167 -4.104
256 HB3 MET 36 2HB MET 36 4.845 8.587 -4.500
257 HG2 MET 36 1HG MET 36 3.429 8.646 -2.546
258 HG3 MET 36 2HG MET 36 4.145 10.175 -2.043
259 HE1 MET 36 3HE MET 36 3.303 12.011 -2.180
260 HE2 MET 36 1HE MET 36 2.998 12.813 -3.722
261 HE3 MET 36 2HE MET 36 1.646 12.297 -2.714
262 H GLY 37 H GLY 37 5.145 8.833 -0.576
263 HA2 GLY 37 1HA GLY 37 5.777 11.254 0.383
264 HA3 GLY 37 2HA GLY 37 5.805 9.832 1.415
265 H GLN 38 H GLN 38 8.030 8.521 0.318
266 HA GLN 38 HA GLN 38 10.122 9.571 1.767
267 HB2 GLN 38 1HB GLN 38 11.555 8.036 0.628
268 HB3 GLN 38 2HB GLN 38 9.983 7.265 0.785
269 HG2 GLN 38 1HG GLN 38 10.624 6.768 -1.384
270 HG3 GLN 38 2HG GLN 38 9.534 8.140 -1.579
271 HE21 GLN 38 1HE2 GLN 38 10.325 8.991 -3.419
272 HE22 GLN 38 2HE2 GLN 38 11.928 9.610 -3.599
273 H LYS 39 H LYS 39 11.887 10.862 1.334
274 HA LYS 39 HA LYS 39 11.865 12.307 -1.231
275 HB2 LYS 39 1HB LYS 39 10.972 13.520 0.938
276 HB3 LYS 39 2HB LYS 39 12.687 13.716 1.273
277 HG2 LYS 39 1HG LYS 39 12.814 14.668 -1.122
278 HG3 LYS 39 2HG LYS 39 11.064 14.844 -0.970
279 HD2 LYS 39 1HD LYS 39 12.807 15.865 1.222
280 HD3 LYS 39 2HD LYS 39 12.694 16.792 -0.276
281 HE2 LYS 39 1HE LYS 39 10.964 17.725 0.886
282 HE3 LYS 39 2HE LYS 39 10.108 16.404 0.093
283 HZ1 LYS 39 3HZ LYS 39 11.237 16.231 2.832
284 HZ2 LYS 39 1HZ LYS 39 10.228 15.107 2.070
285 HZ3 LYS 39 2HZ LYS 39 9.627 16.629 2.499
286 H ASN 40 H ASN 40 13.837 12.774 -2.123
287 HA ASN 40 HA ASN 40 16.204 11.817 -0.650
288 HB2 ASN 40 1HB ASN 40 15.383 10.373 -2.611
289 HB3 ASN 40 2HB ASN 40 15.942 11.682 -3.649
290 HD21 ASN 40 1HD2 ASN 40 16.864 9.113 -1.523
291 HD22 ASN 40 2HD2 ASN 40 18.552 9.133 -1.893
292 H SER 41 H SER 41 18.219 12.846 -1.193
293 HA SER 41 HA SER 41 19.567 14.630 -1.625
294 HB2 SER 41 1HB SER 41 18.529 14.383 -3.939
295 HB3 SER 41 2HB SER 41 17.424 15.678 -3.477
296 HG SER 41 HG SER 41 19.421 16.892 -2.979
297 H GLY 42 H GLY 42 17.996 14.734 0.634
298 HA2 GLY 42 1HA GLY 42 18.069 17.494 1.257
299 HA3 GLY 42 2HA GLY 42 16.406 16.994 0.986
300 HA PRO 43 HA PRO 43 17.872 14.361 4.751
301 HB2 PRO 43 1HB PRO 43 20.383 14.806 5.683
302 HB3 PRO 43 2HB PRO 43 20.020 13.607 4.437
303 HG2 PRO 43 1HG PRO 43 21.092 16.385 4.137
304 HG3 PRO 43 2HG PRO 43 21.592 14.898 3.311
305 HD2 PRO 43 1HD PRO 43 19.973 16.734 2.152
306 HD3 PRO 43 2HD PRO 43 19.847 14.997 1.807
307 H SER 44 H SER 44 18.049 14.836 7.059
308 HA SER 44 HA SER 44 17.687 17.708 7.587
309 HB2 SER 44 1HB SER 44 16.193 17.153 9.329
310 HB3 SER 44 2HB SER 44 15.788 16.031 8.030
311 HG SER 44 HG SER 44 17.274 15.528 10.385
312 H SER 45 H SER 45 19.270 18.696 8.630
313 HA SER 45 HA SER 45 21.602 17.620 9.539
314 HB2 SER 45 1HB SER 45 20.830 20.110 9.344
315 HB3 SER 45 2HB SER 45 20.407 19.925 11.046
316 HG SER 45 HG SER 45 22.767 20.460 10.063
317 H GLY 46 H GLY 46 21.563 15.791 10.755
318 HA2 GLY 46 1HA GLY 46 21.083 16.065 13.557
319 HA3 GLY 46 2HA GLY 46 19.838 15.095 12.786
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -15.732 -39.233 -11.063
2 HA2 GLY 1 1HA GLY 1 -17.351 -36.849 -10.471
3 HA3 GLY 1 2HA GLY 1 -15.894 -37.331 -9.616
4 H SER 2 H SER 2 -17.200 -35.505 -12.198
5 HA SER 2 HA SER 2 -15.021 -35.150 -13.877
6 HB2 SER 2 1HB SER 2 -16.045 -32.901 -14.379
7 HB3 SER 2 2HB SER 2 -17.162 -34.260 -14.505
8 HG SER 2 HG SER 2 -17.487 -33.598 -12.099
9 H SER 3 H SER 3 -13.121 -34.141 -13.720
10 HA SER 3 HA SER 3 -12.713 -32.078 -11.702
11 HB2 SER 3 1HB SER 3 -11.366 -34.753 -11.707
12 HB3 SER 3 2HB SER 3 -10.466 -33.338 -11.161
13 HG SER 3 HG SER 3 -12.472 -32.990 -9.810
14 H GLY 4 H GLY 4 -10.497 -31.078 -11.931
15 HA2 GLY 4 1HA GLY 4 -8.636 -31.268 -13.809
16 HA3 GLY 4 2HA GLY 4 -9.985 -30.693 -14.779
17 H SER 5 H SER 5 -11.088 -28.687 -13.865
18 HA SER 5 HA SER 5 -8.979 -26.773 -13.185
19 HB2 SER 5 1HB SER 5 -11.733 -26.457 -14.378
20 HB3 SER 5 2HB SER 5 -10.786 -25.079 -13.818
21 HG SER 5 HG SER 5 -9.759 -25.177 -15.635
22 H SER 6 H SER 6 -8.774 -26.996 -10.981
23 HA SER 6 HA SER 6 -11.104 -26.125 -9.406
24 HB2 SER 6 1HB SER 6 -9.090 -28.257 -8.654
25 HB3 SER 6 2HB SER 6 -10.316 -27.607 -7.565
26 HG SER 6 HG SER 6 -11.738 -28.848 -8.478
27 H GLY 7 H GLY 7 -10.669 -24.160 -8.655
28 HA2 GLY 7 1HA GLY 7 -8.279 -23.708 -7.098
29 HA3 GLY 7 2HA GLY 7 -8.337 -22.784 -8.592
30 H SER 8 H SER 8 -8.248 -21.612 -6.045
31 HA SER 8 HA SER 8 -10.859 -20.261 -6.016
32 HB2 SER 8 1HB SER 8 -9.284 -21.239 -3.630
33 HB3 SER 8 2HB SER 8 -10.575 -20.045 -3.504
34 HG SER 8 HG SER 8 -10.753 -22.740 -4.346
35 H ARG 9 H ARG 9 -10.593 -18.194 -6.495
36 HA ARG 9 HA ARG 9 -8.123 -16.848 -5.612
37 HB2 ARG 9 1HB ARG 9 -8.099 -15.547 -7.610
38 HB3 ARG 9 2HB ARG 9 -8.294 -17.227 -8.093
39 HG2 ARG 9 1HG ARG 9 -10.819 -16.687 -8.111
40 HG3 ARG 9 2HG ARG 9 -10.289 -15.004 -8.153
41 HD2 ARG 9 1HD ARG 9 -9.148 -16.991 -10.075
42 HD3 ARG 9 2HD ARG 9 -10.731 -16.278 -10.378
43 HE ARG 9 HE ARG 9 -8.936 -14.212 -9.813
44 HH11 ARG 9 1HH1 ARG 9 -9.515 -16.617 -12.263
45 HH12 ARG 9 2HH1 ARG 9 -8.833 -15.667 -13.541
46 HH21 ARG 9 1HH2 ARG 9 -8.035 -12.952 -11.488
47 HH22 ARG 9 2HH2 ARG 9 -7.991 -13.583 -13.099
48 H GLU 10 H GLU 10 -8.374 -14.447 -5.427
49 HA GLU 10 HA GLU 10 -11.094 -13.682 -4.612
50 HB2 GLU 10 1HB GLU 10 -8.550 -13.491 -3.040
51 HB3 GLU 10 2HB GLU 10 -9.823 -12.306 -2.786
52 HG2 GLU 10 1HG GLU 10 -11.325 -14.441 -2.541
53 HG3 GLU 10 2HG GLU 10 -9.785 -15.213 -2.166
54 H LYS 11 H LYS 11 -11.154 -11.216 -4.193
55 HA LYS 11 HA LYS 11 -9.791 -9.920 -6.455
56 HB2 LYS 11 1HB LYS 11 -12.450 -9.511 -5.148
57 HB3 LYS 11 2HB LYS 11 -11.678 -8.150 -5.951
58 HG2 LYS 11 1HG LYS 11 -13.112 -9.109 -7.543
59 HG3 LYS 11 2HG LYS 11 -11.486 -9.629 -7.992
60 HD2 LYS 11 1HD LYS 11 -12.703 -11.592 -8.172
61 HD3 LYS 11 2HD LYS 11 -12.030 -11.716 -6.545
62 HE2 LYS 11 1HE LYS 11 -14.249 -12.290 -6.216
63 HE3 LYS 11 2HE LYS 11 -14.235 -10.575 -5.812
64 HZ1 LYS 11 3HZ LYS 11 -15.153 -10.040 -7.923
65 HZ2 LYS 11 1HZ LYS 11 -16.102 -11.277 -7.267
66 HZ3 LYS 11 2HZ LYS 11 -14.980 -11.627 -8.483
67 H SER 12 H SER 12 -7.870 -9.570 -5.200
68 HA SER 12 HA SER 12 -8.144 -7.311 -3.329
69 HB2 SER 12 1HB SER 12 -6.083 -9.519 -3.134
70 HB3 SER 12 2HB SER 12 -6.307 -8.184 -2.005
71 HG SER 12 HG SER 12 -8.604 -9.189 -1.982
72 H HIS 13 H HIS 13 -6.190 -5.959 -3.167
73 HA HIS 13 HA HIS 13 -4.693 -5.911 -5.706
74 HB2 HIS 13 1HB HIS 13 -5.800 -3.625 -4.077
75 HB3 HIS 13 2HB HIS 13 -4.572 -3.399 -5.319
76 HD1 HIS 13 HD1 HIS 13 -5.458 -4.722 -7.714
77 HD2 HIS 13 HD2 HIS 13 -8.234 -3.092 -5.088
78 HE1 HIS 13 HE1 HIS 13 -7.548 -4.382 -9.071
79 H GLN 14 H GLN 14 -2.869 -6.955 -4.979
80 HA GLN 14 HA GLN 14 -1.570 -6.142 -2.533
81 HB2 GLN 14 1HB GLN 14 -1.614 -8.506 -3.543
82 HB3 GLN 14 2HB GLN 14 -0.375 -7.920 -4.645
83 HG2 GLN 14 1HG GLN 14 0.938 -7.248 -2.587
84 HG3 GLN 14 2HG GLN 14 -0.226 -8.196 -1.662
85 HE21 GLN 14 1HE2 GLN 14 2.328 -8.301 -4.026
86 HE22 GLN 14 2HE2 GLN 14 2.635 -9.997 -3.913
87 H CYS 15 H CYS 15 0.247 -4.918 -2.315
88 HA CYS 15 HA CYS 15 0.922 -3.197 -4.535
89 HB2 CYS 15 1HB CYS 15 0.811 -2.009 -2.532
90 HB3 CYS 15 2HB CYS 15 1.626 -3.276 -1.621
91 H ARG 16 H ARG 16 3.116 -2.818 -5.240
92 HA ARG 16 HA ARG 16 4.721 -5.283 -5.170
93 HB2 ARG 16 1HB ARG 16 3.774 -4.252 -7.373
94 HB3 ARG 16 2HB ARG 16 5.097 -3.106 -7.199
95 HG2 ARG 16 1HG ARG 16 5.975 -4.740 -8.586
96 HG3 ARG 16 2HG ARG 16 6.594 -5.185 -6.994
97 HD2 ARG 16 1HD ARG 16 4.686 -6.774 -6.775
98 HD3 ARG 16 2HD ARG 16 4.247 -6.402 -8.442
99 HE ARG 16 HE ARG 16 6.896 -7.163 -8.504
100 HH11 ARG 16 1HH1 ARG 16 3.866 -8.585 -7.546
101 HH12 ARG 16 2HH1 ARG 16 4.358 -10.203 -7.922
102 HH21 ARG 16 1HH2 ARG 16 7.555 -9.289 -9.003
103 HH22 ARG 16 2HH2 ARG 16 6.456 -10.603 -8.750
104 H GLU 17 H GLU 17 4.780 -1.828 -4.653
105 HA GLU 17 HA GLU 17 7.468 -1.269 -4.570
106 HB2 GLU 17 1HB GLU 17 5.349 0.210 -4.080
107 HB3 GLU 17 2HB GLU 17 5.710 -0.188 -2.406
108 HG2 GLU 17 1HG GLU 17 7.520 1.210 -4.359
109 HG3 GLU 17 2HG GLU 17 6.709 1.921 -2.964
110 H CYS 18 H CYS 18 5.481 -2.402 -1.835
111 HA CYS 18 HA CYS 18 7.960 -3.351 -0.555
112 HB2 CYS 18 1HB CYS 18 6.766 -3.084 1.609
113 HB3 CYS 18 2HB CYS 18 6.977 -1.563 0.749
114 H GLY 19 H GLY 19 4.516 -4.019 -1.060
115 HA2 GLY 19 1HA GLY 19 3.836 -6.240 -1.730
116 HA3 GLY 19 2HA GLY 19 5.132 -6.884 -0.733
117 H GLU 20 H GLU 20 1.928 -5.476 -0.728
118 HA GLU 20 HA GLU 20 1.421 -6.756 1.846
119 HB2 GLU 20 1HB GLU 20 2.067 -4.290 2.150
120 HB3 GLU 20 2HB GLU 20 0.526 -3.918 1.389
121 HG2 GLU 20 1HG GLU 20 0.110 -3.812 3.682
122 HG3 GLU 20 2HG GLU 20 -0.537 -5.372 3.176
123 H ILE 21 H ILE 21 -0.758 -7.266 2.220
124 HA ILE 21 HA ILE 21 -2.433 -7.150 -0.196
125 HB ILE 21 HB ILE 21 -2.576 -9.064 2.137
126 HG12 ILE 21 1HG1 ILE 21 -1.858 -9.688 -0.726
127 HG13 ILE 21 2HG1 ILE 21 -0.642 -9.273 0.477
128 HG21 ILE 21 1HG2 ILE 21 -4.717 -9.243 1.491
129 HG22 ILE 21 2HG2 ILE 21 -4.419 -8.456 -0.058
130 HG23 ILE 21 3HG2 ILE 21 -4.058 -10.170 0.144
131 HD11 ILE 21 3HD1 ILE 21 -2.526 -11.616 0.564
132 HD12 ILE 21 1HD1 ILE 21 -0.792 -11.660 0.247
133 HD13 ILE 21 2HD1 ILE 21 -1.386 -11.183 1.838
134 H PHE 22 H PHE 22 -4.353 -6.147 -0.165
135 HA PHE 22 HA PHE 22 -5.490 -5.367 2.430
136 HB2 PHE 22 1HB PHE 22 -5.434 -3.529 0.036
137 HB3 PHE 22 2HB PHE 22 -5.930 -3.140 1.680
138 HD1 PHE 22 HD1 PHE 22 -3.093 -3.713 -0.553
139 HD2 PHE 22 HD2 PHE 22 -4.300 -2.717 3.405
140 HE1 PHE 22 HE1 PHE 22 -0.804 -2.965 -0.047
141 HE2 PHE 22 HE2 PHE 22 -2.014 -1.966 3.917
142 HZ PHE 22 HZ PHE 22 -0.262 -2.088 2.190
143 H PHE 23 H PHE 23 -7.792 -4.676 2.245
144 HA PHE 23 HA PHE 23 -9.157 -6.304 0.208
145 HB2 PHE 23 1HB PHE 23 -11.102 -6.095 1.937
146 HB3 PHE 23 2HB PHE 23 -9.792 -7.232 2.241
147 HD1 PHE 23 HD2 PHE 23 -7.818 -6.329 3.674
148 HD2 PHE 23 HD1 PHE 23 -11.699 -4.584 3.569
149 HE1 PHE 23 HE2 PHE 23 -7.389 -5.253 5.845
150 HE2 PHE 23 HE1 PHE 23 -11.276 -3.504 5.740
151 HZ PHE 23 HZ PHE 23 -9.119 -3.840 6.881
152 H GLN 24 H GLN 24 -9.231 -3.220 1.928
153 HA GLN 24 HA GLN 24 -11.372 -2.227 0.234
154 HB2 GLN 24 1HB GLN 24 -9.869 -1.094 2.580
155 HB3 GLN 24 2HB GLN 24 -10.930 -0.090 1.601
156 HG2 GLN 24 1HG GLN 24 -12.635 -2.049 2.086
157 HG3 GLN 24 2HG GLN 24 -11.591 -2.278 3.488
158 HE21 GLN 24 1HE2 GLN 24 -13.667 -1.724 4.563
159 HE22 GLN 24 2HE2 GLN 24 -13.994 -0.055 4.864
160 H TYR 25 H TYR 25 -11.011 -1.276 -1.649
161 HA TYR 25 HA TYR 25 -8.576 -0.898 -2.852
162 HB2 TYR 25 1HB TYR 25 -10.539 -0.815 -4.195
163 HB3 TYR 25 2HB TYR 25 -11.196 0.537 -3.280
164 HD1 TYR 25 HD1 TYR 25 -8.389 -0.394 -5.540
165 HD2 TYR 25 HD2 TYR 25 -10.835 2.729 -4.001
166 HE1 TYR 25 HE1 TYR 25 -7.396 1.172 -7.156
167 HE2 TYR 25 HE2 TYR 25 -9.850 4.303 -5.614
168 HH TYR 25 HH TYR 25 -8.241 4.610 -7.139
169 H VAL 26 H VAL 26 -10.337 1.329 -0.773
170 HA VAL 26 HA VAL 26 -8.893 3.661 -1.196
171 HB VAL 26 HB VAL 26 -10.146 2.638 1.353
172 HG11 VAL 26 1HG1 VAL 26 -8.459 4.297 1.896
173 HG12 VAL 26 2HG1 VAL 26 -9.133 5.404 0.698
174 HG13 VAL 26 3HG1 VAL 26 -10.073 4.970 2.127
175 HG21 VAL 26 3HG2 VAL 26 -12.072 3.181 0.388
176 HG22 VAL 26 1HG2 VAL 26 -11.513 4.847 0.233
177 HG23 VAL 26 2HG2 VAL 26 -11.219 3.693 -1.068
178 H SER 27 H SER 27 -8.104 0.841 0.742
179 HA SER 27 HA SER 27 -5.949 1.940 2.183
180 HB2 SER 27 1HB SER 27 -6.710 -0.870 1.420
181 HB3 SER 27 2HB SER 27 -5.211 -0.539 2.287
182 HG SER 27 HG SER 27 -7.842 -0.377 3.151
183 H LEU 28 H LEU 28 -6.206 0.635 -1.045
184 HA LEU 28 HA LEU 28 -3.384 0.412 -1.483
185 HB2 LEU 28 1HB LEU 28 -4.916 -0.967 -2.738
186 HB3 LEU 28 2HB LEU 28 -5.716 0.461 -3.392
187 HG LEU 28 HG LEU 28 -3.475 1.005 -4.488
188 HD11 LEU 28 1HD1 LEU 28 -2.063 -0.478 -3.209
189 HD12 LEU 28 2HD1 LEU 28 -2.033 -0.950 -4.908
190 HD13 LEU 28 3HD1 LEU 28 -2.989 -1.878 -3.753
191 HD21 LEU 28 3HD2 LEU 28 -4.565 0.297 -6.284
192 HD22 LEU 28 1HD2 LEU 28 -5.629 -0.666 -5.257
193 HD23 LEU 28 2HD2 LEU 28 -4.145 -1.373 -5.898
194 H ILE 29 H ILE 29 -5.812 2.558 -2.981
195 HA ILE 29 HA ILE 29 -4.111 4.312 -4.231
196 HB ILE 29 HB ILE 29 -6.647 4.283 -4.329
197 HG12 ILE 29 1HG1 ILE 29 -5.409 7.018 -3.971
198 HG13 ILE 29 2HG1 ILE 29 -5.144 6.007 -5.387
199 HG21 ILE 29 1HG2 ILE 29 -6.639 4.651 -1.712
200 HG22 ILE 29 2HG2 ILE 29 -6.656 6.347 -2.192
201 HG23 ILE 29 3HG2 ILE 29 -7.942 5.267 -2.727
202 HD11 ILE 29 3HD1 ILE 29 -6.914 6.997 -6.274
203 HD12 ILE 29 1HD1 ILE 29 -7.896 6.092 -5.123
204 HD13 ILE 29 2HD1 ILE 29 -7.365 7.728 -4.734
205 H GLU 30 H GLU 30 -4.992 4.185 -0.840
206 HA GLU 30 HA GLU 30 -3.651 6.681 -0.237
207 HB2 GLU 30 1HB GLU 30 -4.872 4.611 1.597
208 HB3 GLU 30 2HB GLU 30 -4.267 6.183 2.099
209 HG2 GLU 30 1HG GLU 30 -6.354 6.053 -0.018
210 HG3 GLU 30 2HG GLU 30 -6.816 5.789 1.662
211 H HIS 31 H HIS 31 -3.015 3.252 -0.069
212 HA HIS 31 HA HIS 31 -0.749 3.386 1.632
213 HB2 HIS 31 1HB HIS 31 -1.738 1.261 1.454
214 HB3 HIS 31 2HB HIS 31 -1.782 1.330 -0.306
215 HD1 HIS 31 HD1 HIS 31 0.925 1.320 2.380
216 HD2 HIS 31 HD2 HIS 31 0.144 -0.198 -1.408
217 HE1 HIS 31 HE1 HIS 31 2.918 -0.101 1.801
218 H GLN 32 H GLN 32 -1.211 3.700 -1.827
219 HA GLN 32 HA GLN 32 1.527 3.504 -2.552
220 HB2 GLN 32 1HB GLN 32 -0.797 4.810 -3.978
221 HB3 GLN 32 2HB GLN 32 0.789 4.540 -4.690
222 HG2 GLN 32 1HG GLN 32 -0.790 2.264 -3.565
223 HG3 GLN 32 2HG GLN 32 -1.105 2.875 -5.188
224 HE21 GLN 32 1HE2 GLN 32 -0.246 1.520 -6.587
225 HE22 GLN 32 2HE2 GLN 32 1.339 0.837 -6.500
226 H VAL 33 H VAL 33 -0.459 6.070 -1.325
227 HA VAL 33 HA VAL 33 1.122 8.264 -2.156
228 HB VAL 33 HB VAL 33 -0.710 8.028 0.236
229 HG11 VAL 33 1HG1 VAL 33 -0.594 10.319 0.527
230 HG12 VAL 33 2HG1 VAL 33 1.076 9.914 0.126
231 HG13 VAL 33 3HG1 VAL 33 0.014 10.600 -1.104
232 HG21 VAL 33 3HG2 VAL 33 -2.047 9.547 -1.532
233 HG22 VAL 33 1HG2 VAL 33 -1.150 8.511 -2.643
234 HG23 VAL 33 2HG2 VAL 33 -2.217 7.794 -1.435
235 H LEU 34 H LEU 34 0.977 6.512 0.943
236 HA LEU 34 HA LEU 34 2.839 7.870 2.401
237 HB2 LEU 34 1HB LEU 34 2.516 4.876 2.262
238 HB3 LEU 34 2HB LEU 34 3.324 5.758 3.557
239 HG LEU 34 HG LEU 34 0.402 6.057 2.872
240 HD11 LEU 34 1HD1 LEU 34 0.008 4.161 3.945
241 HD12 LEU 34 2HD1 LEU 34 0.790 4.818 5.382
242 HD13 LEU 34 3HD1 LEU 34 1.737 3.920 4.196
243 HD21 LEU 34 3HD2 LEU 34 1.396 6.722 5.547
244 HD22 LEU 34 1HD2 LEU 34 0.276 7.594 4.499
245 HD23 LEU 34 2HD2 LEU 34 2.016 7.756 4.260
246 H HIS 35 H HIS 35 3.533 5.176 0.176
247 HA HIS 35 HA HIS 35 6.223 4.928 0.412
248 HB2 HIS 35 1HB HIS 35 4.469 4.826 -2.030
249 HB3 HIS 35 2HB HIS 35 6.201 4.525 -2.143
250 HD1 HIS 35 HD1 HIS 35 6.886 2.665 -0.020
251 HD2 HIS 35 HD2 HIS 35 3.184 2.466 -1.895
252 HE1 HIS 35 HE1 HIS 35 6.054 0.326 0.382
253 H MET 36 H MET 36 4.513 7.459 -1.367
254 HA MET 36 HA MET 36 6.987 8.709 -2.202
255 HB2 MET 36 1HB MET 36 4.124 9.639 -2.483
256 HB3 MET 36 2HB MET 36 5.520 10.397 -3.236
257 HG2 MET 36 1HG MET 36 4.839 7.525 -3.737
258 HG3 MET 36 2HG MET 36 4.086 8.830 -4.651
259 HE1 MET 36 3HE MET 36 5.653 6.384 -5.672
260 HE2 MET 36 1HE MET 36 5.337 7.486 -7.012
261 HE3 MET 36 2HE MET 36 6.970 6.880 -6.736
262 H GLY 37 H GLY 37 6.795 8.482 0.584
263 HA2 GLY 37 1HA GLY 37 6.187 11.224 1.470
264 HA3 GLY 37 2HA GLY 37 6.317 9.823 2.522
265 H GLN 38 H GLN 38 7.673 11.656 3.577
266 HA GLN 38 HA GLN 38 10.448 11.417 2.615
267 HB2 GLN 38 1HB GLN 38 9.501 13.723 2.561
268 HB3 GLN 38 2HB GLN 38 9.280 13.635 4.303
269 HG2 GLN 38 1HG GLN 38 11.637 13.496 4.664
270 HG3 GLN 38 2HG GLN 38 11.941 13.346 2.934
271 HE21 GLN 38 1HE2 GLN 38 12.755 15.337 5.036
272 HE22 GLN 38 2HE2 GLN 38 12.346 16.872 4.355
273 H LYS 39 H LYS 39 10.967 9.567 3.763
274 HA LYS 39 HA LYS 39 11.070 9.906 6.688
275 HB2 LYS 39 1HB LYS 39 10.486 7.396 5.111
276 HB3 LYS 39 2HB LYS 39 10.870 7.400 6.828
277 HG2 LYS 39 1HG LYS 39 8.596 9.010 5.721
278 HG3 LYS 39 2HG LYS 39 8.412 7.309 6.157
279 HD2 LYS 39 1HD LYS 39 9.657 9.145 8.140
280 HD3 LYS 39 2HD LYS 39 7.913 9.250 7.886
281 HE2 LYS 39 1HE LYS 39 9.320 6.648 8.434
282 HE3 LYS 39 2HE LYS 39 8.711 7.686 9.722
283 HZ1 LYS 39 3HZ LYS 39 7.234 6.085 7.772
284 HZ2 LYS 39 1HZ LYS 39 6.540 7.544 8.273
285 HZ3 LYS 39 2HZ LYS 39 6.917 6.352 9.412
286 H ASN 40 H ASN 40 13.146 10.369 7.089
287 HA ASN 40 HA ASN 40 15.297 9.283 5.527
288 HB2 ASN 40 1HB ASN 40 15.274 11.572 6.627
289 HB3 ASN 40 2HB ASN 40 15.533 10.744 8.159
290 HD21 ASN 40 1HD2 ASN 40 16.882 11.293 4.962
291 HD22 ASN 40 2HD2 ASN 40 18.529 11.021 5.408
292 H SER 41 H SER 41 14.511 9.067 9.003
293 HA SER 41 HA SER 41 16.225 6.762 9.307
294 HB2 SER 41 1HB SER 41 15.475 6.840 11.682
295 HB3 SER 41 2HB SER 41 16.135 8.376 11.119
296 HG SER 41 HG SER 41 13.828 8.019 12.241
297 H GLY 42 H GLY 42 15.243 4.895 10.691
298 HA2 GLY 42 1HA GLY 42 12.531 4.229 9.792
299 HA3 GLY 42 2HA GLY 42 13.842 3.140 9.362
300 HA PRO 43 HA PRO 43 12.088 2.468 13.785
301 HB2 PRO 43 1HB PRO 43 10.183 0.600 13.284
302 HB3 PRO 43 2HB PRO 43 9.840 2.333 13.331
303 HG2 PRO 43 1HG PRO 43 10.291 0.554 10.966
304 HG3 PRO 43 2HG PRO 43 9.077 1.826 11.194
305 HD2 PRO 43 1HD PRO 43 11.342 2.215 9.763
306 HD3 PRO 43 2HD PRO 43 10.566 3.512 10.693
307 H SER 44 H SER 44 14.203 1.518 13.910
308 HA SER 44 HA SER 44 14.485 -1.239 13.006
309 HB2 SER 44 1HB SER 44 16.352 0.357 12.665
310 HB3 SER 44 2HB SER 44 16.488 0.545 14.413
311 HG SER 44 HG SER 44 16.619 -1.965 14.175
312 H SER 45 H SER 45 13.127 -2.381 14.370
313 HA SER 45 HA SER 45 13.386 -2.115 17.241
314 HB2 SER 45 1HB SER 45 11.247 -2.699 15.801
315 HB3 SER 45 2HB SER 45 11.853 -4.346 15.968
316 HG SER 45 HG SER 45 12.018 -3.518 18.346
317 H GLY 46 H GLY 46 14.625 -3.323 18.533
318 HA2 GLY 46 1HA GLY 46 16.033 -5.611 17.310
319 HA3 GLY 46 2HA GLY 46 16.685 -4.612 18.601
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -10.161 -26.558 -26.248
2 HA2 GLY 1 1HA GLY 1 -7.395 -26.265 -27.167
3 HA3 GLY 1 2HA GLY 1 -8.545 -25.019 -27.627
4 H SER 2 H SER 2 -8.156 -23.271 -26.444
5 HA SER 2 HA SER 2 -6.906 -23.285 -23.920
6 HB2 SER 2 1HB SER 2 -8.621 -21.089 -25.103
7 HB3 SER 2 2HB SER 2 -7.396 -20.909 -23.847
8 HG SER 2 HG SER 2 -6.909 -20.495 -26.253
9 H SER 3 H SER 3 -7.673 -23.493 -21.913
10 HA SER 3 HA SER 3 -10.482 -24.100 -21.557
11 HB2 SER 3 1HB SER 3 -8.664 -25.440 -20.467
12 HB3 SER 3 2HB SER 3 -8.291 -24.035 -19.469
13 HG SER 3 HG SER 3 -9.731 -25.553 -18.463
14 H GLY 4 H GLY 4 -11.947 -22.614 -21.071
15 HA2 GLY 4 1HA GLY 4 -11.046 -20.071 -19.904
16 HA3 GLY 4 2HA GLY 4 -12.551 -20.320 -20.776
17 H SER 5 H SER 5 -10.897 -21.524 -17.855
18 HA SER 5 HA SER 5 -13.166 -20.837 -16.222
19 HB2 SER 5 1HB SER 5 -13.880 -23.009 -17.170
20 HB3 SER 5 2HB SER 5 -12.417 -23.755 -16.529
21 HG SER 5 HG SER 5 -13.356 -22.672 -14.456
22 H SER 6 H SER 6 -12.695 -20.824 -14.017
23 HA SER 6 HA SER 6 -11.298 -20.368 -12.265
24 HB2 SER 6 1HB SER 6 -10.077 -22.996 -13.146
25 HB3 SER 6 2HB SER 6 -9.941 -22.272 -11.543
26 HG SER 6 HG SER 6 -11.896 -22.925 -11.077
27 H GLY 7 H GLY 7 -10.510 -18.978 -14.516
28 HA2 GLY 7 1HA GLY 7 -7.565 -19.181 -14.434
29 HA3 GLY 7 2HA GLY 7 -8.473 -18.558 -15.803
30 H SER 8 H SER 8 -8.903 -17.834 -12.364
31 HA SER 8 HA SER 8 -7.605 -15.297 -12.503
32 HB2 SER 8 1HB SER 8 -9.604 -13.885 -12.244
33 HB3 SER 8 2HB SER 8 -9.626 -14.739 -13.787
34 HG SER 8 HG SER 8 -11.401 -14.837 -11.762
35 H ARG 9 H ARG 9 -6.718 -15.262 -10.552
36 HA ARG 9 HA ARG 9 -8.392 -15.988 -8.238
37 HB2 ARG 9 1HB ARG 9 -6.396 -17.521 -8.898
38 HB3 ARG 9 2HB ARG 9 -5.401 -16.241 -8.217
39 HG2 ARG 9 1HG ARG 9 -5.695 -17.787 -6.485
40 HG3 ARG 9 2HG ARG 9 -6.807 -16.466 -6.117
41 HD2 ARG 9 1HD ARG 9 -8.498 -17.935 -7.485
42 HD3 ARG 9 2HD ARG 9 -7.384 -19.235 -7.063
43 HE ARG 9 HE ARG 9 -7.835 -18.053 -4.686
44 HH11 ARG 9 1HH1 ARG 9 -9.962 -19.203 -7.192
45 HH12 ARG 9 2HH1 ARG 9 -11.248 -19.596 -6.100
46 HH21 ARG 9 1HH2 ARG 9 -9.522 -18.567 -3.239
47 HH22 ARG 9 2HH2 ARG 9 -10.997 -19.233 -3.852
48 H GLU 10 H GLU 10 -8.398 -13.406 -9.189
49 HA GLU 10 HA GLU 10 -6.708 -11.968 -7.250
50 HB2 GLU 10 1HB GLU 10 -7.582 -11.324 -10.020
51 HB3 GLU 10 2HB GLU 10 -7.454 -9.989 -8.883
52 HG2 GLU 10 1HG GLU 10 -5.120 -10.679 -8.415
53 HG3 GLU 10 2HG GLU 10 -5.271 -11.900 -9.678
54 H LYS 11 H LYS 11 -7.831 -11.442 -5.501
55 HA LYS 11 HA LYS 11 -10.552 -10.374 -5.857
56 HB2 LYS 11 1HB LYS 11 -11.141 -11.391 -3.664
57 HB3 LYS 11 2HB LYS 11 -10.788 -12.578 -4.913
58 HG2 LYS 11 1HG LYS 11 -8.763 -13.180 -3.947
59 HG3 LYS 11 2HG LYS 11 -8.666 -11.695 -2.997
60 HD2 LYS 11 1HD LYS 11 -10.833 -12.588 -1.870
61 HD3 LYS 11 2HD LYS 11 -10.319 -14.145 -2.524
62 HE2 LYS 11 1HE LYS 11 -8.516 -12.394 -0.870
63 HE3 LYS 11 2HE LYS 11 -9.579 -13.607 -0.159
64 HZ1 LYS 11 3HZ LYS 11 -7.062 -13.953 -1.434
65 HZ2 LYS 11 1HZ LYS 11 -8.246 -14.905 -2.179
66 HZ3 LYS 11 2HZ LYS 11 -7.959 -15.058 -0.519
67 H SER 12 H SER 12 -7.516 -10.289 -4.129
68 HA SER 12 HA SER 12 -8.390 -7.903 -2.658
69 HB2 SER 12 1HB SER 12 -5.855 -9.507 -2.264
70 HB3 SER 12 2HB SER 12 -6.499 -8.260 -1.197
71 HG SER 12 HG SER 12 -7.332 -10.898 -1.569
72 H HIS 13 H HIS 13 -6.402 -6.349 -2.285
73 HA HIS 13 HA HIS 13 -5.269 -5.778 -4.944
74 HB2 HIS 13 1HB HIS 13 -6.291 -3.964 -2.778
75 HB3 HIS 13 2HB HIS 13 -5.137 -3.376 -3.972
76 HD1 HIS 13 HD1 HIS 13 -6.075 -4.172 -6.581
77 HD2 HIS 13 HD2 HIS 13 -8.787 -3.326 -3.549
78 HE1 HIS 13 HE1 HIS 13 -8.241 -3.641 -7.745
79 H GLN 14 H GLN 14 -3.457 -7.148 -4.401
80 HA GLN 14 HA GLN 14 -1.764 -6.526 -2.186
81 HB2 GLN 14 1HB GLN 14 -1.971 -8.762 -3.426
82 HB3 GLN 14 2HB GLN 14 -0.926 -8.046 -4.646
83 HG2 GLN 14 1HG GLN 14 0.867 -7.833 -3.122
84 HG3 GLN 14 2HG GLN 14 -0.171 -8.197 -1.744
85 HE21 GLN 14 1HE2 GLN 14 -0.190 -10.209 -1.033
86 HE22 GLN 14 2HE2 GLN 14 0.381 -11.593 -1.894
87 H CYS 15 H CYS 15 0.358 -5.647 -2.265
88 HA CYS 15 HA CYS 15 0.697 -3.686 -4.431
89 HB2 CYS 15 1HB CYS 15 0.537 -2.532 -2.376
90 HB3 CYS 15 2HB CYS 15 1.563 -3.698 -1.547
91 H ARG 16 H ARG 16 2.773 -3.328 -5.322
92 HA ARG 16 HA ARG 16 4.539 -5.672 -5.119
93 HB2 ARG 16 1HB ARG 16 3.573 -5.287 -7.345
94 HB3 ARG 16 2HB ARG 16 4.255 -3.666 -7.364
95 HG2 ARG 16 1HG ARG 16 6.511 -4.627 -7.279
96 HG3 ARG 16 2HG ARG 16 5.807 -6.246 -7.307
97 HD2 ARG 16 1HD ARG 16 5.160 -6.074 -9.503
98 HD3 ARG 16 2HD ARG 16 5.045 -4.315 -9.442
99 HE ARG 16 HE ARG 16 7.687 -4.742 -9.150
100 HH11 ARG 16 1HH1 ARG 16 5.347 -5.914 -11.446
101 HH12 ARG 16 2HH1 ARG 16 6.493 -6.056 -12.738
102 HH21 ARG 16 1HH2 ARG 16 9.205 -4.925 -10.843
103 HH22 ARG 16 2HH2 ARG 16 8.687 -5.494 -12.394
104 H GLU 17 H GLU 17 4.396 -2.187 -4.935
105 HA GLU 17 HA GLU 17 7.029 -1.441 -5.086
106 HB2 GLU 17 1HB GLU 17 4.968 -0.422 -3.123
107 HB3 GLU 17 2HB GLU 17 6.467 0.399 -3.536
108 HG2 GLU 17 1HG GLU 17 4.512 -0.311 -5.677
109 HG3 GLU 17 2HG GLU 17 4.250 1.110 -4.668
110 H CYS 18 H CYS 18 5.332 -2.726 -2.245
111 HA CYS 18 HA CYS 18 7.956 -3.375 -1.082
112 HB2 CYS 18 1HB CYS 18 6.983 -2.923 1.166
113 HB3 CYS 18 2HB CYS 18 7.098 -1.486 0.156
114 H GLY 19 H GLY 19 4.477 -4.092 -1.062
115 HA2 GLY 19 1HA GLY 19 3.879 -6.441 -1.533
116 HA3 GLY 19 2HA GLY 19 5.175 -6.895 -0.436
117 H GLU 20 H GLU 20 2.026 -5.297 -0.609
118 HA GLU 20 HA GLU 20 1.480 -6.269 2.105
119 HB2 GLU 20 1HB GLU 20 2.082 -3.714 1.851
120 HB3 GLU 20 2HB GLU 20 0.419 -3.596 1.292
121 HG2 GLU 20 1HG GLU 20 0.559 -3.103 3.652
122 HG3 GLU 20 2HG GLU 20 -0.357 -4.585 3.386
123 H ILE 21 H ILE 21 -0.753 -6.596 2.578
124 HA ILE 21 HA ILE 21 -2.449 -6.786 0.174
125 HB ILE 21 HB ILE 21 -2.398 -8.645 2.554
126 HG12 ILE 21 1HG1 ILE 21 -1.782 -9.256 -0.339
127 HG13 ILE 21 2HG1 ILE 21 -0.542 -8.847 0.841
128 HG21 ILE 21 1HG2 ILE 21 -4.354 -8.217 0.388
129 HG22 ILE 21 2HG2 ILE 21 -3.949 -9.893 0.751
130 HG23 ILE 21 3HG2 ILE 21 -4.584 -8.845 2.019
131 HD11 ILE 21 3HD1 ILE 21 -1.501 -11.366 0.256
132 HD12 ILE 21 1HD1 ILE 21 -0.516 -10.911 1.647
133 HD13 ILE 21 2HD1 ILE 21 -2.274 -10.958 1.788
134 H PHE 22 H PHE 22 -4.587 -6.193 0.337
135 HA PHE 22 HA PHE 22 -5.622 -5.326 2.922
136 HB2 PHE 22 1HB PHE 22 -5.533 -3.487 0.520
137 HB3 PHE 22 2HB PHE 22 -6.285 -3.128 2.072
138 HD1 PHE 22 HD2 PHE 22 -4.802 -3.020 4.122
139 HD2 PHE 22 HD1 PHE 22 -3.275 -3.045 0.149
140 HE1 PHE 22 HE2 PHE 22 -2.674 -2.092 4.938
141 HE2 PHE 22 HE1 PHE 22 -1.144 -2.118 0.958
142 HZ PHE 22 HZ PHE 22 -0.842 -1.639 3.355
143 H PHE 23 H PHE 23 -7.959 -4.721 2.770
144 HA PHE 23 HA PHE 23 -9.295 -6.221 0.614
145 HB2 PHE 23 1HB PHE 23 -10.318 -6.020 3.447
146 HB3 PHE 23 2HB PHE 23 -10.901 -7.073 2.163
147 HD1 PHE 23 HD2 PHE 23 -9.665 -9.068 1.530
148 HD2 PHE 23 HD1 PHE 23 -8.343 -6.559 4.704
149 HE1 PHE 23 HE2 PHE 23 -8.159 -10.851 2.307
150 HE2 PHE 23 HE1 PHE 23 -6.834 -8.338 5.486
151 HZ PHE 23 HZ PHE 23 -6.741 -10.488 4.288
152 H GLN 24 H GLN 24 -8.707 -3.384 0.736
153 HA GLN 24 HA GLN 24 -11.428 -2.401 0.386
154 HB2 GLN 24 1HB GLN 24 -9.401 -1.062 2.182
155 HB3 GLN 24 2HB GLN 24 -10.900 -0.316 1.646
156 HG2 GLN 24 1HG GLN 24 -11.504 -1.087 3.710
157 HG3 GLN 24 2HG GLN 24 -11.996 -2.437 2.689
158 HE21 GLN 24 1HE2 GLN 24 -11.856 -3.875 4.417
159 HE22 GLN 24 2HE2 GLN 24 -10.337 -4.418 5.035
160 H TYR 25 H TYR 25 -11.189 0.063 -0.356
161 HA TYR 25 HA TYR 25 -9.301 -0.022 -2.598
162 HB2 TYR 25 1HB TYR 25 -11.687 0.273 -3.144
163 HB3 TYR 25 2HB TYR 25 -11.724 1.741 -2.174
164 HD1 TYR 25 HD1 TYR 25 -9.653 0.306 -4.944
165 HD2 TYR 25 HD2 TYR 25 -11.626 3.719 -3.343
166 HE1 TYR 25 HE1 TYR 25 -8.973 1.615 -6.912
167 HE2 TYR 25 HE2 TYR 25 -10.952 5.037 -5.307
168 HH TYR 25 HH TYR 25 -9.570 5.076 -7.112
169 H VAL 26 H VAL 26 -10.421 2.090 0.014
170 HA VAL 26 HA VAL 26 -8.700 4.258 -0.571
171 HB VAL 26 HB VAL 26 -9.934 3.482 2.076
172 HG11 VAL 26 1HG1 VAL 26 -8.565 5.986 1.133
173 HG12 VAL 26 2HG1 VAL 26 -9.681 5.977 2.500
174 HG13 VAL 26 3HG1 VAL 26 -8.207 5.008 2.556
175 HG21 VAL 26 3HG2 VAL 26 -10.962 4.874 -0.326
176 HG22 VAL 26 1HG2 VAL 26 -11.806 3.872 0.854
177 HG23 VAL 26 2HG2 VAL 26 -11.410 5.547 1.241
178 H SER 27 H SER 27 -8.326 1.342 1.345
179 HA SER 27 HA SER 27 -6.014 2.046 2.764
180 HB2 SER 27 1HB SER 27 -7.285 0.079 3.379
181 HB3 SER 27 2HB SER 27 -6.970 -0.663 1.811
182 HG SER 27 HG SER 27 -5.545 -0.946 3.959
183 H LEU 28 H LEU 28 -6.454 0.721 -0.468
184 HA LEU 28 HA LEU 28 -3.628 0.378 -0.912
185 HB2 LEU 28 1HB LEU 28 -5.282 -1.084 -1.975
186 HB3 LEU 28 2HB LEU 28 -5.939 0.299 -2.847
187 HG LEU 28 HG LEU 28 -3.552 0.501 -3.836
188 HD11 LEU 28 1HD1 LEU 28 -2.744 -2.013 -4.064
189 HD12 LEU 28 2HD1 LEU 28 -3.478 -2.128 -2.466
190 HD13 LEU 28 3HD1 LEU 28 -2.187 -0.964 -2.761
191 HD21 LEU 28 3HD2 LEU 28 -5.245 0.003 -5.336
192 HD22 LEU 28 1HD2 LEU 28 -5.652 -1.513 -4.532
193 HD23 LEU 28 2HD2 LEU 28 -4.176 -1.392 -5.490
194 H ILE 29 H ILE 29 -6.052 2.324 -2.663
195 HA ILE 29 HA ILE 29 -4.462 3.941 -4.129
196 HB ILE 29 HB ILE 29 -6.986 4.015 -3.991
197 HG12 ILE 29 1HG1 ILE 29 -5.708 6.748 -3.929
198 HG13 ILE 29 2HG1 ILE 29 -5.483 5.627 -5.267
199 HG21 ILE 29 1HG2 ILE 29 -6.925 4.439 -1.481
200 HG22 ILE 29 2HG2 ILE 29 -6.563 6.115 -1.888
201 HG23 ILE 29 3HG2 ILE 29 -8.075 5.384 -2.425
202 HD11 ILE 29 3HD1 ILE 29 -8.277 5.989 -4.581
203 HD12 ILE 29 1HD1 ILE 29 -7.480 7.498 -5.025
204 HD13 ILE 29 2HD1 ILE 29 -7.462 6.129 -6.138
205 H GLU 30 H GLU 30 -5.039 4.200 -0.671
206 HA GLU 30 HA GLU 30 -3.584 6.678 -0.427
207 HB2 GLU 30 1HB GLU 30 -5.438 6.203 1.090
208 HB3 GLU 30 2HB GLU 30 -4.612 4.766 1.676
209 HG2 GLU 30 1HG GLU 30 -2.725 6.413 2.322
210 HG3 GLU 30 2HG GLU 30 -3.981 7.641 2.174
211 H HIS 31 H HIS 31 -3.039 3.285 0.471
212 HA HIS 31 HA HIS 31 -0.600 3.485 1.722
213 HB2 HIS 31 1HB HIS 31 -1.591 1.355 1.714
214 HB3 HIS 31 2HB HIS 31 -1.774 1.347 -0.038
215 HD1 HIS 31 HD1 HIS 31 0.700 0.670 2.673
216 HD2 HIS 31 HD2 HIS 31 0.500 0.551 -1.475
217 HE1 HIS 31 HE1 HIS 31 2.754 -0.580 1.936
218 H GLN 32 H GLN 32 -1.277 3.440 -1.742
219 HA GLN 32 HA GLN 32 1.357 3.241 -2.668
220 HB2 GLN 32 1HB GLN 32 -1.064 4.565 -3.896
221 HB3 GLN 32 2HB GLN 32 0.458 4.334 -4.747
222 HG2 GLN 32 1HG GLN 32 -1.428 2.227 -3.738
223 HG3 GLN 32 2HG GLN 32 -0.991 2.587 -5.407
224 HE21 GLN 32 1HE2 GLN 32 -0.824 0.053 -4.127
225 HE22 GLN 32 2HE2 GLN 32 0.838 -0.417 -4.122
226 H VAL 33 H VAL 33 -0.605 6.086 -1.877
227 HA VAL 33 HA VAL 33 1.057 8.110 -2.718
228 HB VAL 33 HB VAL 33 -0.605 8.048 -0.196
229 HG11 VAL 33 1HG1 VAL 33 0.652 10.349 -1.681
230 HG12 VAL 33 2HG1 VAL 33 -0.600 10.533 -0.451
231 HG13 VAL 33 3HG1 VAL 33 0.966 9.844 -0.021
232 HG21 VAL 33 3HG2 VAL 33 -1.226 8.978 -2.997
233 HG22 VAL 33 1HG2 VAL 33 -1.949 7.613 -2.145
234 HG23 VAL 33 2HG2 VAL 33 -2.258 9.260 -1.595
235 H LEU 34 H LEU 34 1.147 6.409 0.402
236 HA LEU 34 HA LEU 34 3.122 7.787 1.699
237 HB2 LEU 34 1HB LEU 34 2.490 4.855 1.632
238 HB3 LEU 34 2HB LEU 34 3.772 5.498 2.655
239 HG LEU 34 HG LEU 34 0.883 6.347 2.821
240 HD11 LEU 34 1HD1 LEU 34 0.489 4.436 3.876
241 HD12 LEU 34 2HD1 LEU 34 1.620 4.954 5.126
242 HD13 LEU 34 3HD1 LEU 34 2.187 3.968 3.778
243 HD21 LEU 34 3HD2 LEU 34 3.095 7.665 3.701
244 HD22 LEU 34 1HD2 LEU 34 2.686 6.681 5.107
245 HD23 LEU 34 2HD2 LEU 34 1.492 7.788 4.428
246 H HIS 35 H HIS 35 3.633 5.023 -0.493
247 HA HIS 35 HA HIS 35 6.354 4.836 -0.462
248 HB2 HIS 35 1HB HIS 35 4.386 4.492 -2.711
249 HB3 HIS 35 2HB HIS 35 6.109 4.224 -2.962
250 HD1 HIS 35 HD1 HIS 35 6.903 2.676 -0.509
251 HD2 HIS 35 HD2 HIS 35 3.337 2.007 -2.535
252 HE1 HIS 35 HE1 HIS 35 6.221 0.330 0.086
253 H MET 36 H MET 36 4.621 6.723 -2.949
254 HA MET 36 HA MET 36 6.979 8.152 -3.689
255 HB2 MET 36 1HB MET 36 5.477 9.449 -5.141
256 HB3 MET 36 2HB MET 36 5.215 7.719 -5.316
257 HG2 MET 36 1HG MET 36 3.064 8.462 -5.229
258 HG3 MET 36 2HG MET 36 3.356 8.125 -3.524
259 HE1 MET 36 3HE MET 36 1.470 10.073 -5.517
260 HE2 MET 36 1HE MET 36 0.875 10.067 -3.856
261 HE3 MET 36 2HE MET 36 1.248 11.596 -4.653
262 H GLY 37 H GLY 37 7.180 10.517 -3.619
263 HA2 GLY 37 1HA GLY 37 5.630 11.973 -1.672
264 HA3 GLY 37 2HA GLY 37 7.258 11.594 -1.129
265 H GLN 38 H GLN 38 8.291 13.498 -1.180
266 HA GLN 38 HA GLN 38 8.064 15.136 -3.612
267 HB2 GLN 38 1HB GLN 38 8.881 16.999 -2.266
268 HB3 GLN 38 2HB GLN 38 7.464 16.274 -1.520
269 HG2 GLN 38 1HG GLN 38 8.816 15.156 0.108
270 HG3 GLN 38 2HG GLN 38 10.294 15.671 -0.702
271 HE21 GLN 38 1HE2 GLN 38 10.984 16.624 1.252
272 HE22 GLN 38 2HE2 GLN 38 10.351 18.143 1.776
273 H LYS 39 H LYS 39 9.665 12.816 -3.643
274 HA LYS 39 HA LYS 39 12.356 14.006 -3.823
275 HB2 LYS 39 1HB LYS 39 11.620 11.161 -3.109
276 HB3 LYS 39 2HB LYS 39 13.261 11.735 -3.378
277 HG2 LYS 39 1HG LYS 39 11.592 13.125 -1.349
278 HG3 LYS 39 2HG LYS 39 12.254 11.536 -0.960
279 HD2 LYS 39 1HD LYS 39 14.504 12.447 -1.685
280 HD3 LYS 39 2HD LYS 39 13.749 14.042 -1.699
281 HE2 LYS 39 1HE LYS 39 13.137 13.745 0.667
282 HE3 LYS 39 2HE LYS 39 13.950 12.181 0.667
283 HZ1 LYS 39 3HZ LYS 39 15.439 13.768 1.571
284 HZ2 LYS 39 1HZ LYS 39 15.189 14.849 0.294
285 HZ3 LYS 39 2HZ LYS 39 16.010 13.396 0.023
286 H ASN 40 H ASN 40 10.572 11.145 -5.001
287 HA ASN 40 HA ASN 40 12.026 11.202 -7.496
288 HB2 ASN 40 1HB ASN 40 9.730 9.442 -6.602
289 HB3 ASN 40 2HB ASN 40 10.697 9.203 -8.055
290 HD21 ASN 40 1HD2 ASN 40 10.795 9.269 -4.547
291 HD22 ASN 40 2HD2 ASN 40 12.178 8.246 -4.381
292 H SER 41 H SER 41 11.355 13.270 -8.277
293 HA SER 41 HA SER 41 8.875 14.301 -8.625
294 HB2 SER 41 1HB SER 41 11.097 14.302 -10.682
295 HB3 SER 41 2HB SER 41 9.714 15.396 -10.683
296 HG SER 41 HG SER 41 10.506 16.434 -8.969
297 H GLY 42 H GLY 42 7.126 14.030 -9.943
298 HA2 GLY 42 1HA GLY 42 6.369 11.565 -10.839
299 HA3 GLY 42 2HA GLY 42 5.735 13.063 -11.505
300 HA PRO 43 HA PRO 43 8.475 10.580 -14.555
301 HB2 PRO 43 1HB PRO 43 6.550 9.221 -15.904
302 HB3 PRO 43 2HB PRO 43 7.386 8.557 -14.495
303 HG2 PRO 43 1HG PRO 43 4.693 9.853 -14.662
304 HG3 PRO 43 2HG PRO 43 5.183 8.402 -13.768
305 HD2 PRO 43 1HD PRO 43 4.892 10.816 -12.578
306 HD3 PRO 43 2HD PRO 43 6.088 9.622 -12.034
307 H SER 44 H SER 44 8.695 11.145 -16.735
308 HA SER 44 HA SER 44 7.366 13.569 -17.494
309 HB2 SER 44 1HB SER 44 9.581 11.904 -18.591
310 HB3 SER 44 2HB SER 44 8.754 12.999 -19.700
311 HG SER 44 HG SER 44 10.286 13.584 -17.423
312 H SER 45 H SER 45 6.625 13.750 -19.877
313 HA SER 45 HA SER 45 4.474 11.834 -20.212
314 HB2 SER 45 1HB SER 45 3.619 13.376 -21.894
315 HB3 SER 45 2HB SER 45 4.057 14.271 -20.439
316 HG SER 45 HG SER 45 5.904 13.963 -22.542
317 H GLY 46 H GLY 46 3.995 10.870 -22.313
318 HA2 GLY 46 1HA GLY 46 6.401 10.432 -23.963
319 HA3 GLY 46 2HA GLY 46 5.445 9.071 -23.396
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -15.807 -30.809 -11.663
2 HA2 GLY 1 1HA GLY 1 -14.754 -28.333 -12.888
3 HA3 GLY 1 2HA GLY 1 -14.802 -28.587 -11.150
4 H SER 2 H SER 2 -12.466 -27.931 -12.559
5 HA SER 2 HA SER 2 -10.867 -30.322 -11.993
6 HB2 SER 2 1HB SER 2 -10.934 -28.774 -14.560
7 HB3 SER 2 2HB SER 2 -9.429 -29.530 -14.039
8 HG SER 2 HG SER 2 -11.607 -30.663 -15.152
9 H SER 3 H SER 3 -8.584 -29.846 -11.631
10 HA SER 3 HA SER 3 -8.021 -28.039 -9.736
11 HB2 SER 3 1HB SER 3 -5.662 -28.125 -10.398
12 HB3 SER 3 2HB SER 3 -6.404 -29.719 -10.544
13 HG SER 3 HG SER 3 -5.671 -29.646 -12.509
14 H GLY 4 H GLY 4 -8.774 -25.993 -9.757
15 HA2 GLY 4 1HA GLY 4 -7.413 -23.955 -11.062
16 HA3 GLY 4 2HA GLY 4 -8.815 -24.326 -12.054
17 H SER 5 H SER 5 -9.796 -22.338 -11.703
18 HA SER 5 HA SER 5 -10.236 -21.281 -9.093
19 HB2 SER 5 1HB SER 5 -11.531 -19.579 -10.176
20 HB3 SER 5 2HB SER 5 -10.166 -19.938 -11.234
21 HG SER 5 HG SER 5 -11.785 -21.500 -12.215
22 H SER 6 H SER 6 -11.862 -23.586 -11.067
23 HA SER 6 HA SER 6 -13.964 -24.536 -10.950
24 HB2 SER 6 1HB SER 6 -12.518 -25.716 -9.272
25 HB3 SER 6 2HB SER 6 -13.192 -24.664 -8.027
26 HG SER 6 HG SER 6 -14.235 -26.895 -9.106
27 H GLY 7 H GLY 7 -14.306 -21.804 -10.986
28 HA2 GLY 7 1HA GLY 7 -16.854 -21.314 -10.335
29 HA3 GLY 7 2HA GLY 7 -16.057 -21.061 -8.789
30 H SER 8 H SER 8 -16.469 -18.881 -8.646
31 HA SER 8 HA SER 8 -16.096 -17.024 -10.728
32 HB2 SER 8 1HB SER 8 -16.412 -15.333 -9.089
33 HB3 SER 8 2HB SER 8 -17.396 -16.696 -8.556
34 HG SER 8 HG SER 8 -14.807 -16.015 -7.608
35 H ARG 9 H ARG 9 -14.505 -15.122 -10.441
36 HA ARG 9 HA ARG 9 -11.823 -16.265 -10.026
37 HB2 ARG 9 1HB ARG 9 -12.259 -15.616 -12.341
38 HB3 ARG 9 2HB ARG 9 -12.696 -13.994 -11.821
39 HG2 ARG 9 1HG ARG 9 -10.433 -13.585 -11.075
40 HG3 ARG 9 2HG ARG 9 -9.976 -15.239 -11.485
41 HD2 ARG 9 1HD ARG 9 -10.391 -14.820 -13.823
42 HD3 ARG 9 2HD ARG 9 -11.009 -13.210 -13.460
43 HE ARG 9 HE ARG 9 -8.360 -13.503 -12.503
44 HH11 ARG 9 1HH1 ARG 9 -10.194 -13.067 -15.429
45 HH12 ARG 9 2HH1 ARG 9 -8.907 -12.270 -16.272
46 HH21 ARG 9 1HH2 ARG 9 -6.658 -12.455 -13.602
47 HH22 ARG 9 2HH2 ARG 9 -6.896 -11.923 -15.232
48 H GLU 10 H GLU 10 -11.788 -15.761 -7.795
49 HA GLU 10 HA GLU 10 -12.384 -13.395 -6.552
50 HB2 GLU 10 1HB GLU 10 -10.667 -13.989 -4.872
51 HB3 GLU 10 2HB GLU 10 -11.695 -15.349 -5.301
52 HG2 GLU 10 1HG GLU 10 -9.948 -16.209 -6.773
53 HG3 GLU 10 2HG GLU 10 -8.916 -14.846 -6.343
54 H LYS 11 H LYS 11 -10.641 -11.896 -5.534
55 HA LYS 11 HA LYS 11 -8.398 -11.256 -7.213
56 HB2 LYS 11 1HB LYS 11 -9.104 -9.166 -8.048
57 HB3 LYS 11 2HB LYS 11 -10.437 -10.265 -8.379
58 HG2 LYS 11 1HG LYS 11 -10.380 -8.536 -5.929
59 HG3 LYS 11 2HG LYS 11 -11.010 -7.959 -7.473
60 HD2 LYS 11 1HD LYS 11 -11.977 -10.521 -6.241
61 HD3 LYS 11 2HD LYS 11 -12.672 -8.961 -5.792
62 HE2 LYS 11 1HE LYS 11 -12.427 -9.707 -8.675
63 HE3 LYS 11 2HE LYS 11 -13.741 -10.374 -7.708
64 HZ1 LYS 11 3HZ LYS 11 -13.995 -7.847 -7.056
65 HZ2 LYS 11 1HZ LYS 11 -14.730 -8.486 -8.440
66 HZ3 LYS 11 2HZ LYS 11 -13.282 -7.623 -8.574
67 H SER 12 H SER 12 -7.039 -9.622 -6.310
68 HA SER 12 HA SER 12 -7.746 -8.700 -3.621
69 HB2 SER 12 1HB SER 12 -5.112 -10.050 -4.253
70 HB3 SER 12 2HB SER 12 -5.634 -9.435 -2.684
71 HG SER 12 HG SER 12 -6.189 -11.810 -3.888
72 H HIS 13 H HIS 13 -6.226 -7.031 -2.813
73 HA HIS 13 HA HIS 13 -5.054 -5.489 -5.035
74 HB2 HIS 13 1HB HIS 13 -6.691 -4.567 -2.683
75 HB3 HIS 13 2HB HIS 13 -5.614 -3.465 -3.537
76 HD1 HIS 13 HD1 HIS 13 -6.133 -4.034 -6.414
77 HD2 HIS 13 HD2 HIS 13 -9.173 -4.010 -3.581
78 HE1 HIS 13 HE1 HIS 13 -8.252 -3.621 -7.704
79 H GLN 14 H GLN 14 -3.047 -6.578 -4.528
80 HA GLN 14 HA GLN 14 -1.819 -5.873 -1.972
81 HB2 GLN 14 1HB GLN 14 -1.631 -8.198 -2.771
82 HB3 GLN 14 2HB GLN 14 -0.789 -7.630 -4.207
83 HG2 GLN 14 1HG GLN 14 1.069 -6.882 -2.903
84 HG3 GLN 14 2HG GLN 14 0.209 -7.216 -1.401
85 HE21 GLN 14 1HE2 GLN 14 2.360 -8.387 -1.165
86 HE22 GLN 14 2HE2 GLN 14 2.378 -10.047 -1.642
87 H CYS 15 H CYS 15 0.445 -5.090 -1.992
88 HA CYS 15 HA CYS 15 0.747 -3.014 -4.040
89 HB2 CYS 15 1HB CYS 15 0.747 -2.121 -1.822
90 HB3 CYS 15 2HB CYS 15 1.911 -3.323 -1.271
91 H ARG 16 H ARG 16 2.220 -3.220 -5.583
92 HA ARG 16 HA ARG 16 4.247 -5.316 -5.332
93 HB2 ARG 16 1HB ARG 16 2.677 -5.104 -7.346
94 HB3 ARG 16 2HB ARG 16 3.643 -3.708 -7.806
95 HG2 ARG 16 1HG ARG 16 5.490 -4.978 -8.310
96 HG3 ARG 16 2HG ARG 16 5.001 -6.301 -7.249
97 HD2 ARG 16 1HD ARG 16 3.441 -7.113 -8.781
98 HD3 ARG 16 2HD ARG 16 3.392 -5.593 -9.675
99 HE ARG 16 HE ARG 16 5.981 -6.698 -9.815
100 HH11 ARG 16 1HH1 ARG 16 2.750 -7.200 -11.010
101 HH12 ARG 16 2HH1 ARG 16 3.270 -7.971 -12.472
102 HH21 ARG 16 1HH2 ARG 16 6.678 -7.712 -11.735
103 HH22 ARG 16 2HH2 ARG 16 5.505 -8.263 -12.883
104 H GLU 17 H GLU 17 4.657 -2.993 -3.801
105 HA GLU 17 HA GLU 17 7.079 -1.946 -5.097
106 HB2 GLU 17 1HB GLU 17 5.010 -0.363 -3.568
107 HB3 GLU 17 2HB GLU 17 6.611 0.250 -3.960
108 HG2 GLU 17 1HG GLU 17 5.913 -0.405 -6.403
109 HG3 GLU 17 2HG GLU 17 4.286 -0.262 -5.739
110 H CYS 18 H CYS 18 5.364 -2.760 -2.151
111 HA CYS 18 HA CYS 18 7.953 -2.936 -0.767
112 HB2 CYS 18 1HB CYS 18 7.026 -2.039 1.252
113 HB3 CYS 18 2HB CYS 18 6.642 -0.915 -0.047
114 H GLY 19 H GLY 19 4.600 -4.025 -0.978
115 HA2 GLY 19 1HA GLY 19 4.204 -6.430 -0.991
116 HA3 GLY 19 2HA GLY 19 5.461 -6.579 0.228
117 H GLU 20 H GLU 20 2.316 -4.991 -0.292
118 HA GLU 20 HA GLU 20 1.541 -5.829 2.408
119 HB2 GLU 20 1HB GLU 20 1.665 -3.046 1.354
120 HB3 GLU 20 2HB GLU 20 0.311 -3.468 2.394
121 HG2 GLU 20 1HG GLU 20 3.141 -4.024 3.203
122 HG3 GLU 20 2HG GLU 20 2.388 -2.454 3.475
123 H ILE 21 H ILE 21 -0.513 -6.542 2.573
124 HA ILE 21 HA ILE 21 -2.202 -6.314 0.168
125 HB ILE 21 HB ILE 21 -2.291 -8.497 2.252
126 HG12 ILE 21 1HG1 ILE 21 -1.292 -8.805 -0.570
127 HG13 ILE 21 2HG1 ILE 21 -0.205 -8.335 0.733
128 HG21 ILE 21 1HG2 ILE 21 -3.561 -8.433 -0.476
129 HG22 ILE 21 2HG2 ILE 21 -3.816 -9.612 0.809
130 HG23 ILE 21 3HG2 ILE 21 -4.401 -7.960 1.000
131 HD11 ILE 21 3HD1 ILE 21 -1.061 -10.925 -0.013
132 HD12 ILE 21 1HD1 ILE 21 0.047 -10.458 1.277
133 HD13 ILE 21 2HD1 ILE 21 -1.682 -10.588 1.602
134 H PHE 22 H PHE 22 -4.190 -5.468 0.349
135 HA PHE 22 HA PHE 22 -5.230 -4.959 3.059
136 HB2 PHE 22 1HB PHE 22 -5.407 -3.144 0.645
137 HB3 PHE 22 2HB PHE 22 -6.193 -2.848 2.192
138 HD1 PHE 22 HD2 PHE 22 -4.768 -2.493 4.228
139 HD2 PHE 22 HD1 PHE 22 -3.168 -2.551 0.284
140 HE1 PHE 22 HE2 PHE 22 -2.748 -1.344 5.034
141 HE2 PHE 22 HE1 PHE 22 -1.145 -1.403 1.084
142 HZ PHE 22 HZ PHE 22 -0.933 -0.797 3.462
143 H PHE 23 H PHE 23 -7.678 -4.181 2.750
144 HA PHE 23 HA PHE 23 -8.966 -6.314 1.187
145 HB2 PHE 23 1HB PHE 23 -9.995 -4.806 3.601
146 HB3 PHE 23 2HB PHE 23 -10.864 -6.078 2.747
147 HD1 PHE 23 HD2 PHE 23 -9.137 -8.228 2.373
148 HD2 PHE 23 HD1 PHE 23 -9.194 -5.486 5.627
149 HE1 PHE 23 HE2 PHE 23 -8.074 -9.918 3.810
150 HE2 PHE 23 HE1 PHE 23 -8.130 -7.171 7.070
151 HZ PHE 23 HZ PHE 23 -7.570 -9.391 6.163
152 H GLN 24 H GLN 24 -9.388 -2.926 2.180
153 HA GLN 24 HA GLN 24 -11.344 -2.525 0.057
154 HB2 GLN 24 1HB GLN 24 -10.419 -0.885 2.394
155 HB3 GLN 24 2HB GLN 24 -11.317 -0.136 1.080
156 HG2 GLN 24 1HG GLN 24 -13.125 -1.800 1.452
157 HG3 GLN 24 2HG GLN 24 -12.240 -2.375 2.864
158 HE21 GLN 24 1HE2 GLN 24 -14.868 -1.289 2.846
159 HE22 GLN 24 2HE2 GLN 24 -14.843 0.148 3.803
160 H TYR 25 H TYR 25 -11.114 -0.938 -1.567
161 HA TYR 25 HA TYR 25 -8.563 -0.823 -2.756
162 HB2 TYR 25 1HB TYR 25 -10.487 -0.699 -4.167
163 HB3 TYR 25 2HB TYR 25 -11.113 0.700 -3.301
164 HD1 TYR 25 HD1 TYR 25 -7.906 -0.214 -5.007
165 HD2 TYR 25 HD2 TYR 25 -10.989 2.670 -4.479
166 HE1 TYR 25 HE1 TYR 25 -6.781 1.274 -6.610
167 HE2 TYR 25 HE2 TYR 25 -9.874 4.165 -6.082
168 HH TYR 25 HH TYR 25 -7.950 4.542 -7.216
169 H VAL 26 H VAL 26 -10.425 1.554 -0.909
170 HA VAL 26 HA VAL 26 -8.751 3.760 -1.237
171 HB VAL 26 HB VAL 26 -10.355 3.062 1.227
172 HG11 VAL 26 1HG1 VAL 26 -8.550 4.984 1.149
173 HG12 VAL 26 2HG1 VAL 26 -9.846 5.849 0.322
174 HG13 VAL 26 3HG1 VAL 26 -10.104 5.217 1.948
175 HG21 VAL 26 3HG2 VAL 26 -11.210 4.738 -1.127
176 HG22 VAL 26 1HG2 VAL 26 -11.635 3.038 -0.927
177 HG23 VAL 26 2HG2 VAL 26 -12.191 4.230 0.248
178 H SER 27 H SER 27 -8.503 1.000 0.909
179 HA SER 27 HA SER 27 -6.524 2.030 2.637
180 HB2 SER 27 1HB SER 27 -7.126 -0.838 1.876
181 HB3 SER 27 2HB SER 27 -6.107 -0.342 3.227
182 HG SER 27 HG SER 27 -8.112 -0.672 4.067
183 H LEU 28 H LEU 28 -6.399 0.851 -0.589
184 HA LEU 28 HA LEU 28 -3.529 0.373 -0.507
185 HB2 LEU 28 1HB LEU 28 -4.794 -1.174 -1.808
186 HB3 LEU 28 2HB LEU 28 -5.591 0.130 -2.686
187 HG LEU 28 HG LEU 28 -3.254 0.697 -3.579
188 HD11 LEU 28 1HD1 LEU 28 -2.028 -1.683 -3.701
189 HD12 LEU 28 2HD1 LEU 28 -2.744 -1.802 -2.094
190 HD13 LEU 28 3HD1 LEU 28 -1.661 -0.465 -2.480
191 HD21 LEU 28 3HD2 LEU 28 -3.471 -1.472 -5.118
192 HD22 LEU 28 1HD2 LEU 28 -4.575 -0.103 -5.239
193 HD23 LEU 28 2HD2 LEU 28 -5.046 -1.537 -4.327
194 H ILE 29 H ILE 29 -5.586 2.216 -2.763
195 HA ILE 29 HA ILE 29 -3.793 3.816 -3.958
196 HB ILE 29 HB ILE 29 -6.331 3.871 -4.196
197 HG12 ILE 29 1HG1 ILE 29 -4.974 6.570 -4.157
198 HG13 ILE 29 2HG1 ILE 29 -4.671 5.353 -5.392
199 HG21 ILE 29 1HG2 ILE 29 -6.675 4.455 -1.768
200 HG22 ILE 29 2HG2 ILE 29 -6.136 6.085 -2.169
201 HG23 ILE 29 3HG2 ILE 29 -7.587 5.426 -2.924
202 HD11 ILE 29 3HD1 ILE 29 -7.464 5.672 -5.213
203 HD12 ILE 29 1HD1 ILE 29 -6.751 7.284 -5.251
204 HD13 ILE 29 2HD1 ILE 29 -6.391 6.129 -6.535
205 H GLU 30 H GLU 30 -5.014 4.250 -0.676
206 HA GLU 30 HA GLU 30 -3.705 6.739 -0.225
207 HB2 GLU 30 1HB GLU 30 -5.079 4.720 1.500
208 HB3 GLU 30 2HB GLU 30 -4.096 5.965 2.258
209 HG2 GLU 30 1HG GLU 30 -6.496 6.369 0.493
210 HG3 GLU 30 2HG GLU 30 -6.373 6.689 2.222
211 H HIS 31 H HIS 31 -2.990 3.410 0.816
212 HA HIS 31 HA HIS 31 -0.653 3.881 2.213
213 HB2 HIS 31 1HB HIS 31 -1.450 1.700 2.380
214 HB3 HIS 31 2HB HIS 31 -1.657 1.535 0.639
215 HD1 HIS 31 HD1 HIS 31 1.105 1.647 3.229
216 HD2 HIS 31 HD2 HIS 31 0.421 0.323 -0.649
217 HE1 HIS 31 HE1 HIS 31 3.160 0.347 2.591
218 H GLN 32 H GLN 32 -1.045 3.267 -1.263
219 HA GLN 32 HA GLN 32 1.589 3.186 -2.049
220 HB2 GLN 32 1HB GLN 32 -0.749 4.444 -3.493
221 HB3 GLN 32 2HB GLN 32 0.801 4.073 -4.238
222 HG2 GLN 32 1HG GLN 32 -0.648 1.885 -2.851
223 HG3 GLN 32 2HG GLN 32 -1.254 2.437 -4.412
224 HE21 GLN 32 1HE2 GLN 32 1.603 1.216 -2.755
225 HE22 GLN 32 2HE2 GLN 32 2.319 0.480 -4.144
226 H VAL 33 H VAL 33 -0.399 6.010 -1.343
227 HA VAL 33 HA VAL 33 1.052 8.090 -2.305
228 HB VAL 33 HB VAL 33 -0.167 7.939 0.456
229 HG11 VAL 33 1HG1 VAL 33 0.792 10.263 -1.193
230 HG12 VAL 33 2HG1 VAL 33 -0.362 10.445 0.130
231 HG13 VAL 33 3HG1 VAL 33 1.257 9.821 0.450
232 HG21 VAL 33 3HG2 VAL 33 -1.481 7.590 -1.860
233 HG22 VAL 33 1HG2 VAL 33 -2.191 8.380 -0.452
234 HG23 VAL 33 2HG2 VAL 33 -1.516 9.351 -1.760
235 H LEU 34 H LEU 34 1.649 6.524 0.843
236 HA LEU 34 HA LEU 34 3.769 7.932 1.774
237 HB2 LEU 34 1HB LEU 34 3.208 4.990 1.832
238 HB3 LEU 34 2HB LEU 34 4.648 5.652 2.602
239 HG LEU 34 HG LEU 34 1.861 6.560 3.290
240 HD11 LEU 34 1HD1 LEU 34 3.016 4.947 5.328
241 HD12 LEU 34 2HD1 LEU 34 3.018 4.034 3.819
242 HD13 LEU 34 3HD1 LEU 34 1.510 4.702 4.443
243 HD21 LEU 34 3HD2 LEU 34 4.254 6.668 5.071
244 HD22 LEU 34 1HD2 LEU 34 2.814 7.687 5.057
245 HD23 LEU 34 2HD2 LEU 34 4.047 7.886 3.811
246 H HIS 35 H HIS 35 3.913 5.354 -0.658
247 HA HIS 35 HA HIS 35 6.711 5.364 -0.982
248 HB2 HIS 35 1HB HIS 35 4.526 4.571 -2.916
249 HB3 HIS 35 2HB HIS 35 6.238 4.236 -3.154
250 HD1 HIS 35 HD1 HIS 35 7.055 3.173 -0.445
251 HD2 HIS 35 HD2 HIS 35 3.479 2.152 -2.297
252 HE1 HIS 35 HE1 HIS 35 6.371 0.979 0.577
253 H MET 36 H MET 36 4.267 6.660 -3.240
254 HA MET 36 HA MET 36 6.089 8.136 -4.777
255 HB2 MET 36 1HB MET 36 4.068 9.364 -5.586
256 HB3 MET 36 2HB MET 36 3.926 7.614 -5.674
257 HG2 MET 36 1HG MET 36 2.730 7.769 -3.429
258 HG3 MET 36 2HG MET 36 2.618 9.498 -3.748
259 HE1 MET 36 3HE MET 36 0.576 5.954 -5.099
260 HE2 MET 36 1HE MET 36 1.368 6.327 -6.630
261 HE3 MET 36 2HE MET 36 2.331 6.128 -5.166
262 H GLY 37 H GLY 37 7.449 9.459 -3.648
263 HA2 GLY 37 1HA GLY 37 6.218 11.855 -2.497
264 HA3 GLY 37 2HA GLY 37 7.318 10.933 -1.483
265 H GLN 38 H GLN 38 7.995 13.464 -1.847
266 HA GLN 38 HA GLN 38 10.184 13.340 -3.814
267 HB2 GLN 38 1HB GLN 38 8.327 14.928 -4.432
268 HB3 GLN 38 2HB GLN 38 8.731 15.857 -2.994
269 HG2 GLN 38 1HG GLN 38 10.856 15.240 -4.991
270 HG3 GLN 38 2HG GLN 38 9.696 16.527 -5.316
271 HE21 GLN 38 1HE2 GLN 38 10.183 18.468 -4.588
272 HE22 GLN 38 2HE2 GLN 38 11.323 18.830 -3.342
273 H LYS 39 H LYS 39 11.789 12.750 -2.413
274 HA LYS 39 HA LYS 39 12.164 14.240 0.060
275 HB2 LYS 39 1HB LYS 39 13.909 12.627 0.557
276 HB3 LYS 39 2HB LYS 39 12.448 11.788 0.051
277 HG2 LYS 39 1HG LYS 39 13.425 11.561 -2.217
278 HG3 LYS 39 2HG LYS 39 14.917 12.274 -1.600
279 HD2 LYS 39 1HD LYS 39 13.665 9.832 -0.368
280 HD3 LYS 39 2HD LYS 39 14.817 9.735 -1.702
281 HE2 LYS 39 1HE LYS 39 16.204 9.511 0.124
282 HE3 LYS 39 2HE LYS 39 16.287 11.248 -0.170
283 HZ1 LYS 39 3HZ LYS 39 14.129 10.806 1.524
284 HZ2 LYS 39 1HZ LYS 39 15.598 11.560 1.894
285 HZ3 LYS 39 2HZ LYS 39 15.416 9.896 2.140
286 H ASN 40 H ASN 40 14.260 15.170 0.597
287 HA ASN 40 HA ASN 40 15.819 16.027 -1.741
288 HB2 ASN 40 1HB ASN 40 15.987 18.305 -0.696
289 HB3 ASN 40 2HB ASN 40 14.376 17.889 -1.271
290 HD21 ASN 40 1HD2 ASN 40 16.264 18.835 1.378
291 HD22 ASN 40 2HD2 ASN 40 15.030 18.775 2.586
292 H SER 41 H SER 41 17.957 16.930 -1.139
293 HA SER 41 HA SER 41 19.052 15.437 1.141
294 HB2 SER 41 1HB SER 41 20.276 16.445 -1.422
295 HB3 SER 41 2HB SER 41 21.274 15.939 -0.058
296 HG SER 41 HG SER 41 19.826 13.951 -0.208
297 H GLY 42 H GLY 42 20.657 16.428 2.491
298 HA2 GLY 42 1HA GLY 42 19.977 18.871 3.558
299 HA3 GLY 42 2HA GLY 42 21.567 18.142 3.724
300 HA PRO 43 HA PRO 43 21.423 21.982 0.811
301 HB2 PRO 43 1HB PRO 43 21.742 24.016 2.581
302 HB3 PRO 43 2HB PRO 43 20.156 23.451 2.042
303 HG2 PRO 43 1HG PRO 43 21.637 22.817 4.566
304 HG3 PRO 43 2HG PRO 43 19.919 23.195 4.342
305 HD2 PRO 43 1HD PRO 43 20.825 20.662 4.645
306 HD3 PRO 43 2HD PRO 43 19.409 21.057 3.650
307 H SER 44 H SER 44 23.186 21.856 3.913
308 HA SER 44 HA SER 44 25.600 22.859 2.702
309 HB2 SER 44 1HB SER 44 26.580 22.525 4.956
310 HB3 SER 44 2HB SER 44 25.083 23.457 5.010
311 HG SER 44 HG SER 44 24.945 21.923 6.597
312 H SER 45 H SER 45 27.691 21.663 3.048
313 HA SER 45 HA SER 45 27.758 19.322 1.589
314 HB2 SER 45 1HB SER 45 29.668 20.675 3.435
315 HB3 SER 45 2HB SER 45 30.030 19.018 2.954
316 HG SER 45 HG SER 45 29.290 20.828 0.962
317 H GLY 46 H GLY 46 27.144 17.308 1.995
318 HA2 GLY 46 1HA GLY 46 27.738 15.816 4.256
319 HA3 GLY 46 2HA GLY 46 26.150 16.514 4.535
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -9.230 -15.176 -13.466
2 HA2 GLY 1 1HA GLY 1 -10.072 -15.836 -10.859
3 HA3 GLY 1 2HA GLY 1 -11.426 -15.131 -11.729
4 H SER 2 H SER 2 -8.878 -17.122 -13.130
5 HA SER 2 HA SER 2 -10.654 -18.758 -14.549
6 HB2 SER 2 1HB SER 2 -8.153 -18.384 -14.965
7 HB3 SER 2 2HB SER 2 -7.878 -19.612 -13.729
8 HG SER 2 HG SER 2 -9.333 -20.955 -15.066
9 H SER 3 H SER 3 -12.223 -19.412 -12.993
10 HA SER 3 HA SER 3 -12.049 -20.631 -10.627
11 HB2 SER 3 1HB SER 3 -13.701 -21.784 -12.886
12 HB3 SER 3 2HB SER 3 -14.023 -21.937 -11.159
13 HG SER 3 HG SER 3 -14.197 -19.638 -12.790
14 H GLY 4 H GLY 4 -10.880 -22.210 -9.769
15 HA2 GLY 4 1HA GLY 4 -10.411 -24.663 -11.267
16 HA3 GLY 4 2HA GLY 4 -8.978 -23.740 -10.838
17 H SER 5 H SER 5 -11.853 -25.282 -9.449
18 HA SER 5 HA SER 5 -12.264 -25.959 -7.278
19 HB2 SER 5 1HB SER 5 -10.900 -27.861 -6.695
20 HB3 SER 5 2HB SER 5 -11.098 -27.848 -8.447
21 HG SER 5 HG SER 5 -9.031 -27.356 -8.697
22 H SER 6 H SER 6 -11.124 -23.399 -7.238
23 HA SER 6 HA SER 6 -9.318 -23.543 -4.915
24 HB2 SER 6 1HB SER 6 -8.628 -21.230 -5.539
25 HB3 SER 6 2HB SER 6 -8.265 -22.418 -6.790
26 HG SER 6 HG SER 6 -9.224 -20.810 -7.882
27 H GLY 7 H GLY 7 -12.061 -21.758 -6.297
28 HA2 GLY 7 1HA GLY 7 -13.866 -20.775 -5.264
29 HA3 GLY 7 2HA GLY 7 -13.387 -21.595 -3.785
30 H SER 8 H SER 8 -12.255 -18.921 -5.857
31 HA SER 8 HA SER 8 -11.793 -17.365 -3.398
32 HB2 SER 8 1HB SER 8 -10.049 -17.754 -5.795
33 HB3 SER 8 2HB SER 8 -10.008 -16.199 -4.964
34 HG SER 8 HG SER 8 -9.832 -18.520 -3.421
35 H ARG 9 H ARG 9 -13.705 -16.233 -3.472
36 HA ARG 9 HA ARG 9 -14.356 -14.754 -5.910
37 HB2 ARG 9 1HB ARG 9 -15.861 -15.485 -3.429
38 HB3 ARG 9 2HB ARG 9 -16.391 -14.102 -4.377
39 HG2 ARG 9 1HG ARG 9 -17.653 -15.720 -5.344
40 HG3 ARG 9 2HG ARG 9 -16.212 -15.846 -6.355
41 HD2 ARG 9 1HD ARG 9 -16.932 -18.052 -5.676
42 HD3 ARG 9 2HD ARG 9 -15.391 -17.665 -4.913
43 HE ARG 9 HE ARG 9 -17.190 -16.924 -3.044
44 HH11 ARG 9 1HH1 ARG 9 -16.742 -19.847 -4.882
45 HH12 ARG 9 2HH1 ARG 9 -17.382 -20.877 -3.645
46 HH21 ARG 9 1HH2 ARG 9 -18.034 -18.270 -1.408
47 HH22 ARG 9 2HH2 ARG 9 -18.117 -19.979 -1.669
48 H GLU 10 H GLU 10 -12.061 -13.830 -4.774
49 HA GLU 10 HA GLU 10 -12.881 -11.162 -3.914
50 HB2 GLU 10 1HB GLU 10 -11.205 -13.061 -2.334
51 HB3 GLU 10 2HB GLU 10 -10.797 -11.351 -2.290
52 HG2 GLU 10 1HG GLU 10 -12.953 -10.790 -1.427
53 HG3 GLU 10 2HG GLU 10 -13.526 -12.441 -1.652
54 H LYS 11 H LYS 11 -11.454 -9.525 -4.481
55 HA LYS 11 HA LYS 11 -9.193 -10.354 -6.181
56 HB2 LYS 11 1HB LYS 11 -9.636 -8.122 -7.369
57 HB3 LYS 11 2HB LYS 11 -10.751 -9.446 -7.681
58 HG2 LYS 11 1HG LYS 11 -11.385 -7.510 -5.509
59 HG3 LYS 11 2HG LYS 11 -11.630 -7.032 -7.191
60 HD2 LYS 11 1HD LYS 11 -13.281 -8.604 -7.537
61 HD3 LYS 11 2HD LYS 11 -12.691 -9.659 -6.251
62 HE2 LYS 11 1HE LYS 11 -14.629 -8.775 -5.338
63 HE3 LYS 11 2HE LYS 11 -13.377 -7.725 -4.677
64 HZ1 LYS 11 3HZ LYS 11 -14.848 -6.178 -5.419
65 HZ2 LYS 11 1HZ LYS 11 -15.425 -7.142 -6.683
66 HZ3 LYS 11 2HZ LYS 11 -13.935 -6.357 -6.831
67 H SER 12 H SER 12 -8.250 -10.197 -3.868
68 HA SER 12 HA SER 12 -7.848 -7.802 -2.543
69 HB2 SER 12 1HB SER 12 -5.839 -10.052 -2.806
70 HB3 SER 12 2HB SER 12 -5.893 -8.842 -1.525
71 HG SER 12 HG SER 12 -8.187 -10.366 -1.977
72 H HIS 13 H HIS 13 -5.814 -6.534 -2.386
73 HA HIS 13 HA HIS 13 -4.594 -6.159 -5.043
74 HB2 HIS 13 1HB HIS 13 -5.468 -4.117 -3.005
75 HB3 HIS 13 2HB HIS 13 -4.323 -3.729 -4.285
76 HD1 HIS 13 HD1 HIS 13 -5.512 -4.886 -6.737
77 HD2 HIS 13 HD2 HIS 13 -7.852 -3.132 -3.785
78 HE1 HIS 13 HE1 HIS 13 -7.655 -4.229 -7.879
79 H GLN 14 H GLN 14 -2.520 -6.690 -5.046
80 HA GLN 14 HA GLN 14 -1.007 -6.587 -2.542
81 HB2 GLN 14 1HB GLN 14 -1.110 -8.668 -4.034
82 HB3 GLN 14 2HB GLN 14 -0.064 -7.786 -5.138
83 HG2 GLN 14 1HG GLN 14 1.656 -7.630 -3.470
84 HG3 GLN 14 2HG GLN 14 0.598 -8.356 -2.260
85 HE21 GLN 14 1HE2 GLN 14 -0.147 -10.566 -2.707
86 HE22 GLN 14 2HE2 GLN 14 0.934 -11.651 -3.506
87 H CYS 15 H CYS 15 0.613 -5.190 -2.198
88 HA CYS 15 HA CYS 15 1.070 -3.112 -4.159
89 HB2 CYS 15 1HB CYS 15 0.805 -2.501 -1.807
90 HB3 CYS 15 2HB CYS 15 2.191 -3.497 -1.375
91 H ARG 16 H ARG 16 2.529 -3.349 -5.708
92 HA ARG 16 HA ARG 16 4.748 -5.202 -5.360
93 HB2 ARG 16 1HB ARG 16 3.521 -3.789 -7.697
94 HB3 ARG 16 2HB ARG 16 5.158 -4.417 -7.827
95 HG2 ARG 16 1HG ARG 16 3.916 -6.162 -8.654
96 HG3 ARG 16 2HG ARG 16 4.094 -6.624 -6.960
97 HD2 ARG 16 1HD ARG 16 1.897 -5.981 -6.441
98 HD3 ARG 16 2HD ARG 16 1.731 -5.046 -7.926
99 HE ARG 16 HE ARG 16 2.165 -7.826 -8.428
100 HH11 ARG 16 1HH1 ARG 16 -0.242 -5.453 -7.595
101 HH12 ARG 16 2HH1 ARG 16 -1.560 -6.371 -8.245
102 HH21 ARG 16 1HH2 ARG 16 0.439 -9.043 -9.288
103 HH22 ARG 16 2HH2 ARG 16 -1.172 -8.413 -9.207
104 H GLU 17 H GLU 17 4.991 -3.027 -3.696
105 HA GLU 17 HA GLU 17 7.325 -1.678 -4.861
106 HB2 GLU 17 1HB GLU 17 4.923 -0.434 -3.606
107 HB3 GLU 17 2HB GLU 17 6.490 0.302 -3.303
108 HG2 GLU 17 1HG GLU 17 5.699 1.459 -5.142
109 HG3 GLU 17 2HG GLU 17 6.779 0.260 -5.851
110 H CYS 18 H CYS 18 5.602 -2.792 -2.015
111 HA CYS 18 HA CYS 18 8.160 -2.824 -0.559
112 HB2 CYS 18 1HB CYS 18 6.859 -2.381 1.533
113 HB3 CYS 18 2HB CYS 18 6.873 -1.033 0.401
114 H GLY 19 H GLY 19 4.878 -4.176 -0.745
115 HA2 GLY 19 1HA GLY 19 4.809 -6.646 -1.024
116 HA3 GLY 19 2HA GLY 19 5.990 -6.718 0.276
117 H GLU 20 H GLU 20 2.682 -5.668 -0.463
118 HA GLU 20 HA GLU 20 1.824 -6.703 2.121
119 HB2 GLU 20 1HB GLU 20 2.392 -4.243 2.377
120 HB3 GLU 20 2HB GLU 20 1.058 -3.908 1.282
121 HG2 GLU 20 1HG GLU 20 0.581 -3.718 3.756
122 HG3 GLU 20 2HG GLU 20 -0.539 -4.690 2.803
123 H ILE 21 H ILE 21 -0.516 -6.917 2.283
124 HA ILE 21 HA ILE 21 -1.841 -6.986 -0.348
125 HB ILE 21 HB ILE 21 -2.147 -9.033 1.852
126 HG12 ILE 21 1HG1 ILE 21 -0.974 -9.444 -0.899
127 HG13 ILE 21 2HG1 ILE 21 0.017 -9.056 0.504
128 HG21 ILE 21 1HG2 ILE 21 -4.179 -8.515 0.457
129 HG22 ILE 21 2HG2 ILE 21 -3.280 -9.119 -0.934
130 HG23 ILE 21 3HG2 ILE 21 -3.638 -10.193 0.419
131 HD11 ILE 21 3HD1 ILE 21 -0.279 -11.106 1.450
132 HD12 ILE 21 1HD1 ILE 21 -1.851 -11.355 0.691
133 HD13 ILE 21 2HD1 ILE 21 -0.374 -11.534 -0.258
134 H PHE 22 H PHE 22 -3.867 -6.186 -0.452
135 HA PHE 22 HA PHE 22 -5.168 -5.431 2.081
136 HB2 PHE 22 1HB PHE 22 -5.124 -3.834 -0.489
137 HB3 PHE 22 2HB PHE 22 -6.006 -3.398 0.972
138 HD1 PHE 22 HD1 PHE 22 -2.717 -3.626 -0.604
139 HD2 PHE 22 HD2 PHE 22 -4.855 -2.541 2.913
140 HE1 PHE 22 HE1 PHE 22 -0.735 -2.428 0.226
141 HE2 PHE 22 HE2 PHE 22 -2.876 -1.340 3.748
142 HZ PHE 22 HZ PHE 22 -0.813 -1.282 2.405
143 H PHE 23 H PHE 23 -7.564 -4.638 1.385
144 HA PHE 23 HA PHE 23 -8.690 -6.858 -0.192
145 HB2 PHE 23 1HB PHE 23 -9.749 -5.491 2.281
146 HB3 PHE 23 2HB PHE 23 -10.749 -6.520 1.261
147 HD1 PHE 23 HD1 PHE 23 -7.347 -6.692 2.796
148 HD2 PHE 23 HD2 PHE 23 -11.056 -8.642 2.050
149 HE1 PHE 23 HE1 PHE 23 -6.549 -8.672 4.020
150 HE2 PHE 23 HE2 PHE 23 -10.264 -10.624 3.274
151 HZ PHE 23 HZ PHE 23 -8.008 -10.641 4.261
152 H GLN 24 H GLN 24 -9.383 -3.538 0.898
153 HA GLN 24 HA GLN 24 -11.094 -3.141 -1.436
154 HB2 GLN 24 1HB GLN 24 -11.582 -2.406 1.046
155 HB3 GLN 24 2HB GLN 24 -10.597 -1.016 0.607
156 HG2 GLN 24 1HG GLN 24 -12.106 -0.327 -1.047
157 HG3 GLN 24 2HG GLN 24 -12.942 -1.879 -1.047
158 HE21 GLN 24 1HE2 GLN 24 -11.983 0.357 1.533
159 HE22 GLN 24 2HE2 GLN 24 -13.565 0.531 2.205
160 H TYR 25 H TYR 25 -10.886 -1.072 -2.636
161 HA TYR 25 HA TYR 25 -8.159 -0.731 -3.488
162 HB2 TYR 25 1HB TYR 25 -9.902 -0.751 -5.165
163 HB3 TYR 25 2HB TYR 25 -10.729 0.590 -4.380
164 HD1 TYR 25 HD1 TYR 25 -7.532 -0.301 -6.069
165 HD2 TYR 25 HD2 TYR 25 -10.267 2.785 -5.021
166 HE1 TYR 25 HE1 TYR 25 -6.268 1.283 -7.462
167 HE2 TYR 25 HE2 TYR 25 -9.011 4.378 -6.412
168 HH TYR 25 HH TYR 25 -6.277 3.332 -8.391
169 H VAL 26 H VAL 26 -10.589 1.227 -1.827
170 HA VAL 26 HA VAL 26 -9.272 3.667 -1.758
171 HB VAL 26 HB VAL 26 -10.959 2.507 0.463
172 HG11 VAL 26 1HG1 VAL 26 -9.718 5.104 0.008
173 HG12 VAL 26 2HG1 VAL 26 -11.454 5.204 0.309
174 HG13 VAL 26 3HG1 VAL 26 -10.398 4.416 1.482
175 HG21 VAL 26 3HG2 VAL 26 -12.171 4.354 -1.479
176 HG22 VAL 26 1HG2 VAL 26 -11.760 2.759 -2.109
177 HG23 VAL 26 2HG2 VAL 26 -12.835 2.907 -0.719
178 H SER 27 H SER 27 -8.663 0.754 0.041
179 HA SER 27 HA SER 27 -7.019 2.002 2.038
180 HB2 SER 27 1HB SER 27 -6.822 -0.096 2.984
181 HB3 SER 27 2HB SER 27 -8.324 -0.299 2.083
182 HG SER 27 HG SER 27 -6.908 -1.107 0.341
183 H LEU 28 H LEU 28 -6.505 0.392 -1.039
184 HA LEU 28 HA LEU 28 -3.670 0.212 -0.810
185 HB2 LEU 28 1HB LEU 28 -4.958 -1.231 -2.301
186 HB3 LEU 28 2HB LEU 28 -5.438 0.173 -3.252
187 HG LEU 28 HG LEU 28 -2.991 0.507 -3.775
188 HD11 LEU 28 1HD1 LEU 28 -2.606 -1.362 -1.804
189 HD12 LEU 28 2HD1 LEU 28 -1.406 -0.852 -2.991
190 HD13 LEU 28 3HD1 LEU 28 -2.375 -2.297 -3.282
191 HD21 LEU 28 3HD2 LEU 28 -3.009 -1.651 -5.282
192 HD22 LEU 28 1HD2 LEU 28 -4.134 -0.325 -5.573
193 HD23 LEU 28 2HD2 LEU 28 -4.673 -1.764 -4.708
194 H ILE 29 H ILE 29 -5.794 2.374 -2.688
195 HA ILE 29 HA ILE 29 -3.875 4.018 -3.795
196 HB ILE 29 HB ILE 29 -6.386 4.068 -4.194
197 HG12 ILE 29 1HG1 ILE 29 -5.137 6.787 -3.784
198 HG13 ILE 29 2HG1 ILE 29 -4.662 5.706 -5.090
199 HG21 ILE 29 1HG2 ILE 29 -7.740 5.525 -2.865
200 HG22 ILE 29 2HG2 ILE 29 -6.960 4.369 -1.787
201 HG23 ILE 29 3HG2 ILE 29 -6.349 6.020 -1.900
202 HD11 ILE 29 3HD1 ILE 29 -7.520 6.022 -5.013
203 HD12 ILE 29 1HD1 ILE 29 -6.709 7.584 -5.113
204 HD13 ILE 29 2HD1 ILE 29 -6.384 6.343 -6.323
205 H GLU 30 H GLU 30 -5.350 4.206 -0.585
206 HA GLU 30 HA GLU 30 -4.183 6.649 0.192
207 HB2 GLU 30 1HB GLU 30 -6.070 5.164 1.292
208 HB3 GLU 30 2HB GLU 30 -4.718 4.505 2.202
209 HG2 GLU 30 1HG GLU 30 -4.161 6.988 2.689
210 HG3 GLU 30 2HG GLU 30 -5.835 7.272 2.217
211 H HIS 31 H HIS 31 -3.168 3.288 0.757
212 HA HIS 31 HA HIS 31 -0.868 3.837 2.243
213 HB2 HIS 31 1HB HIS 31 -1.511 1.599 2.271
214 HB3 HIS 31 2HB HIS 31 -1.728 1.536 0.524
215 HD1 HIS 31 HD1 HIS 31 1.113 1.829 3.032
216 HD2 HIS 31 HD2 HIS 31 0.353 0.405 -0.795
217 HE1 HIS 31 HE1 HIS 31 3.232 0.684 2.308
218 H GLN 32 H GLN 32 -1.295 3.478 -1.260
219 HA GLN 32 HA GLN 32 1.268 3.549 -2.168
220 HB2 GLN 32 1HB GLN 32 -1.148 4.980 -3.276
221 HB3 GLN 32 2HB GLN 32 0.376 4.841 -4.142
222 HG2 GLN 32 1HG GLN 32 0.041 2.282 -3.684
223 HG3 GLN 32 2HG GLN 32 -1.649 2.756 -3.518
224 HE21 GLN 32 1HE2 GLN 32 -2.735 2.427 -5.308
225 HE22 GLN 32 2HE2 GLN 32 -2.153 2.656 -6.918
226 H VAL 33 H VAL 33 -0.678 6.357 -1.202
227 HA VAL 33 HA VAL 33 0.928 8.448 -1.851
228 HB VAL 33 HB VAL 33 -0.528 8.100 0.773
229 HG11 VAL 33 1HG1 VAL 33 -0.446 10.802 -0.043
230 HG12 VAL 33 2HG1 VAL 33 0.298 10.069 1.380
231 HG13 VAL 33 3HG1 VAL 33 1.202 10.181 -0.131
232 HG21 VAL 33 3HG2 VAL 33 -1.482 9.605 -1.645
233 HG22 VAL 33 1HG2 VAL 33 -1.816 7.888 -1.422
234 HG23 VAL 33 2HG2 VAL 33 -2.410 9.062 -0.247
235 H LEU 34 H LEU 34 1.238 6.478 1.098
236 HA LEU 34 HA LEU 34 3.265 7.681 2.415
237 HB2 LEU 34 1HB LEU 34 2.833 4.752 1.901
238 HB3 LEU 34 2HB LEU 34 4.078 5.347 2.997
239 HG LEU 34 HG LEU 34 1.141 5.933 3.332
240 HD11 LEU 34 1HD1 LEU 34 2.571 3.997 5.070
241 HD12 LEU 34 2HD1 LEU 34 2.035 3.450 3.481
242 HD13 LEU 34 3HD1 LEU 34 0.864 4.086 4.636
243 HD21 LEU 34 3HD2 LEU 34 2.398 6.054 5.774
244 HD22 LEU 34 1HD2 LEU 34 1.964 7.434 4.765
245 HD23 LEU 34 2HD2 LEU 34 3.590 6.755 4.678
246 H HIS 35 H HIS 35 3.703 5.420 -0.298
247 HA HIS 35 HA HIS 35 6.498 5.546 -0.404
248 HB2 HIS 35 1HB HIS 35 4.507 5.030 -2.622
249 HB3 HIS 35 2HB HIS 35 6.240 4.740 -2.746
250 HD1 HIS 35 HD1 HIS 35 7.020 3.144 -0.459
251 HD2 HIS 35 HD2 HIS 35 3.253 2.697 -2.154
252 HE1 HIS 35 HE1 HIS 35 6.233 0.861 0.243
253 H MET 36 H MET 36 4.139 7.247 -2.476
254 HA MET 36 HA MET 36 6.219 9.082 -3.351
255 HB2 MET 36 1HB MET 36 4.082 10.040 -4.600
256 HB3 MET 36 2HB MET 36 4.934 8.617 -5.185
257 HG2 MET 36 1HG MET 36 3.310 7.161 -4.208
258 HG3 MET 36 2HG MET 36 2.520 8.512 -3.398
259 HE1 MET 36 3HE MET 36 1.884 10.520 -4.565
260 HE2 MET 36 1HE MET 36 1.930 10.743 -6.314
261 HE3 MET 36 2HE MET 36 0.435 10.234 -5.529
262 H GLY 37 H GLY 37 6.648 10.273 -1.476
263 HA2 GLY 37 1HA GLY 37 5.026 12.570 -1.098
264 HA3 GLY 37 2HA GLY 37 4.795 11.444 0.231
265 H GLN 38 H GLN 38 6.919 10.615 1.200
266 HA GLN 38 HA GLN 38 8.702 12.929 1.536
267 HB2 GLN 38 1HB GLN 38 7.554 12.285 3.580
268 HB3 GLN 38 2HB GLN 38 8.114 10.628 3.405
269 HG2 GLN 38 1HG GLN 38 10.402 11.327 3.742
270 HG3 GLN 38 2HG GLN 38 9.899 13.015 3.817
271 HE21 GLN 38 1HE2 GLN 38 11.349 11.941 5.848
272 HE22 GLN 38 2HE2 GLN 38 10.364 11.775 7.258
273 H LYS 39 H LYS 39 10.816 12.768 1.082
274 HA LYS 39 HA LYS 39 11.860 10.103 0.373
275 HB2 LYS 39 1HB LYS 39 12.244 12.781 -0.928
276 HB3 LYS 39 2HB LYS 39 13.461 11.524 -1.107
277 HG2 LYS 39 1HG LYS 39 12.202 11.126 -2.960
278 HG3 LYS 39 2HG LYS 39 11.381 10.073 -1.806
279 HD2 LYS 39 1HD LYS 39 9.654 11.237 -2.891
280 HD3 LYS 39 2HD LYS 39 9.849 12.062 -1.342
281 HE2 LYS 39 1HE LYS 39 10.815 13.921 -2.303
282 HE3 LYS 39 2HE LYS 39 11.376 13.029 -3.716
283 HZ1 LYS 39 3HZ LYS 39 9.066 12.873 -4.461
284 HZ2 LYS 39 1HZ LYS 39 9.562 14.483 -4.304
285 HZ3 LYS 39 2HZ LYS 39 8.565 13.787 -3.129
286 H ASN 40 H ASN 40 13.656 9.437 1.379
287 HA ASN 40 HA ASN 40 14.646 10.555 3.669
288 HB2 ASN 40 1HB ASN 40 16.384 8.995 1.757
289 HB3 ASN 40 2HB ASN 40 16.489 9.048 3.514
290 HD21 ASN 40 1HD2 ASN 40 14.910 7.673 0.781
291 HD22 ASN 40 2HD2 ASN 40 13.974 6.502 1.640
292 H SER 41 H SER 41 16.350 11.886 4.234
293 HA SER 41 HA SER 41 17.403 13.553 2.048
294 HB2 SER 41 1HB SER 41 17.632 15.349 3.687
295 HB3 SER 41 2HB SER 41 15.975 14.745 3.685
296 HG SER 41 HG SER 41 17.975 14.474 5.622
297 H GLY 42 H GLY 42 18.255 12.039 5.143
298 HA2 GLY 42 1HA GLY 42 20.773 11.159 4.306
299 HA3 GLY 42 2HA GLY 42 20.994 12.715 5.093
300 HA PRO 43 HA PRO 43 21.180 9.373 8.315
301 HB2 PRO 43 1HB PRO 43 23.455 10.289 9.481
302 HB3 PRO 43 2HB PRO 43 23.460 9.175 8.108
303 HG2 PRO 43 1HG PRO 43 23.852 12.143 8.142
304 HG3 PRO 43 2HG PRO 43 24.740 10.907 7.230
305 HD2 PRO 43 1HD PRO 43 22.798 12.427 6.112
306 HD3 PRO 43 2HD PRO 43 23.111 10.755 5.607
307 H SER 44 H SER 44 20.862 12.739 8.171
308 HA SER 44 HA SER 44 21.053 13.774 10.648
309 HB2 SER 44 1HB SER 44 19.365 15.335 10.089
310 HB3 SER 44 2HB SER 44 20.057 14.846 8.542
311 HG SER 44 HG SER 44 17.544 14.743 9.235
312 H SER 45 H SER 45 19.779 13.916 12.520
313 HA SER 45 HA SER 45 18.301 11.484 13.103
314 HB2 SER 45 1HB SER 45 20.056 12.621 14.635
315 HB3 SER 45 2HB SER 45 18.753 13.733 15.051
316 HG SER 45 HG SER 45 19.180 11.490 16.192
317 H GLY 46 H GLY 46 16.390 11.986 14.787
318 HA2 GLY 46 1HA GLY 46 14.322 12.956 15.171
319 HA3 GLY 46 2HA GLY 46 14.770 14.260 14.082
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -10.773 -11.585 -23.275
2 HA2 GLY 1 1HA GLY 1 -8.660 -11.969 -21.307
3 HA3 GLY 1 2HA GLY 1 -9.258 -10.326 -21.483
4 H SER 2 H SER 2 -11.429 -9.859 -20.913
5 HA SER 2 HA SER 2 -12.445 -11.662 -18.852
6 HB2 SER 2 1HB SER 2 -12.141 -9.309 -18.238
7 HB3 SER 2 2HB SER 2 -13.222 -8.816 -19.541
8 HG SER 2 HG SER 2 -14.676 -10.456 -18.287
9 H SER 3 H SER 3 -13.997 -13.054 -19.325
10 HA SER 3 HA SER 3 -15.937 -12.343 -21.427
11 HB2 SER 3 1HB SER 3 -16.071 -14.694 -22.040
12 HB3 SER 3 2HB SER 3 -14.391 -14.165 -22.117
13 HG SER 3 HG SER 3 -15.533 -15.473 -19.875
14 H GLY 4 H GLY 4 -15.397 -14.012 -18.365
15 HA2 GLY 4 1HA GLY 4 -18.168 -14.666 -17.984
16 HA3 GLY 4 2HA GLY 4 -16.887 -14.812 -16.789
17 H SER 5 H SER 5 -17.444 -13.715 -15.034
18 HA SER 5 HA SER 5 -18.749 -11.097 -15.373
19 HB2 SER 5 1HB SER 5 -18.834 -13.028 -13.045
20 HB3 SER 5 2HB SER 5 -19.558 -11.420 -13.031
21 HG SER 5 HG SER 5 -20.199 -13.294 -15.040
22 H SER 6 H SER 6 -16.295 -12.848 -13.516
23 HA SER 6 HA SER 6 -14.531 -12.138 -12.256
24 HB2 SER 6 1HB SER 6 -14.586 -10.118 -14.494
25 HB3 SER 6 2HB SER 6 -13.322 -10.111 -13.264
26 HG SER 6 HG SER 6 -12.420 -11.503 -14.566
27 H GLY 7 H GLY 7 -16.900 -11.454 -11.081
28 HA2 GLY 7 1HA GLY 7 -16.243 -8.832 -9.894
29 HA3 GLY 7 2HA GLY 7 -17.900 -9.257 -10.294
30 H SER 8 H SER 8 -18.673 -11.355 -9.266
31 HA SER 8 HA SER 8 -18.886 -11.160 -6.582
32 HB2 SER 8 1HB SER 8 -19.326 -13.646 -6.554
33 HB3 SER 8 2HB SER 8 -20.243 -12.747 -7.762
34 HG SER 8 HG SER 8 -19.407 -14.090 -9.134
35 H ARG 9 H ARG 9 -16.552 -13.346 -8.167
36 HA ARG 9 HA ARG 9 -15.213 -14.314 -6.006
37 HB2 ARG 9 1HB ARG 9 -14.017 -13.419 -8.634
38 HB3 ARG 9 2HB ARG 9 -13.195 -14.439 -7.461
39 HG2 ARG 9 1HG ARG 9 -15.845 -15.227 -8.611
40 HG3 ARG 9 2HG ARG 9 -14.336 -15.555 -9.464
41 HD2 ARG 9 1HD ARG 9 -14.818 -16.388 -6.614
42 HD3 ARG 9 2HD ARG 9 -15.225 -17.413 -7.989
43 HE ARG 9 HE ARG 9 -12.612 -16.733 -8.390
44 HH11 ARG 9 1HH1 ARG 9 -14.401 -18.234 -5.808
45 HH12 ARG 9 2HH1 ARG 9 -13.065 -19.194 -5.265
46 HH21 ARG 9 1HH2 ARG 9 -10.845 -17.992 -7.685
47 HH22 ARG 9 2HH2 ARG 9 -11.043 -19.055 -6.333
48 H GLU 10 H GLU 10 -13.461 -13.696 -4.734
49 HA GLU 10 HA GLU 10 -13.173 -10.809 -4.424
50 HB2 GLU 10 1HB GLU 10 -12.504 -13.168 -2.683
51 HB3 GLU 10 2HB GLU 10 -11.868 -11.568 -2.331
52 HG2 GLU 10 1HG GLU 10 -14.303 -10.788 -2.414
53 HG3 GLU 10 2HG GLU 10 -14.714 -12.499 -2.311
54 H LYS 11 H LYS 11 -11.467 -9.735 -5.152
55 HA LYS 11 HA LYS 11 -8.954 -11.202 -5.597
56 HB2 LYS 11 1HB LYS 11 -10.344 -9.263 -7.437
57 HB3 LYS 11 2HB LYS 11 -8.627 -9.617 -7.580
58 HG2 LYS 11 1HG LYS 11 -9.467 -12.102 -7.633
59 HG3 LYS 11 2HG LYS 11 -10.977 -11.349 -8.151
60 HD2 LYS 11 1HD LYS 11 -9.847 -11.816 -10.147
61 HD3 LYS 11 2HD LYS 11 -9.545 -10.100 -9.869
62 HE2 LYS 11 1HE LYS 11 -7.462 -10.985 -10.480
63 HE3 LYS 11 2HE LYS 11 -7.390 -10.836 -8.725
64 HZ1 LYS 11 3HZ LYS 11 -7.175 -13.027 -8.488
65 HZ2 LYS 11 1HZ LYS 11 -6.822 -13.075 -10.142
66 HZ3 LYS 11 2HZ LYS 11 -8.397 -13.376 -9.605
67 H SER 12 H SER 12 -7.469 -10.409 -4.270
68 HA SER 12 HA SER 12 -7.694 -7.747 -3.180
69 HB2 SER 12 1HB SER 12 -5.549 -9.850 -2.801
70 HB3 SER 12 2HB SER 12 -5.693 -8.357 -1.873
71 HG SER 12 HG SER 12 -6.975 -10.704 -1.532
72 H HIS 13 H HIS 13 -5.587 -6.428 -3.050
73 HA HIS 13 HA HIS 13 -4.263 -6.425 -5.681
74 HB2 HIS 13 1HB HIS 13 -5.351 -4.086 -4.115
75 HB3 HIS 13 2HB HIS 13 -4.188 -3.895 -5.424
76 HD1 HIS 13 HD1 HIS 13 -5.130 -5.281 -7.731
77 HD2 HIS 13 HD2 HIS 13 -7.863 -3.732 -5.012
78 HE1 HIS 13 HE1 HIS 13 -7.293 -5.074 -8.996
79 H GLN 14 H GLN 14 -2.524 -7.583 -4.707
80 HA GLN 14 HA GLN 14 -1.127 -6.775 -2.423
81 HB2 GLN 14 1HB GLN 14 -0.930 -8.967 -3.726
82 HB3 GLN 14 2HB GLN 14 0.159 -8.102 -4.802
83 HG2 GLN 14 1HG GLN 14 1.664 -7.649 -2.958
84 HG3 GLN 14 2HG GLN 14 0.558 -8.443 -1.839
85 HE21 GLN 14 1HE2 GLN 14 2.419 -9.765 -1.324
86 HE22 GLN 14 2HE2 GLN 14 2.790 -11.129 -2.317
87 H CYS 15 H CYS 15 0.611 -5.447 -2.074
88 HA CYS 15 HA CYS 15 0.990 -3.329 -4.007
89 HB2 CYS 15 1HB CYS 15 0.775 -2.725 -1.667
90 HB3 CYS 15 2HB CYS 15 2.136 -3.758 -1.242
91 H ARG 16 H ARG 16 2.528 -3.303 -5.496
92 HA ARG 16 HA ARG 16 4.759 -5.186 -5.264
93 HB2 ARG 16 1HB ARG 16 3.276 -5.097 -7.327
94 HB3 ARG 16 2HB ARG 16 4.015 -3.541 -7.679
95 HG2 ARG 16 1HG ARG 16 6.176 -4.548 -7.904
96 HG3 ARG 16 2HG ARG 16 5.554 -6.106 -7.355
97 HD2 ARG 16 1HD ARG 16 5.813 -6.051 -9.786
98 HD3 ARG 16 2HD ARG 16 4.124 -6.242 -9.321
99 HE ARG 16 HE ARG 16 4.429 -3.554 -9.640
100 HH11 ARG 16 1HH1 ARG 16 5.020 -6.340 -11.642
101 HH12 ARG 16 2HH1 ARG 16 4.713 -5.501 -13.126
102 HH21 ARG 16 1HH2 ARG 16 4.023 -2.438 -11.587
103 HH22 ARG 16 2HH2 ARG 16 4.147 -3.281 -13.094
104 H GLU 17 H GLU 17 4.949 -3.011 -3.576
105 HA GLU 17 HA GLU 17 7.207 -1.560 -4.774
106 HB2 GLU 17 1HB GLU 17 4.796 -0.455 -3.427
107 HB3 GLU 17 2HB GLU 17 6.338 0.317 -3.084
108 HG2 GLU 17 1HG GLU 17 5.084 -0.053 -5.794
109 HG3 GLU 17 2HG GLU 17 5.216 1.454 -4.889
110 H CYS 18 H CYS 18 5.634 -2.811 -1.895
111 HA CYS 18 HA CYS 18 8.256 -2.873 -0.568
112 HB2 CYS 18 1HB CYS 18 7.097 -2.397 1.596
113 HB3 CYS 18 2HB CYS 18 7.071 -1.048 0.465
114 H GLY 19 H GLY 19 4.919 -4.109 -0.492
115 HA2 GLY 19 1HA GLY 19 4.853 -6.616 -0.814
116 HA3 GLY 19 2HA GLY 19 5.998 -6.667 0.518
117 H GLU 20 H GLU 20 2.721 -5.613 -0.337
118 HA GLU 20 HA GLU 20 1.838 -6.461 2.324
119 HB2 GLU 20 1HB GLU 20 1.458 -3.747 1.099
120 HB3 GLU 20 2HB GLU 20 0.275 -4.384 2.234
121 HG2 GLU 20 1HG GLU 20 3.170 -3.770 2.724
122 HG3 GLU 20 2HG GLU 20 1.755 -3.045 3.484
123 H ILE 21 H ILE 21 -0.662 -6.386 2.399
124 HA ILE 21 HA ILE 21 -1.872 -6.965 -0.195
125 HB ILE 21 HB ILE 21 -1.974 -8.912 2.113
126 HG12 ILE 21 1HG1 ILE 21 -0.827 -9.351 -0.645
127 HG13 ILE 21 2HG1 ILE 21 0.153 -8.831 0.721
128 HG21 ILE 21 1HG2 ILE 21 -3.665 -9.991 1.106
129 HG22 ILE 21 2HG2 ILE 21 -3.945 -8.447 0.304
130 HG23 ILE 21 3HG2 ILE 21 -3.018 -9.708 -0.509
131 HD11 ILE 21 3HD1 ILE 21 0.477 -10.991 1.111
132 HD12 ILE 21 1HD1 ILE 21 -1.183 -11.024 1.703
133 HD13 ILE 21 2HD1 ILE 21 -0.833 -11.466 0.032
134 H PHE 22 H PHE 22 -3.565 -5.648 -0.258
135 HA PHE 22 HA PHE 22 -5.101 -5.193 2.208
136 HB2 PHE 22 1HB PHE 22 -5.122 -3.531 -0.317
137 HB3 PHE 22 2HB PHE 22 -5.867 -3.122 1.225
138 HD1 PHE 22 HD2 PHE 22 -4.144 -3.157 3.265
139 HD2 PHE 22 HD1 PHE 22 -3.126 -2.535 -0.820
140 HE1 PHE 22 HE2 PHE 22 -2.080 -2.011 3.958
141 HE2 PHE 22 HE1 PHE 22 -1.059 -1.388 -0.134
142 HZ PHE 22 HZ PHE 22 -0.535 -1.124 2.257
143 H PHE 23 H PHE 23 -7.491 -4.535 1.584
144 HA PHE 23 HA PHE 23 -8.512 -6.597 -0.258
145 HB2 PHE 23 1HB PHE 23 -9.957 -5.634 2.210
146 HB3 PHE 23 2HB PHE 23 -10.336 -7.034 1.212
147 HD1 PHE 23 HD2 PHE 23 -8.987 -9.065 1.355
148 HD2 PHE 23 HD1 PHE 23 -8.252 -5.722 3.885
149 HE1 PHE 23 HE2 PHE 23 -7.636 -10.489 2.839
150 HE2 PHE 23 HE1 PHE 23 -6.899 -7.140 5.372
151 HZ PHE 23 HZ PHE 23 -6.590 -9.527 4.850
152 H GLN 24 H GLN 24 -9.173 -3.455 1.246
153 HA GLN 24 HA GLN 24 -11.157 -2.863 -0.814
154 HB2 GLN 24 1HB GLN 24 -10.352 -1.446 1.723
155 HB3 GLN 24 2HB GLN 24 -11.464 -0.745 0.555
156 HG2 GLN 24 1HG GLN 24 -12.901 -2.771 0.836
157 HG3 GLN 24 2HG GLN 24 -11.842 -3.259 2.158
158 HE21 GLN 24 1HE2 GLN 24 -14.108 -3.116 3.140
159 HE22 GLN 24 2HE2 GLN 24 -14.504 -1.615 3.897
160 H TYR 25 H TYR 25 -10.766 -1.595 -2.514
161 HA TYR 25 HA TYR 25 -8.235 -0.868 -3.333
162 HB2 TYR 25 1HB TYR 25 -10.234 -0.979 -4.802
163 HB3 TYR 25 2HB TYR 25 -10.813 0.523 -4.089
164 HD1 TYR 25 HD1 TYR 25 -8.189 -0.974 -6.207
165 HD2 TYR 25 HD2 TYR 25 -9.924 2.633 -4.764
166 HE1 TYR 25 HE1 TYR 25 -6.908 0.302 -7.875
167 HE2 TYR 25 HE2 TYR 25 -8.650 3.919 -6.429
168 HH TYR 25 HH TYR 25 -6.306 2.345 -8.565
169 H VAL 26 H VAL 26 -10.590 1.016 -1.501
170 HA VAL 26 HA VAL 26 -9.406 3.516 -1.567
171 HB VAL 26 HB VAL 26 -10.839 2.223 0.757
172 HG11 VAL 26 1HG1 VAL 26 -9.601 4.130 1.541
173 HG12 VAL 26 2HG1 VAL 26 -10.192 5.115 0.202
174 HG13 VAL 26 3HG1 VAL 26 -11.309 4.559 1.449
175 HG21 VAL 26 3HG2 VAL 26 -12.558 4.019 -0.373
176 HG22 VAL 26 1HG2 VAL 26 -11.723 3.370 -1.785
177 HG23 VAL 26 2HG2 VAL 26 -12.561 2.282 -0.679
178 H SER 27 H SER 27 -8.569 0.702 0.362
179 HA SER 27 HA SER 27 -6.774 2.019 2.118
180 HB2 SER 27 1HB SER 27 -7.312 -0.828 1.375
181 HB3 SER 27 2HB SER 27 -5.841 -0.448 2.270
182 HG SER 27 HG SER 27 -7.303 0.695 3.762
183 H LEU 28 H LEU 28 -6.399 0.450 -1.011
184 HA LEU 28 HA LEU 28 -3.562 0.516 -1.059
185 HB2 LEU 28 1HB LEU 28 -5.093 -0.908 -2.482
186 HB3 LEU 28 2HB LEU 28 -5.386 0.535 -3.452
187 HG LEU 28 HG LEU 28 -2.906 0.610 -3.889
188 HD11 LEU 28 1HD1 LEU 28 -2.355 -0.872 -1.930
189 HD12 LEU 28 2HD1 LEU 28 -1.560 -1.287 -3.449
190 HD13 LEU 28 3HD1 LEU 28 -2.944 -2.228 -2.893
191 HD21 LEU 28 3HD2 LEU 28 -4.891 -0.638 -5.221
192 HD22 LEU 28 1HD2 LEU 28 -3.795 -1.992 -4.945
193 HD23 LEU 28 2HD2 LEU 28 -3.224 -0.555 -5.793
194 H ILE 29 H ILE 29 -5.934 2.493 -2.852
195 HA ILE 29 HA ILE 29 -4.264 4.321 -4.000
196 HB ILE 29 HB ILE 29 -6.802 4.188 -4.180
197 HG12 ILE 29 1HG1 ILE 29 -5.708 6.982 -3.846
198 HG13 ILE 29 2HG1 ILE 29 -5.284 5.946 -5.205
199 HG21 ILE 29 1HG2 ILE 29 -7.143 6.353 -2.255
200 HG22 ILE 29 2HG2 ILE 29 -8.142 4.931 -2.553
201 HG23 ILE 29 3HG2 ILE 29 -6.724 4.809 -1.512
202 HD11 ILE 29 3HD1 ILE 29 -7.349 6.117 -6.155
203 HD12 ILE 29 1HD1 ILE 29 -8.158 6.411 -4.616
204 HD13 ILE 29 2HD1 ILE 29 -7.222 7.696 -5.380
205 H GLU 30 H GLU 30 -5.128 4.062 -0.640
206 HA GLU 30 HA GLU 30 -4.039 6.661 0.036
207 HB2 GLU 30 1HB GLU 30 -6.004 5.647 1.226
208 HB3 GLU 30 2HB GLU 30 -4.908 4.448 1.899
209 HG2 GLU 30 1HG GLU 30 -5.446 6.360 3.409
210 HG3 GLU 30 2HG GLU 30 -3.726 6.088 3.133
211 H HIS 31 H HIS 31 -3.219 3.255 0.639
212 HA HIS 31 HA HIS 31 -0.924 3.595 2.137
213 HB2 HIS 31 1HB HIS 31 -1.732 1.391 1.905
214 HB3 HIS 31 2HB HIS 31 -1.717 1.481 0.146
215 HD1 HIS 31 HD1 HIS 31 0.885 1.696 2.926
216 HD2 HIS 31 HD2 HIS 31 0.375 0.139 -0.892
217 HE1 HIS 31 HE1 HIS 31 3.019 0.469 2.410
218 H GLN 32 H GLN 32 -1.328 3.740 -1.364
219 HA GLN 32 HA GLN 32 1.329 3.779 -2.155
220 HB2 GLN 32 1HB GLN 32 -1.142 5.053 -3.296
221 HB3 GLN 32 2HB GLN 32 0.426 5.275 -4.061
222 HG2 GLN 32 1HG GLN 32 -0.494 2.516 -3.434
223 HG3 GLN 32 2HG GLN 32 -1.188 3.362 -4.816
224 HE21 GLN 32 1HE2 GLN 32 -0.092 3.389 -6.666
225 HE22 GLN 32 2HE2 GLN 32 1.532 2.836 -6.873
226 H VAL 33 H VAL 33 -0.697 6.407 -0.955
227 HA VAL 33 HA VAL 33 0.734 8.642 -1.485
228 HB VAL 33 HB VAL 33 -0.478 7.956 1.196
229 HG11 VAL 33 1HG1 VAL 33 1.130 10.120 0.547
230 HG12 VAL 33 2HG1 VAL 33 -0.516 10.747 0.429
231 HG13 VAL 33 3HG1 VAL 33 0.037 9.996 1.926
232 HG21 VAL 33 3HG2 VAL 33 -2.142 9.717 -0.142
233 HG22 VAL 33 1HG2 VAL 33 -1.617 8.591 -1.394
234 HG23 VAL 33 2HG2 VAL 33 -2.401 7.985 0.065
235 H LEU 34 H LEU 34 1.413 6.377 1.170
236 HA LEU 34 HA LEU 34 3.577 7.712 2.298
237 HB2 LEU 34 1HB LEU 34 3.081 4.747 2.082
238 HB3 LEU 34 2HB LEU 34 4.270 5.495 3.147
239 HG LEU 34 HG LEU 34 1.296 5.968 3.325
240 HD11 LEU 34 1HD1 LEU 34 3.049 3.877 4.484
241 HD12 LEU 34 2HD1 LEU 34 1.348 3.807 4.023
242 HD13 LEU 34 3HD1 LEU 34 1.821 4.590 5.531
243 HD21 LEU 34 3HD2 LEU 34 2.929 6.414 5.683
244 HD22 LEU 34 1HD2 LEU 34 1.739 7.465 4.914
245 HD23 LEU 34 2HD2 LEU 34 3.404 7.443 4.331
246 H HIS 35 H HIS 35 3.431 5.554 -0.476
247 HA HIS 35 HA HIS 35 6.251 5.317 -0.808
248 HB2 HIS 35 1HB HIS 35 3.911 4.786 -2.637
249 HB3 HIS 35 2HB HIS 35 5.580 4.542 -3.146
250 HD1 HIS 35 HD1 HIS 35 6.922 2.968 -1.159
251 HD2 HIS 35 HD2 HIS 35 2.848 2.462 -1.799
252 HE1 HIS 35 HE1 HIS 35 6.379 0.684 -0.258
253 H MET 36 H MET 36 3.775 7.220 -2.527
254 HA MET 36 HA MET 36 5.191 8.530 -4.398
255 HB2 MET 36 1HB MET 36 3.053 9.529 -2.546
256 HB3 MET 36 2HB MET 36 3.776 10.611 -3.729
257 HG2 MET 36 1HG MET 36 3.198 8.617 -5.365
258 HG3 MET 36 2HG MET 36 1.993 8.277 -4.125
259 HE1 MET 36 3HE MET 36 -0.167 11.476 -4.066
260 HE2 MET 36 1HE MET 36 0.351 10.018 -3.217
261 HE3 MET 36 2HE MET 36 1.355 11.467 -3.173
262 H GLY 37 H GLY 37 7.180 9.348 -4.307
263 HA2 GLY 37 1HA GLY 37 8.065 10.695 -1.857
264 HA3 GLY 37 2HA GLY 37 9.105 10.127 -3.155
265 H GLN 38 H GLN 38 8.738 12.792 -1.769
266 HA GLN 38 HA GLN 38 7.859 14.498 -3.954
267 HB2 GLN 38 1HB GLN 38 7.399 14.891 -1.444
268 HB3 GLN 38 2HB GLN 38 9.064 15.453 -1.370
269 HG2 GLN 38 1HG GLN 38 7.829 17.395 -1.655
270 HG3 GLN 38 2HG GLN 38 8.421 17.031 -3.275
271 HE21 GLN 38 1HE2 GLN 38 6.863 17.919 -4.495
272 HE22 GLN 38 2HE2 GLN 38 5.198 17.461 -4.451
273 H LYS 39 H LYS 39 9.432 14.153 -5.528
274 HA LYS 39 HA LYS 39 12.222 14.366 -5.010
275 HB2 LYS 39 1HB LYS 39 11.140 13.165 -6.959
276 HB3 LYS 39 2HB LYS 39 10.846 14.746 -7.671
277 HG2 LYS 39 1HG LYS 39 13.617 14.090 -6.831
278 HG3 LYS 39 2HG LYS 39 12.975 13.315 -8.281
279 HD2 LYS 39 1HD LYS 39 12.608 16.251 -7.983
280 HD3 LYS 39 2HD LYS 39 14.221 15.652 -8.377
281 HE2 LYS 39 1HE LYS 39 13.351 15.938 -10.479
282 HE3 LYS 39 2HE LYS 39 12.916 14.256 -10.176
283 HZ1 LYS 39 3HZ LYS 39 10.775 14.758 -10.327
284 HZ2 LYS 39 1HZ LYS 39 11.211 16.308 -10.848
285 HZ3 LYS 39 2HZ LYS 39 10.911 16.020 -9.209
286 H ASN 40 H ASN 40 13.630 16.058 -5.348
287 HA ASN 40 HA ASN 40 12.933 18.604 -4.686
288 HB2 ASN 40 1HB ASN 40 15.278 17.478 -5.144
289 HB3 ASN 40 2HB ASN 40 15.109 18.266 -6.710
290 HD21 ASN 40 1HD2 ASN 40 14.271 20.632 -6.431
291 HD22 ASN 40 2HD2 ASN 40 15.154 21.570 -5.279
292 H SER 41 H SER 41 11.448 19.873 -5.575
293 HA SER 41 HA SER 41 11.044 19.825 -8.472
294 HB2 SER 41 1HB SER 41 8.966 21.042 -8.014
295 HB3 SER 41 2HB SER 41 9.061 19.587 -7.021
296 HG SER 41 HG SER 41 8.505 21.835 -6.081
297 H GLY 42 H GLY 42 10.945 21.770 -9.706
298 HA2 GLY 42 1HA GLY 42 12.005 23.683 -10.446
299 HA3 GLY 42 2HA GLY 42 11.351 24.351 -8.958
300 HA PRO 43 HA PRO 43 15.972 24.762 -8.849
301 HB2 PRO 43 1HB PRO 43 15.959 27.358 -8.052
302 HB3 PRO 43 2HB PRO 43 15.886 26.874 -9.751
303 HG2 PRO 43 1HG PRO 43 13.668 27.707 -7.921
304 HG3 PRO 43 2HG PRO 43 13.954 28.160 -9.612
305 HD2 PRO 43 1HD PRO 43 12.158 26.264 -8.894
306 HD3 PRO 43 2HD PRO 43 13.064 26.193 -10.420
307 H SER 44 H SER 44 13.604 26.197 -6.602
308 HA SER 44 HA SER 44 15.244 25.182 -4.372
309 HB2 SER 44 1HB SER 44 14.694 27.071 -3.069
310 HB3 SER 44 2HB SER 44 15.045 27.731 -4.666
311 HG SER 44 HG SER 44 12.567 27.301 -4.850
312 H SER 45 H SER 45 13.830 25.034 -2.297
313 HA SER 45 HA SER 45 12.015 22.971 -2.604
314 HB2 SER 45 1HB SER 45 12.195 24.996 -0.360
315 HB3 SER 45 2HB SER 45 11.297 23.480 -0.276
316 HG SER 45 HG SER 45 13.186 22.866 0.512
317 H GLY 46 H GLY 46 9.667 23.037 -1.878
318 HA2 GLY 46 1HA GLY 46 7.790 24.795 -1.738
319 HA3 GLY 46 2HA GLY 46 8.336 25.208 -3.357
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -7.344 -28.871 -16.673
2 HA2 GLY 1 1HA GLY 1 -6.721 -30.337 -14.303
3 HA3 GLY 1 2HA GLY 1 -7.996 -29.140 -14.480
4 H SER 2 H SER 2 -8.175 -31.587 -13.018
5 HA SER 2 HA SER 2 -9.727 -33.426 -14.617
6 HB2 SER 2 1HB SER 2 -8.954 -33.340 -11.704
7 HB3 SER 2 2HB SER 2 -10.074 -34.546 -12.336
8 HG SER 2 HG SER 2 -8.277 -35.584 -12.730
9 H SER 3 H SER 3 -10.849 -30.891 -14.670
10 HA SER 3 HA SER 3 -12.748 -29.689 -14.245
11 HB2 SER 3 1HB SER 3 -14.751 -30.897 -14.597
12 HB3 SER 3 2HB SER 3 -13.518 -31.813 -15.464
13 HG SER 3 HG SER 3 -13.730 -33.415 -14.093
14 H GLY 4 H GLY 4 -11.196 -29.943 -11.958
15 HA2 GLY 4 1HA GLY 4 -13.207 -30.371 -9.838
16 HA3 GLY 4 2HA GLY 4 -11.474 -30.542 -9.607
17 H SER 5 H SER 5 -10.187 -28.503 -10.028
18 HA SER 5 HA SER 5 -11.550 -26.297 -8.673
19 HB2 SER 5 1HB SER 5 -8.713 -27.178 -8.929
20 HB3 SER 5 2HB SER 5 -9.020 -25.457 -8.702
21 HG SER 5 HG SER 5 -8.769 -26.886 -6.760
22 H SER 6 H SER 6 -12.588 -25.057 -10.126
23 HA SER 6 HA SER 6 -11.360 -24.433 -12.684
24 HB2 SER 6 1HB SER 6 -13.795 -24.947 -12.510
25 HB3 SER 6 2HB SER 6 -14.003 -23.479 -11.556
26 HG SER 6 HG SER 6 -12.866 -22.505 -13.528
27 H GLY 7 H GLY 7 -9.883 -23.456 -10.538
28 HA2 GLY 7 1HA GLY 7 -8.880 -21.541 -9.767
29 HA3 GLY 7 2HA GLY 7 -9.424 -20.813 -11.271
30 H SER 8 H SER 8 -9.322 -19.080 -9.350
31 HA SER 8 HA SER 8 -12.092 -18.451 -8.819
32 HB2 SER 8 1HB SER 8 -10.142 -19.038 -6.593
33 HB3 SER 8 2HB SER 8 -11.560 -18.018 -6.350
34 HG SER 8 HG SER 8 -12.858 -19.769 -6.964
35 H ARG 9 H ARG 9 -12.396 -16.255 -8.101
36 HA ARG 9 HA ARG 9 -10.407 -14.487 -9.211
37 HB2 ARG 9 1HB ARG 9 -13.035 -14.328 -9.287
38 HB3 ARG 9 2HB ARG 9 -12.822 -13.500 -7.751
39 HG2 ARG 9 1HG ARG 9 -12.933 -11.853 -9.459
40 HG3 ARG 9 2HG ARG 9 -11.262 -11.929 -8.897
41 HD2 ARG 9 1HD ARG 9 -10.532 -13.005 -10.826
42 HD3 ARG 9 2HD ARG 9 -12.156 -13.543 -11.254
43 HE ARG 9 HE ARG 9 -12.044 -10.727 -11.289
44 HH11 ARG 9 1HH1 ARG 9 -10.941 -13.508 -13.070
45 HH12 ARG 9 2HH1 ARG 9 -10.883 -12.675 -14.588
46 HH21 ARG 9 1HH2 ARG 9 -11.972 -9.620 -13.283
47 HH22 ARG 9 2HH2 ARG 9 -11.469 -10.464 -14.708
48 H GLU 10 H GLU 10 -8.678 -13.989 -8.029
49 HA GLU 10 HA GLU 10 -8.225 -14.275 -5.372
50 HB2 GLU 10 1HB GLU 10 -7.215 -11.978 -7.060
51 HB3 GLU 10 2HB GLU 10 -6.499 -12.541 -5.556
52 HG2 GLU 10 1HG GLU 10 -5.142 -13.586 -7.044
53 HG3 GLU 10 2HG GLU 10 -6.382 -14.825 -6.854
54 H LYS 11 H LYS 11 -9.555 -11.360 -6.912
55 HA LYS 11 HA LYS 11 -10.719 -9.589 -6.083
56 HB2 LYS 11 1HB LYS 11 -11.530 -11.735 -4.124
57 HB3 LYS 11 2HB LYS 11 -12.220 -10.118 -4.099
58 HG2 LYS 11 1HG LYS 11 -12.900 -10.488 -6.492
59 HG3 LYS 11 2HG LYS 11 -12.426 -12.176 -6.280
60 HD2 LYS 11 1HD LYS 11 -14.292 -10.929 -4.313
61 HD3 LYS 11 2HD LYS 11 -14.909 -11.421 -5.891
62 HE2 LYS 11 1HE LYS 11 -13.250 -13.330 -4.308
63 HE3 LYS 11 2HE LYS 11 -14.938 -13.081 -3.862
64 HZ1 LYS 11 3HZ LYS 11 -13.879 -14.624 -5.972
65 HZ2 LYS 11 1HZ LYS 11 -14.876 -13.417 -6.614
66 HZ3 LYS 11 2HZ LYS 11 -15.486 -14.491 -5.459
67 H SER 12 H SER 12 -8.073 -9.510 -5.435
68 HA SER 12 HA SER 12 -8.154 -8.129 -2.856
69 HB2 SER 12 1HB SER 12 -6.040 -10.166 -3.603
70 HB3 SER 12 2HB SER 12 -6.012 -9.143 -2.167
71 HG SER 12 HG SER 12 -8.287 -10.694 -2.611
72 H HIS 13 H HIS 13 -6.076 -6.853 -2.520
73 HA HIS 13 HA HIS 13 -4.990 -5.911 -5.086
74 HB2 HIS 13 1HB HIS 13 -6.171 -4.272 -2.854
75 HB3 HIS 13 2HB HIS 13 -5.013 -3.581 -3.987
76 HD1 HIS 13 HD1 HIS 13 -5.866 -4.288 -6.657
77 HD2 HIS 13 HD2 HIS 13 -8.668 -3.669 -3.652
78 HE1 HIS 13 HE1 HIS 13 -8.021 -3.770 -7.844
79 H GLN 14 H GLN 14 -3.027 -6.925 -4.795
80 HA GLN 14 HA GLN 14 -1.534 -6.480 -2.340
81 HB2 GLN 14 1HB GLN 14 -1.513 -8.703 -3.412
82 HB3 GLN 14 2HB GLN 14 -0.766 -7.998 -4.840
83 HG2 GLN 14 1HG GLN 14 1.129 -7.276 -3.342
84 HG3 GLN 14 2HG GLN 14 0.410 -8.291 -2.093
85 HE21 GLN 14 1HE2 GLN 14 1.986 -8.248 -5.200
86 HE22 GLN 14 2HE2 GLN 14 2.413 -9.921 -5.230
87 H CYS 15 H CYS 15 0.252 -5.215 -2.132
88 HA CYS 15 HA CYS 15 0.799 -3.383 -4.357
89 HB2 CYS 15 1HB CYS 15 0.144 -2.353 -2.224
90 HB3 CYS 15 2HB CYS 15 1.497 -3.145 -1.422
91 H ARG 16 H ARG 16 2.446 -3.975 -5.602
92 HA ARG 16 HA ARG 16 4.482 -5.771 -4.798
93 HB2 ARG 16 1HB ARG 16 3.577 -5.107 -7.184
94 HB3 ARG 16 2HB ARG 16 4.865 -3.913 -7.108
95 HG2 ARG 16 1HG ARG 16 6.494 -5.707 -6.734
96 HG3 ARG 16 2HG ARG 16 5.194 -6.894 -6.851
97 HD2 ARG 16 1HD ARG 16 5.822 -4.930 -9.042
98 HD3 ARG 16 2HD ARG 16 6.569 -6.524 -8.943
99 HE ARG 16 HE ARG 16 3.762 -6.766 -8.800
100 HH11 ARG 16 1HH1 ARG 16 6.319 -6.040 -11.048
101 HH12 ARG 16 2HH1 ARG 16 5.445 -6.614 -12.430
102 HH21 ARG 16 1HH2 ARG 16 2.600 -7.524 -10.611
103 HH22 ARG 16 2HH2 ARG 16 3.329 -7.457 -12.180
104 H GLU 17 H GLU 17 4.384 -2.251 -5.187
105 HA GLU 17 HA GLU 17 6.909 -1.421 -4.968
106 HB2 GLU 17 1HB GLU 17 4.647 -0.409 -3.234
107 HB3 GLU 17 2HB GLU 17 6.145 0.455 -3.552
108 HG2 GLU 17 1HG GLU 17 4.065 -0.304 -5.590
109 HG3 GLU 17 2HG GLU 17 4.347 1.306 -4.931
110 H CYS 18 H CYS 18 5.012 -2.540 -2.172
111 HA CYS 18 HA CYS 18 7.553 -2.953 -0.734
112 HB2 CYS 18 1HB CYS 18 6.181 -2.696 1.361
113 HB3 CYS 18 2HB CYS 18 6.334 -1.231 0.396
114 H GLY 19 H GLY 19 4.220 -4.147 -1.089
115 HA2 GLY 19 1HA GLY 19 3.961 -6.535 -1.602
116 HA3 GLY 19 2HA GLY 19 5.243 -6.842 -0.440
117 H GLU 20 H GLU 20 2.267 -4.883 -0.329
118 HA GLU 20 HA GLU 20 1.488 -6.409 2.070
119 HB2 GLU 20 1HB GLU 20 1.528 -3.481 1.541
120 HB3 GLU 20 2HB GLU 20 0.199 -4.113 2.502
121 HG2 GLU 20 1HG GLU 20 2.182 -3.280 3.791
122 HG3 GLU 20 2HG GLU 20 1.655 -4.919 4.171
123 H ILE 21 H ILE 21 -0.476 -7.312 2.060
124 HA ILE 21 HA ILE 21 -2.125 -7.000 -0.309
125 HB ILE 21 HB ILE 21 -2.496 -8.828 2.067
126 HG12 ILE 21 1HG1 ILE 21 -1.513 -9.572 -0.686
127 HG13 ILE 21 2HG1 ILE 21 -0.414 -9.141 0.619
128 HG21 ILE 21 1HG2 ILE 21 -4.600 -8.532 1.025
129 HG22 ILE 21 2HG2 ILE 21 -3.897 -8.641 -0.588
130 HG23 ILE 21 3HG2 ILE 21 -3.971 -10.072 0.440
131 HD11 ILE 21 3HD1 ILE 21 -0.848 -11.607 0.219
132 HD12 ILE 21 1HD1 ILE 21 -0.997 -11.024 1.876
133 HD13 ILE 21 2HD1 ILE 21 -2.444 -11.324 0.913
134 H PHE 22 H PHE 22 -3.833 -5.711 -0.424
135 HA PHE 22 HA PHE 22 -5.108 -4.844 2.088
136 HB2 PHE 22 1HB PHE 22 -4.808 -3.250 -0.467
137 HB3 PHE 22 2HB PHE 22 -5.604 -2.700 1.004
138 HD1 PHE 22 HD2 PHE 22 -4.278 -2.245 3.031
139 HD2 PHE 22 HD1 PHE 22 -2.445 -3.216 -0.686
140 HE1 PHE 22 HE2 PHE 22 -2.134 -1.369 3.863
141 HE2 PHE 22 HE1 PHE 22 -0.298 -2.342 0.141
142 HZ PHE 22 HZ PHE 22 -0.141 -1.416 2.417
143 H PHE 23 H PHE 23 -7.258 -5.088 2.261
144 HA PHE 23 HA PHE 23 -8.643 -6.581 0.243
145 HB2 PHE 23 1HB PHE 23 -8.896 -6.637 2.858
146 HB3 PHE 23 2HB PHE 23 -10.043 -5.332 2.576
147 HD1 PHE 23 HD1 PHE 23 -9.247 -8.779 1.412
148 HD2 PHE 23 HD2 PHE 23 -12.245 -5.847 2.140
149 HE1 PHE 23 HE1 PHE 23 -10.988 -10.433 0.880
150 HE2 PHE 23 HE2 PHE 23 -13.992 -7.497 1.611
151 HZ PHE 23 HZ PHE 23 -13.365 -9.794 0.980
152 H GLN 24 H GLN 24 -9.428 -3.482 1.831
153 HA GLN 24 HA GLN 24 -11.314 -2.741 -0.160
154 HB2 GLN 24 1HB GLN 24 -9.923 -1.080 1.947
155 HB3 GLN 24 2HB GLN 24 -11.269 -0.523 0.961
156 HG2 GLN 24 1HG GLN 24 -11.450 -2.939 2.733
157 HG3 GLN 24 2HG GLN 24 -11.822 -1.310 3.293
158 HE21 GLN 24 1HE2 GLN 24 -13.769 -0.468 2.871
159 HE22 GLN 24 2HE2 GLN 24 -14.989 -1.231 1.915
160 H TYR 25 H TYR 25 -11.160 -0.829 -1.540
161 HA TYR 25 HA TYR 25 -8.591 -0.771 -2.900
162 HB2 TYR 25 1HB TYR 25 -10.867 -0.982 -4.061
163 HB3 TYR 25 2HB TYR 25 -11.073 0.732 -3.717
164 HD1 TYR 25 HD2 TYR 25 -8.874 2.168 -4.401
165 HD2 TYR 25 HD1 TYR 25 -10.099 -1.505 -6.164
166 HE1 TYR 25 HE2 TYR 25 -7.616 2.733 -6.438
167 HE2 TYR 25 HE1 TYR 25 -8.843 -0.951 -8.205
168 HH TYR 25 HH TYR 25 -6.509 1.238 -8.390
169 H VAL 26 H VAL 26 -10.783 1.447 -1.234
170 HA VAL 26 HA VAL 26 -9.351 3.819 -1.725
171 HB VAL 26 HB VAL 26 -11.174 3.094 0.571
172 HG11 VAL 26 1HG1 VAL 26 -9.952 4.884 1.420
173 HG12 VAL 26 2HG1 VAL 26 -9.826 5.671 -0.155
174 HG13 VAL 26 3HG1 VAL 26 -11.366 5.659 0.706
175 HG21 VAL 26 3HG2 VAL 26 -11.616 4.554 -2.028
176 HG22 VAL 26 1HG2 VAL 26 -12.350 3.038 -1.504
177 HG23 VAL 26 2HG2 VAL 26 -12.774 4.549 -0.698
178 H SER 27 H SER 27 -8.742 1.178 0.385
179 HA SER 27 HA SER 27 -7.071 2.640 2.222
180 HB2 SER 27 1HB SER 27 -7.610 -0.302 1.807
181 HB3 SER 27 2HB SER 27 -6.448 0.290 2.994
182 HG SER 27 HG SER 27 -8.038 1.049 4.202
183 H LEU 28 H LEU 28 -6.692 1.298 -0.871
184 HA LEU 28 HA LEU 28 -3.864 0.755 -0.639
185 HB2 LEU 28 1HB LEU 28 -5.130 -0.610 -2.140
186 HB3 LEU 28 2HB LEU 28 -5.756 0.807 -2.980
187 HG LEU 28 HG LEU 28 -3.510 1.272 -3.852
188 HD11 LEU 28 1HD1 LEU 28 -2.811 -1.090 -2.163
189 HD12 LEU 28 2HD1 LEU 28 -1.980 0.456 -2.330
190 HD13 LEU 28 3HD1 LEU 28 -1.886 -0.739 -3.623
191 HD21 LEU 28 3HD2 LEU 28 -4.738 -1.420 -4.353
192 HD22 LEU 28 1HD2 LEU 28 -3.328 -0.863 -5.254
193 HD23 LEU 28 2HD2 LEU 28 -4.839 0.044 -5.333
194 H ILE 29 H ILE 29 -5.869 3.121 -2.393
195 HA ILE 29 HA ILE 29 -3.806 4.641 -3.477
196 HB ILE 29 HB ILE 29 -6.313 4.819 -3.940
197 HG12 ILE 29 1HG1 ILE 29 -4.868 7.443 -3.550
198 HG13 ILE 29 2HG1 ILE 29 -4.490 6.316 -4.848
199 HG21 ILE 29 1HG2 ILE 29 -6.519 5.436 -1.325
200 HG22 ILE 29 2HG2 ILE 29 -6.476 7.052 -2.029
201 HG23 ILE 29 3HG2 ILE 29 -7.710 5.901 -2.540
202 HD11 ILE 29 3HD1 ILE 29 -6.880 6.511 -5.574
203 HD12 ILE 29 1HD1 ILE 29 -7.048 7.824 -4.408
204 HD13 ILE 29 2HD1 ILE 29 -5.911 7.974 -5.748
205 H GLU 30 H GLU 30 -5.143 4.615 -0.252
206 HA GLU 30 HA GLU 30 -3.872 7.067 0.555
207 HB2 GLU 30 1HB GLU 30 -4.915 6.785 2.598
208 HB3 GLU 30 2HB GLU 30 -6.008 5.922 1.525
209 HG2 GLU 30 1HG GLU 30 -5.124 3.812 2.203
210 HG3 GLU 30 2HG GLU 30 -3.832 4.590 3.116
211 H HIS 31 H HIS 31 -2.997 3.744 0.374
212 HA HIS 31 HA HIS 31 -0.816 3.981 2.271
213 HB2 HIS 31 1HB HIS 31 -1.631 1.831 2.374
214 HB3 HIS 31 2HB HIS 31 -2.009 1.776 0.655
215 HD1 HIS 31 HD1 HIS 31 0.601 0.912 3.108
216 HD2 HIS 31 HD2 HIS 31 0.243 1.192 -1.022
217 HE1 HIS 31 HE1 HIS 31 2.599 -0.298 2.176
218 H GLN 32 H GLN 32 -1.007 3.048 -1.171
219 HA GLN 32 HA GLN 32 1.582 3.057 -1.899
220 HB2 GLN 32 1HB GLN 32 0.880 3.903 -4.128
221 HB3 GLN 32 2HB GLN 32 -0.159 2.626 -3.511
222 HG2 GLN 32 1HG GLN 32 -1.903 4.111 -3.045
223 HG3 GLN 32 2HG GLN 32 -0.849 5.519 -3.158
224 HE21 GLN 32 1HE2 GLN 32 -0.165 6.220 -5.216
225 HE22 GLN 32 2HE2 GLN 32 -1.044 5.800 -6.642
226 H VAL 33 H VAL 33 -0.270 5.848 -0.969
227 HA VAL 33 HA VAL 33 1.138 7.952 -2.023
228 HB VAL 33 HB VAL 33 0.029 7.742 0.779
229 HG11 VAL 33 1HG1 VAL 33 1.662 9.583 0.494
230 HG12 VAL 33 2HG1 VAL 33 0.666 10.222 -0.815
231 HG13 VAL 33 3HG1 VAL 33 0.026 10.150 0.827
232 HG21 VAL 33 3HG2 VAL 33 -1.228 7.856 -1.779
233 HG22 VAL 33 1HG2 VAL 33 -1.972 7.807 -0.181
234 HG23 VAL 33 2HG2 VAL 33 -1.558 9.357 -0.914
235 H LEU 34 H LEU 34 1.930 6.098 0.900
236 HA LEU 34 HA LEU 34 4.088 7.517 1.835
237 HB2 LEU 34 1HB LEU 34 3.569 4.558 1.772
238 HB3 LEU 34 2HB LEU 34 4.971 5.251 2.585
239 HG LEU 34 HG LEU 34 2.124 5.961 3.273
240 HD11 LEU 34 1HD1 LEU 34 3.861 4.135 4.889
241 HD12 LEU 34 2HD1 LEU 34 2.834 3.507 3.602
242 HD13 LEU 34 3HD1 LEU 34 2.114 4.368 4.962
243 HD21 LEU 34 3HD2 LEU 34 4.770 6.436 4.637
244 HD22 LEU 34 1HD2 LEU 34 3.197 6.743 5.373
245 HD23 LEU 34 2HD2 LEU 34 3.693 7.649 3.943
246 H HIS 35 H HIS 35 3.964 5.263 -0.862
247 HA HIS 35 HA HIS 35 6.768 5.131 -1.294
248 HB2 HIS 35 1HB HIS 35 4.539 4.666 -3.285
249 HB3 HIS 35 2HB HIS 35 6.205 4.114 -3.435
250 HD1 HIS 35 HD1 HIS 35 6.627 2.898 -0.655
251 HD2 HIS 35 HD2 HIS 35 3.206 2.322 -2.942
252 HE1 HIS 35 HE1 HIS 35 5.608 0.758 0.186
253 H MET 36 H MET 36 4.183 6.995 -2.882
254 HA MET 36 HA MET 36 5.411 8.320 -4.847
255 HB2 MET 36 1HB MET 36 3.731 9.696 -2.743
256 HB3 MET 36 2HB MET 36 4.017 10.275 -4.379
257 HG2 MET 36 1HG MET 36 2.608 7.711 -3.675
258 HG3 MET 36 2HG MET 36 1.814 9.226 -4.100
259 HE1 MET 36 3HE MET 36 1.928 10.398 -6.055
260 HE2 MET 36 1HE MET 36 2.445 9.859 -7.653
261 HE3 MET 36 2HE MET 36 0.926 9.274 -6.975
262 H GLY 37 H GLY 37 7.179 9.515 -5.126
263 HA2 GLY 37 1HA GLY 37 9.039 10.029 -3.124
264 HA3 GLY 37 2HA GLY 37 9.001 10.839 -4.683
265 H GLN 38 H GLN 38 8.884 11.314 -1.417
266 HA GLN 38 HA GLN 38 7.514 13.903 -1.743
267 HB2 GLN 38 1HB GLN 38 6.908 13.774 0.638
268 HB3 GLN 38 2HB GLN 38 6.232 12.436 -0.283
269 HG2 GLN 38 1HG GLN 38 7.678 10.888 0.659
270 HG3 GLN 38 2HG GLN 38 8.825 12.125 1.170
271 HE21 GLN 38 1HE2 GLN 38 8.772 12.724 3.216
272 HE22 GLN 38 2HE2 GLN 38 7.472 12.444 4.320
273 H LYS 39 H LYS 39 10.208 12.163 -0.313
274 HA LYS 39 HA LYS 39 11.350 14.473 0.945
275 HB2 LYS 39 1HB LYS 39 12.652 11.825 0.281
276 HB3 LYS 39 2HB LYS 39 13.260 13.032 1.408
277 HG2 LYS 39 1HG LYS 39 11.327 12.680 2.847
278 HG3 LYS 39 2HG LYS 39 10.692 11.487 1.711
279 HD2 LYS 39 1HD LYS 39 13.402 11.225 2.992
280 HD3 LYS 39 2HD LYS 39 11.934 10.583 3.733
281 HE2 LYS 39 1HE LYS 39 11.634 9.002 2.072
282 HE3 LYS 39 2HE LYS 39 12.589 9.905 0.897
283 HZ1 LYS 39 3HZ LYS 39 14.408 9.370 2.795
284 HZ2 LYS 39 1HZ LYS 39 14.164 8.422 1.414
285 HZ3 LYS 39 2HZ LYS 39 13.441 7.984 2.879
286 H ASN 40 H ASN 40 12.496 12.437 -1.757
287 HA ASN 40 HA ASN 40 14.607 13.806 -2.677
288 HB2 ASN 40 1HB ASN 40 14.015 11.914 -3.925
289 HB3 ASN 40 2HB ASN 40 12.374 12.491 -4.199
290 HD21 ASN 40 1HD2 ASN 40 12.345 12.418 -6.378
291 HD22 ASN 40 2HD2 ASN 40 13.363 13.374 -7.395
292 H SER 41 H SER 41 14.823 15.962 -2.639
293 HA SER 41 HA SER 41 12.668 17.692 -3.521
294 HB2 SER 41 1HB SER 41 14.011 18.297 -1.538
295 HB3 SER 41 2HB SER 41 15.451 18.390 -2.550
296 HG SER 41 HG SER 41 14.066 20.386 -2.046
297 H GLY 42 H GLY 42 12.839 19.209 -5.221
298 HA2 GLY 42 1HA GLY 42 14.851 19.796 -6.917
299 HA3 GLY 42 2HA GLY 42 14.348 18.209 -7.481
300 HA PRO 43 HA PRO 43 11.831 21.294 -9.793
301 HB2 PRO 43 1HB PRO 43 11.946 19.946 -12.146
302 HB3 PRO 43 2HB PRO 43 13.202 21.076 -11.624
303 HG2 PRO 43 1HG PRO 43 13.157 18.087 -11.463
304 HG3 PRO 43 2HG PRO 43 14.484 19.162 -11.940
305 HD2 PRO 43 1HD PRO 43 14.320 18.054 -9.475
306 HD3 PRO 43 2HD PRO 43 15.037 19.654 -9.757
307 H SER 44 H SER 44 9.673 21.172 -10.220
308 HA SER 44 HA SER 44 8.386 18.589 -9.698
309 HB2 SER 44 1HB SER 44 6.383 19.856 -9.176
310 HB3 SER 44 2HB SER 44 7.743 20.541 -8.287
311 HG SER 44 HG SER 44 6.629 22.226 -9.210
312 H SER 45 H SER 45 8.363 21.296 -11.981
313 HA SER 45 HA SER 45 6.370 20.324 -13.697
314 HB2 SER 45 1HB SER 45 7.303 22.648 -13.720
315 HB3 SER 45 2HB SER 45 8.758 22.009 -14.484
316 HG SER 45 HG SER 45 7.683 21.681 -16.308
317 H GLY 46 H GLY 46 6.392 19.003 -15.468
318 HA2 GLY 46 1HA GLY 46 8.922 17.900 -16.410
319 HA3 GLY 46 2HA GLY 46 7.801 16.762 -15.678
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -20.151 -29.861 12.464
2 HA2 GLY 1 1HA GLY 1 -21.549 -28.612 10.423
3 HA3 GLY 1 2HA GLY 1 -21.553 -27.487 11.773
4 H SER 2 H SER 2 -19.679 -28.957 9.273
5 HA SER 2 HA SER 2 -17.217 -27.681 10.186
6 HB2 SER 2 1HB SER 2 -17.850 -29.631 7.976
7 HB3 SER 2 2HB SER 2 -16.289 -28.816 8.073
8 HG SER 2 HG SER 2 -16.015 -29.730 10.139
9 H SER 3 H SER 3 -18.844 -25.693 9.734
10 HA SER 3 HA SER 3 -18.243 -24.725 7.017
11 HB2 SER 3 1HB SER 3 -20.467 -23.828 8.866
12 HB3 SER 3 2HB SER 3 -20.186 -23.253 7.222
13 HG SER 3 HG SER 3 -21.759 -25.122 7.753
14 H GLY 4 H GLY 4 -16.897 -23.056 6.827
15 HA2 GLY 4 1HA GLY 4 -16.429 -21.376 9.213
16 HA3 GLY 4 2HA GLY 4 -15.111 -21.936 8.194
17 H SER 5 H SER 5 -15.420 -19.260 8.708
18 HA SER 5 HA SER 5 -16.946 -17.654 7.156
19 HB2 SER 5 1HB SER 5 -14.111 -17.459 8.069
20 HB3 SER 5 2HB SER 5 -14.689 -16.271 6.900
21 HG SER 5 HG SER 5 -15.836 -16.846 9.433
22 H SER 6 H SER 6 -17.408 -17.561 5.071
23 HA SER 6 HA SER 6 -15.329 -17.896 3.076
24 HB2 SER 6 1HB SER 6 -16.382 -20.196 3.626
25 HB3 SER 6 2HB SER 6 -17.803 -19.585 2.778
26 HG SER 6 HG SER 6 -15.181 -19.703 1.693
27 H GLY 7 H GLY 7 -15.632 -16.527 1.432
28 HA2 GLY 7 1HA GLY 7 -17.761 -15.894 -0.053
29 HA3 GLY 7 2HA GLY 7 -18.073 -14.945 1.392
30 H SER 8 H SER 8 -15.100 -15.657 -0.437
31 HA SER 8 HA SER 8 -14.732 -12.751 -0.762
32 HB2 SER 8 1HB SER 8 -12.597 -14.828 -0.216
33 HB3 SER 8 2HB SER 8 -12.295 -13.122 -0.545
34 HG SER 8 HG SER 8 -12.543 -14.029 1.770
35 H ARG 9 H ARG 9 -14.174 -12.028 -2.747
36 HA ARG 9 HA ARG 9 -14.236 -13.957 -4.920
37 HB2 ARG 9 1HB ARG 9 -15.610 -11.952 -5.115
38 HB3 ARG 9 2HB ARG 9 -14.186 -10.934 -4.937
39 HG2 ARG 9 1HG ARG 9 -14.658 -10.942 -7.229
40 HG3 ARG 9 2HG ARG 9 -13.304 -12.058 -7.035
41 HD2 ARG 9 1HD ARG 9 -14.983 -12.975 -8.544
42 HD3 ARG 9 2HD ARG 9 -14.851 -13.948 -7.080
43 HE ARG 9 HE ARG 9 -16.897 -11.998 -6.826
44 HH11 ARG 9 1HH1 ARG 9 -16.164 -15.059 -8.314
45 HH12 ARG 9 2HH1 ARG 9 -17.817 -15.577 -8.365
46 HH21 ARG 9 1HH2 ARG 9 -19.076 -12.669 -6.888
47 HH22 ARG 9 2HH2 ARG 9 -19.472 -14.217 -7.554
48 H GLU 10 H GLU 10 -12.552 -14.495 -6.198
49 HA GLU 10 HA GLU 10 -9.978 -14.497 -5.445
50 HB2 GLU 10 1HB GLU 10 -11.209 -14.390 -8.170
51 HB3 GLU 10 2HB GLU 10 -9.458 -14.338 -8.018
52 HG2 GLU 10 1HG GLU 10 -9.834 -16.582 -8.280
53 HG3 GLU 10 2HG GLU 10 -9.790 -16.437 -6.524
54 H LYS 11 H LYS 11 -11.419 -11.931 -7.448
55 HA LYS 11 HA LYS 11 -9.393 -10.282 -8.000
56 HB2 LYS 11 1HB LYS 11 -11.784 -9.773 -8.419
57 HB3 LYS 11 2HB LYS 11 -11.967 -9.336 -6.725
58 HG2 LYS 11 1HG LYS 11 -10.207 -7.585 -7.090
59 HG3 LYS 11 2HG LYS 11 -10.317 -7.941 -8.815
60 HD2 LYS 11 1HD LYS 11 -11.790 -6.181 -8.622
61 HD3 LYS 11 2HD LYS 11 -12.875 -7.561 -8.433
62 HE2 LYS 11 1HE LYS 11 -11.600 -6.338 -6.024
63 HE3 LYS 11 2HE LYS 11 -12.990 -5.549 -6.767
64 HZ1 LYS 11 3HZ LYS 11 -12.967 -7.745 -5.032
65 HZ2 LYS 11 1HZ LYS 11 -13.561 -8.275 -6.524
66 HZ3 LYS 11 2HZ LYS 11 -14.302 -6.977 -5.732
67 H SER 12 H SER 12 -7.650 -9.796 -6.842
68 HA SER 12 HA SER 12 -8.033 -8.908 -4.057
69 HB2 SER 12 1HB SER 12 -5.762 -10.530 -5.225
70 HB3 SER 12 2HB SER 12 -5.721 -9.798 -3.621
71 HG SER 12 HG SER 12 -6.432 -12.040 -3.706
72 H HIS 13 H HIS 13 -6.081 -7.586 -3.291
73 HA HIS 13 HA HIS 13 -4.908 -5.968 -5.424
74 HB2 HIS 13 1HB HIS 13 -6.684 -4.930 -3.224
75 HB3 HIS 13 2HB HIS 13 -5.496 -3.898 -4.014
76 HD1 HIS 13 HD1 HIS 13 -5.807 -4.368 -6.892
77 HD2 HIS 13 HD2 HIS 13 -9.081 -4.415 -4.335
78 HE1 HIS 13 HE1 HIS 13 -7.805 -3.919 -8.351
79 H GLN 14 H GLN 14 -2.803 -6.237 -5.051
80 HA GLN 14 HA GLN 14 -1.833 -5.889 -2.291
81 HB2 GLN 14 1HB GLN 14 -1.618 -8.226 -3.178
82 HB3 GLN 14 2HB GLN 14 -0.541 -7.599 -4.418
83 HG2 GLN 14 1HG GLN 14 0.909 -6.728 -2.552
84 HG3 GLN 14 2HG GLN 14 -0.095 -7.669 -1.450
85 HE21 GLN 14 1HE2 GLN 14 -0.288 -10.001 -1.966
86 HE22 GLN 14 2HE2 GLN 14 1.113 -10.811 -2.571
87 H CYS 15 H CYS 15 0.310 -4.969 -2.081
88 HA CYS 15 HA CYS 15 0.800 -2.963 -4.153
89 HB2 CYS 15 1HB CYS 15 0.586 -2.002 -1.987
90 HB3 CYS 15 2HB CYS 15 1.664 -3.197 -1.273
91 H ARG 16 H ARG 16 2.947 -2.517 -4.894
92 HA ARG 16 HA ARG 16 4.664 -4.908 -4.871
93 HB2 ARG 16 1HB ARG 16 3.699 -4.204 -7.074
94 HB3 ARG 16 2HB ARG 16 4.603 -2.701 -6.934
95 HG2 ARG 16 1HG ARG 16 6.691 -3.889 -7.000
96 HG3 ARG 16 2HG ARG 16 5.850 -5.440 -6.970
97 HD2 ARG 16 1HD ARG 16 6.552 -4.938 -9.226
98 HD3 ARG 16 2HD ARG 16 4.793 -4.876 -9.123
99 HE ARG 16 HE ARG 16 6.061 -2.322 -8.768
100 HH11 ARG 16 1HH1 ARG 16 4.826 -4.609 -11.085
101 HH12 ARG 16 2HH1 ARG 16 4.554 -3.416 -12.312
102 HH21 ARG 16 1HH2 ARG 16 5.708 -0.743 -10.376
103 HH22 ARG 16 2HH2 ARG 16 5.057 -1.218 -11.908
104 H GLU 17 H GLU 17 4.593 -1.419 -4.497
105 HA GLU 17 HA GLU 17 7.237 -0.736 -4.464
106 HB2 GLU 17 1HB GLU 17 4.862 0.224 -2.942
107 HB3 GLU 17 2HB GLU 17 6.446 0.791 -2.434
108 HG2 GLU 17 1HG GLU 17 5.180 2.245 -4.068
109 HG3 GLU 17 2HG GLU 17 6.849 1.854 -4.480
110 H CYS 18 H CYS 18 5.414 -2.341 -1.901
111 HA CYS 18 HA CYS 18 7.969 -3.024 -0.616
112 HB2 CYS 18 1HB CYS 18 6.929 -2.752 1.595
113 HB3 CYS 18 2HB CYS 18 6.933 -1.237 0.696
114 H GLY 19 H GLY 19 4.532 -3.795 -0.995
115 HA2 GLY 19 1HA GLY 19 3.916 -6.048 -1.642
116 HA3 GLY 19 2HA GLY 19 5.241 -6.638 -0.650
117 H GLU 20 H GLU 20 1.958 -5.516 -0.689
118 HA GLU 20 HA GLU 20 1.459 -6.794 1.844
119 HB2 GLU 20 1HB GLU 20 1.229 -3.804 1.538
120 HB3 GLU 20 2HB GLU 20 0.346 -4.696 2.770
121 HG2 GLU 20 1HG GLU 20 2.679 -5.619 3.415
122 HG3 GLU 20 2HG GLU 20 3.283 -4.228 2.516
123 H ILE 21 H ILE 21 -0.778 -7.098 2.272
124 HA ILE 21 HA ILE 21 -2.501 -6.598 -0.067
125 HB ILE 21 HB ILE 21 -2.753 -8.897 1.872
126 HG12 ILE 21 1HG1 ILE 21 -1.775 -9.070 -0.974
127 HG13 ILE 21 2HG1 ILE 21 -0.669 -8.874 0.381
128 HG21 ILE 21 1HG2 ILE 21 -4.409 -7.843 -0.270
129 HG22 ILE 21 2HG2 ILE 21 -4.020 -9.548 -0.487
130 HG23 ILE 21 3HG2 ILE 21 -4.802 -9.005 0.997
131 HD11 ILE 21 3HD1 ILE 21 -1.470 -10.958 1.346
132 HD12 ILE 21 1HD1 ILE 21 -2.598 -11.152 0.003
133 HD13 ILE 21 2HD1 ILE 21 -0.859 -11.201 -0.291
134 H PHE 22 H PHE 22 -4.093 -5.219 0.310
135 HA PHE 22 HA PHE 22 -4.990 -4.798 3.071
136 HB2 PHE 22 1HB PHE 22 -5.375 -3.096 0.598
137 HB3 PHE 22 2HB PHE 22 -5.976 -2.694 2.203
138 HD1 PHE 22 HD1 PHE 22 -2.751 -3.738 0.635
139 HD2 PHE 22 HD2 PHE 22 -4.744 -1.173 3.385
140 HE1 PHE 22 HE1 PHE 22 -0.612 -2.637 1.153
141 HE2 PHE 22 HE2 PHE 22 -2.609 -0.067 3.907
142 HZ PHE 22 HZ PHE 22 -0.540 -0.798 2.789
143 H PHE 23 H PHE 23 -7.348 -4.272 3.329
144 HA PHE 23 HA PHE 23 -8.897 -6.379 2.086
145 HB2 PHE 23 1HB PHE 23 -9.357 -4.479 4.363
146 HB3 PHE 23 2HB PHE 23 -10.708 -5.365 3.664
147 HD1 PHE 23 HD1 PHE 23 -7.208 -6.471 4.245
148 HD2 PHE 23 HD2 PHE 23 -11.313 -6.907 5.285
149 HE1 PHE 23 HE1 PHE 23 -6.645 -8.419 5.638
150 HE2 PHE 23 HE2 PHE 23 -10.756 -8.855 6.680
151 HZ PHE 23 HZ PHE 23 -8.420 -9.613 6.859
152 H GLN 24 H GLN 24 -9.198 -2.849 2.460
153 HA GLN 24 HA GLN 24 -11.194 -2.810 0.325
154 HB2 GLN 24 1HB GLN 24 -10.398 -0.944 2.504
155 HB3 GLN 24 2HB GLN 24 -11.071 -0.244 1.037
156 HG2 GLN 24 1HG GLN 24 -13.136 -1.182 1.370
157 HG3 GLN 24 2HG GLN 24 -12.499 -2.501 2.351
158 HE21 GLN 24 1HE2 GLN 24 -13.584 -2.312 4.201
159 HE22 GLN 24 2HE2 GLN 24 -13.639 -0.893 5.184
160 H TYR 25 H TYR 25 -11.009 -0.839 -1.181
161 HA TYR 25 HA TYR 25 -8.421 -1.016 -2.473
162 HB2 TYR 25 1HB TYR 25 -10.519 -1.168 -3.784
163 HB3 TYR 25 2HB TYR 25 -10.905 0.487 -3.326
164 HD1 TYR 25 HD1 TYR 25 -8.596 -1.622 -5.284
165 HD2 TYR 25 HD2 TYR 25 -9.877 2.342 -4.423
166 HE1 TYR 25 HE1 TYR 25 -7.333 -0.799 -7.227
167 HE2 TYR 25 HE2 TYR 25 -8.619 3.177 -6.364
168 HH TYR 25 HH TYR 25 -7.043 0.982 -8.614
169 H VAL 26 H VAL 26 -10.525 1.562 -1.212
170 HA VAL 26 HA VAL 26 -8.853 3.729 -1.711
171 HB VAL 26 HB VAL 26 -10.789 3.339 0.575
172 HG11 VAL 26 1HG1 VAL 26 -9.917 5.220 1.399
173 HG12 VAL 26 2HG1 VAL 26 -8.961 5.508 -0.056
174 HG13 VAL 26 3HG1 VAL 26 -10.642 6.039 0.017
175 HG21 VAL 26 3HG2 VAL 26 -11.489 5.135 -1.626
176 HG22 VAL 26 1HG2 VAL 26 -11.325 3.445 -2.102
177 HG23 VAL 26 2HG2 VAL 26 -12.452 3.895 -0.822
178 H SER 27 H SER 27 -8.550 1.202 0.597
179 HA SER 27 HA SER 27 -6.847 2.636 2.416
180 HB2 SER 27 1HB SER 27 -6.617 0.553 3.585
181 HB3 SER 27 2HB SER 27 -8.297 0.671 3.059
182 HG SER 27 HG SER 27 -7.826 -1.278 2.342
183 H LEU 28 H LEU 28 -6.438 0.689 -0.436
184 HA LEU 28 HA LEU 28 -3.593 0.344 -0.047
185 HB2 LEU 28 1HB LEU 28 -4.657 -1.443 -1.147
186 HB3 LEU 28 2HB LEU 28 -5.506 -0.362 -2.250
187 HG LEU 28 HG LEU 28 -3.174 0.198 -3.175
188 HD11 LEU 28 1HD1 LEU 28 -2.374 -2.502 -2.231
189 HD12 LEU 28 2HD1 LEU 28 -2.195 -1.144 -1.121
190 HD13 LEU 28 3HD1 LEU 28 -1.380 -1.118 -2.685
191 HD21 LEU 28 3HD2 LEU 28 -5.000 -1.972 -3.685
192 HD22 LEU 28 1HD2 LEU 28 -3.352 -2.418 -4.128
193 HD23 LEU 28 2HD2 LEU 28 -4.092 -0.976 -4.823
194 H ILE 29 H ILE 29 -5.635 2.010 -2.450
195 HA ILE 29 HA ILE 29 -3.752 3.270 -3.956
196 HB ILE 29 HB ILE 29 -6.275 3.432 -4.185
197 HG12 ILE 29 1HG1 ILE 29 -4.780 6.044 -4.472
198 HG13 ILE 29 2HG1 ILE 29 -4.588 4.682 -5.570
199 HG21 ILE 29 1HG2 ILE 29 -6.494 4.348 -1.809
200 HG22 ILE 29 2HG2 ILE 29 -6.014 5.898 -2.497
201 HG23 ILE 29 3HG2 ILE 29 -7.480 5.098 -3.064
202 HD11 ILE 29 3HD1 ILE 29 -6.883 4.846 -6.252
203 HD12 ILE 29 1HD1 ILE 29 -7.189 6.101 -5.052
204 HD13 ILE 29 2HD1 ILE 29 -6.114 6.425 -6.413
205 H GLU 30 H GLU 30 -4.862 4.209 -0.743
206 HA GLU 30 HA GLU 30 -3.442 6.674 -0.659
207 HB2 GLU 30 1HB GLU 30 -5.384 6.180 0.788
208 HB3 GLU 30 2HB GLU 30 -4.434 4.961 1.627
209 HG2 GLU 30 1HG GLU 30 -4.539 7.013 2.909
210 HG3 GLU 30 2HG GLU 30 -2.887 6.679 2.394
211 H HIS 31 H HIS 31 -2.803 3.479 0.778
212 HA HIS 31 HA HIS 31 -0.405 4.028 2.032
213 HB2 HIS 31 1HB HIS 31 -1.228 1.911 2.498
214 HB3 HIS 31 2HB HIS 31 -1.566 1.556 0.806
215 HD1 HIS 31 HD1 HIS 31 1.015 1.203 3.414
216 HD2 HIS 31 HD2 HIS 31 0.734 0.758 -0.707
217 HE1 HIS 31 HE1 HIS 31 3.064 -0.088 2.736
218 H GLN 32 H GLN 32 -0.988 3.197 -1.354
219 HA GLN 32 HA GLN 32 1.678 2.927 -2.161
220 HB2 GLN 32 1HB GLN 32 -0.705 3.890 -3.752
221 HB3 GLN 32 2HB GLN 32 0.831 3.385 -4.442
222 HG2 GLN 32 1HG GLN 32 -0.820 1.566 -2.722
223 HG3 GLN 32 2HG GLN 32 -1.067 1.702 -4.462
224 HE21 GLN 32 1HE2 GLN 32 -0.541 -0.606 -4.372
225 HE22 GLN 32 2HE2 GLN 32 1.120 -1.078 -4.430
226 H VAL 33 H VAL 33 -0.284 5.748 -1.587
227 HA VAL 33 HA VAL 33 1.286 7.637 -2.980
228 HB VAL 33 HB VAL 33 -0.498 8.030 -0.574
229 HG11 VAL 33 1HG1 VAL 33 0.873 9.983 -2.399
230 HG12 VAL 33 2HG1 VAL 33 -0.574 10.412 -1.484
231 HG13 VAL 33 3HG1 VAL 33 0.893 9.921 -0.637
232 HG21 VAL 33 3HG2 VAL 33 -2.266 8.160 -1.963
233 HG22 VAL 33 1HG2 VAL 33 -1.338 8.953 -3.236
234 HG23 VAL 33 2HG2 VAL 33 -1.249 7.202 -3.040
235 H LEU 34 H LEU 34 1.327 6.526 0.387
236 HA LEU 34 HA LEU 34 3.123 8.238 1.525
237 HB2 LEU 34 1HB LEU 34 2.835 5.264 1.878
238 HB3 LEU 34 2HB LEU 34 3.881 6.254 2.894
239 HG LEU 34 HG LEU 34 0.916 6.717 2.636
240 HD11 LEU 34 1HD1 LEU 34 0.653 4.809 3.762
241 HD12 LEU 34 2HD1 LEU 34 1.345 5.673 5.135
242 HD13 LEU 34 3HD1 LEU 34 2.377 4.672 4.113
243 HD21 LEU 34 3HD2 LEU 34 2.891 8.329 3.635
244 HD22 LEU 34 1HD2 LEU 34 2.329 7.479 5.075
245 HD23 LEU 34 2HD2 LEU 34 1.188 8.395 4.090
246 H HIS 35 H HIS 35 3.982 5.216 -0.164
247 HA HIS 35 HA HIS 35 6.649 5.137 -0.041
248 HB2 HIS 35 1HB HIS 35 4.914 4.767 -2.479
249 HB3 HIS 35 2HB HIS 35 6.640 4.417 -2.492
250 HD1 HIS 35 HD1 HIS 35 7.062 2.908 0.056
251 HD2 HIS 35 HD2 HIS 35 3.705 2.357 -2.328
252 HE1 HIS 35 HE1 HIS 35 6.191 0.622 0.639
253 H MET 36 H MET 36 4.936 7.170 -2.420
254 HA MET 36 HA MET 36 7.413 8.687 -2.825
255 HB2 MET 36 1HB MET 36 6.377 9.555 -4.842
256 HB3 MET 36 2HB MET 36 6.284 7.799 -4.832
257 HG2 MET 36 1HG MET 36 3.928 8.297 -3.739
258 HG3 MET 36 2HG MET 36 4.129 9.818 -4.606
259 HE1 MET 36 3HE MET 36 1.604 8.075 -5.440
260 HE2 MET 36 1HE MET 36 2.168 9.622 -6.074
261 HE3 MET 36 2HE MET 36 1.795 8.300 -7.179
262 H GLY 37 H GLY 37 6.826 11.116 -3.437
263 HA2 GLY 37 1HA GLY 37 4.720 12.263 -1.834
264 HA3 GLY 37 2HA GLY 37 6.327 12.523 -1.171
265 H GLN 38 H GLN 38 5.798 14.806 -1.474
266 HA GLN 38 HA GLN 38 6.944 15.802 -3.890
267 HB2 GLN 38 1HB GLN 38 5.012 17.120 -4.643
268 HB3 GLN 38 2HB GLN 38 4.693 15.393 -4.730
269 HG2 GLN 38 1HG GLN 38 3.167 15.446 -3.020
270 HG3 GLN 38 2HG GLN 38 3.866 16.894 -2.297
271 HE21 GLN 38 1HE2 GLN 38 1.185 15.848 -3.662
272 HE22 GLN 38 2HE2 GLN 38 0.646 17.270 -4.483
273 H LYS 39 H LYS 39 7.103 18.185 -3.880
274 HA LYS 39 HA LYS 39 6.895 19.292 -1.157
275 HB2 LYS 39 1HB LYS 39 9.221 18.811 -1.572
276 HB3 LYS 39 2HB LYS 39 9.154 19.607 -3.139
277 HG2 LYS 39 1HG LYS 39 9.210 21.705 -2.233
278 HG3 LYS 39 2HG LYS 39 8.482 21.187 -0.711
279 HD2 LYS 39 1HD LYS 39 10.739 21.678 -0.215
280 HD3 LYS 39 2HD LYS 39 10.632 19.918 -0.274
281 HE2 LYS 39 1HE LYS 39 12.594 20.496 -1.457
282 HE3 LYS 39 2HE LYS 39 11.393 20.079 -2.678
283 HZ1 LYS 39 3HZ LYS 39 11.013 22.379 -3.118
284 HZ2 LYS 39 1HZ LYS 39 12.683 22.111 -3.186
285 HZ3 LYS 39 2HZ LYS 39 12.000 22.857 -1.830
286 H ASN 40 H ASN 40 5.960 21.243 -0.980
287 HA ASN 40 HA ASN 40 5.857 23.075 -3.212
288 HB2 ASN 40 1HB ASN 40 3.886 21.312 -3.309
289 HB3 ASN 40 2HB ASN 40 3.182 22.363 -2.084
290 HD21 ASN 40 1HD2 ASN 40 1.984 21.982 -4.527
291 HD22 ASN 40 2HD2 ASN 40 2.053 23.450 -5.435
292 H SER 41 H SER 41 4.745 25.126 -2.606
293 HA SER 41 HA SER 41 5.731 26.130 -0.199
294 HB2 SER 41 1HB SER 41 3.695 27.130 -2.170
295 HB3 SER 41 2HB SER 41 3.998 28.018 -0.676
296 HG SER 41 HG SER 41 5.322 28.344 -2.803
297 H GLY 42 H GLY 42 2.420 25.150 -1.055
298 HA2 GLY 42 1HA GLY 42 0.685 24.432 0.272
299 HA3 GLY 42 2HA GLY 42 1.855 24.219 1.566
300 HA PRO 43 HA PRO 43 -0.909 28.148 1.994
301 HB2 PRO 43 1HB PRO 43 -3.089 27.142 3.263
302 HB3 PRO 43 2HB PRO 43 -2.991 27.307 1.505
303 HG2 PRO 43 1HG PRO 43 -2.556 24.883 3.207
304 HG3 PRO 43 2HG PRO 43 -3.435 25.031 1.675
305 HD2 PRO 43 1HD PRO 43 -0.915 24.053 1.819
306 HD3 PRO 43 2HD PRO 43 -1.506 24.966 0.416
307 H SER 44 H SER 44 -1.475 29.153 4.061
308 HA SER 44 HA SER 44 0.311 28.288 6.147
309 HB2 SER 44 1HB SER 44 -1.426 30.685 5.688
310 HB3 SER 44 2HB SER 44 -0.819 30.360 7.312
311 HG SER 44 HG SER 44 0.994 30.259 5.191
312 H SER 45 H SER 45 -0.638 28.591 8.495
313 HA SER 45 HA SER 45 -2.097 26.415 9.182
314 HB2 SER 45 1HB SER 45 -1.767 29.089 10.484
315 HB3 SER 45 2HB SER 45 -2.902 27.936 11.185
316 HG SER 45 HG SER 45 -0.874 26.476 10.828
317 H GLY 46 H GLY 46 -4.028 25.722 8.562
318 HA2 GLY 46 1HA GLY 46 -6.435 26.992 9.041
319 HA3 GLY 46 2HA GLY 46 -5.988 27.434 7.400
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -0.893 -29.917 -15.200
2 HA2 GLY 1 1HA GLY 1 -1.436 -29.039 -12.698
3 HA3 GLY 1 2HA GLY 1 -2.428 -28.599 -14.080
4 H SER 2 H SER 2 -2.440 -30.000 -11.063
5 HA SER 2 HA SER 2 -4.592 -31.871 -11.514
6 HB2 SER 2 1HB SER 2 -2.709 -31.925 -9.681
7 HB3 SER 2 2HB SER 2 -3.824 -30.892 -8.788
8 HG SER 2 HG SER 2 -4.643 -32.758 -8.230
9 H SER 3 H SER 3 -4.254 -28.851 -9.647
10 HA SER 3 HA SER 3 -6.865 -27.964 -10.466
11 HB2 SER 3 1HB SER 3 -6.378 -28.738 -7.581
12 HB3 SER 3 2HB SER 3 -7.751 -27.781 -8.136
13 HG SER 3 HG SER 3 -8.227 -30.032 -7.956
14 H GLY 4 H GLY 4 -7.353 -25.791 -9.709
15 HA2 GLY 4 1HA GLY 4 -5.316 -24.320 -8.290
16 HA3 GLY 4 2HA GLY 4 -5.376 -23.958 -10.009
17 H SER 5 H SER 5 -5.790 -21.860 -8.510
18 HA SER 5 HA SER 5 -8.619 -21.544 -7.922
19 HB2 SER 5 1HB SER 5 -8.035 -19.473 -6.904
20 HB3 SER 5 2HB SER 5 -6.752 -20.602 -6.469
21 HG SER 5 HG SER 5 -5.791 -19.645 -8.564
22 H SER 6 H SER 6 -8.097 -22.043 -10.622
23 HA SER 6 HA SER 6 -8.283 -19.467 -11.980
24 HB2 SER 6 1HB SER 6 -7.929 -20.651 -14.011
25 HB3 SER 6 2HB SER 6 -6.850 -21.398 -12.834
26 HG SER 6 HG SER 6 -8.861 -22.841 -12.541
27 H GLY 7 H GLY 7 -10.213 -18.550 -12.160
28 HA2 GLY 7 1HA GLY 7 -12.358 -18.947 -13.467
29 HA3 GLY 7 2HA GLY 7 -12.582 -20.300 -12.367
30 H SER 8 H SER 8 -12.346 -19.590 -9.959
31 HA SER 8 HA SER 8 -14.500 -17.959 -9.330
32 HB2 SER 8 1HB SER 8 -13.800 -18.120 -7.042
33 HB3 SER 8 2HB SER 8 -13.384 -19.647 -7.819
34 HG SER 8 HG SER 8 -11.550 -19.133 -6.815
35 H ARG 9 H ARG 9 -14.527 -15.908 -8.157
36 HA ARG 9 HA ARG 9 -13.154 -13.882 -9.549
37 HB2 ARG 9 1HB ARG 9 -14.953 -13.990 -7.179
38 HB3 ARG 9 2HB ARG 9 -14.005 -12.529 -7.415
39 HG2 ARG 9 1HG ARG 9 -15.768 -13.711 -9.544
40 HG3 ARG 9 2HG ARG 9 -16.314 -12.495 -8.388
41 HD2 ARG 9 1HD ARG 9 -13.840 -12.008 -9.986
42 HD3 ARG 9 2HD ARG 9 -15.418 -11.782 -10.739
43 HE ARG 9 HE ARG 9 -15.206 -10.438 -8.226
44 HH11 ARG 9 1HH1 ARG 9 -14.426 -10.223 -11.612
45 HH12 ARG 9 2HH1 ARG 9 -14.378 -8.491 -11.625
46 HH21 ARG 9 1HH2 ARG 9 -15.144 -8.158 -8.230
47 HH22 ARG 9 2HH2 ARG 9 -14.785 -7.317 -9.700
48 H GLU 10 H GLU 10 -12.012 -12.069 -8.184
49 HA GLU 10 HA GLU 10 -9.922 -13.384 -6.575
50 HB2 GLU 10 1HB GLU 10 -9.767 -11.210 -8.635
51 HB3 GLU 10 2HB GLU 10 -8.549 -11.313 -7.372
52 HG2 GLU 10 1HG GLU 10 -9.238 -13.582 -9.219
53 HG3 GLU 10 2HG GLU 10 -7.941 -12.427 -9.517
54 H LYS 11 H LYS 11 -11.264 -10.127 -7.152
55 HA LYS 11 HA LYS 11 -11.558 -8.354 -5.739
56 HB2 LYS 11 1HB LYS 11 -12.682 -10.715 -4.273
57 HB3 LYS 11 2HB LYS 11 -12.676 -9.133 -3.504
58 HG2 LYS 11 1HG LYS 11 -13.789 -9.405 -6.254
59 HG3 LYS 11 2HG LYS 11 -14.745 -9.946 -4.872
60 HD2 LYS 11 1HD LYS 11 -15.438 -7.769 -5.005
61 HD3 LYS 11 2HD LYS 11 -14.061 -7.581 -3.917
62 HE2 LYS 11 1HE LYS 11 -12.742 -6.617 -5.538
63 HE3 LYS 11 2HE LYS 11 -13.623 -7.381 -6.860
64 HZ1 LYS 11 3HZ LYS 11 -14.099 -4.862 -5.553
65 HZ2 LYS 11 1HZ LYS 11 -15.496 -5.800 -5.728
66 HZ3 LYS 11 2HZ LYS 11 -14.576 -5.392 -7.087
67 H SER 12 H SER 12 -8.923 -9.187 -5.733
68 HA SER 12 HA SER 12 -8.134 -8.442 -3.017
69 HB2 SER 12 1HB SER 12 -6.824 -10.732 -4.498
70 HB3 SER 12 2HB SER 12 -6.446 -10.168 -2.871
71 HG SER 12 HG SER 12 -8.897 -10.656 -2.634
72 H HIS 13 H HIS 13 -5.975 -7.572 -2.881
73 HA HIS 13 HA HIS 13 -4.792 -6.793 -5.452
74 HB2 HIS 13 1HB HIS 13 -5.605 -4.965 -3.200
75 HB3 HIS 13 2HB HIS 13 -4.368 -4.504 -4.366
76 HD1 HIS 13 HD1 HIS 13 -5.368 -4.946 -7.007
77 HD2 HIS 13 HD2 HIS 13 -8.005 -4.000 -3.939
78 HE1 HIS 13 HE1 HIS 13 -7.428 -4.058 -8.142
79 H GLN 14 H GLN 14 -2.608 -5.620 -4.986
80 HA GLN 14 HA GLN 14 -1.229 -6.497 -2.613
81 HB2 GLN 14 1HB GLN 14 -1.290 -8.472 -4.271
82 HB3 GLN 14 2HB GLN 14 -0.154 -7.528 -5.225
83 HG2 GLN 14 1HG GLN 14 1.419 -7.507 -3.383
84 HG3 GLN 14 2HG GLN 14 0.272 -8.384 -2.372
85 HE21 GLN 14 1HE2 GLN 14 0.866 -10.406 -2.132
86 HE22 GLN 14 2HE2 GLN 14 1.551 -11.424 -3.348
87 H CYS 15 H CYS 15 0.504 -5.236 -2.169
88 HA CYS 15 HA CYS 15 0.944 -2.945 -3.868
89 HB2 CYS 15 1HB CYS 15 0.885 -2.480 -1.539
90 HB3 CYS 15 2HB CYS 15 2.022 -3.774 -1.176
91 H ARG 16 H ARG 16 2.420 -2.826 -5.414
92 HA ARG 16 HA ARG 16 4.570 -4.816 -5.479
93 HB2 ARG 16 1HB ARG 16 3.499 -2.972 -7.622
94 HB3 ARG 16 2HB ARG 16 4.844 -4.083 -7.847
95 HG2 ARG 16 1HG ARG 16 3.103 -5.294 -8.713
96 HG3 ARG 16 2HG ARG 16 3.129 -5.876 -7.048
97 HD2 ARG 16 1HD ARG 16 0.890 -5.443 -7.329
98 HD3 ARG 16 2HD ARG 16 1.448 -3.915 -6.649
99 HE ARG 16 HE ARG 16 1.050 -2.888 -8.677
100 HH11 ARG 16 1HH1 ARG 16 0.741 -6.341 -8.998
101 HH12 ARG 16 2HH1 ARG 16 0.028 -6.261 -10.575
102 HH21 ARG 16 1HH2 ARG 16 0.112 -2.770 -10.753
103 HH22 ARG 16 2HH2 ARG 16 -0.329 -4.230 -11.573
104 H GLU 17 H GLU 17 4.843 -2.735 -3.619
105 HA GLU 17 HA GLU 17 7.148 -1.306 -4.759
106 HB2 GLU 17 1HB GLU 17 5.382 0.321 -4.557
107 HB3 GLU 17 2HB GLU 17 5.033 -0.193 -2.913
108 HG2 GLU 17 1HG GLU 17 6.225 1.801 -2.686
109 HG3 GLU 17 2HG GLU 17 7.397 0.530 -2.343
110 H CYS 18 H CYS 18 5.565 -2.532 -1.844
111 HA CYS 18 HA CYS 18 8.231 -2.889 -0.646
112 HB2 CYS 18 1HB CYS 18 7.310 -2.380 1.549
113 HB3 CYS 18 2HB CYS 18 7.032 -1.029 0.455
114 H GLY 19 H GLY 19 4.842 -3.958 -0.624
115 HA2 GLY 19 1HA GLY 19 4.526 -6.384 -1.040
116 HA3 GLY 19 2HA GLY 19 5.814 -6.647 0.126
117 H GLU 20 H GLU 20 2.536 -5.356 -0.227
118 HA GLU 20 HA GLU 20 1.780 -6.549 2.290
119 HB2 GLU 20 1HB GLU 20 2.742 -4.355 2.962
120 HB3 GLU 20 2HB GLU 20 1.549 -3.554 1.950
121 HG2 GLU 20 1HG GLU 20 -0.211 -4.124 3.346
122 HG3 GLU 20 2HG GLU 20 0.690 -5.434 4.108
123 H ILE 21 H ILE 21 -0.341 -7.082 2.331
124 HA ILE 21 HA ILE 21 -1.920 -6.360 -0.030
125 HB ILE 21 HB ILE 21 -2.359 -8.553 2.001
126 HG12 ILE 21 1HG1 ILE 21 -1.570 -8.790 -0.906
127 HG13 ILE 21 2HG1 ILE 21 -0.404 -8.790 0.413
128 HG21 ILE 21 1HG2 ILE 21 -3.953 -7.615 -0.345
129 HG22 ILE 21 2HG2 ILE 21 -3.968 -9.319 0.106
130 HG23 ILE 21 3HG2 ILE 21 -4.498 -8.097 1.262
131 HD11 ILE 21 3HD1 ILE 21 -2.003 -10.937 -0.614
132 HD12 ILE 21 1HD1 ILE 21 -0.663 -10.982 0.531
133 HD13 ILE 21 2HD1 ILE 21 -2.307 -10.706 1.107
134 H PHE 22 H PHE 22 -3.996 -5.531 0.115
135 HA PHE 22 HA PHE 22 -4.925 -4.726 2.783
136 HB2 PHE 22 1HB PHE 22 -4.771 -2.936 0.349
137 HB3 PHE 22 2HB PHE 22 -5.576 -2.513 1.856
138 HD1 PHE 22 HD1 PHE 22 -2.304 -3.283 0.332
139 HD2 PHE 22 HD2 PHE 22 -4.362 -1.698 3.704
140 HE1 PHE 22 HE1 PHE 22 -0.179 -2.408 1.214
141 HE2 PHE 22 HE2 PHE 22 -2.242 -0.820 4.590
142 HZ PHE 22 HZ PHE 22 -0.147 -1.174 3.345
143 H PHE 23 H PHE 23 -6.974 -5.259 3.133
144 HA PHE 23 HA PHE 23 -8.541 -6.615 1.251
145 HB2 PHE 23 1HB PHE 23 -9.113 -5.378 3.924
146 HB3 PHE 23 2HB PHE 23 -10.430 -6.037 2.958
147 HD1 PHE 23 HD1 PHE 23 -7.141 -6.926 4.436
148 HD2 PHE 23 HD2 PHE 23 -10.912 -8.307 3.027
149 HE1 PHE 23 HE1 PHE 23 -6.632 -9.176 5.291
150 HE2 PHE 23 HE2 PHE 23 -10.410 -10.559 3.881
151 HZ PHE 23 HZ PHE 23 -8.268 -10.996 5.015
152 H GLN 24 H GLN 24 -9.023 -3.343 2.588
153 HA GLN 24 HA GLN 24 -11.029 -2.711 0.636
154 HB2 GLN 24 1HB GLN 24 -9.628 -1.132 2.779
155 HB3 GLN 24 2HB GLN 24 -10.715 -0.359 1.633
156 HG2 GLN 24 1HG GLN 24 -12.578 -1.438 2.468
157 HG3 GLN 24 2HG GLN 24 -11.628 -2.736 3.190
158 HE21 GLN 24 1HE2 GLN 24 -13.523 -0.278 3.969
159 HE22 GLN 24 2HE2 GLN 24 -12.828 0.213 5.473
160 H TYR 25 H TYR 25 -10.842 -1.560 -1.216
161 HA TYR 25 HA TYR 25 -8.321 -1.410 -2.486
162 HB2 TYR 25 1HB TYR 25 -10.308 -1.705 -3.815
163 HB3 TYR 25 2HB TYR 25 -10.996 -0.202 -3.210
164 HD1 TYR 25 HD1 TYR 25 -7.797 -1.276 -4.836
165 HD2 TYR 25 HD2 TYR 25 -10.991 1.533 -4.717
166 HE1 TYR 25 HE1 TYR 25 -6.794 -0.064 -6.727
167 HE2 TYR 25 HE2 TYR 25 -9.998 2.752 -6.608
168 HH TYR 25 HH TYR 25 -7.282 1.485 -8.388
169 H VAL 26 H VAL 26 -10.514 1.176 -1.380
170 HA VAL 26 HA VAL 26 -9.051 3.395 -1.972
171 HB VAL 26 HB VAL 26 -10.561 2.948 0.607
172 HG11 VAL 26 1HG1 VAL 26 -10.162 5.590 -0.747
173 HG12 VAL 26 2HG1 VAL 26 -10.600 5.249 0.929
174 HG13 VAL 26 3HG1 VAL 26 -8.953 4.956 0.370
175 HG21 VAL 26 3HG2 VAL 26 -11.422 3.233 -2.146
176 HG22 VAL 26 1HG2 VAL 26 -12.348 2.784 -0.714
177 HG23 VAL 26 2HG2 VAL 26 -12.103 4.486 -1.109
178 H SER 27 H SER 27 -8.479 1.113 0.631
179 HA SER 27 HA SER 27 -6.558 2.661 2.029
180 HB2 SER 27 1HB SER 27 -7.075 -0.318 1.965
181 HB3 SER 27 2HB SER 27 -5.915 0.449 3.050
182 HG SER 27 HG SER 27 -7.689 0.464 4.252
183 H LEU 28 H LEU 28 -6.376 0.421 -0.660
184 HA LEU 28 HA LEU 28 -3.534 0.176 -0.651
185 HB2 LEU 28 1HB LEU 28 -4.670 -1.570 -1.702
186 HB3 LEU 28 2HB LEU 28 -5.697 -0.471 -2.619
187 HG LEU 28 HG LEU 28 -3.649 0.175 -3.934
188 HD11 LEU 28 1HD1 LEU 28 -2.210 -0.965 -2.010
189 HD12 LEU 28 2HD1 LEU 28 -1.644 -0.855 -3.676
190 HD13 LEU 28 3HD1 LEU 28 -2.360 -2.354 -3.086
191 HD21 LEU 28 3HD2 LEU 28 -3.700 -2.567 -4.652
192 HD22 LEU 28 1HD2 LEU 28 -4.542 -1.216 -5.410
193 HD23 LEU 28 2HD2 LEU 28 -5.318 -2.119 -4.109
194 H ILE 29 H ILE 29 -5.746 1.871 -2.881
195 HA ILE 29 HA ILE 29 -3.872 3.202 -4.399
196 HB ILE 29 HB ILE 29 -6.393 3.166 -4.722
197 HG12 ILE 29 1HG1 ILE 29 -5.151 5.903 -5.005
198 HG13 ILE 29 2HG1 ILE 29 -4.699 4.543 -6.028
199 HG21 ILE 29 1HG2 ILE 29 -7.773 4.354 -3.425
200 HG22 ILE 29 2HG2 ILE 29 -6.427 4.424 -2.289
201 HG23 ILE 29 3HG2 ILE 29 -6.701 5.755 -3.414
202 HD11 ILE 29 3HD1 ILE 29 -6.289 5.356 -7.374
203 HD12 ILE 29 1HD1 ILE 29 -7.386 4.500 -6.291
204 HD13 ILE 29 2HD1 ILE 29 -7.096 6.226 -6.070
205 H GLU 30 H GLU 30 -4.934 3.881 -1.154
206 HA GLU 30 HA GLU 30 -3.680 6.496 -1.099
207 HB2 GLU 30 1HB GLU 30 -5.811 5.813 0.167
208 HB3 GLU 30 2HB GLU 30 -4.733 4.992 1.286
209 HG2 GLU 30 1HG GLU 30 -5.413 7.256 2.016
210 HG3 GLU 30 2HG GLU 30 -3.669 7.043 1.879
211 H HIS 31 H HIS 31 -3.108 3.261 0.202
212 HA HIS 31 HA HIS 31 -0.925 3.828 1.840
213 HB2 HIS 31 1HB HIS 31 -1.758 1.678 2.109
214 HB3 HIS 31 2HB HIS 31 -1.844 1.383 0.375
215 HD1 HIS 31 HD1 HIS 31 0.870 1.895 2.997
216 HD2 HIS 31 HD2 HIS 31 0.149 -0.207 -0.513
217 HE1 HIS 31 HE1 HIS 31 2.900 0.452 2.649
218 H GLN 32 H GLN 32 -1.084 3.212 -1.628
219 HA GLN 32 HA GLN 32 1.641 2.948 -2.157
220 HB2 GLN 32 1HB GLN 32 -0.675 3.930 -3.800
221 HB3 GLN 32 2HB GLN 32 0.957 3.927 -4.453
222 HG2 GLN 32 1HG GLN 32 -0.155 1.439 -3.244
223 HG3 GLN 32 2HG GLN 32 -0.628 1.913 -4.875
224 HE21 GLN 32 1HE2 GLN 32 1.516 2.807 -6.063
225 HE22 GLN 32 2HE2 GLN 32 2.795 1.645 -6.081
226 H VAL 33 H VAL 33 -0.384 5.876 -2.243
227 HA VAL 33 HA VAL 33 1.520 7.728 -2.986
228 HB VAL 33 HB VAL 33 -0.739 8.110 -1.017
229 HG11 VAL 33 1HG1 VAL 33 0.702 10.217 -2.618
230 HG12 VAL 33 2HG1 VAL 33 -0.550 10.462 -1.399
231 HG13 VAL 33 3HG1 VAL 33 1.040 9.864 -0.924
232 HG21 VAL 33 3HG2 VAL 33 -1.046 9.217 -3.686
233 HG22 VAL 33 1HG2 VAL 33 -0.851 7.465 -3.698
234 HG23 VAL 33 2HG2 VAL 33 -2.143 8.202 -2.751
235 H LEU 34 H LEU 34 0.739 6.613 0.297
236 HA LEU 34 HA LEU 34 2.294 8.196 1.851
237 HB2 LEU 34 1HB LEU 34 2.079 5.198 2.081
238 HB3 LEU 34 2HB LEU 34 2.588 6.293 3.365
239 HG LEU 34 HG LEU 34 -0.140 6.423 2.099
240 HD11 LEU 34 1HD1 LEU 34 -1.002 4.943 3.628
241 HD12 LEU 34 2HD1 LEU 34 0.339 5.151 4.753
242 HD13 LEU 34 3HD1 LEU 34 0.559 4.199 3.285
243 HD21 LEU 34 3HD2 LEU 34 1.286 8.021 3.985
244 HD22 LEU 34 1HD2 LEU 34 -0.079 7.252 4.796
245 HD23 LEU 34 2HD2 LEU 34 -0.349 8.237 3.357
246 H HIS 35 H HIS 35 3.455 5.220 0.265
247 HA HIS 35 HA HIS 35 6.045 5.123 0.987
248 HB2 HIS 35 1HB HIS 35 4.778 4.663 -1.698
249 HB3 HIS 35 2HB HIS 35 6.512 4.446 -1.476
250 HD1 HIS 35 HD1 HIS 35 6.692 2.978 1.129
251 HD2 HIS 35 HD2 HIS 35 3.754 2.164 -1.693
252 HE1 HIS 35 HE1 HIS 35 5.928 0.632 1.612
253 H MET 36 H MET 36 4.939 7.045 -1.811
254 HA MET 36 HA MET 36 7.215 8.273 -2.581
255 HB2 MET 36 1HB MET 36 4.474 9.498 -2.273
256 HB3 MET 36 2HB MET 36 5.801 10.303 -3.099
257 HG2 MET 36 1HG MET 36 5.005 7.555 -3.931
258 HG3 MET 36 2HG MET 36 4.040 8.938 -4.441
259 HE1 MET 36 3HE MET 36 6.753 6.758 -4.693
260 HE2 MET 36 1HE MET 36 7.134 6.970 -6.403
261 HE3 MET 36 2HE MET 36 8.185 7.671 -5.172
262 H GLY 37 H GLY 37 8.741 9.465 -1.649
263 HA2 GLY 37 1HA GLY 37 9.713 11.075 -0.299
264 HA3 GLY 37 2HA GLY 37 8.112 11.493 0.293
265 H GLN 38 H GLN 38 11.035 9.948 0.996
266 HA GLN 38 HA GLN 38 10.340 9.497 3.694
267 HB2 GLN 38 1HB GLN 38 10.339 7.108 3.824
268 HB3 GLN 38 2HB GLN 38 9.147 7.573 2.617
269 HG2 GLN 38 1HG GLN 38 10.642 6.987 0.834
270 HG3 GLN 38 2HG GLN 38 11.945 6.673 1.979
271 HE21 GLN 38 1HE2 GLN 38 10.459 4.995 -0.037
272 HE22 GLN 38 2HE2 GLN 38 9.983 3.589 0.847
273 H LYS 39 H LYS 39 12.137 9.347 4.935
274 HA LYS 39 HA LYS 39 14.592 10.116 4.119
275 HB2 LYS 39 1HB LYS 39 15.525 9.003 6.124
276 HB3 LYS 39 2HB LYS 39 14.047 9.892 6.468
277 HG2 LYS 39 1HG LYS 39 12.859 7.636 6.159
278 HG3 LYS 39 2HG LYS 39 14.469 6.932 6.327
279 HD2 LYS 39 1HD LYS 39 13.336 8.867 8.333
280 HD3 LYS 39 2HD LYS 39 13.072 7.126 8.445
281 HE2 LYS 39 1HE LYS 39 15.822 8.312 8.204
282 HE3 LYS 39 2HE LYS 39 15.025 8.110 9.764
283 HZ1 LYS 39 3HZ LYS 39 15.729 5.975 7.828
284 HZ2 LYS 39 1HZ LYS 39 14.779 5.721 9.205
285 HZ3 LYS 39 2HZ LYS 39 16.388 6.217 9.367
286 H ASN 40 H ASN 40 13.445 6.762 4.233
287 HA ASN 40 HA ASN 40 15.903 5.672 3.255
288 HB2 ASN 40 1HB ASN 40 13.220 4.302 3.145
289 HB3 ASN 40 2HB ASN 40 14.815 3.569 3.294
290 HD21 ASN 40 1HD2 ASN 40 12.111 4.768 4.930
291 HD22 ASN 40 2HD2 ASN 40 12.722 4.634 6.541
292 H SER 41 H SER 41 16.393 6.728 1.335
293 HA SER 41 HA SER 41 14.488 6.696 -0.852
294 HB2 SER 41 1HB SER 41 17.228 7.857 -0.451
295 HB3 SER 41 2HB SER 41 16.559 7.710 -2.076
296 HG SER 41 HG SER 41 14.687 8.868 -1.195
297 H GLY 42 H GLY 42 14.452 5.294 -2.507
298 HA2 GLY 42 1HA GLY 42 15.460 3.821 -4.081
299 HA3 GLY 42 2HA GLY 42 16.773 3.551 -2.945
300 HA PRO 43 HA PRO 43 12.926 0.898 -1.582
301 HB2 PRO 43 1HB PRO 43 11.191 0.341 -3.595
302 HB3 PRO 43 2HB PRO 43 10.999 1.730 -2.518
303 HG2 PRO 43 1HG PRO 43 12.140 1.620 -5.284
304 HG3 PRO 43 2HG PRO 43 11.037 2.814 -4.575
305 HD2 PRO 43 1HD PRO 43 13.694 3.263 -4.840
306 HD3 PRO 43 2HD PRO 43 12.739 3.938 -3.504
307 H SER 44 H SER 44 14.044 -0.948 -1.390
308 HA SER 44 HA SER 44 14.660 -2.464 -3.841
309 HB2 SER 44 1HB SER 44 16.687 -1.727 -2.674
310 HB3 SER 44 2HB SER 44 16.121 -2.490 -1.188
311 HG SER 44 HG SER 44 17.453 -3.587 -3.237
312 H SER 45 H SER 45 12.907 -3.781 -3.993
313 HA SER 45 HA SER 45 12.619 -5.795 -1.894
314 HB2 SER 45 1HB SER 45 10.890 -3.865 -1.684
315 HB3 SER 45 2HB SER 45 10.141 -4.595 -3.103
316 HG SER 45 HG SER 45 9.529 -6.268 -1.940
317 H GLY 46 H GLY 46 11.663 -7.767 -2.609
318 HA2 GLY 46 1HA GLY 46 11.905 -8.125 -5.523
319 HA3 GLY 46 2HA GLY 46 12.129 -9.391 -4.325
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -14.571 -25.836 -19.681
2 HA2 GLY 1 1HA GLY 1 -14.275 -23.852 -21.151
3 HA3 GLY 1 2HA GLY 1 -14.932 -22.906 -19.824
4 H SER 2 H SER 2 -12.614 -22.047 -20.766
5 HA SER 2 HA SER 2 -10.371 -23.255 -19.418
6 HB2 SER 2 1HB SER 2 -10.704 -20.766 -21.088
7 HB3 SER 2 2HB SER 2 -9.186 -21.149 -20.278
8 HG SER 2 HG SER 2 -8.892 -22.840 -21.580
9 H SER 3 H SER 3 -10.016 -22.999 -17.324
10 HA SER 3 HA SER 3 -9.802 -20.472 -16.089
11 HB2 SER 3 1HB SER 3 -11.678 -20.626 -14.497
12 HB3 SER 3 2HB SER 3 -12.254 -20.520 -16.160
13 HG SER 3 HG SER 3 -12.107 -23.015 -15.867
14 H GLY 4 H GLY 4 -8.463 -20.656 -14.396
15 HA2 GLY 4 1HA GLY 4 -7.193 -23.029 -13.735
16 HA3 GLY 4 2HA GLY 4 -7.206 -21.595 -12.719
17 H SER 5 H SER 5 -8.083 -24.808 -12.923
18 HA SER 5 HA SER 5 -10.481 -24.987 -11.538
19 HB2 SER 5 1HB SER 5 -8.978 -26.839 -12.612
20 HB3 SER 5 2HB SER 5 -8.269 -26.943 -11.001
21 HG SER 5 HG SER 5 -10.472 -27.230 -10.233
22 H SER 6 H SER 6 -7.173 -24.840 -10.258
23 HA SER 6 HA SER 6 -8.316 -24.267 -7.602
24 HB2 SER 6 1HB SER 6 -6.938 -26.386 -7.844
25 HB3 SER 6 2HB SER 6 -5.543 -25.347 -8.131
26 HG SER 6 HG SER 6 -6.327 -26.122 -5.834
27 H GLY 7 H GLY 7 -8.276 -22.138 -7.271
28 HA2 GLY 7 1HA GLY 7 -7.187 -20.143 -6.704
29 HA3 GLY 7 2HA GLY 7 -5.729 -20.745 -7.478
30 H SER 8 H SER 8 -8.971 -19.490 -8.160
31 HA SER 8 HA SER 8 -8.158 -18.788 -10.871
32 HB2 SER 8 1HB SER 8 -10.449 -19.798 -10.207
33 HB3 SER 8 2HB SER 8 -10.842 -18.169 -9.658
34 HG SER 8 HG SER 8 -10.312 -19.094 -12.260
35 H ARG 9 H ARG 9 -8.585 -16.610 -11.696
36 HA ARG 9 HA ARG 9 -7.225 -14.625 -10.422
37 HB2 ARG 9 1HB ARG 9 -9.516 -14.437 -12.372
38 HB3 ARG 9 2HB ARG 9 -8.634 -13.019 -11.821
39 HG2 ARG 9 1HG ARG 9 -6.540 -14.098 -12.660
40 HG3 ARG 9 2HG ARG 9 -7.553 -15.355 -13.374
41 HD2 ARG 9 1HD ARG 9 -7.151 -13.810 -15.105
42 HD3 ARG 9 2HD ARG 9 -8.793 -13.484 -14.552
43 HE ARG 9 HE ARG 9 -7.139 -11.802 -13.114
44 HH11 ARG 9 1HH1 ARG 9 -7.960 -12.342 -16.454
45 HH12 ARG 9 2HH1 ARG 9 -7.693 -10.695 -16.921
46 HH21 ARG 9 1HH2 ARG 9 -6.784 -9.631 -13.717
47 HH22 ARG 9 2HH2 ARG 9 -7.023 -9.154 -15.364
48 H GLU 10 H GLU 10 -7.546 -14.035 -8.362
49 HA GLU 10 HA GLU 10 -10.208 -13.784 -7.263
50 HB2 GLU 10 1HB GLU 10 -7.430 -13.647 -6.194
51 HB3 GLU 10 2HB GLU 10 -8.700 -12.841 -5.285
52 HG2 GLU 10 1HG GLU 10 -8.602 -15.752 -6.035
53 HG3 GLU 10 2HG GLU 10 -8.355 -15.065 -4.431
54 H LYS 11 H LYS 11 -10.371 -11.714 -5.710
55 HA LYS 11 HA LYS 11 -9.950 -9.383 -7.461
56 HB2 LYS 11 1HB LYS 11 -12.113 -9.887 -5.410
57 HB3 LYS 11 2HB LYS 11 -11.909 -8.383 -6.298
58 HG2 LYS 11 1HG LYS 11 -12.273 -10.987 -7.731
59 HG3 LYS 11 2HG LYS 11 -13.654 -10.068 -7.127
60 HD2 LYS 11 1HD LYS 11 -12.504 -8.081 -8.379
61 HD3 LYS 11 2HD LYS 11 -11.698 -9.370 -9.276
62 HE2 LYS 11 1HE LYS 11 -13.841 -10.290 -9.932
63 HE3 LYS 11 2HE LYS 11 -14.685 -9.088 -8.957
64 HZ1 LYS 11 3HZ LYS 11 -12.979 -8.514 -11.320
65 HZ2 LYS 11 1HZ LYS 11 -13.775 -7.355 -10.379
66 HZ3 LYS 11 2HZ LYS 11 -14.670 -8.469 -11.285
67 H SER 12 H SER 12 -7.912 -10.239 -5.742
68 HA SER 12 HA SER 12 -8.019 -8.402 -3.464
69 HB2 SER 12 1HB SER 12 -5.913 -10.470 -4.135
70 HB3 SER 12 2HB SER 12 -6.066 -9.577 -2.623
71 HG SER 12 HG SER 12 -6.978 -11.642 -2.427
72 H HIS 13 H HIS 13 -6.096 -7.083 -3.000
73 HA HIS 13 HA HIS 13 -4.662 -6.258 -5.433
74 HB2 HIS 13 1HB HIS 13 -6.063 -4.516 -3.411
75 HB3 HIS 13 2HB HIS 13 -4.798 -3.890 -4.465
76 HD1 HIS 13 HD1 HIS 13 -5.419 -4.777 -7.162
77 HD2 HIS 13 HD2 HIS 13 -8.456 -3.891 -4.469
78 HE1 HIS 13 HE1 HIS 13 -7.446 -4.295 -8.570
79 H GLN 14 H GLN 14 -2.588 -6.712 -5.116
80 HA GLN 14 HA GLN 14 -1.464 -6.419 -2.418
81 HB2 GLN 14 1HB GLN 14 -1.320 -8.634 -3.699
82 HB3 GLN 14 2HB GLN 14 -0.146 -7.827 -4.730
83 HG2 GLN 14 1HG GLN 14 1.252 -7.381 -2.762
84 HG3 GLN 14 2HG GLN 14 0.087 -8.243 -1.759
85 HE21 GLN 14 1HE2 GLN 14 1.772 -9.671 -1.157
86 HE22 GLN 14 2HE2 GLN 14 2.277 -10.940 -2.215
87 H CYS 15 H CYS 15 0.384 -5.219 -2.052
88 HA CYS 15 HA CYS 15 0.865 -3.095 -3.953
89 HB2 CYS 15 1HB CYS 15 0.717 -2.500 -1.615
90 HB3 CYS 15 2HB CYS 15 1.991 -3.644 -1.202
91 H ARG 16 H ARG 16 2.454 -3.027 -5.396
92 HA ARG 16 HA ARG 16 4.526 -5.095 -5.288
93 HB2 ARG 16 1HB ARG 16 3.047 -4.705 -7.346
94 HB3 ARG 16 2HB ARG 16 3.988 -3.240 -7.598
95 HG2 ARG 16 1HG ARG 16 6.029 -4.573 -7.753
96 HG3 ARG 16 2HG ARG 16 5.085 -6.043 -7.499
97 HD2 ARG 16 1HD ARG 16 5.337 -5.945 -9.812
98 HD3 ARG 16 2HD ARG 16 3.728 -5.279 -9.541
99 HE ARG 16 HE ARG 16 5.684 -3.225 -9.581
100 HH11 ARG 16 1HH1 ARG 16 3.900 -5.380 -11.653
101 HH12 ARG 16 2HH1 ARG 16 3.975 -4.329 -13.028
102 HH21 ARG 16 1HH2 ARG 16 5.791 -1.833 -11.385
103 HH22 ARG 16 2HH2 ARG 16 5.052 -2.313 -12.875
104 H GLU 17 H GLU 17 4.708 -2.859 -3.524
105 HA GLU 17 HA GLU 17 7.179 -1.636 -4.551
106 HB2 GLU 17 1HB GLU 17 4.815 -0.326 -3.278
107 HB3 GLU 17 2HB GLU 17 6.415 0.331 -2.963
108 HG2 GLU 17 1HG GLU 17 5.865 1.571 -4.775
109 HG3 GLU 17 2HG GLU 17 6.596 0.192 -5.595
110 H CYS 18 H CYS 18 5.289 -2.579 -1.719
111 HA CYS 18 HA CYS 18 7.807 -2.795 -0.203
112 HB2 CYS 18 1HB CYS 18 6.549 -2.350 1.833
113 HB3 CYS 18 2HB CYS 18 6.310 -1.040 0.681
114 H GLY 19 H GLY 19 4.546 -4.157 -0.593
115 HA2 GLY 19 1HA GLY 19 4.436 -6.586 -0.989
116 HA3 GLY 19 2HA GLY 19 5.657 -6.758 0.263
117 H GLU 20 H GLU 20 2.536 -5.047 0.004
118 HA GLU 20 HA GLU 20 1.639 -6.515 2.387
119 HB2 GLU 20 1HB GLU 20 1.456 -3.542 1.901
120 HB3 GLU 20 2HB GLU 20 0.499 -4.377 3.116
121 HG2 GLU 20 1HG GLU 20 3.495 -4.513 3.056
122 HG3 GLU 20 2HG GLU 20 2.617 -3.242 3.904
123 H ILE 21 H ILE 21 -0.730 -6.462 2.675
124 HA ILE 21 HA ILE 21 -2.173 -6.098 0.136
125 HB ILE 21 HB ILE 21 -2.441 -8.451 2.010
126 HG12 ILE 21 1HG1 ILE 21 -1.723 -8.516 -0.914
127 HG13 ILE 21 2HG1 ILE 21 -0.491 -8.324 0.329
128 HG21 ILE 21 1HG2 ILE 21 -4.586 -7.570 1.017
129 HG22 ILE 21 2HG2 ILE 21 -3.932 -8.000 -0.563
130 HG23 ILE 21 3HG2 ILE 21 -4.205 -9.252 0.649
131 HD11 ILE 21 3HD1 ILE 21 -0.565 -10.615 -0.213
132 HD12 ILE 21 1HD1 ILE 21 -1.360 -10.450 1.353
133 HD13 ILE 21 2HD1 ILE 21 -2.325 -10.658 -0.109
134 H PHE 22 H PHE 22 -4.312 -5.449 0.290
135 HA PHE 22 HA PHE 22 -5.257 -4.763 2.995
136 HB2 PHE 22 1HB PHE 22 -5.478 -3.113 0.470
137 HB3 PHE 22 2HB PHE 22 -6.318 -2.741 1.972
138 HD1 PHE 22 HD1 PHE 22 -2.949 -3.166 0.490
139 HD2 PHE 22 HD2 PHE 22 -5.263 -1.528 3.665
140 HE1 PHE 22 HE1 PHE 22 -0.982 -1.912 1.272
141 HE2 PHE 22 HE2 PHE 22 -3.300 -0.270 4.451
142 HZ PHE 22 HZ PHE 22 -1.156 -0.460 3.254
143 H PHE 23 H PHE 23 -7.692 -4.216 2.922
144 HA PHE 23 HA PHE 23 -9.012 -6.376 1.435
145 HB2 PHE 23 1HB PHE 23 -10.091 -4.844 3.806
146 HB3 PHE 23 2HB PHE 23 -10.734 -6.330 3.115
147 HD1 PHE 23 HD2 PHE 23 -8.610 -8.141 2.867
148 HD2 PHE 23 HD1 PHE 23 -9.188 -5.186 5.876
149 HE1 PHE 23 HE2 PHE 23 -7.233 -9.460 4.422
150 HE2 PHE 23 HE1 PHE 23 -7.811 -6.500 7.436
151 HZ PHE 23 HZ PHE 23 -6.832 -8.640 6.709
152 H GLN 24 H GLN 24 -9.400 -2.965 2.332
153 HA GLN 24 HA GLN 24 -11.563 -2.666 0.402
154 HB2 GLN 24 1HB GLN 24 -10.430 -0.952 2.581
155 HB3 GLN 24 2HB GLN 24 -11.396 -0.216 1.309
156 HG2 GLN 24 1HG GLN 24 -12.441 -2.589 2.783
157 HG3 GLN 24 2HG GLN 24 -12.518 -0.988 3.516
158 HE21 GLN 24 1HE2 GLN 24 -14.698 -0.738 3.450
159 HE22 GLN 24 2HE2 GLN 24 -15.608 -0.616 1.987
160 H TYR 25 H TYR 25 -11.438 -0.455 -0.834
161 HA TYR 25 HA TYR 25 -9.041 -0.612 -2.464
162 HB2 TYR 25 1HB TYR 25 -11.042 -0.508 -3.728
163 HB3 TYR 25 2HB TYR 25 -11.673 0.825 -2.768
164 HD1 TYR 25 HD1 TYR 25 -8.488 0.221 -4.642
165 HD2 TYR 25 HD2 TYR 25 -11.838 2.764 -3.995
166 HE1 TYR 25 HE1 TYR 25 -7.584 1.819 -6.278
167 HE2 TYR 25 HE2 TYR 25 -10.943 4.368 -5.631
168 HH TYR 25 HH TYR 25 -8.179 3.617 -7.619
169 H VAL 26 H VAL 26 -10.821 1.879 -0.652
170 HA VAL 26 HA VAL 26 -9.045 3.993 -1.098
171 HB VAL 26 HB VAL 26 -10.752 3.537 1.353
172 HG11 VAL 26 1HG1 VAL 26 -8.994 5.282 1.565
173 HG12 VAL 26 2HG1 VAL 26 -9.720 6.121 0.194
174 HG13 VAL 26 3HG1 VAL 26 -10.636 5.911 1.686
175 HG21 VAL 26 3HG2 VAL 26 -12.013 5.385 -0.269
176 HG22 VAL 26 1HG2 VAL 26 -11.428 4.165 -1.400
177 HG23 VAL 26 2HG2 VAL 26 -12.473 3.696 -0.060
178 H SER 27 H SER 27 -8.890 1.295 1.089
179 HA SER 27 HA SER 27 -6.993 2.342 2.905
180 HB2 SER 27 1HB SER 27 -6.598 -0.034 3.515
181 HB3 SER 27 2HB SER 27 -8.313 0.373 3.466
182 HG SER 27 HG SER 27 -8.048 -0.435 1.146
183 H LEU 28 H LEU 28 -6.719 0.787 -0.217
184 HA LEU 28 HA LEU 28 -3.857 0.461 -0.027
185 HB2 LEU 28 1HB LEU 28 -5.016 -1.164 -1.307
186 HB3 LEU 28 2HB LEU 28 -5.845 0.074 -2.249
187 HG LEU 28 HG LEU 28 -3.471 0.687 -3.084
188 HD11 LEU 28 1HD1 LEU 28 -2.981 -1.736 -1.519
189 HD12 LEU 28 2HD1 LEU 28 -1.863 -0.485 -2.060
190 HD13 LEU 28 3HD1 LEU 28 -2.329 -1.784 -3.157
191 HD21 LEU 28 3HD2 LEU 28 -5.376 -0.429 -4.337
192 HD22 LEU 28 1HD2 LEU 28 -4.568 -1.959 -3.993
193 HD23 LEU 28 2HD2 LEU 28 -3.747 -0.724 -4.948
194 H ILE 29 H ILE 29 -5.834 2.178 -2.447
195 HA ILE 29 HA ILE 29 -4.057 3.727 -3.685
196 HB ILE 29 HB ILE 29 -6.551 3.848 -3.964
197 HG12 ILE 29 1HG1 ILE 29 -5.192 6.542 -3.778
198 HG13 ILE 29 2HG1 ILE 29 -4.919 5.391 -5.081
199 HG21 ILE 29 1HG2 ILE 29 -7.791 5.494 -2.675
200 HG22 ILE 29 2HG2 ILE 29 -7.107 4.264 -1.614
201 HG23 ILE 29 3HG2 ILE 29 -6.352 5.854 -1.722
202 HD11 ILE 29 3HD1 ILE 29 -7.126 7.240 -4.638
203 HD12 ILE 29 1HD1 ILE 29 -6.545 6.495 -6.127
204 HD13 ILE 29 2HD1 ILE 29 -7.638 5.607 -5.065
205 H GLU 30 H GLU 30 -5.171 4.255 -0.386
206 HA GLU 30 HA GLU 30 -3.905 6.761 -0.009
207 HB2 GLU 30 1HB GLU 30 -5.100 4.689 1.772
208 HB3 GLU 30 2HB GLU 30 -4.056 5.902 2.499
209 HG2 GLU 30 1HG GLU 30 -5.469 7.673 1.685
210 HG3 GLU 30 2HG GLU 30 -6.471 6.516 0.812
211 H HIS 31 H HIS 31 -2.970 3.476 1.011
212 HA HIS 31 HA HIS 31 -0.515 4.127 2.151
213 HB2 HIS 31 1HB HIS 31 -1.276 1.956 2.586
214 HB3 HIS 31 2HB HIS 31 -1.589 1.623 0.885
215 HD1 HIS 31 HD1 HIS 31 1.198 1.767 3.395
216 HD2 HIS 31 HD2 HIS 31 0.570 0.629 -0.551
217 HE1 HIS 31 HE1 HIS 31 3.280 0.535 2.711
218 H GLN 32 H GLN 32 -1.319 3.316 -1.199
219 HA GLN 32 HA GLN 32 1.121 3.054 -2.363
220 HB2 GLN 32 1HB GLN 32 -1.369 4.424 -3.342
221 HB3 GLN 32 2HB GLN 32 0.065 4.319 -4.354
222 HG2 GLN 32 1HG GLN 32 -0.053 1.788 -3.848
223 HG3 GLN 32 2HG GLN 32 -1.717 2.132 -3.377
224 HE21 GLN 32 1HE2 GLN 32 0.516 1.829 -5.976
225 HE22 GLN 32 2HE2 GLN 32 -0.623 2.005 -7.264
226 H VAL 33 H VAL 33 -0.460 6.104 -1.500
227 HA VAL 33 HA VAL 33 1.135 7.991 -2.594
228 HB VAL 33 HB VAL 33 0.188 7.994 0.275
229 HG11 VAL 33 1HG1 VAL 33 1.995 9.694 -0.624
230 HG12 VAL 33 2HG1 VAL 33 0.573 10.480 -1.312
231 HG13 VAL 33 3HG1 VAL 33 0.682 10.221 0.429
232 HG21 VAL 33 3HG2 VAL 33 -1.873 8.421 -0.464
233 HG22 VAL 33 1HG2 VAL 33 -1.288 9.615 -1.623
234 HG23 VAL 33 2HG2 VAL 33 -1.310 7.905 -2.053
235 H LEU 34 H LEU 34 1.936 5.973 0.186
236 HA LEU 34 HA LEU 34 4.247 7.220 1.061
237 HB2 LEU 34 1HB LEU 34 3.557 4.291 0.955
238 HB3 LEU 34 2HB LEU 34 4.956 4.937 1.810
239 HG LEU 34 HG LEU 34 2.132 5.761 2.449
240 HD11 LEU 34 1HD1 LEU 34 2.893 4.143 4.496
241 HD12 LEU 34 2HD1 LEU 34 3.565 3.293 3.106
242 HD13 LEU 34 3HD1 LEU 34 1.841 3.659 3.165
243 HD21 LEU 34 3HD2 LEU 34 4.044 7.212 3.158
244 HD22 LEU 34 1HD2 LEU 34 4.635 5.859 4.122
245 HD23 LEU 34 2HD2 LEU 34 3.067 6.581 4.485
246 H HIS 35 H HIS 35 3.837 4.871 -1.554
247 HA HIS 35 HA HIS 35 6.668 5.052 -2.227
248 HB2 HIS 35 1HB HIS 35 4.534 3.453 -3.646
249 HB3 HIS 35 2HB HIS 35 6.279 3.235 -3.743
250 HD1 HIS 35 HD1 HIS 35 7.358 2.640 -1.219
251 HD2 HIS 35 HD2 HIS 35 3.382 1.692 -1.962
252 HE1 HIS 35 HE1 HIS 35 6.750 0.903 0.494
253 H MET 36 H MET 36 4.819 7.339 -2.551
254 HA MET 36 HA MET 36 5.149 7.731 -5.453
255 HB2 MET 36 1HB MET 36 2.893 8.436 -3.630
256 HB3 MET 36 2HB MET 36 3.240 9.502 -4.984
257 HG2 MET 36 1HG MET 36 2.738 6.548 -5.247
258 HG3 MET 36 2HG MET 36 1.501 7.789 -5.436
259 HE1 MET 36 3HE MET 36 2.693 9.736 -8.571
260 HE2 MET 36 1HE MET 36 1.707 9.749 -7.109
261 HE3 MET 36 2HE MET 36 3.433 10.099 -7.011
262 H GLY 37 H GLY 37 7.244 8.289 -3.778
263 HA2 GLY 37 1HA GLY 37 8.755 9.963 -3.347
264 HA3 GLY 37 2HA GLY 37 7.773 10.998 -4.373
265 H GLN 38 H GLN 38 9.167 11.605 -1.859
266 HA GLN 38 HA GLN 38 7.562 11.758 0.369
267 HB2 GLN 38 1HB GLN 38 8.851 13.893 0.883
268 HB3 GLN 38 2HB GLN 38 9.807 12.444 0.600
269 HG2 GLN 38 1HG GLN 38 10.360 13.166 -1.614
270 HG3 GLN 38 2HG GLN 38 9.258 14.536 -1.490
271 HE21 GLN 38 1HE2 GLN 38 12.056 14.605 -2.094
272 HE22 GLN 38 2HE2 GLN 38 12.821 15.533 -0.853
273 H LYS 39 H LYS 39 5.590 12.542 0.631
274 HA LYS 39 HA LYS 39 3.996 13.877 -1.058
275 HB2 LYS 39 1HB LYS 39 2.652 14.565 0.774
276 HB3 LYS 39 2HB LYS 39 3.424 13.064 1.268
277 HG2 LYS 39 1HG LYS 39 4.755 15.624 1.972
278 HG3 LYS 39 2HG LYS 39 3.309 15.150 2.867
279 HD2 LYS 39 1HD LYS 39 4.334 13.059 3.501
280 HD3 LYS 39 2HD LYS 39 5.743 13.406 2.496
281 HE2 LYS 39 1HE LYS 39 6.130 15.440 3.914
282 HE3 LYS 39 2HE LYS 39 4.857 14.856 4.985
283 HZ1 LYS 39 3HZ LYS 39 6.142 13.149 5.736
284 HZ2 LYS 39 1HZ LYS 39 7.359 14.280 5.417
285 HZ3 LYS 39 2HZ LYS 39 7.052 13.035 4.314
286 H ASN 40 H ASN 40 3.379 16.045 -1.459
287 HA ASN 40 HA ASN 40 5.524 17.837 -1.795
288 HB2 ASN 40 1HB ASN 40 3.564 19.502 -2.221
289 HB3 ASN 40 2HB ASN 40 3.799 18.151 -3.326
290 HD21 ASN 40 1HD2 ASN 40 2.054 17.050 -3.814
291 HD22 ASN 40 2HD2 ASN 40 0.622 16.928 -2.856
292 H SER 41 H SER 41 6.444 19.202 -0.420
293 HA SER 41 HA SER 41 4.960 19.949 2.014
294 HB2 SER 41 1HB SER 41 7.022 18.483 2.295
295 HB3 SER 41 2HB SER 41 7.969 19.869 1.753
296 HG SER 41 HG SER 41 6.137 20.049 3.899
297 H GLY 42 H GLY 42 5.434 22.069 2.912
298 HA2 GLY 42 1HA GLY 42 6.402 23.992 0.892
299 HA3 GLY 42 2HA GLY 42 4.902 24.270 1.766
300 HA PRO 43 HA PRO 43 7.211 26.533 4.739
301 HB2 PRO 43 1HB PRO 43 5.497 26.379 6.839
302 HB3 PRO 43 2HB PRO 43 5.198 27.399 5.427
303 HG2 PRO 43 1HG PRO 43 4.102 24.689 6.072
304 HG3 PRO 43 2HG PRO 43 3.266 26.105 5.409
305 HD2 PRO 43 1HD PRO 43 4.080 24.038 3.862
306 HD3 PRO 43 2HD PRO 43 4.027 25.711 3.270
307 H SER 44 H SER 44 8.151 26.341 6.921
308 HA SER 44 HA SER 44 9.384 23.825 7.296
309 HB2 SER 44 1HB SER 44 10.387 26.034 7.929
310 HB3 SER 44 2HB SER 44 9.256 26.108 9.280
311 HG SER 44 HG SER 44 11.547 24.617 8.975
312 H SER 45 H SER 45 6.822 25.518 9.070
313 HA SER 45 HA SER 45 6.464 23.847 11.213
314 HB2 SER 45 1HB SER 45 4.420 25.336 9.561
315 HB3 SER 45 2HB SER 45 4.006 24.492 11.053
316 HG SER 45 HG SER 45 5.965 25.863 11.823
317 H GLY 46 H GLY 46 4.977 23.499 7.994
318 HA2 GLY 46 1HA GLY 46 4.824 21.332 6.951
319 HA3 GLY 46 2HA GLY 46 4.696 20.620 8.552
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -9.785 -31.257 -18.662
2 HA2 GLY 1 1HA GLY 1 -9.849 -29.926 -16.690
3 HA3 GLY 1 2HA GLY 1 -8.544 -29.234 -17.643
4 H SER 2 H SER 2 -10.706 -28.191 -15.698
5 HA SER 2 HA SER 2 -11.767 -26.063 -17.432
6 HB2 SER 2 1HB SER 2 -12.728 -27.170 -14.794
7 HB3 SER 2 2HB SER 2 -13.325 -25.646 -15.451
8 HG SER 2 HG SER 2 -13.943 -26.849 -17.339
9 H SER 3 H SER 3 -9.738 -24.938 -17.386
10 HA SER 3 HA SER 3 -8.279 -23.362 -16.634
11 HB2 SER 3 1HB SER 3 -10.363 -22.088 -16.299
12 HB3 SER 3 2HB SER 3 -10.510 -22.760 -14.675
13 HG SER 3 HG SER 3 -9.119 -21.344 -13.996
14 H GLY 4 H GLY 4 -7.833 -25.920 -15.644
15 HA2 GLY 4 1HA GLY 4 -6.851 -27.098 -13.918
16 HA3 GLY 4 2HA GLY 4 -5.940 -25.608 -13.719
17 H SER 5 H SER 5 -5.826 -25.247 -11.598
18 HA SER 5 HA SER 5 -8.336 -25.340 -10.056
19 HB2 SER 5 1HB SER 5 -5.545 -26.140 -9.236
20 HB3 SER 5 2HB SER 5 -6.812 -25.803 -8.057
21 HG SER 5 HG SER 5 -7.992 -27.503 -8.851
22 H SER 6 H SER 6 -8.831 -23.180 -10.245
23 HA SER 6 HA SER 6 -7.451 -21.403 -8.482
24 HB2 SER 6 1HB SER 6 -7.043 -21.183 -11.429
25 HB3 SER 6 2HB SER 6 -7.231 -19.691 -10.508
26 HG SER 6 HG SER 6 -5.127 -21.433 -10.603
27 H GLY 7 H GLY 7 -8.544 -19.322 -8.273
28 HA2 GLY 7 1HA GLY 7 -11.390 -19.579 -8.986
29 HA3 GLY 7 2HA GLY 7 -10.762 -18.654 -7.630
30 H SER 8 H SER 8 -12.484 -18.016 -10.064
31 HA SER 8 HA SER 8 -10.950 -16.161 -11.614
32 HB2 SER 8 1HB SER 8 -13.209 -15.460 -12.481
33 HB3 SER 8 2HB SER 8 -12.863 -17.181 -12.653
34 HG SER 8 HG SER 8 -14.996 -16.559 -11.773
35 H ARG 9 H ARG 9 -13.447 -15.806 -9.102
36 HA ARG 9 HA ARG 9 -13.160 -12.961 -8.976
37 HB2 ARG 9 1HB ARG 9 -15.272 -14.100 -8.406
38 HB3 ARG 9 2HB ARG 9 -14.483 -14.861 -7.031
39 HG2 ARG 9 1HG ARG 9 -15.715 -13.039 -6.180
40 HG3 ARG 9 2HG ARG 9 -14.019 -12.549 -6.156
41 HD2 ARG 9 1HD ARG 9 -15.262 -10.705 -6.989
42 HD3 ARG 9 2HD ARG 9 -14.421 -11.421 -8.364
43 HE ARG 9 HE ARG 9 -17.074 -12.443 -8.029
44 HH11 ARG 9 1HH1 ARG 9 -15.191 -9.823 -9.337
45 HH12 ARG 9 2HH1 ARG 9 -16.368 -9.403 -10.536
46 HH21 ARG 9 1HH2 ARG 9 -18.632 -11.899 -9.603
47 HH22 ARG 9 2HH2 ARG 9 -18.326 -10.583 -10.686
48 H GLU 10 H GLU 10 -11.244 -12.176 -8.329
49 HA GLU 10 HA GLU 10 -9.943 -13.381 -5.988
50 HB2 GLU 10 1HB GLU 10 -8.829 -11.433 -8.014
51 HB3 GLU 10 2HB GLU 10 -7.930 -12.177 -6.699
52 HG2 GLU 10 1HG GLU 10 -7.838 -14.219 -7.726
53 HG3 GLU 10 2HG GLU 10 -9.303 -13.935 -8.664
54 H LYS 11 H LYS 11 -10.796 -10.208 -7.349
55 HA LYS 11 HA LYS 11 -10.968 -8.145 -6.363
56 HB2 LYS 11 1HB LYS 11 -13.001 -9.668 -5.612
57 HB3 LYS 11 2HB LYS 11 -12.278 -9.457 -4.023
58 HG2 LYS 11 1HG LYS 11 -12.355 -6.972 -4.452
59 HG3 LYS 11 2HG LYS 11 -13.352 -7.338 -5.862
60 HD2 LYS 11 1HD LYS 11 -15.123 -8.083 -4.580
61 HD3 LYS 11 2HD LYS 11 -14.096 -8.465 -3.196
62 HE2 LYS 11 1HE LYS 11 -14.524 -5.644 -4.138
63 HE3 LYS 11 2HE LYS 11 -15.625 -6.427 -3.005
64 HZ1 LYS 11 3HZ LYS 11 -13.367 -6.935 -1.783
65 HZ2 LYS 11 1HZ LYS 11 -14.186 -5.472 -1.553
66 HZ3 LYS 11 2HZ LYS 11 -12.866 -5.546 -2.608
67 H SER 12 H SER 12 -8.474 -9.237 -5.837
68 HA SER 12 HA SER 12 -7.981 -8.321 -3.079
69 HB2 SER 12 1HB SER 12 -6.373 -10.385 -4.602
70 HB3 SER 12 2HB SER 12 -6.122 -9.881 -2.930
71 HG SER 12 HG SER 12 -7.668 -11.171 -2.329
72 H HIS 13 H HIS 13 -5.880 -7.324 -2.716
73 HA HIS 13 HA HIS 13 -4.601 -6.241 -5.121
74 HB2 HIS 13 1HB HIS 13 -5.829 -4.670 -2.873
75 HB3 HIS 13 2HB HIS 13 -4.479 -4.011 -3.792
76 HD1 HIS 13 HD1 HIS 13 -5.234 -4.783 -6.626
77 HD2 HIS 13 HD2 HIS 13 -7.965 -3.324 -3.855
78 HE1 HIS 13 HE1 HIS 13 -7.123 -3.826 -7.983
79 H GLN 14 H GLN 14 -2.440 -5.531 -4.818
80 HA GLN 14 HA GLN 14 -1.194 -6.047 -2.237
81 HB2 GLN 14 1HB GLN 14 -1.159 -8.199 -3.522
82 HB3 GLN 14 2HB GLN 14 -0.190 -7.393 -4.748
83 HG2 GLN 14 1HG GLN 14 1.425 -6.854 -2.830
84 HG3 GLN 14 2HG GLN 14 0.545 -8.091 -1.934
85 HE21 GLN 14 1HE2 GLN 14 2.435 -7.482 -4.832
86 HE22 GLN 14 2HE2 GLN 14 2.988 -9.105 -5.038
87 H CYS 15 H CYS 15 0.802 -5.020 -1.954
88 HA CYS 15 HA CYS 15 1.390 -2.972 -3.982
89 HB2 CYS 15 1HB CYS 15 0.720 -2.093 -1.789
90 HB3 CYS 15 2HB CYS 15 2.026 -2.992 -1.024
91 H ARG 16 H ARG 16 2.663 -4.509 -5.195
92 HA ARG 16 HA ARG 16 4.743 -6.057 -4.415
93 HB2 ARG 16 1HB ARG 16 4.355 -4.345 -6.842
94 HB3 ARG 16 2HB ARG 16 5.867 -5.217 -6.626
95 HG2 ARG 16 1HG ARG 16 4.573 -7.319 -6.431
96 HG3 ARG 16 2HG ARG 16 3.106 -6.405 -6.788
97 HD2 ARG 16 1HD ARG 16 3.668 -7.197 -8.875
98 HD3 ARG 16 2HD ARG 16 4.449 -5.616 -8.881
99 HE ARG 16 HE ARG 16 6.289 -7.478 -7.918
100 HH11 ARG 16 1HH1 ARG 16 4.583 -6.745 -10.863
101 HH12 ARG 16 2HH1 ARG 16 5.821 -7.384 -11.893
102 HH21 ARG 16 1HH2 ARG 16 7.926 -8.322 -9.264
103 HH22 ARG 16 2HH2 ARG 16 7.722 -8.282 -10.982
104 H GLU 17 H GLU 17 4.880 -2.551 -4.951
105 HA GLU 17 HA GLU 17 7.453 -1.890 -4.745
106 HB2 GLU 17 1HB GLU 17 5.021 -0.685 -3.527
107 HB3 GLU 17 2HB GLU 17 6.580 -0.066 -3.004
108 HG2 GLU 17 1HG GLU 17 6.193 1.341 -4.734
109 HG3 GLU 17 2HG GLU 17 7.008 0.044 -5.607
110 H CYS 18 H CYS 18 5.488 -2.456 -1.820
111 HA CYS 18 HA CYS 18 7.976 -3.004 -0.351
112 HB2 CYS 18 1HB CYS 18 6.650 -2.585 1.689
113 HB3 CYS 18 2HB CYS 18 6.636 -1.203 0.598
114 H GLY 19 H GLY 19 4.645 -4.191 -0.753
115 HA2 GLY 19 1HA GLY 19 4.387 -6.596 -1.184
116 HA3 GLY 19 2HA GLY 19 5.632 -6.865 0.026
117 H GLU 20 H GLU 20 2.479 -5.217 -0.247
118 HA GLU 20 HA GLU 20 1.684 -6.536 2.255
119 HB2 GLU 20 1HB GLU 20 2.367 -4.175 2.694
120 HB3 GLU 20 2HB GLU 20 1.101 -3.645 1.595
121 HG2 GLU 20 1HG GLU 20 -0.598 -4.288 3.033
122 HG3 GLU 20 2HG GLU 20 0.447 -5.385 3.934
123 H ILE 21 H ILE 21 -0.513 -7.009 2.456
124 HA ILE 21 HA ILE 21 -1.992 -6.928 -0.081
125 HB ILE 21 HB ILE 21 -2.444 -8.686 2.333
126 HG12 ILE 21 1HG1 ILE 21 -1.424 -9.505 -0.386
127 HG13 ILE 21 2HG1 ILE 21 -0.346 -9.078 0.938
128 HG21 ILE 21 1HG2 ILE 21 -4.525 -8.660 1.407
129 HG22 ILE 21 2HG2 ILE 21 -3.924 -8.282 -0.206
130 HG23 ILE 21 3HG2 ILE 21 -3.794 -9.925 0.421
131 HD11 ILE 21 3HD1 ILE 21 -2.428 -11.128 1.442
132 HD12 ILE 21 1HD1 ILE 21 -1.036 -11.570 0.455
133 HD13 ILE 21 2HD1 ILE 21 -0.799 -10.979 2.100
134 H PHE 22 H PHE 22 -3.791 -5.759 -0.279
135 HA PHE 22 HA PHE 22 -5.041 -4.705 2.173
136 HB2 PHE 22 1HB PHE 22 -5.062 -3.244 -0.459
137 HB3 PHE 22 2HB PHE 22 -5.393 -2.610 1.150
138 HD1 PHE 22 HD1 PHE 22 -2.653 -4.126 -0.861
139 HD2 PHE 22 HD2 PHE 22 -3.737 -1.475 2.287
140 HE1 PHE 22 HE1 PHE 22 -0.310 -3.398 -0.673
141 HE2 PHE 22 HE2 PHE 22 -1.397 -0.742 2.480
142 HZ PHE 22 HZ PHE 22 0.320 -1.702 0.999
143 H PHE 23 H PHE 23 -7.122 -5.173 2.433
144 HA PHE 23 HA PHE 23 -8.525 -6.640 0.385
145 HB2 PHE 23 1HB PHE 23 -10.361 -6.699 2.124
146 HB3 PHE 23 2HB PHE 23 -8.832 -7.419 2.617
147 HD1 PHE 23 HD2 PHE 23 -7.417 -6.326 4.269
148 HD2 PHE 23 HD1 PHE 23 -11.184 -4.693 3.149
149 HE1 PHE 23 HE2 PHE 23 -7.373 -4.874 6.254
150 HE2 PHE 23 HE1 PHE 23 -11.147 -3.237 5.132
151 HZ PHE 23 HZ PHE 23 -9.240 -3.327 6.689
152 H GLN 24 H GLN 24 -8.868 -3.509 2.006
153 HA GLN 24 HA GLN 24 -11.103 -2.801 0.280
154 HB2 GLN 24 1HB GLN 24 -10.800 -2.247 2.830
155 HB3 GLN 24 2HB GLN 24 -9.849 -0.899 2.220
156 HG2 GLN 24 1HG GLN 24 -11.664 0.125 1.252
157 HG3 GLN 24 2HG GLN 24 -12.578 -1.377 1.127
158 HE21 GLN 24 1HE2 GLN 24 -11.109 0.659 3.638
159 HE22 GLN 24 2HE2 GLN 24 -12.443 0.568 4.732
160 H TYR 25 H TYR 25 -10.833 -1.798 -1.592
161 HA TYR 25 HA TYR 25 -8.442 -1.158 -2.768
162 HB2 TYR 25 1HB TYR 25 -10.574 -1.303 -3.987
163 HB3 TYR 25 2HB TYR 25 -11.099 0.207 -3.251
164 HD1 TYR 25 HD1 TYR 25 -8.292 -1.161 -5.302
165 HD2 TYR 25 HD2 TYR 25 -10.778 2.177 -4.419
166 HE1 TYR 25 HE1 TYR 25 -7.256 0.091 -7.149
167 HE2 TYR 25 HE2 TYR 25 -9.750 3.438 -6.265
168 HH TYR 25 HH TYR 25 -7.045 2.943 -7.546
169 H VAL 26 H VAL 26 -10.427 0.840 -0.669
170 HA VAL 26 HA VAL 26 -9.181 3.311 -1.088
171 HB VAL 26 HB VAL 26 -10.453 2.246 1.437
172 HG11 VAL 26 1HG1 VAL 26 -9.779 5.078 0.644
173 HG12 VAL 26 2HG1 VAL 26 -10.704 4.605 2.071
174 HG13 VAL 26 3HG1 VAL 26 -9.009 4.141 1.923
175 HG21 VAL 26 3HG2 VAL 26 -12.267 2.291 0.100
176 HG22 VAL 26 1HG2 VAL 26 -12.203 4.027 0.401
177 HG23 VAL 26 2HG2 VAL 26 -11.505 3.362 -1.075
178 H SER 27 H SER 27 -8.373 0.649 1.090
179 HA SER 27 HA SER 27 -6.340 1.962 2.528
180 HB2 SER 27 1HB SER 27 -7.387 -0.160 3.257
181 HB3 SER 27 2HB SER 27 -6.591 -0.995 1.923
182 HG SER 27 HG SER 27 -5.503 -1.070 4.028
183 H LEU 28 H LEU 28 -6.396 0.459 -0.604
184 HA LEU 28 HA LEU 28 -3.532 0.304 -0.862
185 HB2 LEU 28 1HB LEU 28 -4.866 -1.300 -2.039
186 HB3 LEU 28 2HB LEU 28 -5.779 -0.023 -2.840
187 HG LEU 28 HG LEU 28 -3.650 0.630 -4.006
188 HD11 LEU 28 1HD1 LEU 28 -2.010 -1.365 -4.119
189 HD12 LEU 28 2HD1 LEU 28 -2.707 -1.814 -2.562
190 HD13 LEU 28 3HD1 LEU 28 -1.913 -0.251 -2.755
191 HD21 LEU 28 3HD2 LEU 28 -5.178 -0.530 -5.326
192 HD22 LEU 28 1HD2 LEU 28 -4.982 -2.025 -4.411
193 HD23 LEU 28 2HD2 LEU 28 -3.697 -1.475 -5.486
194 H ILE 29 H ILE 29 -6.017 2.154 -2.637
195 HA ILE 29 HA ILE 29 -4.347 3.862 -4.009
196 HB ILE 29 HB ILE 29 -6.892 3.648 -4.176
197 HG12 ILE 29 1HG1 ILE 29 -5.693 6.426 -4.222
198 HG13 ILE 29 2HG1 ILE 29 -5.505 5.227 -5.497
199 HG21 ILE 29 1HG2 ILE 29 -6.979 5.975 -2.304
200 HG22 ILE 29 2HG2 ILE 29 -8.280 4.906 -2.824
201 HG23 ILE 29 3HG2 ILE 29 -7.071 4.330 -1.676
202 HD11 ILE 29 3HD1 ILE 29 -8.182 5.296 -5.314
203 HD12 ILE 29 1HD1 ILE 29 -7.794 6.947 -4.834
204 HD13 ILE 29 2HD1 ILE 29 -7.244 6.329 -6.392
205 H GLU 30 H GLU 30 -5.406 4.032 -0.670
206 HA GLU 30 HA GLU 30 -4.413 6.679 -0.215
207 HB2 GLU 30 1HB GLU 30 -5.393 4.471 1.574
208 HB3 GLU 30 2HB GLU 30 -4.668 5.926 2.245
209 HG2 GLU 30 1HG GLU 30 -6.417 7.125 0.702
210 HG3 GLU 30 2HG GLU 30 -7.252 5.577 0.817
211 H HIS 31 H HIS 31 -3.221 3.406 0.397
212 HA HIS 31 HA HIS 31 -0.915 4.108 1.836
213 HB2 HIS 31 1HB HIS 31 -1.626 1.830 1.867
214 HB3 HIS 31 2HB HIS 31 -1.558 1.715 0.111
215 HD1 HIS 31 HD1 HIS 31 0.734 1.990 3.106
216 HD2 HIS 31 HD2 HIS 31 0.856 0.912 -0.905
217 HE1 HIS 31 HE1 HIS 31 3.022 1.010 2.742
218 H GLN 32 H GLN 32 -1.394 3.543 -1.639
219 HA GLN 32 HA GLN 32 1.049 3.656 -2.707
220 HB2 GLN 32 1HB GLN 32 -1.512 4.929 -3.542
221 HB3 GLN 32 2HB GLN 32 -0.055 5.355 -4.430
222 HG2 GLN 32 1HG GLN 32 0.338 3.009 -4.941
223 HG3 GLN 32 2HG GLN 32 -1.101 2.562 -4.025
224 HE21 GLN 32 1HE2 GLN 32 -0.243 2.399 -6.940
225 HE22 GLN 32 2HE2 GLN 32 -1.599 3.031 -7.803
226 H VAL 33 H VAL 33 -0.733 6.622 -1.836
227 HA VAL 33 HA VAL 33 0.971 8.595 -2.416
228 HB VAL 33 HB VAL 33 -0.384 8.305 0.269
229 HG11 VAL 33 1HG1 VAL 33 1.501 10.105 -0.210
230 HG12 VAL 33 2HG1 VAL 33 0.152 10.946 -0.976
231 HG13 VAL 33 3HG1 VAL 33 0.058 10.493 0.726
232 HG21 VAL 33 3HG2 VAL 33 -1.573 8.360 -2.186
233 HG22 VAL 33 1HG2 VAL 33 -2.325 8.901 -0.685
234 HG23 VAL 33 2HG2 VAL 33 -1.552 10.070 -1.756
235 H LEU 34 H LEU 34 1.250 6.688 0.585
236 HA LEU 34 HA LEU 34 3.433 7.762 1.755
237 HB2 LEU 34 1HB LEU 34 2.759 4.852 1.398
238 HB3 LEU 34 2HB LEU 34 4.058 5.415 2.447
239 HG LEU 34 HG LEU 34 1.163 6.190 2.782
240 HD11 LEU 34 1HD1 LEU 34 2.468 4.357 4.691
241 HD12 LEU 34 2HD1 LEU 34 2.039 3.679 3.121
242 HD13 LEU 34 3HD1 LEU 34 0.797 4.418 4.131
243 HD21 LEU 34 3HD2 LEU 34 1.973 6.808 5.064
244 HD22 LEU 34 1HD2 LEU 34 2.626 7.804 3.762
245 HD23 LEU 34 2HD2 LEU 34 3.620 6.543 4.491
246 H HIS 35 H HIS 35 3.590 5.265 -0.784
247 HA HIS 35 HA HIS 35 6.420 5.391 -1.028
248 HB2 HIS 35 1HB HIS 35 4.267 4.248 -2.810
249 HB3 HIS 35 2HB HIS 35 5.983 4.132 -3.192
250 HD1 HIS 35 HD1 HIS 35 7.306 3.200 -0.757
251 HD2 HIS 35 HD2 HIS 35 3.488 1.899 -1.754
252 HE1 HIS 35 HE1 HIS 35 6.988 1.034 0.483
253 H MET 36 H MET 36 3.870 6.418 -3.309
254 HA MET 36 HA MET 36 5.353 7.699 -5.185
255 HB2 MET 36 1HB MET 36 2.859 7.462 -5.169
256 HB3 MET 36 2HB MET 36 2.785 8.820 -4.053
257 HG2 MET 36 1HG MET 36 2.325 9.469 -6.371
258 HG3 MET 36 2HG MET 36 3.734 10.289 -5.703
259 HE1 MET 36 3HE MET 36 3.853 6.461 -7.836
260 HE2 MET 36 1HE MET 36 2.393 7.383 -7.476
261 HE3 MET 36 2HE MET 36 3.148 7.513 -9.064
262 H GLY 37 H GLY 37 6.217 9.754 -5.509
263 HA2 GLY 37 1HA GLY 37 7.060 11.831 -4.945
264 HA3 GLY 37 2HA GLY 37 6.099 11.777 -3.475
265 H GLN 38 H GLN 38 8.839 9.938 -4.834
266 HA GLN 38 HA GLN 38 10.001 9.104 -2.503
267 HB2 GLN 38 1HB GLN 38 11.483 10.067 -4.955
268 HB3 GLN 38 2HB GLN 38 12.119 8.992 -3.718
269 HG2 GLN 38 1HG GLN 38 10.400 7.334 -4.312
270 HG3 GLN 38 2HG GLN 38 9.844 8.405 -5.598
271 HE21 GLN 38 1HE2 GLN 38 10.519 7.773 -7.505
272 HE22 GLN 38 2HE2 GLN 38 12.052 7.062 -7.867
273 H LYS 39 H LYS 39 12.117 9.891 -1.553
274 HA LYS 39 HA LYS 39 11.873 12.768 -1.012
275 HB2 LYS 39 1HB LYS 39 13.248 10.611 0.600
276 HB3 LYS 39 2HB LYS 39 13.116 12.303 1.059
277 HG2 LYS 39 1HG LYS 39 10.619 10.793 0.494
278 HG3 LYS 39 2HG LYS 39 11.471 10.489 2.010
279 HD2 LYS 39 1HD LYS 39 10.896 13.296 1.148
280 HD3 LYS 39 2HD LYS 39 9.631 12.328 1.910
281 HE2 LYS 39 1HE LYS 39 12.353 12.615 3.143
282 HE3 LYS 39 2HE LYS 39 11.089 13.814 3.412
283 HZ1 LYS 39 3HZ LYS 39 10.202 12.508 4.942
284 HZ2 LYS 39 1HZ LYS 39 11.450 11.386 4.726
285 HZ3 LYS 39 2HZ LYS 39 10.023 11.248 3.828
286 H ASN 40 H ASN 40 13.378 14.117 -1.739
287 HA ASN 40 HA ASN 40 15.878 12.985 -2.785
288 HB2 ASN 40 1HB ASN 40 14.934 15.790 -3.308
289 HB3 ASN 40 2HB ASN 40 15.993 14.779 -4.287
290 HD21 ASN 40 1HD2 ASN 40 12.842 15.855 -3.778
291 HD22 ASN 40 2HD2 ASN 40 12.040 14.820 -4.906
292 H SER 41 H SER 41 16.963 12.848 -0.786
293 HA SER 41 HA SER 41 17.872 15.453 0.237
294 HB2 SER 41 1HB SER 41 17.984 14.405 2.517
295 HB3 SER 41 2HB SER 41 16.345 14.599 1.896
296 HG SER 41 HG SER 41 17.269 12.431 2.830
297 H GLY 42 H GLY 42 19.199 14.020 -1.735
298 HA2 GLY 42 1HA GLY 42 21.793 13.825 -0.638
299 HA3 GLY 42 2HA GLY 42 21.139 12.209 -0.860
300 HA PRO 43 HA PRO 43 22.443 12.236 -5.042
301 HB2 PRO 43 1HB PRO 43 20.527 10.713 -6.216
302 HB3 PRO 43 2HB PRO 43 21.767 10.043 -5.149
303 HG2 PRO 43 1HG PRO 43 18.924 10.753 -4.537
304 HG3 PRO 43 2HG PRO 43 19.851 9.323 -4.046
305 HD2 PRO 43 1HD PRO 43 19.425 11.424 -2.391
306 HD3 PRO 43 2HD PRO 43 20.903 10.442 -2.326
307 H SER 44 H SER 44 21.907 12.939 -7.199
308 HA SER 44 HA SER 44 20.001 15.136 -7.176
309 HB2 SER 44 1HB SER 44 21.108 15.947 -9.108
310 HB3 SER 44 2HB SER 44 22.390 15.294 -8.088
311 HG SER 44 HG SER 44 21.791 13.270 -9.462
312 H SER 45 H SER 45 18.751 15.491 -9.275
313 HA SER 45 HA SER 45 17.474 12.945 -10.027
314 HB2 SER 45 1HB SER 45 16.331 15.746 -9.931
315 HB3 SER 45 2HB SER 45 15.467 14.340 -10.551
316 HG SER 45 HG SER 45 15.206 13.605 -8.570
317 H GLY 46 H GLY 46 16.302 13.155 -12.234
318 HA2 GLY 46 1HA GLY 46 18.342 13.721 -14.184
319 HA3 GLY 46 2HA GLY 46 16.745 13.061 -14.504
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -22.325 -23.767 -19.037
2 HA2 GLY 1 1HA GLY 1 -23.576 -24.326 -16.713
3 HA3 GLY 1 2HA GLY 1 -21.973 -24.992 -16.439
4 H SER 2 H SER 2 -22.960 -22.982 -14.837
5 HA SER 2 HA SER 2 -20.952 -20.954 -15.235
6 HB2 SER 2 1HB SER 2 -23.891 -20.292 -15.430
7 HB3 SER 2 2HB SER 2 -22.675 -19.085 -15.013
8 HG SER 2 HG SER 2 -23.202 -20.314 -17.437
9 H SER 3 H SER 3 -20.544 -19.722 -13.364
10 HA SER 3 HA SER 3 -22.080 -20.407 -10.966
11 HB2 SER 3 1HB SER 3 -19.060 -20.573 -11.095
12 HB3 SER 3 2HB SER 3 -20.072 -20.911 -9.691
13 HG SER 3 HG SER 3 -19.414 -22.810 -10.840
14 H GLY 4 H GLY 4 -21.121 -19.072 -9.035
15 HA2 GLY 4 1HA GLY 4 -21.408 -16.329 -9.748
16 HA3 GLY 4 2HA GLY 4 -21.033 -16.950 -8.148
17 H SER 5 H SER 5 -18.644 -18.295 -8.725
18 HA SER 5 HA SER 5 -16.889 -16.048 -9.477
19 HB2 SER 5 1HB SER 5 -16.567 -18.124 -7.308
20 HB3 SER 5 2HB SER 5 -15.224 -17.136 -7.883
21 HG SER 5 HG SER 5 -17.662 -16.046 -6.934
22 H SER 6 H SER 6 -17.803 -17.829 -11.397
23 HA SER 6 HA SER 6 -16.592 -20.113 -12.039
24 HB2 SER 6 1HB SER 6 -16.762 -17.740 -13.913
25 HB3 SER 6 2HB SER 6 -16.577 -19.424 -14.404
26 HG SER 6 HG SER 6 -18.818 -18.070 -13.694
27 H GLY 7 H GLY 7 -14.588 -20.839 -11.813
28 HA2 GLY 7 1HA GLY 7 -12.314 -20.920 -12.479
29 HA3 GLY 7 2HA GLY 7 -12.368 -19.189 -12.780
30 H SER 8 H SER 8 -10.233 -19.660 -11.534
31 HA SER 8 HA SER 8 -10.776 -19.241 -8.668
32 HB2 SER 8 1HB SER 8 -8.552 -20.789 -9.996
33 HB3 SER 8 2HB SER 8 -8.448 -20.238 -8.324
34 HG SER 8 HG SER 8 -10.125 -21.544 -7.782
35 H ARG 9 H ARG 9 -10.871 -16.961 -9.239
36 HA ARG 9 HA ARG 9 -8.229 -15.781 -9.780
37 HB2 ARG 9 1HB ARG 9 -11.022 -14.904 -10.383
38 HB3 ARG 9 2HB ARG 9 -9.783 -13.679 -10.144
39 HG2 ARG 9 1HG ARG 9 -9.642 -13.952 -12.398
40 HG3 ARG 9 2HG ARG 9 -8.463 -15.156 -11.876
41 HD2 ARG 9 1HD ARG 9 -11.304 -15.989 -12.161
42 HD3 ARG 9 2HD ARG 9 -10.357 -15.733 -13.627
43 HE ARG 9 HE ARG 9 -10.072 -17.877 -11.724
44 HH11 ARG 9 1HH1 ARG 9 -8.528 -16.033 -14.242
45 HH12 ARG 9 2HH1 ARG 9 -7.388 -17.277 -14.634
46 HH21 ARG 9 1HH2 ARG 9 -8.576 -19.523 -12.231
47 HH22 ARG 9 2HH2 ARG 9 -7.417 -19.262 -13.490
48 H GLU 10 H GLU 10 -7.285 -14.472 -8.318
49 HA GLU 10 HA GLU 10 -8.309 -14.424 -5.653
50 HB2 GLU 10 1HB GLU 10 -5.913 -13.141 -6.958
51 HB3 GLU 10 2HB GLU 10 -6.296 -12.914 -5.258
52 HG2 GLU 10 1HG GLU 10 -6.266 -15.443 -5.066
53 HG3 GLU 10 2HG GLU 10 -5.529 -15.447 -6.667
54 H LYS 11 H LYS 11 -7.588 -11.831 -7.993
55 HA LYS 11 HA LYS 11 -8.451 -9.745 -8.268
56 HB2 LYS 11 1HB LYS 11 -10.775 -11.080 -6.885
57 HB3 LYS 11 2HB LYS 11 -10.843 -9.415 -7.448
58 HG2 LYS 11 1HG LYS 11 -10.562 -10.090 -9.715
59 HG3 LYS 11 2HG LYS 11 -10.209 -11.751 -9.234
60 HD2 LYS 11 1HD LYS 11 -12.485 -11.968 -8.345
61 HD3 LYS 11 2HD LYS 11 -12.834 -10.311 -8.843
62 HE2 LYS 11 1HE LYS 11 -12.531 -10.894 -11.160
63 HE3 LYS 11 2HE LYS 11 -12.000 -12.517 -10.722
64 HZ1 LYS 11 3HZ LYS 11 -14.659 -11.478 -10.990
65 HZ2 LYS 11 1HZ LYS 11 -14.427 -12.294 -9.526
66 HZ3 LYS 11 2HZ LYS 11 -14.122 -13.083 -10.990
67 H SER 12 H SER 12 -6.794 -10.308 -5.972
68 HA SER 12 HA SER 12 -7.894 -8.761 -3.783
69 HB2 SER 12 1HB SER 12 -5.091 -9.859 -4.100
70 HB3 SER 12 2HB SER 12 -5.844 -9.295 -2.608
71 HG SER 12 HG SER 12 -7.307 -11.019 -2.761
72 H HIS 13 H HIS 13 -6.364 -7.062 -2.795
73 HA HIS 13 HA HIS 13 -5.443 -5.293 -4.964
74 HB2 HIS 13 1HB HIS 13 -6.629 -4.608 -2.269
75 HB3 HIS 13 2HB HIS 13 -5.916 -3.422 -3.357
76 HD1 HIS 13 HD1 HIS 13 -7.105 -3.839 -5.974
77 HD2 HIS 13 HD2 HIS 13 -9.306 -4.512 -2.515
78 HE1 HIS 13 HE1 HIS 13 -9.517 -3.687 -6.672
79 H GLN 14 H GLN 14 -3.684 -7.183 -4.036
80 HA GLN 14 HA GLN 14 -2.061 -6.268 -1.894
81 HB2 GLN 14 1HB GLN 14 -2.103 -8.617 -2.665
82 HB3 GLN 14 2HB GLN 14 -1.339 -8.123 -4.170
83 HG2 GLN 14 1HG GLN 14 0.594 -7.296 -2.831
84 HG3 GLN 14 2HG GLN 14 -0.161 -8.009 -1.406
85 HE21 GLN 14 1HE2 GLN 14 2.184 -8.955 -1.742
86 HE22 GLN 14 2HE2 GLN 14 2.210 -10.507 -2.502
87 H CYS 15 H CYS 15 0.045 -5.362 -1.985
88 HA CYS 15 HA CYS 15 0.380 -3.524 -4.237
89 HB2 CYS 15 1HB CYS 15 0.378 -2.497 -2.040
90 HB3 CYS 15 2HB CYS 15 1.651 -3.583 -1.493
91 H ARG 16 H ARG 16 1.528 -4.381 -5.853
92 HA ARG 16 HA ARG 16 3.687 -6.243 -5.333
93 HB2 ARG 16 1HB ARG 16 2.019 -6.414 -7.260
94 HB3 ARG 16 2HB ARG 16 2.909 -5.094 -8.008
95 HG2 ARG 16 1HG ARG 16 3.751 -7.077 -8.955
96 HG3 ARG 16 2HG ARG 16 4.972 -6.531 -7.803
97 HD2 ARG 16 1HD ARG 16 3.725 -8.092 -6.143
98 HD3 ARG 16 2HD ARG 16 3.071 -8.832 -7.604
99 HE ARG 16 HE ARG 16 5.730 -8.792 -8.078
100 HH11 ARG 16 1HH1 ARG 16 3.799 -9.933 -5.416
101 HH12 ARG 16 2HH1 ARG 16 4.906 -11.193 -4.983
102 HH21 ARG 16 1HH2 ARG 16 7.196 -10.447 -7.518
103 HH22 ARG 16 2HH2 ARG 16 6.839 -11.484 -6.178
104 H GLU 17 H GLU 17 4.278 -3.836 -4.178
105 HA GLU 17 HA GLU 17 6.529 -2.929 -5.833
106 HB2 GLU 17 1HB GLU 17 4.368 -1.287 -4.615
107 HB3 GLU 17 2HB GLU 17 6.002 -0.640 -4.561
108 HG2 GLU 17 1HG GLU 17 6.023 -1.199 -7.097
109 HG3 GLU 17 2HG GLU 17 4.269 -1.205 -6.920
110 H CYS 18 H CYS 18 5.115 -3.365 -2.653
111 HA CYS 18 HA CYS 18 7.827 -3.424 -1.523
112 HB2 CYS 18 1HB CYS 18 7.159 -2.204 0.421
113 HB3 CYS 18 2HB CYS 18 6.645 -1.266 -0.977
114 H GLY 19 H GLY 19 4.424 -4.330 -1.142
115 HA2 GLY 19 1HA GLY 19 4.009 -6.739 -0.807
116 HA3 GLY 19 2HA GLY 19 5.338 -6.717 0.343
117 H GLU 20 H GLU 20 2.056 -5.569 -0.250
118 HA GLU 20 HA GLU 20 1.352 -5.962 2.496
119 HB2 GLU 20 1HB GLU 20 1.737 -3.185 1.425
120 HB3 GLU 20 2HB GLU 20 0.534 -3.498 2.667
121 HG2 GLU 20 1HG GLU 20 2.458 -4.611 3.955
122 HG3 GLU 20 2HG GLU 20 3.509 -3.759 2.824
123 H ILE 21 H ILE 21 -0.642 -6.740 2.447
124 HA ILE 21 HA ILE 21 -2.343 -6.167 0.140
125 HB ILE 21 HB ILE 21 -2.715 -8.203 2.340
126 HG12 ILE 21 1HG1 ILE 21 -1.881 -8.671 -0.525
127 HG13 ILE 21 2HG1 ILE 21 -0.733 -8.535 0.802
128 HG21 ILE 21 1HG2 ILE 21 -4.848 -7.974 1.574
129 HG22 ILE 21 2HG2 ILE 21 -4.334 -7.412 -0.016
130 HG23 ILE 21 3HG2 ILE 21 -4.246 -9.127 0.383
131 HD11 ILE 21 3HD1 ILE 21 -2.314 -10.787 -0.043
132 HD12 ILE 21 1HD1 ILE 21 -0.945 -10.721 1.066
133 HD13 ILE 21 2HD1 ILE 21 -2.578 -10.421 1.661
134 H PHE 22 H PHE 22 -4.543 -5.558 0.379
135 HA PHE 22 HA PHE 22 -5.351 -4.535 2.996
136 HB2 PHE 22 1HB PHE 22 -5.545 -2.841 0.502
137 HB3 PHE 22 2HB PHE 22 -5.928 -2.362 2.153
138 HD1 PHE 22 HD2 PHE 22 -3.940 -2.536 3.850
139 HD2 PHE 22 HD1 PHE 22 -3.495 -2.287 -0.376
140 HE1 PHE 22 HE2 PHE 22 -1.639 -1.714 4.144
141 HE2 PHE 22 HE1 PHE 22 -1.194 -1.465 -0.089
142 HZ PHE 22 HZ PHE 22 -0.263 -1.177 2.173
143 H PHE 23 H PHE 23 -7.564 -4.450 3.326
144 HA PHE 23 HA PHE 23 -9.122 -6.153 1.607
145 HB2 PHE 23 1HB PHE 23 -9.857 -4.637 4.120
146 HB3 PHE 23 2HB PHE 23 -10.920 -5.771 3.291
147 HD1 PHE 23 HD2 PHE 23 -9.678 -8.122 2.787
148 HD2 PHE 23 HD1 PHE 23 -8.778 -5.438 5.966
149 HE1 PHE 23 HE2 PHE 23 -8.701 -9.978 4.073
150 HE2 PHE 23 HE1 PHE 23 -7.799 -7.290 7.257
151 HZ PHE 23 HZ PHE 23 -7.761 -9.564 6.311
152 H GLN 24 H GLN 24 -9.405 -2.778 2.713
153 HA GLN 24 HA GLN 24 -11.435 -2.254 0.700
154 HB2 GLN 24 1HB GLN 24 -11.290 -1.335 3.165
155 HB3 GLN 24 2HB GLN 24 -10.260 -0.115 2.426
156 HG2 GLN 24 1HG GLN 24 -12.315 0.893 2.332
157 HG3 GLN 24 2HG GLN 24 -12.220 0.137 0.742
158 HE21 GLN 24 1HE2 GLN 24 -14.016 0.462 3.559
159 HE22 GLN 24 2HE2 GLN 24 -15.169 -0.792 3.274
160 H TYR 25 H TYR 25 -11.203 -0.905 -1.049
161 HA TYR 25 HA TYR 25 -8.640 -0.746 -2.229
162 HB2 TYR 25 1HB TYR 25 -10.870 -0.846 -3.433
163 HB3 TYR 25 2HB TYR 25 -11.063 0.860 -3.046
164 HD1 TYR 25 HD1 TYR 25 -8.760 -1.516 -4.754
165 HD2 TYR 25 HD2 TYR 25 -10.172 2.487 -4.460
166 HE1 TYR 25 HE1 TYR 25 -7.476 -0.922 -6.766
167 HE2 TYR 25 HE2 TYR 25 -8.893 3.092 -6.472
168 HH TYR 25 HH TYR 25 -6.983 2.317 -7.740
169 H VAL 26 H VAL 26 -10.584 1.528 -0.401
170 HA VAL 26 HA VAL 26 -9.250 3.903 -0.982
171 HB VAL 26 HB VAL 26 -10.551 3.047 1.606
172 HG11 VAL 26 1HG1 VAL 26 -9.201 5.547 0.804
173 HG12 VAL 26 2HG1 VAL 26 -10.753 5.725 1.624
174 HG13 VAL 26 3HG1 VAL 26 -9.437 4.846 2.404
175 HG21 VAL 26 3HG2 VAL 26 -11.560 3.941 -0.965
176 HG22 VAL 26 1HG2 VAL 26 -12.417 3.218 0.396
177 HG23 VAL 26 2HG2 VAL 26 -12.120 4.956 0.364
178 H SER 27 H SER 27 -8.374 1.266 1.140
179 HA SER 27 HA SER 27 -6.330 2.638 2.562
180 HB2 SER 27 1HB SER 27 -7.094 -0.237 2.200
181 HB3 SER 27 2HB SER 27 -5.543 0.160 2.939
182 HG SER 27 HG SER 27 -7.690 -0.027 4.236
183 H LEU 28 H LEU 28 -6.446 0.875 -0.455
184 HA LEU 28 HA LEU 28 -3.632 0.613 -0.791
185 HB2 LEU 28 1HB LEU 28 -5.186 -0.829 -1.966
186 HB3 LEU 28 2HB LEU 28 -5.878 0.560 -2.802
187 HG LEU 28 HG LEU 28 -3.558 0.887 -3.819
188 HD11 LEU 28 1HD1 LEU 28 -2.803 -1.831 -3.793
189 HD12 LEU 28 2HD1 LEU 28 -3.029 -1.337 -2.115
190 HD13 LEU 28 3HD1 LEU 28 -1.918 -0.445 -3.155
191 HD21 LEU 28 3HD2 LEU 28 -5.388 0.110 -5.153
192 HD22 LEU 28 1HD2 LEU 28 -5.254 -1.515 -4.481
193 HD23 LEU 28 2HD2 LEU 28 -3.979 -0.884 -5.524
194 H ILE 29 H ILE 29 -5.933 2.644 -2.614
195 HA ILE 29 HA ILE 29 -4.216 4.235 -3.983
196 HB ILE 29 HB ILE 29 -6.766 4.330 -3.961
197 HG12 ILE 29 1HG1 ILE 29 -5.387 7.017 -3.961
198 HG13 ILE 29 2HG1 ILE 29 -5.191 5.838 -5.254
199 HG21 ILE 29 1HG2 ILE 29 -6.256 6.377 -1.807
200 HG22 ILE 29 2HG2 ILE 29 -7.810 5.985 -2.542
201 HG23 ILE 29 3HG2 ILE 29 -6.978 4.790 -1.547
202 HD11 ILE 29 3HD1 ILE 29 -7.084 6.475 -6.202
203 HD12 ILE 29 1HD1 ILE 29 -7.976 6.283 -4.693
204 HD13 ILE 29 2HD1 ILE 29 -7.146 7.800 -5.040
205 H GLU 30 H GLU 30 -4.889 4.356 -0.560
206 HA GLU 30 HA GLU 30 -3.506 6.866 -0.176
207 HB2 GLU 30 1HB GLU 30 -5.390 6.325 1.266
208 HB3 GLU 30 2HB GLU 30 -4.588 4.856 1.805
209 HG2 GLU 30 1HG GLU 30 -2.738 6.372 2.666
210 HG3 GLU 30 2HG GLU 30 -3.867 7.701 2.412
211 H HIS 31 H HIS 31 -2.911 3.437 0.491
212 HA HIS 31 HA HIS 31 -0.456 3.727 1.809
213 HB2 HIS 31 1HB HIS 31 -1.385 1.602 2.002
214 HB3 HIS 31 2HB HIS 31 -1.754 1.496 0.284
215 HD1 HIS 31 HD1 HIS 31 1.128 1.179 2.691
216 HD2 HIS 31 HD2 HIS 31 0.210 0.350 -1.276
217 HE1 HIS 31 HE1 HIS 31 3.047 -0.200 1.831
218 H GLN 32 H GLN 32 -1.286 3.820 -1.570
219 HA GLN 32 HA GLN 32 1.294 3.376 -2.635
220 HB2 GLN 32 1HB GLN 32 -1.052 4.898 -3.784
221 HB3 GLN 32 2HB GLN 32 0.384 4.436 -4.688
222 HG2 GLN 32 1HG GLN 32 -0.123 2.083 -4.306
223 HG3 GLN 32 2HG GLN 32 -1.555 2.538 -3.384
224 HE21 GLN 32 1HE2 GLN 32 -0.049 2.877 -6.563
225 HE22 GLN 32 2HE2 GLN 32 -1.527 2.907 -7.456
226 H VAL 33 H VAL 33 -0.400 6.279 -1.574
227 HA VAL 33 HA VAL 33 1.427 8.178 -2.551
228 HB VAL 33 HB VAL 33 -0.386 8.336 -0.140
229 HG11 VAL 33 1HG1 VAL 33 0.782 10.184 0.341
230 HG12 VAL 33 2HG1 VAL 33 1.578 10.202 -1.234
231 HG13 VAL 33 3HG1 VAL 33 -0.034 10.894 -1.051
232 HG21 VAL 33 3HG2 VAL 33 -1.630 7.960 -2.170
233 HG22 VAL 33 1HG2 VAL 33 -1.834 9.640 -1.674
234 HG23 VAL 33 2HG2 VAL 33 -0.740 9.238 -2.997
235 H LEU 34 H LEU 34 1.187 6.615 0.635
236 HA LEU 34 HA LEU 34 3.131 7.842 2.058
237 HB2 LEU 34 1HB LEU 34 2.604 4.883 1.865
238 HB3 LEU 34 2HB LEU 34 3.616 5.624 3.103
239 HG LEU 34 HG LEU 34 0.717 6.343 2.736
240 HD11 LEU 34 1HD1 LEU 34 1.633 3.839 3.483
241 HD12 LEU 34 2HD1 LEU 34 0.035 4.513 3.798
242 HD13 LEU 34 3HD1 LEU 34 1.305 4.655 5.012
243 HD21 LEU 34 3HD2 LEU 34 1.928 7.972 3.984
244 HD22 LEU 34 1HD2 LEU 34 2.729 6.728 4.944
245 HD23 LEU 34 2HD2 LEU 34 0.998 7.010 5.134
246 H HIS 35 H HIS 35 3.713 5.170 -0.225
247 HA HIS 35 HA HIS 35 6.383 4.803 -0.038
248 HB2 HIS 35 1HB HIS 35 4.620 4.904 -2.473
249 HB3 HIS 35 2HB HIS 35 6.334 4.520 -2.606
250 HD1 HIS 35 HD1 HIS 35 6.703 2.655 -0.230
251 HD2 HIS 35 HD2 HIS 35 3.438 2.484 -2.793
252 HE1 HIS 35 HE1 HIS 35 5.807 0.314 -0.023
253 H MET 36 H MET 36 4.799 7.461 -1.764
254 HA MET 36 HA MET 36 7.422 8.792 -1.954
255 HB2 MET 36 1HB MET 36 6.192 10.140 -3.804
256 HB3 MET 36 2HB MET 36 6.783 8.525 -4.170
257 HG2 MET 36 1HG MET 36 4.661 7.607 -4.175
258 HG3 MET 36 2HG MET 36 3.982 8.920 -3.217
259 HE1 MET 36 3HE MET 36 2.091 9.065 -6.671
260 HE2 MET 36 1HE MET 36 2.475 7.786 -5.519
261 HE3 MET 36 2HE MET 36 1.829 9.323 -4.946
262 H GLY 37 H GLY 37 6.950 9.494 0.281
263 HA2 GLY 37 1HA GLY 37 5.956 12.155 0.303
264 HA3 GLY 37 2HA GLY 37 4.797 11.066 1.052
265 H GLN 38 H GLN 38 8.129 12.226 1.215
266 HA GLN 38 HA GLN 38 8.032 11.868 4.120
267 HB2 GLN 38 1HB GLN 38 9.232 9.926 3.109
268 HB3 GLN 38 2HB GLN 38 10.406 11.051 2.439
269 HG2 GLN 38 1HG GLN 38 11.122 11.706 4.627
270 HG3 GLN 38 2HG GLN 38 9.835 10.762 5.377
271 HE21 GLN 38 1HE2 GLN 38 12.100 10.161 6.391
272 HE22 GLN 38 2HE2 GLN 38 12.786 8.709 5.754
273 H LYS 39 H LYS 39 8.411 13.766 5.028
274 HA LYS 39 HA LYS 39 9.289 16.047 3.692
275 HB2 LYS 39 1HB LYS 39 8.033 16.161 5.776
276 HB3 LYS 39 2HB LYS 39 9.367 15.419 6.649
277 HG2 LYS 39 1HG LYS 39 10.770 17.363 6.142
278 HG3 LYS 39 2HG LYS 39 9.412 18.111 5.298
279 HD2 LYS 39 1HD LYS 39 9.426 19.064 7.457
280 HD3 LYS 39 2HD LYS 39 8.119 17.877 7.469
281 HE2 LYS 39 1HE LYS 39 9.437 16.317 8.681
282 HE3 LYS 39 2HE LYS 39 10.902 17.268 8.442
283 HZ1 LYS 39 3HZ LYS 39 8.552 18.207 9.992
284 HZ2 LYS 39 1HZ LYS 39 10.064 18.958 9.877
285 HZ3 LYS 39 2HZ LYS 39 9.913 17.481 10.686
286 H ASN 40 H ASN 40 11.229 16.793 3.125
287 HA ASN 40 HA ASN 40 13.611 15.657 4.427
288 HB2 ASN 40 1HB ASN 40 14.715 15.875 2.120
289 HB3 ASN 40 2HB ASN 40 13.593 14.538 2.353
290 HD21 ASN 40 1HD2 ASN 40 12.133 14.261 0.836
291 HD22 ASN 40 2HD2 ASN 40 11.582 15.461 -0.279
292 H SER 41 H SER 41 13.883 17.488 5.701
293 HA SER 41 HA SER 41 15.121 19.728 4.340
294 HB2 SER 41 1HB SER 41 13.724 21.435 5.306
295 HB3 SER 41 2HB SER 41 12.673 20.291 4.471
296 HG SER 41 HG SER 41 11.979 20.914 6.626
297 H GLY 42 H GLY 42 15.934 21.363 6.032
298 HA2 GLY 42 1HA GLY 42 17.355 21.736 7.795
299 HA3 GLY 42 2HA GLY 42 16.242 20.742 8.724
300 HA PRO 43 HA PRO 43 20.456 18.682 8.349
301 HB2 PRO 43 1HB PRO 43 21.009 18.640 11.007
302 HB3 PRO 43 2HB PRO 43 21.456 19.987 9.954
303 HG2 PRO 43 1HG PRO 43 19.121 19.726 11.809
304 HG3 PRO 43 2HG PRO 43 20.189 21.117 11.543
305 HD2 PRO 43 1HD PRO 43 17.730 20.933 10.424
306 HD3 PRO 43 2HD PRO 43 19.084 21.758 9.625
307 H SER 44 H SER 44 21.115 16.634 9.505
308 HA SER 44 HA SER 44 18.751 14.956 9.822
309 HB2 SER 44 1HB SER 44 21.684 14.280 9.510
310 HB3 SER 44 2HB SER 44 20.412 13.076 9.717
311 HG SER 44 HG SER 44 20.875 13.409 7.515
312 H SER 45 H SER 45 18.062 15.538 11.893
313 HA SER 45 HA SER 45 19.529 15.819 14.191
314 HB2 SER 45 1HB SER 45 16.971 16.040 13.793
315 HB3 SER 45 2HB SER 45 16.912 14.339 14.254
316 HG SER 45 HG SER 45 16.664 15.995 15.976
317 H GLY 46 H GLY 46 20.170 14.450 15.882
318 HA2 GLY 46 1HA GLY 46 21.589 12.238 15.408
319 HA3 GLY 46 2HA GLY 46 20.700 12.431 16.912
Start of MODEL 17
1 H1 GLY 1 H GLY 1 8.586 -15.200 -3.658
2 HA2 GLY 1 1HA GLY 1 6.461 -14.443 -4.128
3 HA3 GLY 1 2HA GLY 1 6.986 -14.167 -5.782
4 H SER 2 H SER 2 7.497 -16.463 -6.883
5 HA SER 2 HA SER 2 5.001 -17.657 -7.307
6 HB2 SER 2 1HB SER 2 7.236 -17.664 -8.728
7 HB3 SER 2 2HB SER 2 7.497 -19.195 -7.893
8 HG SER 2 HG SER 2 6.341 -19.328 -9.939
9 H SER 3 H SER 3 4.773 -20.161 -7.169
10 HA SER 3 HA SER 3 4.399 -21.978 -5.853
11 HB2 SER 3 1HB SER 3 7.029 -21.042 -4.708
12 HB3 SER 3 2HB SER 3 6.214 -22.494 -4.126
13 HG SER 3 HG SER 3 7.498 -22.017 -6.544
14 H GLY 4 H GLY 4 2.994 -19.673 -5.200
15 HA2 GLY 4 1HA GLY 4 2.374 -20.235 -2.425
16 HA3 GLY 4 2HA GLY 4 2.976 -18.612 -2.727
17 H SER 5 H SER 5 0.259 -20.610 -2.679
18 HA SER 5 HA SER 5 -1.343 -18.500 -3.968
19 HB2 SER 5 1HB SER 5 -1.747 -21.495 -4.131
20 HB3 SER 5 2HB SER 5 -2.923 -20.305 -4.690
21 HG SER 5 HG SER 5 -1.500 -19.635 -6.245
22 H SER 6 H SER 6 -3.079 -17.781 -2.865
23 HA SER 6 HA SER 6 -3.736 -19.155 -0.341
24 HB2 SER 6 1HB SER 6 -3.941 -16.184 -0.884
25 HB3 SER 6 2HB SER 6 -4.211 -16.999 0.657
26 HG SER 6 HG SER 6 -1.896 -16.158 -0.448
27 H GLY 7 H GLY 7 -5.050 -17.008 -2.860
28 HA2 GLY 7 1HA GLY 7 -7.723 -18.115 -2.269
29 HA3 GLY 7 2HA GLY 7 -7.440 -16.516 -2.941
30 H SER 8 H SER 8 -9.195 -18.347 -4.098
31 HA SER 8 HA SER 8 -7.779 -19.462 -6.398
32 HB2 SER 8 1HB SER 8 -9.663 -20.651 -5.034
33 HB3 SER 8 2HB SER 8 -10.749 -19.653 -5.999
34 HG SER 8 HG SER 8 -9.086 -21.754 -6.779
35 H ARG 9 H ARG 9 -7.232 -17.591 -7.529
36 HA ARG 9 HA ARG 9 -7.513 -15.769 -8.878
37 HB2 ARG 9 1HB ARG 9 -9.865 -17.482 -9.689
38 HB3 ARG 9 2HB ARG 9 -9.349 -16.054 -10.576
39 HG2 ARG 9 1HG ARG 9 -7.030 -17.305 -10.567
40 HG3 ARG 9 2HG ARG 9 -8.063 -18.720 -10.353
41 HD2 ARG 9 1HD ARG 9 -9.098 -18.435 -12.403
42 HD3 ARG 9 2HD ARG 9 -8.695 -16.720 -12.482
43 HE ARG 9 HE ARG 9 -6.350 -18.312 -12.541
44 HH11 ARG 9 1HH1 ARG 9 -9.035 -17.286 -14.504
45 HH12 ARG 9 2HH1 ARG 9 -8.172 -17.443 -15.998
46 HH21 ARG 9 1HH2 ARG 9 -5.203 -18.524 -14.501
47 HH22 ARG 9 2HH2 ARG 9 -5.992 -18.148 -15.995
48 H GLU 10 H GLU 10 -8.498 -15.334 -6.296
49 HA GLU 10 HA GLU 10 -11.120 -14.220 -6.340
50 HB2 GLU 10 1HB GLU 10 -8.837 -14.207 -4.410
51 HB3 GLU 10 2HB GLU 10 -10.154 -13.066 -4.177
52 HG2 GLU 10 1HG GLU 10 -11.748 -14.865 -4.027
53 HG3 GLU 10 2HG GLU 10 -10.494 -16.048 -4.397
54 H LYS 11 H LYS 11 -11.259 -11.819 -5.424
55 HA LYS 11 HA LYS 11 -9.774 -10.152 -7.344
56 HB2 LYS 11 1HB LYS 11 -12.377 -10.367 -7.367
57 HB3 LYS 11 2HB LYS 11 -12.302 -9.271 -5.993
58 HG2 LYS 11 1HG LYS 11 -10.993 -7.696 -7.425
59 HG3 LYS 11 2HG LYS 11 -11.323 -8.764 -8.792
60 HD2 LYS 11 1HD LYS 11 -13.813 -8.483 -7.957
61 HD3 LYS 11 2HD LYS 11 -13.168 -6.992 -7.267
62 HE2 LYS 11 1HE LYS 11 -13.858 -6.283 -9.349
63 HE3 LYS 11 2HE LYS 11 -12.161 -6.653 -9.645
64 HZ1 LYS 11 3HZ LYS 11 -12.802 -8.055 -11.214
65 HZ2 LYS 11 1HZ LYS 11 -14.433 -7.755 -10.877
66 HZ3 LYS 11 2HZ LYS 11 -13.615 -8.991 -10.063
67 H SER 12 H SER 12 -7.983 -9.930 -5.906
68 HA SER 12 HA SER 12 -8.511 -8.048 -3.702
69 HB2 SER 12 1HB SER 12 -6.406 -10.225 -3.755
70 HB3 SER 12 2HB SER 12 -6.647 -9.056 -2.456
71 HG SER 12 HG SER 12 -8.878 -9.966 -2.411
72 H HIS 13 H HIS 13 -6.343 -6.945 -3.045
73 HA HIS 13 HA HIS 13 -4.909 -6.179 -5.503
74 HB2 HIS 13 1HB HIS 13 -5.993 -4.464 -3.283
75 HB3 HIS 13 2HB HIS 13 -4.661 -3.907 -4.291
76 HD1 HIS 13 HD1 HIS 13 -5.463 -4.548 -7.057
77 HD2 HIS 13 HD2 HIS 13 -8.233 -3.301 -4.223
78 HE1 HIS 13 HE1 HIS 13 -7.402 -3.631 -8.370
79 H GLN 14 H GLN 14 -2.708 -5.697 -5.316
80 HA GLN 14 HA GLN 14 -1.438 -6.137 -2.721
81 HB2 GLN 14 1HB GLN 14 -1.540 -8.325 -3.947
82 HB3 GLN 14 2HB GLN 14 -0.548 -7.604 -5.207
83 HG2 GLN 14 1HG GLN 14 1.184 -7.152 -3.456
84 HG3 GLN 14 2HG GLN 14 0.211 -8.114 -2.345
85 HE21 GLN 14 1HE2 GLN 14 0.776 -10.152 -2.183
86 HE22 GLN 14 2HE2 GLN 14 1.578 -11.091 -3.390
87 H CYS 15 H CYS 15 0.620 -5.214 -2.512
88 HA CYS 15 HA CYS 15 1.187 -3.148 -4.510
89 HB2 CYS 15 1HB CYS 15 1.049 -2.112 -2.434
90 HB3 CYS 15 2HB CYS 15 1.804 -3.464 -1.596
91 H ARG 16 H ARG 16 3.432 -2.691 -5.069
92 HA ARG 16 HA ARG 16 4.979 -5.177 -5.295
93 HB2 ARG 16 1HB ARG 16 4.221 -3.781 -7.341
94 HB3 ARG 16 2HB ARG 16 5.507 -2.676 -6.875
95 HG2 ARG 16 1HG ARG 16 7.101 -4.590 -7.010
96 HG3 ARG 16 2HG ARG 16 5.784 -5.564 -7.667
97 HD2 ARG 16 1HD ARG 16 6.402 -2.938 -8.930
98 HD3 ARG 16 2HD ARG 16 7.471 -4.304 -9.247
99 HE ARG 16 HE ARG 16 4.783 -3.938 -10.213
100 HH11 ARG 16 1HH1 ARG 16 7.307 -6.234 -9.525
101 HH12 ARG 16 2HH1 ARG 16 6.706 -7.424 -10.632
102 HH21 ARG 16 1HH2 ARG 16 3.982 -5.496 -11.674
103 HH22 ARG 16 2HH2 ARG 16 4.815 -7.002 -11.855
104 H GLU 17 H GLU 17 5.212 -1.786 -4.360
105 HA GLU 17 HA GLU 17 7.930 -1.558 -3.918
106 HB2 GLU 17 1HB GLU 17 5.679 -0.357 -2.295
107 HB3 GLU 17 2HB GLU 17 7.354 0.175 -2.246
108 HG2 GLU 17 1HG GLU 17 5.784 0.151 -4.797
109 HG3 GLU 17 2HG GLU 17 5.722 1.509 -3.675
110 H CYS 18 H CYS 18 5.659 -1.971 -1.212
111 HA CYS 18 HA CYS 18 7.739 -3.326 0.303
112 HB2 CYS 18 1HB CYS 18 6.220 -3.110 2.204
113 HB3 CYS 18 2HB CYS 18 6.406 -1.562 1.387
114 H GLY 19 H GLY 19 4.438 -3.968 -0.846
115 HA2 GLY 19 1HA GLY 19 3.803 -6.097 -1.720
116 HA3 GLY 19 2HA GLY 19 5.055 -6.839 -0.734
117 H GLU 20 H GLU 20 2.361 -4.628 0.013
118 HA GLU 20 HA GLU 20 1.492 -6.565 2.057
119 HB2 GLU 20 1HB GLU 20 2.361 -4.131 2.639
120 HB3 GLU 20 2HB GLU 20 0.714 -3.689 2.213
121 HG2 GLU 20 1HG GLU 20 -0.202 -4.899 3.966
122 HG3 GLU 20 2HG GLU 20 1.243 -5.888 4.167
123 H ILE 21 H ILE 21 -0.540 -7.315 1.981
124 HA ILE 21 HA ILE 21 -2.232 -6.421 -0.223
125 HB ILE 21 HB ILE 21 -2.548 -8.793 1.621
126 HG12 ILE 21 1HG1 ILE 21 -1.759 -8.805 -1.291
127 HG13 ILE 21 2HG1 ILE 21 -0.572 -8.764 0.007
128 HG21 ILE 21 1HG2 ILE 21 -4.005 -8.222 -0.952
129 HG22 ILE 21 2HG2 ILE 21 -4.302 -9.535 0.186
130 HG23 ILE 21 3HG2 ILE 21 -4.662 -7.871 0.646
131 HD11 ILE 21 3HD1 ILE 21 -2.671 -10.896 -0.151
132 HD12 ILE 21 1HD1 ILE 21 -1.134 -11.024 -1.005
133 HD13 ILE 21 2HD1 ILE 21 -1.158 -10.900 0.754
134 H PHE 22 H PHE 22 -4.263 -5.581 0.017
135 HA PHE 22 HA PHE 22 -5.248 -5.156 2.752
136 HB2 PHE 22 1HB PHE 22 -5.266 -3.030 0.603
137 HB3 PHE 22 2HB PHE 22 -5.802 -2.853 2.271
138 HD1 PHE 22 HD2 PHE 22 -4.084 -3.054 4.112
139 HD2 PHE 22 HD1 PHE 22 -3.041 -2.653 0.005
140 HE1 PHE 22 HE2 PHE 22 -1.825 -2.326 4.760
141 HE2 PHE 22 HE1 PHE 22 -0.780 -1.926 0.646
142 HZ PHE 22 HZ PHE 22 -0.169 -1.761 3.026
143 H PHE 23 H PHE 23 -7.504 -4.942 2.959
144 HA PHE 23 HA PHE 23 -8.998 -5.978 0.647
145 HB2 PHE 23 1HB PHE 23 -9.310 -6.319 3.605
146 HB3 PHE 23 2HB PHE 23 -10.722 -6.478 2.565
147 HD1 PHE 23 HD2 PHE 23 -10.924 -8.320 1.010
148 HD2 PHE 23 HD1 PHE 23 -7.519 -7.935 3.536
149 HE1 PHE 23 HE2 PHE 23 -10.300 -10.648 0.519
150 HE2 PHE 23 HE1 PHE 23 -6.890 -10.263 3.048
151 HZ PHE 23 HZ PHE 23 -8.282 -11.623 1.539
152 H GLN 24 H GLN 24 -8.404 -3.231 0.798
153 HA GLN 24 HA GLN 24 -11.073 -2.156 0.665
154 HB2 GLN 24 1HB GLN 24 -9.172 -1.385 2.843
155 HB3 GLN 24 2HB GLN 24 -10.250 -0.168 2.173
156 HG2 GLN 24 1HG GLN 24 -11.017 -2.737 3.533
157 HG3 GLN 24 2HG GLN 24 -11.267 -1.093 4.118
158 HE21 GLN 24 1HE2 GLN 24 -13.308 -2.979 3.888
159 HE22 GLN 24 2HE2 GLN 24 -14.420 -2.444 2.678
160 H TYR 25 H TYR 25 -11.183 -0.750 -0.962
161 HA TYR 25 HA TYR 25 -9.048 -0.199 -2.646
162 HB2 TYR 25 1HB TYR 25 -11.311 0.002 -3.443
163 HB3 TYR 25 2HB TYR 25 -11.660 1.278 -2.281
164 HD1 TYR 25 HD1 TYR 25 -8.966 0.679 -4.812
165 HD2 TYR 25 HD2 TYR 25 -11.926 3.328 -3.288
166 HE1 TYR 25 HE1 TYR 25 -8.304 2.366 -6.475
167 HE2 TYR 25 HE2 TYR 25 -11.274 5.021 -4.948
168 HH TYR 25 HH TYR 25 -9.826 4.563 -7.573
169 H VAL 26 H VAL 26 -10.478 1.844 -0.119
170 HA VAL 26 HA VAL 26 -8.920 4.122 -0.504
171 HB VAL 26 HB VAL 26 -10.029 3.048 2.093
172 HG11 VAL 26 1HG1 VAL 26 -9.407 4.939 3.145
173 HG12 VAL 26 2HG1 VAL 26 -8.187 5.018 1.872
174 HG13 VAL 26 3HG1 VAL 26 -9.681 5.944 1.723
175 HG21 VAL 26 3HG2 VAL 26 -11.765 3.361 0.433
176 HG22 VAL 26 1HG2 VAL 26 -11.879 4.621 1.661
177 HG23 VAL 26 2HG2 VAL 26 -11.177 4.987 0.086
178 H SER 27 H SER 27 -8.265 1.189 1.344
179 HA SER 27 HA SER 27 -5.981 2.018 2.708
180 HB2 SER 27 1HB SER 27 -6.746 -0.712 1.654
181 HB3 SER 27 2HB SER 27 -5.376 -0.428 2.728
182 HG SER 27 HG SER 27 -7.399 -1.037 3.774
183 H LEU 28 H LEU 28 -6.248 0.443 -0.470
184 HA LEU 28 HA LEU 28 -3.458 0.512 -1.002
185 HB2 LEU 28 1HB LEU 28 -5.050 -1.049 -2.073
186 HB3 LEU 28 2HB LEU 28 -5.748 0.310 -2.951
187 HG LEU 28 HG LEU 28 -3.396 0.639 -3.923
188 HD11 LEU 28 1HD1 LEU 28 -2.521 -1.960 -3.984
189 HD12 LEU 28 2HD1 LEU 28 -3.023 -1.756 -2.307
190 HD13 LEU 28 3HD1 LEU 28 -1.831 -0.662 -3.010
191 HD21 LEU 28 3HD2 LEU 28 -5.495 -0.379 -5.007
192 HD22 LEU 28 1HD2 LEU 28 -4.694 -1.930 -4.759
193 HD23 LEU 28 2HD2 LEU 28 -3.930 -0.693 -5.757
194 H ILE 29 H ILE 29 -6.050 2.254 -2.723
195 HA ILE 29 HA ILE 29 -4.675 4.041 -4.166
196 HB ILE 29 HB ILE 29 -7.176 3.942 -3.937
197 HG12 ILE 29 1HG1 ILE 29 -6.112 6.760 -3.745
198 HG13 ILE 29 2HG1 ILE 29 -5.851 5.743 -5.158
199 HG21 ILE 29 1HG2 ILE 29 -7.150 4.172 -1.444
200 HG22 ILE 29 2HG2 ILE 29 -6.764 5.878 -1.668
201 HG23 ILE 29 3HG2 ILE 29 -8.290 5.233 -2.271
202 HD11 ILE 29 3HD1 ILE 29 -8.071 7.373 -4.547
203 HD12 ILE 29 1HD1 ILE 29 -7.818 6.344 -5.957
204 HD13 ILE 29 2HD1 ILE 29 -8.617 5.696 -4.523
205 H GLU 30 H GLU 30 -5.400 4.455 -0.709
206 HA GLU 30 HA GLU 30 -3.922 6.902 -0.514
207 HB2 GLU 30 1HB GLU 30 -5.804 6.451 0.979
208 HB3 GLU 30 2HB GLU 30 -4.967 5.052 1.637
209 HG2 GLU 30 1HG GLU 30 -4.656 6.722 3.227
210 HG3 GLU 30 2HG GLU 30 -3.137 6.677 2.334
211 H HIS 31 H HIS 31 -3.268 3.508 0.075
212 HA HIS 31 HA HIS 31 -0.901 3.739 1.543
213 HB2 HIS 31 1HB HIS 31 -1.875 1.590 1.414
214 HB3 HIS 31 2HB HIS 31 -1.922 1.626 -0.346
215 HD1 HIS 31 HD1 HIS 31 0.741 1.649 2.377
216 HD2 HIS 31 HD2 HIS 31 0.087 0.213 -1.466
217 HE1 HIS 31 HE1 HIS 31 2.781 0.292 1.811
218 H GLN 32 H GLN 32 -1.505 3.950 -1.909
219 HA GLN 32 HA GLN 32 1.065 3.705 -2.907
220 HB2 GLN 32 1HB GLN 32 -1.230 5.431 -3.832
221 HB3 GLN 32 2HB GLN 32 0.260 5.246 -4.746
222 HG2 GLN 32 1HG GLN 32 -0.161 3.015 -5.226
223 HG3 GLN 32 2HG GLN 32 -1.325 2.853 -3.912
224 HE21 GLN 32 1HE2 GLN 32 -1.636 2.170 -6.707
225 HE22 GLN 32 2HE2 GLN 32 -2.971 3.096 -7.293
226 H VAL 33 H VAL 33 -0.428 6.378 -1.230
227 HA VAL 33 HA VAL 33 1.378 8.415 -1.910
228 HB VAL 33 HB VAL 33 -0.166 8.059 0.663
229 HG11 VAL 33 1HG1 VAL 33 1.870 9.753 0.385
230 HG12 VAL 33 2HG1 VAL 33 0.603 10.734 -0.353
231 HG13 VAL 33 3HG1 VAL 33 0.421 10.157 1.304
232 HG21 VAL 33 3HG2 VAL 33 -1.692 9.747 -0.459
233 HG22 VAL 33 1HG2 VAL 33 -0.837 9.376 -1.957
234 HG23 VAL 33 2HG2 VAL 33 -1.725 8.108 -1.110
235 H LEU 34 H LEU 34 1.481 5.938 0.597
236 HA LEU 34 HA LEU 34 3.685 6.923 2.033
237 HB2 LEU 34 1HB LEU 34 2.598 4.145 1.656
238 HB3 LEU 34 2HB LEU 34 3.965 4.495 2.712
239 HG LEU 34 HG LEU 34 1.217 5.695 3.042
240 HD11 LEU 34 1HD1 LEU 34 0.733 4.087 4.666
241 HD12 LEU 34 2HD1 LEU 34 2.403 3.526 4.741
242 HD13 LEU 34 3HD1 LEU 34 1.414 3.163 3.327
243 HD21 LEU 34 3HD2 LEU 34 2.736 5.626 5.427
244 HD22 LEU 34 1HD2 LEU 34 2.198 7.035 4.512
245 HD23 LEU 34 2HD2 LEU 34 3.765 6.303 4.163
246 H HIS 35 H HIS 35 3.481 5.511 -1.064
247 HA HIS 35 HA HIS 35 6.363 4.925 -1.080
248 HB2 HIS 35 1HB HIS 35 4.128 3.992 -2.884
249 HB3 HIS 35 2HB HIS 35 5.831 3.718 -3.238
250 HD1 HIS 35 HD1 HIS 35 6.997 2.682 -0.742
251 HD2 HIS 35 HD2 HIS 35 3.135 1.688 -1.905
252 HE1 HIS 35 HE1 HIS 35 6.463 0.541 0.463
253 H MET 36 H MET 36 5.423 7.606 -1.168
254 HA MET 36 HA MET 36 6.097 8.356 -3.937
255 HB2 MET 36 1HB MET 36 4.386 9.768 -1.891
256 HB3 MET 36 2HB MET 36 4.953 10.542 -3.365
257 HG2 MET 36 1HG MET 36 3.524 7.953 -3.603
258 HG3 MET 36 2HG MET 36 2.589 9.393 -3.212
259 HE1 MET 36 3HE MET 36 1.698 10.894 -4.705
260 HE2 MET 36 1HE MET 36 3.181 11.815 -4.961
261 HE3 MET 36 2HE MET 36 2.224 11.283 -6.344
262 H GLY 37 H GLY 37 7.611 9.983 -4.286
263 HA2 GLY 37 1HA GLY 37 9.181 10.747 -1.900
264 HA3 GLY 37 2HA GLY 37 9.918 10.348 -3.445
265 H GLN 38 H GLN 38 10.967 12.357 -3.546
266 HA GLN 38 HA GLN 38 9.430 14.795 -3.490
267 HB2 GLN 38 1HB GLN 38 11.957 14.350 -2.849
268 HB3 GLN 38 2HB GLN 38 12.217 14.693 -4.554
269 HG2 GLN 38 1HG GLN 38 11.160 16.864 -4.300
270 HG3 GLN 38 2HG GLN 38 10.838 16.521 -2.601
271 HE21 GLN 38 1HE2 GLN 38 12.260 18.749 -3.462
272 HE22 GLN 38 2HE2 GLN 38 13.895 18.607 -2.925
273 H LYS 39 H LYS 39 8.660 15.933 -5.177
274 HA LYS 39 HA LYS 39 8.381 14.678 -7.701
275 HB2 LYS 39 1HB LYS 39 7.842 17.538 -6.879
276 HB3 LYS 39 2HB LYS 39 7.319 16.809 -8.392
277 HG2 LYS 39 1HG LYS 39 6.525 15.644 -5.749
278 HG3 LYS 39 2HG LYS 39 5.629 16.979 -6.479
279 HD2 LYS 39 1HD LYS 39 6.215 14.434 -7.969
280 HD3 LYS 39 2HD LYS 39 4.785 14.621 -6.951
281 HE2 LYS 39 1HE LYS 39 5.447 16.607 -9.100
282 HE3 LYS 39 2HE LYS 39 4.572 15.122 -9.465
283 HZ1 LYS 39 3HZ LYS 39 3.723 17.176 -7.495
284 HZ2 LYS 39 1HZ LYS 39 2.877 15.761 -7.877
285 HZ3 LYS 39 2HZ LYS 39 3.070 16.972 -9.042
286 H ASN 40 H ASN 40 9.891 14.512 -9.212
287 HA ASN 40 HA ASN 40 11.614 16.821 -9.755
288 HB2 ASN 40 1HB ASN 40 12.514 13.996 -9.220
289 HB3 ASN 40 2HB ASN 40 13.496 15.113 -10.163
290 HD21 ASN 40 1HD2 ASN 40 14.460 14.033 -7.857
291 HD22 ASN 40 2HD2 ASN 40 14.582 15.254 -6.642
292 H SER 41 H SER 41 12.320 17.007 -11.897
293 HA SER 41 HA SER 41 10.562 16.251 -13.887
294 HB2 SER 41 1HB SER 41 13.502 16.928 -14.151
295 HB3 SER 41 2HB SER 41 12.353 16.884 -15.489
296 HG SER 41 HG SER 41 11.166 18.526 -14.379
297 H GLY 42 H GLY 42 10.133 14.382 -14.849
298 HA2 GLY 42 1HA GLY 42 12.288 12.387 -15.084
299 HA3 GLY 42 2HA GLY 42 10.725 11.920 -14.431
300 HA PRO 43 HA PRO 43 10.599 11.022 -18.945
301 HB2 PRO 43 1HB PRO 43 9.234 8.692 -18.663
302 HB3 PRO 43 2HB PRO 43 10.994 8.796 -18.538
303 HG2 PRO 43 1HG PRO 43 8.942 8.696 -16.360
304 HG3 PRO 43 2HG PRO 43 10.495 7.847 -16.474
305 HD2 PRO 43 1HD PRO 43 10.162 10.081 -14.980
306 HD3 PRO 43 2HD PRO 43 11.696 9.690 -15.784
307 H SER 44 H SER 44 9.164 12.722 -19.358
308 HA SER 44 HA SER 44 6.554 12.960 -18.408
309 HB2 SER 44 1HB SER 44 7.874 14.724 -19.636
310 HB3 SER 44 2HB SER 44 7.507 13.865 -21.132
311 HG SER 44 HG SER 44 5.287 14.188 -20.677
312 H SER 45 H SER 45 5.524 10.956 -18.448
313 HA SER 45 HA SER 45 4.861 9.914 -21.122
314 HB2 SER 45 1HB SER 45 5.279 8.585 -18.478
315 HB3 SER 45 2HB SER 45 4.142 7.859 -19.614
316 HG SER 45 HG SER 45 6.819 7.777 -19.634
317 H GLY 46 H GLY 46 2.705 9.290 -21.561
318 HA2 GLY 46 1HA GLY 46 0.585 9.643 -19.699
319 HA3 GLY 46 2HA GLY 46 0.726 11.048 -20.744
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -4.571 -33.163 -12.223
2 HA2 GLY 1 1HA GLY 1 -2.886 -31.645 -12.621
3 HA3 GLY 1 2HA GLY 1 -3.247 -31.979 -14.309
4 H SER 2 H SER 2 -5.132 -30.296 -11.809
5 HA SER 2 HA SER 2 -4.684 -27.721 -12.997
6 HB2 SER 2 1HB SER 2 -6.352 -28.724 -14.557
7 HB3 SER 2 2HB SER 2 -7.466 -28.900 -13.201
8 HG SER 2 HG SER 2 -6.495 -26.533 -14.395
9 H SER 3 H SER 3 -5.717 -25.996 -11.811
10 HA SER 3 HA SER 3 -6.616 -26.822 -9.128
11 HB2 SER 3 1HB SER 3 -4.739 -24.603 -9.935
12 HB3 SER 3 2HB SER 3 -5.557 -24.611 -8.373
13 HG SER 3 HG SER 3 -4.572 -26.632 -7.957
14 H GLY 4 H GLY 4 -8.174 -25.513 -8.101
15 HA2 GLY 4 1HA GLY 4 -9.602 -23.569 -8.069
16 HA3 GLY 4 2HA GLY 4 -9.478 -23.506 -9.821
17 H SER 5 H SER 5 -11.406 -24.403 -7.257
18 HA SER 5 HA SER 5 -12.884 -26.389 -8.837
19 HB2 SER 5 1HB SER 5 -12.860 -25.744 -5.890
20 HB3 SER 5 2HB SER 5 -14.106 -26.757 -6.619
21 HG SER 5 HG SER 5 -12.033 -27.851 -7.519
22 H SER 6 H SER 6 -13.654 -23.731 -6.583
23 HA SER 6 HA SER 6 -15.470 -22.541 -8.474
24 HB2 SER 6 1HB SER 6 -16.910 -24.302 -7.588
25 HB3 SER 6 2HB SER 6 -16.557 -23.790 -5.939
26 HG SER 6 HG SER 6 -17.955 -22.228 -6.133
27 H GLY 7 H GLY 7 -16.211 -20.463 -7.824
28 HA2 GLY 7 1HA GLY 7 -16.117 -18.463 -6.688
29 HA3 GLY 7 2HA GLY 7 -15.595 -19.359 -5.270
30 H SER 8 H SER 8 -14.714 -16.881 -7.055
31 HA SER 8 HA SER 8 -11.849 -17.554 -7.072
32 HB2 SER 8 1HB SER 8 -13.397 -15.459 -8.607
33 HB3 SER 8 2HB SER 8 -11.636 -15.551 -8.588
34 HG SER 8 HG SER 8 -12.100 -16.769 -10.289
35 H ARG 9 H ARG 9 -11.733 -17.187 -4.774
36 HA ARG 9 HA ARG 9 -12.176 -14.469 -3.835
37 HB2 ARG 9 1HB ARG 9 -11.113 -16.861 -2.322
38 HB3 ARG 9 2HB ARG 9 -11.663 -15.341 -1.628
39 HG2 ARG 9 1HG ARG 9 -13.917 -15.896 -2.738
40 HG3 ARG 9 2HG ARG 9 -13.273 -17.534 -2.871
41 HD2 ARG 9 1HD ARG 9 -13.241 -17.850 -0.591
42 HD3 ARG 9 2HD ARG 9 -13.129 -16.124 -0.248
43 HE ARG 9 HE ARG 9 -15.534 -17.666 -0.665
44 HH11 ARG 9 1HH1 ARG 9 -14.094 -14.497 -0.612
45 HH12 ARG 9 2HH1 ARG 9 -15.596 -13.677 -0.337
46 HH21 ARG 9 1HH2 ARG 9 -17.517 -16.598 -0.303
47 HH22 ARG 9 2HH2 ARG 9 -17.541 -14.873 -0.161
48 H GLU 10 H GLU 10 -10.202 -14.659 -5.804
49 HA GLU 10 HA GLU 10 -7.682 -14.381 -4.323
50 HB2 GLU 10 1HB GLU 10 -8.280 -14.820 -7.245
51 HB3 GLU 10 2HB GLU 10 -6.681 -14.371 -6.668
52 HG2 GLU 10 1HG GLU 10 -8.159 -16.791 -5.680
53 HG3 GLU 10 2HG GLU 10 -7.065 -16.822 -7.061
54 H LYS 11 H LYS 11 -9.823 -12.707 -6.572
55 HA LYS 11 HA LYS 11 -8.503 -10.484 -7.296
56 HB2 LYS 11 1HB LYS 11 -10.813 -10.762 -7.888
57 HB3 LYS 11 2HB LYS 11 -11.314 -10.655 -6.206
58 HG2 LYS 11 1HG LYS 11 -11.837 -8.556 -6.910
59 HG3 LYS 11 2HG LYS 11 -10.179 -8.286 -6.368
60 HD2 LYS 11 1HD LYS 11 -9.355 -8.420 -8.612
61 HD3 LYS 11 2HD LYS 11 -10.930 -8.941 -9.214
62 HE2 LYS 11 1HE LYS 11 -10.859 -6.683 -9.770
63 HE3 LYS 11 2HE LYS 11 -11.789 -6.705 -8.272
64 HZ1 LYS 11 3HZ LYS 11 -9.877 -5.011 -8.568
65 HZ2 LYS 11 1HZ LYS 11 -8.876 -6.315 -8.169
66 HZ3 LYS 11 2HZ LYS 11 -10.064 -5.797 -7.082
67 H SER 12 H SER 12 -7.078 -9.334 -6.164
68 HA SER 12 HA SER 12 -7.958 -8.083 -3.677
69 HB2 SER 12 1HB SER 12 -5.296 -9.507 -3.885
70 HB3 SER 12 2HB SER 12 -5.948 -8.683 -2.469
71 HG SER 12 HG SER 12 -7.707 -10.254 -2.593
72 H HIS 13 H HIS 13 -6.267 -6.430 -2.944
73 HA HIS 13 HA HIS 13 -5.162 -5.095 -5.328
74 HB2 HIS 13 1HB HIS 13 -6.505 -3.986 -2.877
75 HB3 HIS 13 2HB HIS 13 -5.426 -2.987 -3.846
76 HD1 HIS 13 HD1 HIS 13 -6.229 -3.620 -6.657
77 HD2 HIS 13 HD2 HIS 13 -8.998 -3.228 -3.585
78 HE1 HIS 13 HE1 HIS 13 -8.409 -3.070 -7.783
79 H GLN 14 H GLN 14 -3.561 -6.934 -4.170
80 HA GLN 14 HA GLN 14 -1.945 -6.013 -2.055
81 HB2 GLN 14 1HB GLN 14 -2.084 -8.377 -2.896
82 HB3 GLN 14 2HB GLN 14 -1.112 -7.883 -4.276
83 HG2 GLN 14 1HG GLN 14 0.613 -7.105 -2.577
84 HG3 GLN 14 2HG GLN 14 -0.319 -8.014 -1.389
85 HE21 GLN 14 1HE2 GLN 14 -0.878 -10.306 -2.213
86 HE22 GLN 14 2HE2 GLN 14 0.446 -11.186 -2.888
87 H CYS 15 H CYS 15 0.035 -4.975 -2.023
88 HA CYS 15 HA CYS 15 0.565 -3.288 -4.341
89 HB2 CYS 15 1HB CYS 15 0.481 -2.041 -2.339
90 HB3 CYS 15 2HB CYS 15 1.455 -3.219 -1.465
91 H ARG 16 H ARG 16 2.699 -3.016 -5.192
92 HA ARG 16 HA ARG 16 4.332 -5.452 -4.940
93 HB2 ARG 16 1HB ARG 16 3.782 -3.603 -7.236
94 HB3 ARG 16 2HB ARG 16 5.258 -4.559 -7.211
95 HG2 ARG 16 1HG ARG 16 4.040 -6.596 -7.219
96 HG3 ARG 16 2HG ARG 16 2.515 -5.756 -6.929
97 HD2 ARG 16 1HD ARG 16 4.230 -5.526 -9.400
98 HD3 ARG 16 2HD ARG 16 2.725 -6.434 -9.265
99 HE ARG 16 HE ARG 16 3.012 -3.598 -9.606
100 HH11 ARG 16 1HH1 ARG 16 0.948 -6.136 -8.416
101 HH12 ARG 16 2HH1 ARG 16 -0.505 -5.206 -8.574
102 HH21 ARG 16 1HH2 ARG 16 1.106 -2.363 -9.819
103 HH22 ARG 16 2HH2 ARG 16 -0.415 -3.061 -9.373
104 H GLU 17 H GLU 17 4.334 -1.981 -4.755
105 HA GLU 17 HA GLU 17 7.030 -1.388 -4.942
106 HB2 GLU 17 1HB GLU 17 4.826 -0.171 -3.292
107 HB3 GLU 17 2HB GLU 17 6.461 0.475 -3.265
108 HG2 GLU 17 1HG GLU 17 6.346 1.243 -5.421
109 HG3 GLU 17 2HG GLU 17 5.111 0.074 -5.887
110 H CYS 18 H CYS 18 5.221 -2.735 -2.246
111 HA CYS 18 HA CYS 18 7.775 -3.250 -0.880
112 HB2 CYS 18 1HB CYS 18 6.561 -2.919 1.295
113 HB3 CYS 18 2HB CYS 18 6.775 -1.450 0.348
114 H GLY 19 H GLY 19 4.354 -4.145 -1.183
115 HA2 GLY 19 1HA GLY 19 3.815 -6.463 -1.684
116 HA3 GLY 19 2HA GLY 19 5.152 -6.936 -0.645
117 H GLU 20 H GLU 20 1.935 -5.475 -0.658
118 HA GLU 20 HA GLU 20 1.406 -6.739 1.916
119 HB2 GLU 20 1HB GLU 20 2.195 -4.231 2.094
120 HB3 GLU 20 2HB GLU 20 0.541 -3.895 1.600
121 HG2 GLU 20 1HG GLU 20 -0.357 -4.735 3.541
122 HG3 GLU 20 2HG GLU 20 1.037 -5.764 3.866
123 H ILE 21 H ILE 21 -0.711 -7.324 2.214
124 HA ILE 21 HA ILE 21 -2.411 -7.128 -0.147
125 HB ILE 21 HB ILE 21 -2.820 -8.740 2.374
126 HG12 ILE 21 1HG1 ILE 21 -1.887 -9.687 -0.341
127 HG13 ILE 21 2HG1 ILE 21 -0.801 -9.354 1.004
128 HG21 ILE 21 1HG2 ILE 21 -4.195 -8.970 -0.298
129 HG22 ILE 21 2HG2 ILE 21 -4.530 -9.914 1.152
130 HG23 ILE 21 3HG2 ILE 21 -4.885 -8.187 1.123
131 HD11 ILE 21 3HD1 ILE 21 -2.162 -11.049 2.315
132 HD12 ILE 21 1HD1 ILE 21 -2.868 -11.510 0.766
133 HD13 ILE 21 2HD1 ILE 21 -1.130 -11.667 1.025
134 H PHE 22 H PHE 22 -4.326 -6.074 -0.229
135 HA PHE 22 HA PHE 22 -5.226 -4.708 2.221
136 HB2 PHE 22 1HB PHE 22 -5.341 -3.597 -0.590
137 HB3 PHE 22 2HB PHE 22 -5.863 -2.778 0.878
138 HD1 PHE 22 HD1 PHE 22 -2.891 -4.178 -0.835
139 HD2 PHE 22 HD2 PHE 22 -4.361 -1.515 2.142
140 HE1 PHE 22 HE1 PHE 22 -0.632 -3.242 -0.563
141 HE2 PHE 22 HE2 PHE 22 -2.105 -0.573 2.418
142 HZ PHE 22 HZ PHE 22 -0.237 -1.436 1.065
143 H PHE 23 H PHE 23 -7.552 -3.937 2.004
144 HA PHE 23 HA PHE 23 -9.136 -6.010 0.633
145 HB2 PHE 23 1HB PHE 23 -10.110 -4.564 3.078
146 HB3 PHE 23 2HB PHE 23 -10.618 -6.124 2.439
147 HD1 PHE 23 HD2 PHE 23 -9.175 -8.108 2.736
148 HD2 PHE 23 HD1 PHE 23 -8.286 -4.375 4.579
149 HE1 PHE 23 HE2 PHE 23 -7.641 -9.243 4.288
150 HE2 PHE 23 HE1 PHE 23 -6.750 -5.505 6.133
151 HZ PHE 23 HZ PHE 23 -6.426 -7.942 5.990
152 H GLN 24 H GLN 24 -9.512 -2.751 2.038
153 HA GLN 24 HA GLN 24 -11.588 -2.119 0.121
154 HB2 GLN 24 1HB GLN 24 -11.471 -1.389 2.605
155 HB3 GLN 24 2HB GLN 24 -10.356 -0.156 2.032
156 HG2 GLN 24 1HG GLN 24 -12.524 0.809 2.149
157 HG3 GLN 24 2HG GLN 24 -12.112 0.606 0.447
158 HE21 GLN 24 1HE2 GLN 24 -13.929 -0.799 3.113
159 HE22 GLN 24 2HE2 GLN 24 -15.125 -1.570 2.133
160 H TYR 25 H TYR 25 -11.464 -0.620 -1.519
161 HA TYR 25 HA TYR 25 -8.995 -0.341 -2.836
162 HB2 TYR 25 1HB TYR 25 -10.955 -0.284 -4.171
163 HB3 TYR 25 2HB TYR 25 -11.666 1.007 -3.209
164 HD1 TYR 25 HD1 TYR 25 -8.219 0.814 -4.590
165 HD2 TYR 25 HD2 TYR 25 -12.028 2.701 -4.784
166 HE1 TYR 25 HE1 TYR 25 -7.309 2.477 -6.157
167 HE2 TYR 25 HE2 TYR 25 -11.128 4.368 -6.352
168 HH TYR 25 HH TYR 25 -7.813 4.775 -6.900
169 H VAL 26 H VAL 26 -10.682 1.693 -0.556
170 HA VAL 26 HA VAL 26 -9.187 4.065 -1.020
171 HB VAL 26 HB VAL 26 -10.557 3.295 1.555
172 HG11 VAL 26 1HG1 VAL 26 -10.057 6.000 0.320
173 HG12 VAL 26 2HG1 VAL 26 -10.767 5.671 1.902
174 HG13 VAL 26 3HG1 VAL 26 -9.075 5.279 1.595
175 HG21 VAL 26 3HG2 VAL 26 -11.930 4.918 -0.527
176 HG22 VAL 26 1HG2 VAL 26 -11.878 3.166 -0.725
177 HG23 VAL 26 2HG2 VAL 26 -12.608 3.869 0.718
178 H SER 27 H SER 27 -8.480 1.131 0.578
179 HA SER 27 HA SER 27 -6.499 2.237 2.366
180 HB2 SER 27 1HB SER 27 -7.114 -0.637 1.637
181 HB3 SER 27 2HB SER 27 -6.019 -0.124 2.920
182 HG SER 27 HG SER 27 -7.811 -0.283 4.048
183 H LEU 28 H LEU 28 -6.614 0.852 -0.822
184 HA LEU 28 HA LEU 28 -3.786 0.381 -1.014
185 HB2 LEU 28 1HB LEU 28 -5.180 -0.993 -2.342
186 HB3 LEU 28 2HB LEU 28 -6.030 0.397 -3.014
187 HG LEU 28 HG LEU 28 -3.863 1.019 -4.153
188 HD11 LEU 28 1HD1 LEU 28 -2.517 -0.493 -2.601
189 HD12 LEU 28 2HD1 LEU 28 -2.106 -0.518 -4.315
190 HD13 LEU 28 3HD1 LEU 28 -3.065 -1.824 -3.620
191 HD21 LEU 28 3HD2 LEU 28 -4.163 -1.257 -5.631
192 HD22 LEU 28 1HD2 LEU 28 -5.170 0.184 -5.768
193 HD23 LEU 28 2HD2 LEU 28 -5.702 -1.171 -4.773
194 H ILE 29 H ILE 29 -6.017 2.744 -2.476
195 HA ILE 29 HA ILE 29 -4.112 4.274 -3.813
196 HB ILE 29 HB ILE 29 -6.658 4.430 -3.970
197 HG12 ILE 29 1HG1 ILE 29 -5.221 7.078 -3.760
198 HG13 ILE 29 2HG1 ILE 29 -4.950 5.945 -5.079
199 HG21 ILE 29 1HG2 ILE 29 -6.902 4.838 -1.491
200 HG22 ILE 29 2HG2 ILE 29 -6.321 6.475 -1.790
201 HG23 ILE 29 3HG2 ILE 29 -7.817 5.919 -2.541
202 HD11 ILE 29 3HD1 ILE 29 -6.821 7.952 -5.016
203 HD12 ILE 29 1HD1 ILE 29 -6.798 6.585 -6.129
204 HD13 ILE 29 2HD1 ILE 29 -7.764 6.507 -4.655
205 H GLU 30 H GLU 30 -5.244 4.444 -0.476
206 HA GLU 30 HA GLU 30 -3.862 6.843 0.175
207 HB2 GLU 30 1HB GLU 30 -4.695 6.576 2.296
208 HB3 GLU 30 2HB GLU 30 -5.825 5.572 1.398
209 HG2 GLU 30 1HG GLU 30 -5.289 4.244 3.202
210 HG3 GLU 30 2HG GLU 30 -4.202 3.646 1.950
211 H HIS 31 H HIS 31 -3.080 3.413 0.424
212 HA HIS 31 HA HIS 31 -0.702 3.697 1.915
213 HB2 HIS 31 1HB HIS 31 -1.574 1.524 1.861
214 HB3 HIS 31 2HB HIS 31 -1.789 1.552 0.113
215 HD1 HIS 31 HD1 HIS 31 0.639 0.687 2.755
216 HD2 HIS 31 HD2 HIS 31 0.615 1.128 -1.377
217 HE1 HIS 31 HE1 HIS 31 2.763 -0.392 1.952
218 H GLN 32 H GLN 32 -1.326 3.600 -1.569
219 HA GLN 32 HA GLN 32 1.143 3.443 -2.657
220 HB2 GLN 32 1HB GLN 32 -1.134 5.265 -3.418
221 HB3 GLN 32 2HB GLN 32 0.319 5.114 -4.396
222 HG2 GLN 32 1HG GLN 32 -0.112 2.711 -4.639
223 HG3 GLN 32 2HG GLN 32 -1.592 2.896 -3.699
224 HE21 GLN 32 1HE2 GLN 32 -2.816 2.128 -5.442
225 HE22 GLN 32 2HE2 GLN 32 -3.150 3.115 -6.819
226 H VAL 33 H VAL 33 -0.245 6.288 -1.093
227 HA VAL 33 HA VAL 33 1.664 8.189 -1.723
228 HB VAL 33 HB VAL 33 0.177 7.869 0.888
229 HG11 VAL 33 1HG1 VAL 33 2.229 9.365 0.901
230 HG12 VAL 33 2HG1 VAL 33 1.348 10.409 -0.215
231 HG13 VAL 33 3HG1 VAL 33 0.709 10.106 1.401
232 HG21 VAL 33 3HG2 VAL 33 -1.603 8.918 -0.045
233 HG22 VAL 33 1HG2 VAL 33 -0.602 9.890 -1.124
234 HG23 VAL 33 2HG2 VAL 33 -0.949 8.207 -1.521
235 H LEU 34 H LEU 34 1.708 5.764 0.855
236 HA LEU 34 HA LEU 34 3.830 6.484 2.373
237 HB2 LEU 34 1HB LEU 34 3.229 3.731 1.307
238 HB3 LEU 34 2HB LEU 34 4.338 4.067 2.635
239 HG LEU 34 HG LEU 34 1.439 4.851 2.749
240 HD11 LEU 34 1HD1 LEU 34 2.489 2.201 2.692
241 HD12 LEU 34 2HD1 LEU 34 0.824 2.732 2.927
242 HD13 LEU 34 3HD1 LEU 34 1.895 2.552 4.316
243 HD21 LEU 34 3HD2 LEU 34 3.367 4.199 4.965
244 HD22 LEU 34 1HD2 LEU 34 1.795 4.990 5.085
245 HD23 LEU 34 2HD2 LEU 34 3.148 5.829 4.325
246 H HIS 35 H HIS 35 3.957 5.153 -0.881
247 HA HIS 35 HA HIS 35 6.873 5.177 -0.858
248 HB2 HIS 35 1HB HIS 35 5.003 4.402 -3.105
249 HB3 HIS 35 2HB HIS 35 6.734 4.085 -3.017
250 HD1 HIS 35 HD1 HIS 35 7.195 2.727 -0.471
251 HD2 HIS 35 HD2 HIS 35 3.705 2.092 -2.634
252 HE1 HIS 35 HE1 HIS 35 6.305 0.513 0.323
253 H MET 36 H MET 36 5.552 7.690 -0.603
254 HA MET 36 HA MET 36 5.876 8.960 -3.215
255 HB2 MET 36 1HB MET 36 4.855 10.914 -2.212
256 HB3 MET 36 2HB MET 36 3.877 9.496 -1.859
257 HG2 MET 36 1HG MET 36 3.885 10.471 0.188
258 HG3 MET 36 2HG MET 36 5.324 9.465 0.338
259 HE1 MET 36 3HE MET 36 5.838 12.769 2.331
260 HE2 MET 36 1HE MET 36 4.374 13.137 1.418
261 HE3 MET 36 2HE MET 36 4.579 11.546 2.152
262 H GLY 37 H GLY 37 7.260 8.959 0.027
263 HA2 GLY 37 1HA GLY 37 9.845 9.545 -0.697
264 HA3 GLY 37 2HA GLY 37 9.079 11.111 -0.475
265 H GLN 38 H GLN 38 8.623 8.077 1.312
266 HA GLN 38 HA GLN 38 8.301 9.039 3.809
267 HB2 GLN 38 1HB GLN 38 8.284 6.627 3.139
268 HB3 GLN 38 2HB GLN 38 10.041 6.646 3.201
269 HG2 GLN 38 1HG GLN 38 9.347 5.726 5.239
270 HG3 GLN 38 2HG GLN 38 9.817 7.385 5.606
271 HE21 GLN 38 1HE2 GLN 38 8.565 7.761 7.345
272 HE22 GLN 38 2HE2 GLN 38 6.838 7.731 7.331
273 H LYS 39 H LYS 39 11.416 8.554 2.200
274 HA LYS 39 HA LYS 39 13.263 8.946 4.098
275 HB2 LYS 39 1HB LYS 39 13.065 10.050 1.324
276 HB3 LYS 39 2HB LYS 39 14.414 10.532 2.344
277 HG2 LYS 39 1HG LYS 39 15.240 8.725 1.143
278 HG3 LYS 39 2HG LYS 39 14.792 8.022 2.700
279 HD2 LYS 39 1HD LYS 39 12.809 7.080 1.803
280 HD3 LYS 39 2HD LYS 39 12.952 8.020 0.316
281 HE2 LYS 39 1HE LYS 39 13.712 5.953 -0.364
282 HE3 LYS 39 2HE LYS 39 15.219 6.760 0.066
283 HZ1 LYS 39 3HZ LYS 39 13.727 4.745 1.643
284 HZ2 LYS 39 1HZ LYS 39 14.965 5.687 2.306
285 HZ3 LYS 39 2HZ LYS 39 15.299 4.629 1.030
286 H ASN 40 H ASN 40 13.175 10.214 5.836
287 HA ASN 40 HA ASN 40 12.007 12.873 5.665
288 HB2 ASN 40 1HB ASN 40 13.181 11.504 8.091
289 HB3 ASN 40 2HB ASN 40 12.106 12.899 8.070
290 HD21 ASN 40 1HD2 ASN 40 12.254 9.661 8.562
291 HD22 ASN 40 2HD2 ASN 40 10.599 9.248 8.287
292 H SER 41 H SER 41 13.237 14.524 5.075
293 HA SER 41 HA SER 41 15.936 14.598 4.696
294 HB2 SER 41 1HB SER 41 14.260 16.936 5.641
295 HB3 SER 41 2HB SER 41 15.792 17.034 4.773
296 HG SER 41 HG SER 41 14.433 17.148 3.136
297 H GLY 42 H GLY 42 14.431 16.206 7.506
298 HA2 GLY 42 1HA GLY 42 15.394 15.272 9.703
299 HA3 GLY 42 2HA GLY 42 16.932 15.731 8.987
300 HA PRO 43 HA PRO 43 14.420 19.779 9.968
301 HB2 PRO 43 1HB PRO 43 12.459 19.475 11.820
302 HB3 PRO 43 2HB PRO 43 12.170 19.331 10.082
303 HG2 PRO 43 1HG PRO 43 12.569 17.175 12.120
304 HG3 PRO 43 2HG PRO 43 11.394 17.258 10.794
305 HD2 PRO 43 1HD PRO 43 13.673 15.805 10.633
306 HD3 PRO 43 2HD PRO 43 12.936 16.585 9.219
307 H SER 44 H SER 44 15.863 17.472 11.846
308 HA SER 44 HA SER 44 15.875 18.724 14.397
309 HB2 SER 44 1HB SER 44 17.497 17.103 15.020
310 HB3 SER 44 2HB SER 44 16.430 16.289 13.877
311 HG SER 44 HG SER 44 18.904 17.499 13.190
312 H SER 45 H SER 45 17.004 20.409 15.104
313 HA SER 45 HA SER 45 18.295 22.303 14.960
314 HB2 SER 45 1HB SER 45 20.324 20.131 14.383
315 HB3 SER 45 2HB SER 45 20.729 21.782 14.854
316 HG SER 45 HG SER 45 20.069 21.396 16.852
317 H GLY 46 H GLY 46 16.899 22.192 12.674
318 HA2 GLY 46 1HA GLY 46 17.262 23.681 10.794
319 HA3 GLY 46 2HA GLY 46 18.890 23.031 10.664
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.063 -24.705 -15.364
2 HA2 GLY 1 1HA GLY 1 3.085 -23.120 -17.626
3 HA3 GLY 1 2HA GLY 1 1.746 -24.231 -17.875
4 H SER 2 H SER 2 0.078 -23.880 -15.862
5 HA SER 2 HA SER 2 -0.808 -21.126 -16.230
6 HB2 SER 2 1HB SER 2 -2.242 -23.481 -14.977
7 HB3 SER 2 2HB SER 2 -2.955 -21.908 -15.334
8 HG SER 2 HG SER 2 -3.464 -23.155 -17.053
9 H SER 3 H SER 3 -0.399 -19.630 -14.759
10 HA SER 3 HA SER 3 -0.257 -20.416 -11.930
11 HB2 SER 3 1HB SER 3 1.778 -18.944 -13.548
12 HB3 SER 3 2HB SER 3 1.552 -18.477 -11.863
13 HG SER 3 HG SER 3 2.098 -20.531 -11.230
14 H GLY 4 H GLY 4 -2.512 -19.368 -13.172
15 HA2 GLY 4 1HA GLY 4 -3.608 -17.576 -11.593
16 HA3 GLY 4 2HA GLY 4 -2.550 -16.515 -12.511
17 H SER 5 H SER 5 -5.623 -17.280 -12.272
18 HA SER 5 HA SER 5 -6.508 -18.055 -14.800
19 HB2 SER 5 1HB SER 5 -7.831 -16.294 -12.726
20 HB3 SER 5 2HB SER 5 -8.654 -16.913 -14.158
21 HG SER 5 HG SER 5 -7.836 -18.241 -11.856
22 H SER 6 H SER 6 -7.741 -16.651 -16.344
23 HA SER 6 HA SER 6 -6.179 -14.929 -17.721
24 HB2 SER 6 1HB SER 6 -9.160 -15.090 -17.439
25 HB3 SER 6 2HB SER 6 -8.447 -13.805 -18.413
26 HG SER 6 HG SER 6 -7.457 -15.380 -19.687
27 H GLY 7 H GLY 7 -8.597 -13.892 -15.309
28 HA2 GLY 7 1HA GLY 7 -6.872 -11.660 -14.577
29 HA3 GLY 7 2HA GLY 7 -8.436 -11.237 -15.259
30 H SER 8 H SER 8 -6.955 -13.184 -12.681
31 HA SER 8 HA SER 8 -9.390 -12.789 -11.081
32 HB2 SER 8 1HB SER 8 -7.243 -14.889 -11.063
33 HB3 SER 8 2HB SER 8 -8.225 -14.612 -9.624
34 HG SER 8 HG SER 8 -9.503 -14.923 -12.097
35 H ARG 9 H ARG 9 -7.582 -10.650 -11.380
36 HA ARG 9 HA ARG 9 -6.211 -10.548 -8.782
37 HB2 ARG 9 1HB ARG 9 -5.775 -9.201 -11.406
38 HB3 ARG 9 2HB ARG 9 -5.321 -8.332 -9.946
39 HG2 ARG 9 1HG ARG 9 -3.356 -9.380 -10.401
40 HG3 ARG 9 2HG ARG 9 -4.113 -10.606 -9.382
41 HD2 ARG 9 1HD ARG 9 -3.376 -11.856 -11.179
42 HD3 ARG 9 2HD ARG 9 -5.049 -11.520 -11.622
43 HE ARG 9 HE ARG 9 -3.101 -9.634 -12.630
44 HH11 ARG 9 1HH1 ARG 9 -4.917 -12.545 -13.220
45 HH12 ARG 9 2HH1 ARG 9 -4.769 -12.443 -14.944
46 HH21 ARG 9 1HH2 ARG 9 -2.899 -9.488 -14.897
47 HH22 ARG 9 2HH2 ARG 9 -3.621 -10.704 -15.896
48 H GLU 10 H GLU 10 -8.860 -10.367 -8.476
49 HA GLU 10 HA GLU 10 -9.319 -7.494 -8.014
50 HB2 GLU 10 1HB GLU 10 -11.767 -8.010 -8.253
51 HB3 GLU 10 2HB GLU 10 -10.834 -8.148 -9.736
52 HG2 GLU 10 1HG GLU 10 -12.044 -10.054 -9.892
53 HG3 GLU 10 2HG GLU 10 -10.670 -10.671 -8.976
54 H LYS 11 H LYS 11 -10.361 -10.736 -6.966
55 HA LYS 11 HA LYS 11 -11.634 -10.306 -4.657
56 HB2 LYS 11 1HB LYS 11 -9.587 -12.347 -5.406
57 HB3 LYS 11 2HB LYS 11 -10.146 -12.298 -3.739
58 HG2 LYS 11 1HG LYS 11 -12.045 -12.453 -6.057
59 HG3 LYS 11 2HG LYS 11 -11.338 -13.888 -5.312
60 HD2 LYS 11 1HD LYS 11 -12.717 -11.826 -3.634
61 HD3 LYS 11 2HD LYS 11 -13.652 -13.048 -4.498
62 HE2 LYS 11 1HE LYS 11 -13.330 -14.117 -2.500
63 HE3 LYS 11 2HE LYS 11 -11.917 -14.684 -3.389
64 HZ1 LYS 11 3HZ LYS 11 -11.511 -12.207 -1.966
65 HZ2 LYS 11 1HZ LYS 11 -10.535 -13.588 -2.038
66 HZ3 LYS 11 2HZ LYS 11 -11.839 -13.529 -0.963
67 H SER 12 H SER 12 -8.071 -10.456 -4.809
68 HA SER 12 HA SER 12 -8.003 -8.757 -2.402
69 HB2 SER 12 1HB SER 12 -6.147 -11.003 -3.207
70 HB3 SER 12 2HB SER 12 -5.793 -9.866 -1.907
71 HG SER 12 HG SER 12 -7.573 -11.975 -1.983
72 H HIS 13 H HIS 13 -5.768 -7.660 -2.194
73 HA HIS 13 HA HIS 13 -4.672 -6.882 -4.789
74 HB2 HIS 13 1HB HIS 13 -6.021 -5.042 -2.836
75 HB3 HIS 13 2HB HIS 13 -4.739 -4.443 -3.885
76 HD1 HIS 13 HD1 HIS 13 -5.251 -5.129 -6.568
77 HD2 HIS 13 HD2 HIS 13 -8.455 -4.742 -3.951
78 HE1 HIS 13 HE1 HIS 13 -7.269 -4.769 -8.025
79 H GLN 14 H GLN 14 -2.553 -7.148 -4.652
80 HA GLN 14 HA GLN 14 -1.242 -6.774 -2.047
81 HB2 GLN 14 1HB GLN 14 -1.087 -9.009 -3.243
82 HB3 GLN 14 2HB GLN 14 -0.097 -8.195 -4.448
83 HG2 GLN 14 1HG GLN 14 1.401 -7.500 -2.514
84 HG3 GLN 14 2HG GLN 14 0.514 -8.683 -1.554
85 HE21 GLN 14 1HE2 GLN 14 0.973 -10.802 -1.766
86 HE22 GLN 14 2HE2 GLN 14 2.179 -11.436 -2.828
87 H CYS 15 H CYS 15 0.727 -5.630 -1.913
88 HA CYS 15 HA CYS 15 0.951 -3.508 -3.902
89 HB2 CYS 15 1HB CYS 15 0.852 -2.781 -1.603
90 HB3 CYS 15 2HB CYS 15 2.177 -3.852 -1.161
91 H ARG 16 H ARG 16 2.386 -3.620 -5.484
92 HA ARG 16 HA ARG 16 4.581 -5.534 -5.304
93 HB2 ARG 16 1HB ARG 16 2.955 -5.185 -7.328
94 HB3 ARG 16 2HB ARG 16 4.028 -3.848 -7.718
95 HG2 ARG 16 1HG ARG 16 5.929 -5.465 -7.683
96 HG3 ARG 16 2HG ARG 16 4.744 -6.761 -7.509
97 HD2 ARG 16 1HD ARG 16 3.788 -6.294 -9.625
98 HD3 ARG 16 2HD ARG 16 4.653 -4.764 -9.755
99 HE ARG 16 HE ARG 16 6.614 -6.662 -9.579
100 HH11 ARG 16 1HH1 ARG 16 3.899 -6.090 -11.681
101 HH12 ARG 16 2HH1 ARG 16 4.648 -6.819 -13.063
102 HH21 ARG 16 1HH2 ARG 16 7.612 -7.623 -11.391
103 HH22 ARG 16 2HH2 ARG 16 6.760 -7.691 -12.896
104 H GLU 17 H GLU 17 4.639 -3.070 -3.745
105 HA GLU 17 HA GLU 17 6.994 -1.785 -4.965
106 HB2 GLU 17 1HB GLU 17 5.079 -0.538 -2.989
107 HB3 GLU 17 2HB GLU 17 6.419 0.259 -3.803
108 HG2 GLU 17 1HG GLU 17 5.262 -0.186 -5.970
109 HG3 GLU 17 2HG GLU 17 3.877 -0.761 -5.043
110 H CYS 18 H CYS 18 5.478 -2.612 -1.855
111 HA CYS 18 HA CYS 18 8.184 -2.932 -0.731
112 HB2 CYS 18 1HB CYS 18 7.231 -2.310 1.466
113 HB3 CYS 18 2HB CYS 18 7.090 -1.011 0.285
114 H GLY 19 H GLY 19 4.804 -4.012 -0.495
115 HA2 GLY 19 1HA GLY 19 4.586 -6.507 -0.729
116 HA3 GLY 19 2HA GLY 19 5.810 -6.595 0.530
117 H GLU 20 H GLU 20 2.515 -5.518 -0.164
118 HA GLU 20 HA GLU 20 1.769 -6.235 2.566
119 HB2 GLU 20 1HB GLU 20 1.565 -3.508 1.367
120 HB3 GLU 20 2HB GLU 20 0.283 -4.049 2.442
121 HG2 GLU 20 1HG GLU 20 3.193 -3.673 3.062
122 HG3 GLU 20 2HG GLU 20 1.803 -2.863 3.783
123 H ILE 21 H ILE 21 -0.457 -6.701 2.835
124 HA ILE 21 HA ILE 21 -1.894 -7.126 0.296
125 HB ILE 21 HB ILE 21 -2.062 -8.786 2.814
126 HG12 ILE 21 1HG1 ILE 21 -0.987 -9.576 0.103
127 HG13 ILE 21 2HG1 ILE 21 0.036 -9.018 1.422
128 HG21 ILE 21 1HG2 ILE 21 -3.383 -9.207 0.137
129 HG22 ILE 21 2HG2 ILE 21 -3.517 -10.253 1.550
130 HG23 ILE 21 3HG2 ILE 21 -4.191 -8.624 1.592
131 HD11 ILE 21 3HD1 ILE 21 -0.396 -10.910 2.709
132 HD12 ILE 21 1HD1 ILE 21 -1.817 -11.344 1.760
133 HD13 ILE 21 2HD1 ILE 21 -0.205 -11.530 1.069
134 H PHE 22 H PHE 22 -3.680 -5.968 0.074
135 HA PHE 22 HA PHE 22 -5.149 -5.163 2.498
136 HB2 PHE 22 1HB PHE 22 -4.717 -3.565 -0.034
137 HB3 PHE 22 2HB PHE 22 -5.787 -3.087 1.280
138 HD1 PHE 22 HD1 PHE 22 -2.317 -3.456 0.207
139 HD2 PHE 22 HD2 PHE 22 -4.899 -2.299 3.386
140 HE1 PHE 22 HE1 PHE 22 -0.429 -2.351 1.333
141 HE2 PHE 22 HE2 PHE 22 -3.016 -1.191 4.517
142 HZ PHE 22 HZ PHE 22 -0.777 -1.216 3.491
143 H PHE 23 H PHE 23 -7.421 -5.020 2.329
144 HA PHE 23 HA PHE 23 -8.523 -6.734 0.222
145 HB2 PHE 23 1HB PHE 23 -9.966 -5.837 2.712
146 HB3 PHE 23 2HB PHE 23 -10.322 -7.222 1.685
147 HD1 PHE 23 HD2 PHE 23 -8.771 -9.182 1.699
148 HD2 PHE 23 HD1 PHE 23 -8.464 -6.002 4.512
149 HE1 PHE 23 HE2 PHE 23 -7.423 -10.619 3.172
150 HE2 PHE 23 HE1 PHE 23 -7.114 -7.434 5.989
151 HZ PHE 23 HZ PHE 23 -6.593 -9.747 5.320
152 H GLN 24 H GLN 24 -9.313 -3.730 1.965
153 HA GLN 24 HA GLN 24 -11.354 -2.988 0.104
154 HB2 GLN 24 1HB GLN 24 -9.939 -1.375 2.233
155 HB3 GLN 24 2HB GLN 24 -11.345 -0.829 1.330
156 HG2 GLN 24 1HG GLN 24 -12.370 -1.590 3.204
157 HG3 GLN 24 2HG GLN 24 -12.380 -3.069 2.246
158 HE21 GLN 24 1HE2 GLN 24 -9.916 -1.424 4.199
159 HE22 GLN 24 2HE2 GLN 24 -9.542 -2.791 5.188
160 H TYR 25 H TYR 25 -11.257 -0.772 -0.966
161 HA TYR 25 HA TYR 25 -8.923 -0.733 -2.672
162 HB2 TYR 25 1HB TYR 25 -11.430 -0.369 -3.329
163 HB3 TYR 25 2HB TYR 25 -11.129 1.291 -2.828
164 HD1 TYR 25 HD1 TYR 25 -9.636 -1.356 -5.003
165 HD2 TYR 25 HD2 TYR 25 -10.369 2.793 -4.412
166 HE1 TYR 25 HE1 TYR 25 -8.661 -0.875 -7.210
167 HE2 TYR 25 HE2 TYR 25 -9.398 3.285 -6.617
168 HH TYR 25 HH TYR 25 -9.104 1.867 -8.857
169 H VAL 26 H VAL 26 -10.641 1.750 -0.768
170 HA VAL 26 HA VAL 26 -8.910 3.836 -0.957
171 HB VAL 26 HB VAL 26 -10.332 2.955 1.559
172 HG11 VAL 26 1HG1 VAL 26 -10.081 5.178 2.372
173 HG12 VAL 26 2HG1 VAL 26 -8.480 4.620 1.881
174 HG13 VAL 26 3HG1 VAL 26 -9.386 5.724 0.845
175 HG21 VAL 26 3HG2 VAL 26 -11.618 3.409 -0.655
176 HG22 VAL 26 1HG2 VAL 26 -12.193 4.129 0.849
177 HG23 VAL 26 2HG2 VAL 26 -11.273 5.101 -0.299
178 H SER 27 H SER 27 -8.548 0.979 1.072
179 HA SER 27 HA SER 27 -6.404 1.808 2.649
180 HB2 SER 27 1HB SER 27 -7.091 -0.952 1.616
181 HB3 SER 27 2HB SER 27 -5.888 -0.632 2.865
182 HG SER 27 HG SER 27 -7.450 -0.493 4.248
183 H LEU 28 H LEU 28 -6.393 0.183 -0.509
184 HA LEU 28 HA LEU 28 -3.537 0.192 -0.712
185 HB2 LEU 28 1HB LEU 28 -4.921 -1.493 -1.824
186 HB3 LEU 28 2HB LEU 28 -5.644 -0.237 -2.826
187 HG LEU 28 HG LEU 28 -3.312 0.190 -3.727
188 HD11 LEU 28 1HD1 LEU 28 -1.569 -0.945 -2.958
189 HD12 LEU 28 2HD1 LEU 28 -2.388 -2.483 -3.224
190 HD13 LEU 28 3HD1 LEU 28 -2.616 -1.614 -1.707
191 HD21 LEU 28 3HD2 LEU 28 -4.652 -2.466 -4.218
192 HD22 LEU 28 1HD2 LEU 28 -3.425 -1.747 -5.261
193 HD23 LEU 28 2HD2 LEU 28 -4.981 -0.944 -5.046
194 H ILE 29 H ILE 29 -5.982 1.782 -2.769
195 HA ILE 29 HA ILE 29 -4.466 3.472 -4.213
196 HB ILE 29 HB ILE 29 -6.993 3.324 -4.207
197 HG12 ILE 29 1HG1 ILE 29 -5.968 6.162 -4.244
198 HG13 ILE 29 2HG1 ILE 29 -5.558 4.993 -5.495
199 HG21 ILE 29 1HG2 ILE 29 -6.917 5.598 -2.258
200 HG22 ILE 29 2HG2 ILE 29 -8.287 4.610 -2.763
201 HG23 ILE 29 3HG2 ILE 29 -7.052 3.929 -1.705
202 HD11 ILE 29 3HD1 ILE 29 -7.347 5.932 -6.492
203 HD12 ILE 29 1HD1 ILE 29 -8.209 4.731 -5.530
204 HD13 ILE 29 2HD1 ILE 29 -8.096 6.398 -4.965
205 H GLU 30 H GLU 30 -5.275 3.858 -0.812
206 HA GLU 30 HA GLU 30 -4.107 6.474 -0.603
207 HB2 GLU 30 1HB GLU 30 -5.955 5.591 0.870
208 HB3 GLU 30 2HB GLU 30 -4.756 4.563 1.643
209 HG2 GLU 30 1HG GLU 30 -3.737 6.307 2.706
210 HG3 GLU 30 2HG GLU 30 -4.221 7.480 1.484
211 H HIS 31 H HIS 31 -3.179 3.232 0.544
212 HA HIS 31 HA HIS 31 -0.803 3.784 1.776
213 HB2 HIS 31 1HB HIS 31 -1.529 1.549 1.857
214 HB3 HIS 31 2HB HIS 31 -1.660 1.435 0.104
215 HD1 HIS 31 HD1 HIS 31 1.129 1.977 2.645
216 HD2 HIS 31 HD2 HIS 31 0.405 0.082 -0.980
217 HE1 HIS 31 HE1 HIS 31 3.258 0.762 2.085
218 H GLN 32 H GLN 32 -1.380 3.445 -1.695
219 HA GLN 32 HA GLN 32 1.221 3.481 -2.631
220 HB2 GLN 32 1HB GLN 32 -1.286 4.670 -3.816
221 HB3 GLN 32 2HB GLN 32 0.241 4.583 -4.684
222 HG2 GLN 32 1HG GLN 32 0.155 2.072 -4.190
223 HG3 GLN 32 2HG GLN 32 -1.540 2.349 -3.793
224 HE21 GLN 32 1HE2 GLN 32 -2.694 1.590 -5.419
225 HE22 GLN 32 2HE2 GLN 32 -2.424 1.918 -7.093
226 H VAL 33 H VAL 33 -0.884 6.242 -1.882
227 HA VAL 33 HA VAL 33 0.592 8.366 -2.692
228 HB VAL 33 HB VAL 33 -0.812 8.136 -0.027
229 HG11 VAL 33 1HG1 VAL 33 0.336 10.462 -1.518
230 HG12 VAL 33 2HG1 VAL 33 -1.052 10.678 -0.450
231 HG13 VAL 33 3HG1 VAL 33 0.468 10.057 0.193
232 HG21 VAL 33 3HG2 VAL 33 -2.779 8.573 -1.064
233 HG22 VAL 33 1HG2 VAL 33 -2.024 9.561 -2.315
234 HG23 VAL 33 2HG2 VAL 33 -1.962 7.802 -2.424
235 H LEU 34 H LEU 34 1.048 6.634 0.384
236 HA LEU 34 HA LEU 34 3.084 8.110 1.483
237 HB2 LEU 34 1HB LEU 34 2.706 5.121 1.509
238 HB3 LEU 34 2HB LEU 34 3.835 5.985 2.550
239 HG LEU 34 HG LEU 34 0.870 6.506 2.573
240 HD11 LEU 34 1HD1 LEU 34 0.535 4.586 3.625
241 HD12 LEU 34 2HD1 LEU 34 1.670 5.088 4.878
242 HD13 LEU 34 3HD1 LEU 34 2.246 4.179 3.480
243 HD21 LEU 34 3HD2 LEU 34 2.511 8.197 3.494
244 HD22 LEU 34 1HD2 LEU 34 2.922 6.994 4.717
245 HD23 LEU 34 2HD2 LEU 34 1.276 7.621 4.615
246 H HIS 35 H HIS 35 3.415 5.393 -0.792
247 HA HIS 35 HA HIS 35 6.185 5.337 -0.968
248 HB2 HIS 35 1HB HIS 35 4.015 4.633 -2.929
249 HB3 HIS 35 2HB HIS 35 5.716 4.468 -3.357
250 HD1 HIS 35 HD1 HIS 35 6.924 3.208 -0.927
251 HD2 HIS 35 HD2 HIS 35 3.182 2.126 -2.373
252 HE1 HIS 35 HE1 HIS 35 6.505 0.892 -0.041
253 H MET 36 H MET 36 3.904 7.084 -3.081
254 HA MET 36 HA MET 36 6.012 8.471 -4.442
255 HB2 MET 36 1HB MET 36 4.180 9.712 -5.534
256 HB3 MET 36 2HB MET 36 3.939 7.971 -5.608
257 HG2 MET 36 1HG MET 36 2.459 8.242 -3.564
258 HG3 MET 36 2HG MET 36 2.522 9.973 -3.885
259 HE1 MET 36 3HE MET 36 -0.560 9.701 -4.278
260 HE2 MET 36 1HE MET 36 0.703 10.904 -4.537
261 HE3 MET 36 2HE MET 36 -0.404 10.492 -5.847
262 H GLY 37 H GLY 37 7.092 10.154 -3.667
263 HA2 GLY 37 1HA GLY 37 6.569 12.560 -2.949
264 HA3 GLY 37 2HA GLY 37 5.826 11.781 -1.560
265 H GLN 38 H GLN 38 7.208 10.517 -0.144
266 HA GLN 38 HA GLN 38 9.650 11.877 0.408
267 HB2 GLN 38 1HB GLN 38 8.046 10.768 2.075
268 HB3 GLN 38 2HB GLN 38 8.815 9.252 1.623
269 HG2 GLN 38 1HG GLN 38 10.097 11.641 2.919
270 HG3 GLN 38 2HG GLN 38 9.848 10.040 3.612
271 HE21 GLN 38 1HE2 GLN 38 10.851 8.250 2.191
272 HE22 GLN 38 2HE2 GLN 38 12.471 8.546 1.670
273 H LYS 39 H LYS 39 11.239 11.622 -1.064
274 HA LYS 39 HA LYS 39 11.859 8.971 -2.100
275 HB2 LYS 39 1HB LYS 39 11.816 11.000 -3.577
276 HB3 LYS 39 2HB LYS 39 13.223 11.597 -2.708
277 HG2 LYS 39 1HG LYS 39 14.258 10.617 -4.475
278 HG3 LYS 39 2HG LYS 39 14.199 9.237 -3.377
279 HD2 LYS 39 1HD LYS 39 11.897 9.680 -5.209
280 HD3 LYS 39 2HD LYS 39 13.397 9.047 -5.891
281 HE2 LYS 39 1HE LYS 39 13.313 7.337 -3.983
282 HE3 LYS 39 2HE LYS 39 11.637 7.844 -3.777
283 HZ1 LYS 39 3HZ LYS 39 11.471 6.063 -5.212
284 HZ2 LYS 39 1HZ LYS 39 12.882 6.457 -6.058
285 HZ3 LYS 39 2HZ LYS 39 11.477 7.370 -6.287
286 H ASN 40 H ASN 40 13.504 11.580 -0.326
287 HA ASN 40 HA ASN 40 15.174 9.565 0.976
288 HB2 ASN 40 1HB ASN 40 17.152 11.183 0.667
289 HB3 ASN 40 2HB ASN 40 16.674 10.205 -0.718
290 HD21 ASN 40 1HD2 ASN 40 17.502 11.603 -2.226
291 HD22 ASN 40 2HD2 ASN 40 16.808 13.151 -2.553
292 H SER 41 H SER 41 15.455 9.944 3.091
293 HA SER 41 HA SER 41 15.233 12.639 4.156
294 HB2 SER 41 1HB SER 41 12.895 11.605 4.051
295 HB3 SER 41 2HB SER 41 13.452 10.483 5.292
296 HG SER 41 HG SER 41 12.489 12.876 5.669
297 H GLY 42 H GLY 42 16.914 12.851 5.468
298 HA2 GLY 42 1HA GLY 42 18.313 12.428 7.262
299 HA3 GLY 42 2HA GLY 42 17.410 10.952 7.571
300 HA PRO 43 HA PRO 43 21.653 10.149 5.578
301 HB2 PRO 43 1HB PRO 43 22.934 9.201 7.776
302 HB3 PRO 43 2HB PRO 43 22.950 10.908 7.316
303 HG2 PRO 43 1HG PRO 43 21.264 9.511 9.358
304 HG3 PRO 43 2HG PRO 43 22.090 11.076 9.470
305 HD2 PRO 43 1HD PRO 43 19.441 10.862 8.954
306 HD3 PRO 43 2HD PRO 43 20.439 12.175 8.297
307 H SER 44 H SER 44 19.273 8.539 7.416
308 HA SER 44 HA SER 44 20.379 5.887 7.050
309 HB2 SER 44 1HB SER 44 17.618 6.642 8.027
310 HB3 SER 44 2HB SER 44 18.436 5.094 8.239
311 HG SER 44 HG SER 44 18.883 6.056 10.100
312 H SER 45 H SER 45 20.293 4.959 5.121
313 HA SER 45 HA SER 45 17.766 4.956 3.659
314 HB2 SER 45 1HB SER 45 19.321 6.825 2.811
315 HB3 SER 45 2HB SER 45 20.326 5.523 2.174
316 HG SER 45 HG SER 45 18.952 5.272 0.612
317 H GLY 46 H GLY 46 17.295 2.880 3.402
318 HA2 GLY 46 1HA GLY 46 19.331 1.086 2.318
319 HA3 GLY 46 2HA GLY 46 18.621 0.642 3.863
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -14.630 -32.974 9.438
2 HA2 GLY 1 1HA GLY 1 -13.164 -30.437 9.053
3 HA3 GLY 1 2HA GLY 1 -12.503 -32.021 8.673
4 H SER 2 H SER 2 -13.875 -29.305 7.380
5 HA SER 2 HA SER 2 -13.999 -30.403 4.767
6 HB2 SER 2 1HB SER 2 -16.397 -30.081 4.331
7 HB3 SER 2 2HB SER 2 -16.142 -31.288 5.592
8 HG SER 2 HG SER 2 -16.524 -28.598 6.302
9 H SER 3 H SER 3 -13.461 -28.824 3.415
10 HA SER 3 HA SER 3 -14.151 -26.054 4.141
11 HB2 SER 3 1HB SER 3 -12.006 -25.274 3.526
12 HB3 SER 3 2HB SER 3 -11.695 -26.725 4.480
13 HG SER 3 HG SER 3 -11.215 -27.834 2.651
14 H GLY 4 H GLY 4 -13.686 -24.582 2.116
15 HA2 GLY 4 1HA GLY 4 -14.326 -25.894 -0.401
16 HA3 GLY 4 2HA GLY 4 -15.571 -24.835 0.245
17 H SER 5 H SER 5 -15.490 -22.750 -0.283
18 HA SER 5 HA SER 5 -12.922 -21.626 -1.175
19 HB2 SER 5 1HB SER 5 -14.585 -22.299 -3.058
20 HB3 SER 5 2HB SER 5 -15.494 -20.879 -2.542
21 HG SER 5 HG SER 5 -13.740 -19.598 -3.036
22 H SER 6 H SER 6 -12.413 -19.912 -0.003
23 HA SER 6 HA SER 6 -13.828 -18.759 2.002
24 HB2 SER 6 1HB SER 6 -12.418 -16.709 1.654
25 HB3 SER 6 2HB SER 6 -11.502 -18.215 1.688
26 HG SER 6 HG SER 6 -10.766 -17.106 -0.060
27 H GLY 7 H GLY 7 -13.575 -17.284 -1.244
28 HA2 GLY 7 1HA GLY 7 -16.367 -16.435 -1.029
29 HA3 GLY 7 2HA GLY 7 -15.153 -15.175 -1.202
30 H SER 8 H SER 8 -17.075 -15.283 -3.071
31 HA SER 8 HA SER 8 -15.625 -16.293 -5.420
32 HB2 SER 8 1HB SER 8 -17.858 -16.834 -6.449
33 HB3 SER 8 2HB SER 8 -17.414 -17.865 -5.089
34 HG SER 8 HG SER 8 -19.092 -15.582 -4.906
35 H ARG 9 H ARG 9 -15.618 -14.974 -7.190
36 HA ARG 9 HA ARG 9 -15.901 -13.109 -8.468
37 HB2 ARG 9 1HB ARG 9 -18.357 -13.589 -8.003
38 HB3 ARG 9 2HB ARG 9 -18.252 -12.387 -6.724
39 HG2 ARG 9 1HG ARG 9 -17.786 -10.652 -8.276
40 HG3 ARG 9 2HG ARG 9 -17.560 -11.807 -9.590
41 HD2 ARG 9 1HD ARG 9 -19.708 -10.878 -9.903
42 HD3 ARG 9 2HD ARG 9 -19.967 -12.488 -9.233
43 HE ARG 9 HE ARG 9 -19.965 -10.923 -7.038
44 HH11 ARG 9 1HH1 ARG 9 -21.663 -10.745 -10.072
45 HH12 ARG 9 2HH1 ARG 9 -23.053 -9.962 -9.397
46 HH21 ARG 9 1HH2 ARG 9 -21.790 -9.893 -6.138
47 HH22 ARG 9 2HH2 ARG 9 -23.124 -9.477 -7.159
48 H GLU 10 H GLU 10 -14.074 -13.040 -6.403
49 HA GLU 10 HA GLU 10 -14.135 -10.190 -5.707
50 HB2 GLU 10 1HB GLU 10 -12.895 -11.075 -3.527
51 HB3 GLU 10 2HB GLU 10 -14.643 -10.906 -3.601
52 HG2 GLU 10 1HG GLU 10 -14.668 -13.348 -4.346
53 HG3 GLU 10 2HG GLU 10 -12.996 -13.400 -3.789
54 H LYS 11 H LYS 11 -12.069 -9.227 -5.418
55 HA LYS 11 HA LYS 11 -9.753 -10.839 -6.199
56 HB2 LYS 11 1HB LYS 11 -10.924 -8.563 -7.715
57 HB3 LYS 11 2HB LYS 11 -9.170 -8.648 -7.615
58 HG2 LYS 11 1HG LYS 11 -10.839 -10.975 -8.515
59 HG3 LYS 11 2HG LYS 11 -10.263 -9.731 -9.627
60 HD2 LYS 11 1HD LYS 11 -7.937 -10.222 -8.673
61 HD3 LYS 11 2HD LYS 11 -8.662 -11.683 -7.998
62 HE2 LYS 11 1HE LYS 11 -9.237 -12.488 -10.168
63 HE3 LYS 11 2HE LYS 11 -8.804 -10.952 -10.916
64 HZ1 LYS 11 3HZ LYS 11 -6.499 -11.535 -9.809
65 HZ2 LYS 11 1HZ LYS 11 -6.924 -12.117 -11.339
66 HZ3 LYS 11 2HZ LYS 11 -7.079 -13.115 -9.982
67 H SER 12 H SER 12 -7.778 -10.077 -5.446
68 HA SER 12 HA SER 12 -7.960 -7.858 -3.515
69 HB2 SER 12 1HB SER 12 -6.102 -10.246 -3.424
70 HB3 SER 12 2HB SER 12 -6.220 -8.972 -2.211
71 HG SER 12 HG SER 12 -7.717 -10.150 -1.347
72 H HIS 13 H HIS 13 -5.587 -7.061 -2.999
73 HA HIS 13 HA HIS 13 -4.087 -6.775 -5.508
74 HB2 HIS 13 1HB HIS 13 -5.156 -4.579 -3.754
75 HB3 HIS 13 2HB HIS 13 -3.725 -4.323 -4.749
76 HD1 HIS 13 HD1 HIS 13 -4.199 -4.995 -7.417
77 HD2 HIS 13 HD2 HIS 13 -7.442 -3.948 -5.040
78 HE1 HIS 13 HE1 HIS 13 -6.028 -4.355 -9.020
79 H GLN 14 H GLN 14 -1.863 -6.242 -5.252
80 HA GLN 14 HA GLN 14 -0.806 -6.483 -2.525
81 HB2 GLN 14 1HB GLN 14 -0.783 -8.683 -3.866
82 HB3 GLN 14 2HB GLN 14 0.480 -7.927 -4.828
83 HG2 GLN 14 1HG GLN 14 1.881 -7.690 -2.882
84 HG3 GLN 14 2HG GLN 14 0.598 -8.315 -1.847
85 HE21 GLN 14 1HE2 GLN 14 -0.303 -10.492 -2.916
86 HE22 GLN 14 2HE2 GLN 14 0.933 -11.664 -3.203
87 H CYS 15 H CYS 15 0.553 -4.887 -2.086
88 HA CYS 15 HA CYS 15 1.527 -3.183 -4.209
89 HB2 CYS 15 1HB CYS 15 0.675 -2.192 -2.133
90 HB3 CYS 15 2HB CYS 15 1.925 -3.025 -1.213
91 H ARG 16 H ARG 16 3.312 -3.686 -5.284
92 HA ARG 16 HA ARG 16 5.253 -5.528 -4.303
93 HB2 ARG 16 1HB ARG 16 4.793 -5.358 -6.686
94 HB3 ARG 16 2HB ARG 16 5.310 -3.677 -6.692
95 HG2 ARG 16 1HG ARG 16 7.554 -4.682 -5.794
96 HG3 ARG 16 2HG ARG 16 6.938 -6.162 -6.530
97 HD2 ARG 16 1HD ARG 16 8.214 -5.156 -8.215
98 HD3 ARG 16 2HD ARG 16 6.547 -4.750 -8.621
99 HE ARG 16 HE ARG 16 7.701 -2.717 -7.027
100 HH11 ARG 16 1HH1 ARG 16 7.741 -4.028 -10.252
101 HH12 ARG 16 2HH1 ARG 16 8.187 -2.529 -10.996
102 HH21 ARG 16 1HH2 ARG 16 8.288 -0.737 -7.996
103 HH22 ARG 16 2HH2 ARG 16 8.498 -0.657 -9.712
104 H GLU 17 H GLU 17 5.162 -2.012 -4.701
105 HA GLU 17 HA GLU 17 7.660 -1.167 -4.280
106 HB2 GLU 17 1HB GLU 17 5.196 -0.176 -2.840
107 HB3 GLU 17 2HB GLU 17 6.731 0.679 -2.854
108 HG2 GLU 17 1HG GLU 17 4.954 0.086 -5.204
109 HG3 GLU 17 2HG GLU 17 5.305 1.660 -4.491
110 H CYS 18 H CYS 18 5.534 -2.271 -1.648
111 HA CYS 18 HA CYS 18 7.934 -2.609 0.029
112 HB2 CYS 18 1HB CYS 18 6.280 -2.501 1.958
113 HB3 CYS 18 2HB CYS 18 6.547 -0.998 1.081
114 H GLY 19 H GLY 19 4.758 -3.999 -0.751
115 HA2 GLY 19 1HA GLY 19 4.642 -6.370 -1.278
116 HA3 GLY 19 2HA GLY 19 5.870 -6.642 -0.051
117 H GLU 20 H GLU 20 2.590 -5.286 -0.374
118 HA GLU 20 HA GLU 20 1.793 -6.833 1.977
119 HB2 GLU 20 1HB GLU 20 2.449 -4.434 2.599
120 HB3 GLU 20 2HB GLU 20 1.010 -3.937 1.721
121 HG2 GLU 20 1HG GLU 20 0.175 -4.062 3.834
122 HG3 GLU 20 2HG GLU 20 -0.160 -5.698 3.270
123 H ILE 21 H ILE 21 -0.458 -7.238 2.119
124 HA ILE 21 HA ILE 21 -1.889 -6.801 -0.419
125 HB ILE 21 HB ILE 21 -2.180 -9.068 1.555
126 HG12 ILE 21 1HG1 ILE 21 -1.325 -9.206 -1.335
127 HG13 ILE 21 2HG1 ILE 21 -0.170 -9.019 -0.020
128 HG21 ILE 21 1HG2 ILE 21 -4.298 -8.248 0.412
129 HG22 ILE 21 2HG2 ILE 21 -3.577 -8.817 -1.092
130 HG23 ILE 21 3HG2 ILE 21 -3.899 -9.954 0.216
131 HD11 ILE 21 3HD1 ILE 21 -2.102 -11.305 -0.328
132 HD12 ILE 21 1HD1 ILE 21 -0.390 -11.342 -0.745
133 HD13 ILE 21 2HD1 ILE 21 -0.883 -11.126 0.934
134 H PHE 22 H PHE 22 -3.515 -5.416 -0.295
135 HA PHE 22 HA PHE 22 -4.796 -4.952 2.305
136 HB2 PHE 22 1HB PHE 22 -4.966 -3.254 -0.191
137 HB3 PHE 22 2HB PHE 22 -5.529 -2.823 1.421
138 HD1 PHE 22 HD1 PHE 22 -2.422 -3.814 -0.379
139 HD2 PHE 22 HD2 PHE 22 -4.167 -1.558 2.780
140 HE1 PHE 22 HE1 PHE 22 -0.229 -2.810 0.111
141 HE2 PHE 22 HE2 PHE 22 -1.978 -0.550 3.275
142 HZ PHE 22 HZ PHE 22 -0.005 -1.175 1.939
143 H PHE 23 H PHE 23 -6.924 -5.315 2.634
144 HA PHE 23 HA PHE 23 -8.316 -7.005 0.816
145 HB2 PHE 23 1HB PHE 23 -9.454 -5.556 3.212
146 HB3 PHE 23 2HB PHE 23 -10.099 -7.001 2.441
147 HD1 PHE 23 HD2 PHE 23 -8.378 -9.018 2.335
148 HD2 PHE 23 HD1 PHE 23 -8.230 -5.812 5.131
149 HE1 PHE 23 HE2 PHE 23 -7.064 -10.422 3.870
150 HE2 PHE 23 HE1 PHE 23 -6.915 -7.211 6.670
151 HZ PHE 23 HZ PHE 23 -6.331 -9.519 6.041
152 H GLN 24 H GLN 24 -8.869 -3.664 1.911
153 HA GLN 24 HA GLN 24 -10.835 -3.299 -0.220
154 HB2 GLN 24 1HB GLN 24 -10.088 -1.699 2.213
155 HB3 GLN 24 2HB GLN 24 -11.067 -1.002 0.930
156 HG2 GLN 24 1HG GLN 24 -12.542 -3.111 1.268
157 HG3 GLN 24 2HG GLN 24 -11.727 -3.205 2.829
158 HE21 GLN 24 1HE2 GLN 24 -13.829 -2.879 3.751
159 HE22 GLN 24 2HE2 GLN 24 -14.480 -1.284 3.875
160 H TYR 25 H TYR 25 -10.666 -1.677 -1.786
161 HA TYR 25 HA TYR 25 -8.031 -1.204 -2.746
162 HB2 TYR 25 1HB TYR 25 -10.234 -1.429 -4.083
163 HB3 TYR 25 2HB TYR 25 -10.466 0.276 -3.711
164 HD1 TYR 25 HD1 TYR 25 -8.293 -2.140 -5.463
165 HD2 TYR 25 HD2 TYR 25 -9.223 1.966 -4.844
166 HE1 TYR 25 HE1 TYR 25 -6.873 -1.536 -7.378
167 HE2 TYR 25 HE2 TYR 25 -7.806 2.581 -6.758
168 HH TYR 25 HH TYR 25 -5.555 0.629 -8.081
169 H VAL 26 H VAL 26 -10.569 1.050 -1.641
170 HA VAL 26 HA VAL 26 -9.268 3.426 -1.740
171 HB VAL 26 HB VAL 26 -10.887 2.614 0.672
172 HG11 VAL 26 1HG1 VAL 26 -10.916 5.286 -0.672
173 HG12 VAL 26 2HG1 VAL 26 -11.317 4.866 0.995
174 HG13 VAL 26 3HG1 VAL 26 -9.634 4.875 0.466
175 HG21 VAL 26 3HG2 VAL 26 -12.763 3.669 -0.837
176 HG22 VAL 26 1HG2 VAL 26 -11.711 3.127 -2.145
177 HG23 VAL 26 2HG2 VAL 26 -12.342 1.962 -0.980
178 H SER 27 H SER 27 -8.609 0.793 0.431
179 HA SER 27 HA SER 27 -7.041 2.298 2.289
180 HB2 SER 27 1HB SER 27 -8.204 -0.012 2.610
181 HB3 SER 27 2HB SER 27 -6.736 -0.663 1.880
182 HG SER 27 HG SER 27 -6.376 -0.617 4.053
183 H LEU 28 H LEU 28 -6.216 -0.003 -0.302
184 HA LEU 28 HA LEU 28 -3.434 0.264 -0.102
185 HB2 LEU 28 1HB LEU 28 -4.170 -1.572 -1.319
186 HB3 LEU 28 2HB LEU 28 -5.291 -0.608 -2.278
187 HG LEU 28 HG LEU 28 -3.355 0.378 -3.470
188 HD11 LEU 28 1HD1 LEU 28 -1.294 -1.361 -3.082
189 HD12 LEU 28 2HD1 LEU 28 -1.906 -1.153 -1.441
190 HD13 LEU 28 3HD1 LEU 28 -1.405 0.253 -2.380
191 HD21 LEU 28 3HD2 LEU 28 -4.237 -1.278 -4.758
192 HD22 LEU 28 1HD2 LEU 28 -4.031 -2.511 -3.514
193 HD23 LEU 28 2HD2 LEU 28 -2.644 -1.978 -4.465
194 H ILE 29 H ILE 29 -5.584 1.701 -2.563
195 HA ILE 29 HA ILE 29 -3.845 3.312 -3.885
196 HB ILE 29 HB ILE 29 -6.334 3.084 -4.294
197 HG12 ILE 29 1HG1 ILE 29 -5.318 5.928 -4.360
198 HG13 ILE 29 2HG1 ILE 29 -4.766 4.681 -5.473
199 HG21 ILE 29 1HG2 ILE 29 -7.881 4.412 -3.179
200 HG22 ILE 29 2HG2 ILE 29 -6.821 3.859 -1.884
201 HG23 ILE 29 3HG2 ILE 29 -6.640 5.487 -2.536
202 HD11 ILE 29 3HD1 ILE 29 -7.645 4.814 -5.393
203 HD12 ILE 29 1HD1 ILE 29 -6.932 6.376 -5.799
204 HD13 ILE 29 2HD1 ILE 29 -6.544 4.951 -6.764
205 H GLU 30 H GLU 30 -5.307 3.946 -0.736
206 HA GLU 30 HA GLU 30 -4.271 6.590 -0.489
207 HB2 GLU 30 1HB GLU 30 -5.649 4.651 1.296
208 HB3 GLU 30 2HB GLU 30 -4.731 5.941 2.062
209 HG2 GLU 30 1HG GLU 30 -7.232 6.299 1.590
210 HG3 GLU 30 2HG GLU 30 -6.100 7.598 1.222
211 H HIS 31 H HIS 31 -3.130 3.394 0.394
212 HA HIS 31 HA HIS 31 -0.998 4.236 2.062
213 HB2 HIS 31 1HB HIS 31 -1.500 2.009 2.397
214 HB3 HIS 31 2HB HIS 31 -1.746 1.696 0.681
215 HD1 HIS 31 HD1 HIS 31 1.029 2.141 3.204
216 HD2 HIS 31 HD2 HIS 31 0.441 0.701 -0.649
217 HE1 HIS 31 HE1 HIS 31 3.188 1.019 2.568
218 H GLN 32 H GLN 32 -0.996 3.052 -1.304
219 HA GLN 32 HA GLN 32 1.634 3.330 -1.944
220 HB2 GLN 32 1HB GLN 32 0.853 3.891 -4.276
221 HB3 GLN 32 2HB GLN 32 0.145 2.443 -3.572
222 HG2 GLN 32 1HG GLN 32 -1.866 3.737 -2.994
223 HG3 GLN 32 2HG GLN 32 -1.157 5.148 -3.776
224 HE21 GLN 32 1HE2 GLN 32 -1.773 5.483 -5.780
225 HE22 GLN 32 2HE2 GLN 32 -2.345 4.287 -6.887
226 H VAL 33 H VAL 33 -0.794 5.905 -1.868
227 HA VAL 33 HA VAL 33 0.542 8.014 -2.961
228 HB VAL 33 HB VAL 33 -1.206 8.003 -0.502
229 HG11 VAL 33 1HG1 VAL 33 -0.563 10.103 -0.139
230 HG12 VAL 33 2HG1 VAL 33 0.383 10.140 -1.628
231 HG13 VAL 33 3HG1 VAL 33 -1.338 10.524 -1.665
232 HG21 VAL 33 3HG2 VAL 33 -2.625 9.212 -2.454
233 HG22 VAL 33 1HG2 VAL 33 -1.660 8.086 -3.410
234 HG23 VAL 33 2HG2 VAL 33 -2.695 7.482 -2.116
235 H LEU 34 H LEU 34 1.065 6.581 0.208
236 HA LEU 34 HA LEU 34 2.715 8.558 1.308
237 HB2 LEU 34 1HB LEU 34 2.732 5.577 1.751
238 HB3 LEU 34 2HB LEU 34 3.572 6.751 2.762
239 HG LEU 34 HG LEU 34 0.584 6.751 2.380
240 HD11 LEU 34 1HD1 LEU 34 1.599 4.621 3.405
241 HD12 LEU 34 2HD1 LEU 34 0.305 5.440 4.279
242 HD13 LEU 34 3HD1 LEU 34 1.980 5.646 4.789
243 HD21 LEU 34 3HD2 LEU 34 0.818 7.948 4.643
244 HD22 LEU 34 1HD2 LEU 34 1.237 8.840 3.180
245 HD23 LEU 34 2HD2 LEU 34 2.511 8.162 4.194
246 H HIS 35 H HIS 35 3.623 5.555 -0.385
247 HA HIS 35 HA HIS 35 6.300 5.597 -0.380
248 HB2 HIS 35 1HB HIS 35 4.437 5.063 -2.684
249 HB3 HIS 35 2HB HIS 35 6.179 4.861 -2.846
250 HD1 HIS 35 HD1 HIS 35 6.968 3.423 -0.358
251 HD2 HIS 35 HD2 HIS 35 3.439 2.576 -2.380
252 HE1 HIS 35 HE1 HIS 35 6.346 1.085 0.327
253 H MET 36 H MET 36 4.363 7.522 -2.672
254 HA MET 36 HA MET 36 6.291 8.802 -4.087
255 HB2 MET 36 1HB MET 36 3.734 9.947 -2.965
256 HB3 MET 36 2HB MET 36 4.736 10.792 -4.137
257 HG2 MET 36 1HG MET 36 4.458 8.521 -5.463
258 HG3 MET 36 2HG MET 36 2.997 8.419 -4.482
259 HE1 MET 36 3HE MET 36 1.727 11.834 -4.742
260 HE2 MET 36 1HE MET 36 0.618 10.724 -5.548
261 HE3 MET 36 2HE MET 36 1.498 10.202 -4.112
262 H GLY 37 H GLY 37 8.054 9.900 -3.549
263 HA2 GLY 37 1HA GLY 37 7.943 11.892 -1.435
264 HA3 GLY 37 2HA GLY 37 9.037 10.547 -1.148
265 H GLN 38 H GLN 38 11.046 11.240 -1.458
266 HA GLN 38 HA GLN 38 11.602 12.816 -3.884
267 HB2 GLN 38 1HB GLN 38 11.831 14.026 -1.645
268 HB3 GLN 38 2HB GLN 38 13.217 12.985 -1.346
269 HG2 GLN 38 1HG GLN 38 13.718 15.271 -2.267
270 HG3 GLN 38 2HG GLN 38 14.431 13.911 -3.132
271 HE21 GLN 38 1HE2 GLN 38 14.631 14.904 -5.085
272 HE22 GLN 38 2HE2 GLN 38 13.286 15.395 -6.051
273 H LYS 39 H LYS 39 12.818 11.771 -5.300
274 HA LYS 39 HA LYS 39 14.235 9.370 -4.537
275 HB2 LYS 39 1HB LYS 39 13.673 10.753 -7.144
276 HB3 LYS 39 2HB LYS 39 14.859 9.457 -7.057
277 HG2 LYS 39 1HG LYS 39 12.045 9.118 -6.070
278 HG3 LYS 39 2HG LYS 39 12.505 8.824 -7.749
279 HD2 LYS 39 1HD LYS 39 14.069 7.531 -5.560
280 HD3 LYS 39 2HD LYS 39 12.494 6.867 -6.002
281 HE2 LYS 39 1HE LYS 39 14.455 7.471 -8.162
282 HE3 LYS 39 2HE LYS 39 14.707 6.037 -7.167
283 HZ1 LYS 39 3HZ LYS 39 12.285 5.517 -7.719
284 HZ2 LYS 39 1HZ LYS 39 13.434 5.288 -8.940
285 HZ3 LYS 39 2HZ LYS 39 12.444 6.659 -8.958
286 H ASN 40 H ASN 40 15.312 11.581 -3.258
287 HA ASN 40 HA ASN 40 17.932 11.813 -4.586
288 HB2 ASN 40 1HB ASN 40 16.357 13.929 -4.331
289 HB3 ASN 40 2HB ASN 40 17.014 13.937 -2.697
290 HD21 ASN 40 1HD2 ASN 40 19.337 14.028 -2.470
291 HD22 ASN 40 2HD2 ASN 40 20.274 14.843 -3.671
292 H SER 41 H SER 41 16.275 12.018 -1.441
293 HA SER 41 HA SER 41 18.535 10.578 -0.244
294 HB2 SER 41 1HB SER 41 18.459 12.055 1.732
295 HB3 SER 41 2HB SER 41 18.872 12.951 0.271
296 HG SER 41 HG SER 41 17.222 14.159 0.700
297 H GLY 42 H GLY 42 18.012 9.201 1.441
298 HA2 GLY 42 1HA GLY 42 16.053 8.907 3.148
299 HA3 GLY 42 2HA GLY 42 15.149 8.607 1.670
300 HA PRO 43 HA PRO 43 18.363 5.008 2.319
301 HB2 PRO 43 1HB PRO 43 19.156 4.675 4.894
302 HB3 PRO 43 2HB PRO 43 20.044 5.673 3.737
303 HG2 PRO 43 1HG PRO 43 18.104 6.506 5.859
304 HG3 PRO 43 2HG PRO 43 19.654 7.242 5.408
305 HD2 PRO 43 1HD PRO 43 17.274 8.241 4.590
306 HD3 PRO 43 2HD PRO 43 18.746 8.351 3.603
307 H SER 44 H SER 44 17.742 2.911 2.782
308 HA SER 44 HA SER 44 16.322 1.221 3.334
309 HB2 SER 44 1HB SER 44 17.189 2.016 5.646
310 HB3 SER 44 2HB SER 44 15.585 2.726 5.834
311 HG SER 44 HG SER 44 15.566 0.651 6.679
312 H SER 45 H SER 45 15.283 3.250 1.683
313 HA SER 45 HA SER 45 13.340 4.256 0.978
314 HB2 SER 45 1HB SER 45 11.572 2.681 0.615
315 HB3 SER 45 2HB SER 45 13.087 1.785 0.498
316 HG SER 45 HG SER 45 12.566 1.530 2.949
317 H GLY 46 H GLY 46 13.969 5.143 3.537
318 HA2 GLY 46 1HA GLY 46 12.899 6.501 5.083
319 HA3 GLY 46 2HA GLY 46 11.356 5.959 4.442