Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505099 | 2eon RC | 10220 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -1.825 -0.684 -15.333
2 HA2 GLY 1 1HA GLY 1 -3.348 -0.950 -13.008
3 HA3 GLY 1 2HA GLY 1 -3.693 0.639 -13.676
4 H SER 2 H SER 2 -4.246 -2.734 -13.925
5 HA SER 2 HA SER 2 -6.267 -2.246 -15.968
6 HB2 SER 2 1HB SER 2 -4.120 -2.976 -17.110
7 HB3 SER 2 2HB SER 2 -4.306 -4.524 -16.286
8 HG SER 2 HG SER 2 -6.400 -4.654 -17.309
9 H SER 3 H SER 3 -8.042 -3.539 -15.785
10 HA SER 3 HA SER 3 -7.960 -5.886 -14.067
11 HB2 SER 3 1HB SER 3 -8.442 -4.256 -12.400
12 HB3 SER 3 2HB SER 3 -9.591 -3.421 -13.446
13 HG SER 3 HG SER 3 -10.451 -4.892 -11.752
14 H GLY 4 H GLY 4 -9.639 -7.340 -14.430
15 HA2 GLY 4 1HA GLY 4 -11.742 -7.974 -15.363
16 HA3 GLY 4 2HA GLY 4 -11.643 -6.593 -16.445
17 H SER 5 H SER 5 -9.473 -6.748 -17.830
18 HA SER 5 HA SER 5 -9.781 -9.188 -19.358
19 HB2 SER 5 1HB SER 5 -8.202 -8.063 -20.947
20 HB3 SER 5 2HB SER 5 -9.654 -7.123 -20.604
21 HG SER 5 HG SER 5 -7.151 -6.766 -19.313
22 H SER 6 H SER 6 -7.238 -7.543 -17.527
23 HA SER 6 HA SER 6 -5.357 -9.696 -18.000
24 HB2 SER 6 1HB SER 6 -3.835 -8.344 -16.573
25 HB3 SER 6 2HB SER 6 -4.495 -7.422 -17.924
26 HG SER 6 HG SER 6 -4.655 -6.877 -15.332
27 H GLY 7 H GLY 7 -5.238 -11.467 -16.797
28 HA2 GLY 7 1HA GLY 7 -5.221 -12.817 -14.921
29 HA3 GLY 7 2HA GLY 7 -5.517 -11.389 -13.941
30 H THR 8 H THR 8 -6.900 -14.131 -15.473
31 HA THR 8 HA THR 8 -9.624 -13.369 -15.398
32 HB THR 8 HB THR 8 -8.989 -15.233 -16.773
33 HG1 THR 8 HG1 THR 8 -10.946 -15.869 -16.275
34 HG21 THR 8 3HG2 THR 8 -7.930 -16.375 -14.207
35 HG22 THR 8 1HG2 THR 8 -7.109 -16.182 -15.755
36 HG23 THR 8 2HG2 THR 8 -8.353 -17.418 -15.564
37 H GLY 9 H GLY 9 -7.431 -14.113 -12.927
38 HA2 GLY 9 1HA GLY 9 -9.574 -14.922 -11.081
39 HA3 GLY 9 2HA GLY 9 -7.850 -15.111 -10.791
40 H GLU 10 H GLU 10 -10.586 -13.178 -10.274
41 HA GLU 10 HA GLU 10 -9.334 -10.673 -9.832
42 HB2 GLU 10 1HB GLU 10 -11.434 -10.159 -8.539
43 HB3 GLU 10 2HB GLU 10 -11.686 -10.687 -10.197
44 HG2 GLU 10 1HG GLU 10 -11.740 -12.741 -8.057
45 HG3 GLU 10 2HG GLU 10 -13.110 -11.640 -8.193
46 H LYS 11 H LYS 11 -8.126 -9.994 -8.194
47 HA LYS 11 HA LYS 11 -7.448 -11.733 -6.040
48 HB2 LYS 11 1HB LYS 11 -6.809 -8.817 -6.516
49 HB3 LYS 11 2HB LYS 11 -6.113 -9.788 -5.226
50 HG2 LYS 11 1HG LYS 11 -4.764 -10.958 -6.641
51 HG3 LYS 11 2HG LYS 11 -5.866 -10.789 -8.009
52 HD2 LYS 11 1HD LYS 11 -5.209 -8.509 -8.339
53 HD3 LYS 11 2HD LYS 11 -4.267 -8.513 -6.846
54 HE2 LYS 11 1HE LYS 11 -2.697 -8.754 -8.584
55 HE3 LYS 11 2HE LYS 11 -2.886 -10.365 -7.893
56 HZ1 LYS 11 3HZ LYS 11 -4.603 -10.695 -9.733
57 HZ2 LYS 11 1HZ LYS 11 -2.969 -10.707 -10.174
58 HZ3 LYS 11 2HZ LYS 11 -3.913 -9.334 -10.462
59 HA PRO 12 HA PRO 12 -10.402 -10.623 -2.986
60 HB2 PRO 12 1HB PRO 12 -8.926 -10.900 -0.724
61 HB3 PRO 12 2HB PRO 12 -9.487 -12.277 -1.680
62 HG2 PRO 12 1HG PRO 12 -6.801 -10.956 -1.657
63 HG3 PRO 12 2HG PRO 12 -7.198 -12.684 -1.688
64 HD2 PRO 12 1HD PRO 12 -6.469 -11.317 -3.909
65 HD3 PRO 12 2HD PRO 12 -7.608 -12.678 -3.956
66 H TYR 13 H TYR 13 -7.276 -8.998 -2.919
67 HA TYR 13 HA TYR 13 -8.492 -6.731 -1.498
68 HB2 TYR 13 1HB TYR 13 -5.555 -6.922 -2.037
69 HB3 TYR 13 2HB TYR 13 -6.396 -6.155 -0.694
70 HD1 TYR 13 HD2 TYR 13 -8.162 -8.452 0.112
71 HD2 TYR 13 HD1 TYR 13 -4.031 -8.307 -0.897
72 HE1 TYR 13 HE2 TYR 13 -7.759 -10.439 1.504
73 HE2 TYR 13 HE1 TYR 13 -3.616 -10.294 0.492
74 HH TYR 13 HH TYR 13 -6.251 -11.861 2.291
75 H LYS 14 H LYS 14 -8.520 -4.700 -2.368
76 HA LYS 14 HA LYS 14 -7.177 -4.131 -4.864
77 HB2 LYS 14 1HB LYS 14 -9.132 -5.191 -5.759
78 HB3 LYS 14 2HB LYS 14 -10.186 -4.284 -4.682
79 HG2 LYS 14 1HG LYS 14 -9.095 -2.226 -5.929
80 HG3 LYS 14 2HG LYS 14 -8.848 -3.437 -7.189
81 HD2 LYS 14 1HD LYS 14 -11.347 -4.000 -6.795
82 HD3 LYS 14 2HD LYS 14 -11.411 -2.414 -6.022
83 HE2 LYS 14 1HE LYS 14 -10.998 -1.291 -7.987
84 HE3 LYS 14 2HE LYS 14 -10.164 -2.661 -8.719
85 HZ1 LYS 14 3HZ LYS 14 -12.556 -3.707 -8.521
86 HZ2 LYS 14 1HZ LYS 14 -12.117 -2.748 -9.844
87 HZ3 LYS 14 2HZ LYS 14 -13.026 -2.083 -8.582
88 H CYS 15 H CYS 15 -6.661 -2.026 -5.009
89 HA CYS 15 HA CYS 15 -6.976 -0.294 -2.850
90 HB2 CYS 15 1HB CYS 15 -5.371 -0.258 -4.963
91 HB3 CYS 15 2HB CYS 15 -6.594 0.847 -5.581
92 H GLN 16 H GLN 16 -7.877 2.061 -3.309
93 HA GLN 16 HA GLN 16 -10.589 1.806 -4.423
94 HB2 GLN 16 1HB GLN 16 -9.916 3.349 -1.917
95 HB3 GLN 16 2HB GLN 16 -11.514 3.041 -2.582
96 HG2 GLN 16 1HG GLN 16 -9.673 0.886 -1.579
97 HG3 GLN 16 2HG GLN 16 -10.917 1.659 -0.599
98 HE21 GLN 16 1HE2 GLN 16 -10.659 -1.126 -1.353
99 HE22 GLN 16 2HE2 GLN 16 -12.102 -1.538 -2.208
100 H VAL 17 H VAL 17 -7.788 3.784 -3.808
101 HA VAL 17 HA VAL 17 -8.906 6.208 -4.849
102 HB VAL 17 HB VAL 17 -6.500 6.967 -4.907
103 HG11 VAL 17 1HG1 VAL 17 -6.272 6.849 -2.369
104 HG12 VAL 17 2HG1 VAL 17 -7.745 7.579 -3.013
105 HG13 VAL 17 3HG1 VAL 17 -7.775 5.927 -2.394
106 HG21 VAL 17 3HG2 VAL 17 -5.549 4.687 -5.210
107 HG22 VAL 17 1HG2 VAL 17 -4.809 5.597 -3.892
108 HG23 VAL 17 2HG2 VAL 17 -5.984 4.329 -3.539
109 H CYS 18 H CYS 18 -6.888 3.608 -6.126
110 HA CYS 18 HA CYS 18 -7.143 4.808 -8.805
111 HB2 CYS 18 1HB CYS 18 -5.094 3.666 -9.427
112 HB3 CYS 18 2HB CYS 18 -4.811 4.632 -7.982
113 H GLY 19 H GLY 19 -7.575 1.956 -6.849
114 HA2 GLY 19 1HA GLY 19 -9.202 0.305 -7.317
115 HA3 GLY 19 2HA GLY 19 -9.151 0.769 -9.011
116 H LYS 20 H LYS 20 -6.163 0.305 -7.345
117 HA LYS 20 HA LYS 20 -5.315 -1.705 -9.152
118 HB2 LYS 20 1HB LYS 20 -4.185 -0.414 -6.714
119 HB3 LYS 20 2HB LYS 20 -3.462 -1.921 -7.259
120 HG2 LYS 20 1HG LYS 20 -3.858 0.402 -9.113
121 HG3 LYS 20 2HG LYS 20 -2.430 0.254 -8.086
122 HD2 LYS 20 1HD LYS 20 -3.212 -2.092 -9.735
123 HD3 LYS 20 2HD LYS 20 -2.488 -0.708 -10.557
124 HE2 LYS 20 1HE LYS 20 -1.268 -2.052 -8.152
125 HE3 LYS 20 2HE LYS 20 -0.873 -2.484 -9.814
126 HZ1 LYS 20 3HZ LYS 20 0.649 -0.843 -8.680
127 HZ2 LYS 20 1HZ LYS 20 -0.608 0.284 -8.800
128 HZ3 LYS 20 2HZ LYS 20 0.064 -0.385 -10.201
129 H ALA 21 H ALA 21 -4.257 -3.782 -8.215
130 HA ALA 21 HA ALA 21 -5.807 -4.990 -6.069
131 HB1 ALA 21 3HB ALA 21 -6.582 -6.853 -7.365
132 HB2 ALA 21 1HB ALA 21 -7.116 -5.366 -8.149
133 HB3 ALA 21 2HB ALA 21 -5.743 -6.264 -8.800
134 H PHE 22 H PHE 22 -4.741 -6.620 -5.021
135 HA PHE 22 HA PHE 22 -2.307 -7.722 -6.183
136 HB2 PHE 22 1HB PHE 22 -2.184 -6.552 -3.414
137 HB3 PHE 22 2HB PHE 22 -0.855 -7.042 -4.459
138 HD1 PHE 22 HD2 PHE 22 -3.664 -4.598 -4.324
139 HD2 PHE 22 HD1 PHE 22 0.304 -5.428 -5.620
140 HE1 PHE 22 HE2 PHE 22 -3.442 -2.280 -5.117
141 HE2 PHE 22 HE1 PHE 22 0.533 -3.111 -6.415
142 HZ PHE 22 HZ PHE 22 -1.342 -1.534 -6.165
143 H ARG 23 H ARG 23 -2.755 -9.827 -6.073
144 HA ARG 23 HA ARG 23 -4.512 -11.182 -4.521
145 HB2 ARG 23 1HB ARG 23 -2.926 -13.167 -4.737
146 HB3 ARG 23 2HB ARG 23 -3.431 -12.390 -6.232
147 HG2 ARG 23 1HG ARG 23 -1.348 -11.423 -6.581
148 HG3 ARG 23 2HG ARG 23 -0.872 -11.612 -4.892
149 HD2 ARG 23 1HD ARG 23 0.320 -13.326 -5.804
150 HD3 ARG 23 2HD ARG 23 -1.189 -14.174 -5.472
151 HE ARG 23 HE ARG 23 -1.484 -13.196 -8.008
152 HH11 ARG 23 1HH1 ARG 23 0.826 -15.241 -6.395
153 HH12 ARG 23 2HH1 ARG 23 1.213 -16.148 -7.820
154 HH21 ARG 23 1HH2 ARG 23 -0.982 -14.382 -9.890
155 HH22 ARG 23 2HH2 ARG 23 0.185 -15.657 -9.807
156 H VAL 24 H VAL 24 -1.466 -9.867 -3.518
157 HA VAL 24 HA VAL 24 -1.744 -11.161 -0.888
158 HB VAL 24 HB VAL 24 0.565 -10.843 -0.509
159 HG11 VAL 24 1HG1 VAL 24 -0.315 -12.072 -2.981
160 HG12 VAL 24 2HG1 VAL 24 1.368 -11.550 -3.064
161 HG13 VAL 24 3HG1 VAL 24 0.847 -12.647 -1.786
162 HG21 VAL 24 3HG2 VAL 24 0.735 -9.199 -3.030
163 HG22 VAL 24 1HG2 VAL 24 0.634 -8.520 -1.406
164 HG23 VAL 24 2HG2 VAL 24 2.023 -9.504 -1.865
165 H SER 25 H SER 25 -1.102 -9.818 0.993
166 HA SER 25 HA SER 25 -2.375 -7.210 0.791
167 HB2 SER 25 1HB SER 25 -3.076 -8.614 2.635
168 HB3 SER 25 2HB SER 25 -1.408 -8.805 3.175
169 HG SER 25 HG SER 25 -1.388 -6.755 3.893
170 H SER 26 H SER 26 0.757 -8.607 1.619
171 HA SER 26 HA SER 26 2.080 -6.387 2.585
172 HB2 SER 26 1HB SER 26 4.161 -7.457 1.695
173 HB3 SER 26 2HB SER 26 3.134 -8.562 2.607
174 HG SER 26 HG SER 26 3.847 -8.608 -0.038
175 H HIS 27 H HIS 27 2.113 -7.497 -0.807
176 HA HIS 27 HA HIS 27 3.449 -5.338 -1.907
177 HB2 HIS 27 1HB HIS 27 1.419 -7.255 -3.012
178 HB3 HIS 27 2HB HIS 27 2.030 -5.937 -4.008
179 HD2 HIS 27 HD2 HIS 27 4.581 -7.714 -1.687
180 HE1 HIS 27 HE1 HIS 27 5.285 -9.010 -5.665
181 HE2 HIS 27 HE2 HIS 27 6.082 -9.095 -3.277
182 H LEU 28 H LEU 28 -0.089 -5.799 -1.789
183 HA LEU 28 HA LEU 28 -0.950 -3.460 -2.875
184 HB2 LEU 28 1HB LEU 28 -2.600 -4.981 -2.254
185 HB3 LEU 28 2HB LEU 28 -2.007 -5.091 -0.598
186 HG LEU 28 HG LEU 28 -2.906 -2.890 -0.103
187 HD11 LEU 28 1HD1 LEU 28 -3.456 -2.868 -3.036
188 HD12 LEU 28 2HD1 LEU 28 -2.775 -1.606 -2.009
189 HD13 LEU 28 3HD1 LEU 28 -4.501 -1.963 -1.941
190 HD21 LEU 28 3HD2 LEU 28 -4.969 -4.600 -1.486
191 HD22 LEU 28 1HD2 LEU 28 -5.256 -3.421 -0.206
192 HD23 LEU 28 2HD2 LEU 28 -4.341 -4.889 0.137
193 H VAL 29 H VAL 29 0.259 -3.937 0.407
194 HA VAL 29 HA VAL 29 -0.350 -1.393 1.426
195 HB VAL 29 HB VAL 29 1.910 -3.255 2.167
196 HG11 VAL 29 1HG1 VAL 29 0.826 -0.828 3.589
197 HG12 VAL 29 2HG1 VAL 29 1.930 -2.001 4.309
198 HG13 VAL 29 3HG1 VAL 29 2.446 -1.036 2.925
199 HG21 VAL 29 3HG2 VAL 29 -0.013 -3.217 4.176
200 HG22 VAL 29 1HG2 VAL 29 -0.935 -3.273 2.674
201 HG23 VAL 29 2HG2 VAL 29 0.275 -4.511 3.012
202 H GLN 30 H GLN 30 2.776 -2.603 0.196
203 HA GLN 30 HA GLN 30 4.196 -0.241 0.297
204 HB2 GLN 30 1HB GLN 30 4.402 -2.422 -1.786
205 HB3 GLN 30 2HB GLN 30 5.622 -1.193 -1.481
206 HG2 GLN 30 1HG GLN 30 4.771 -3.451 0.300
207 HG3 GLN 30 2HG GLN 30 6.362 -3.136 -0.390
208 HE21 GLN 30 1HE2 GLN 30 4.029 -2.128 2.008
209 HE22 GLN 30 2HE2 GLN 30 5.140 -1.262 3.007
210 H HIS 31 H HIS 31 1.694 -1.182 -1.900
211 HA HIS 31 HA HIS 31 2.313 0.841 -3.864
212 HB2 HIS 31 1HB HIS 31 1.261 -0.894 -4.932
213 HB3 HIS 31 2HB HIS 31 0.247 -1.277 -3.544
214 HD1 HIS 31 HD1 HIS 31 0.484 1.226 -6.372
215 HD2 HIS 31 HD2 HIS 31 -2.287 -0.251 -3.651
216 HE1 HIS 31 HE1 HIS 31 -1.728 2.198 -7.070
217 H HIS 32 H HIS 32 0.397 0.570 -0.997
218 HA HIS 32 HA HIS 32 -1.423 2.679 -1.504
219 HB2 HIS 32 1HB HIS 32 -0.505 1.214 0.938
220 HB3 HIS 32 2HB HIS 32 -1.440 2.695 1.131
221 HD2 HIS 32 HD2 HIS 32 -2.258 -0.805 1.295
222 HE1 HIS 32 HE1 HIS 32 -5.478 0.783 -0.965
223 HE2 HIS 32 HE2 HIS 32 -4.678 -1.143 0.447
224 H SER 33 H SER 33 1.854 2.780 -1.222
225 HA SER 33 HA SER 33 1.834 5.490 -0.066
226 HB2 SER 33 1HB SER 33 4.178 3.588 -0.297
227 HB3 SER 33 2HB SER 33 4.177 5.157 0.508
228 HG SER 33 HG SER 33 3.866 3.172 1.839
229 H VAL 34 H VAL 34 1.676 4.102 -2.944
230 HA VAL 34 HA VAL 34 3.793 5.498 -4.327
231 HB VAL 34 HB VAL 34 2.976 4.515 -6.330
232 HG11 VAL 34 1HG1 VAL 34 3.007 2.789 -3.912
233 HG12 VAL 34 2HG1 VAL 34 2.487 2.071 -5.438
234 HG13 VAL 34 3HG1 VAL 34 4.086 2.804 -5.307
235 HG21 VAL 34 3HG2 VAL 34 0.758 3.074 -5.992
236 HG22 VAL 34 1HG2 VAL 34 0.430 4.355 -4.824
237 HG23 VAL 34 2HG2 VAL 34 0.724 4.758 -6.515
238 H HIS 35 H HIS 35 0.363 5.916 -3.725
239 HA HIS 35 HA HIS 35 0.004 8.043 -5.599
240 HB2 HIS 35 1HB HIS 35 -1.720 7.514 -3.182
241 HB3 HIS 35 2HB HIS 35 -2.188 8.258 -4.708
242 HD1 HIS 35 HD1 HIS 35 -1.627 6.379 -6.822
243 HD2 HIS 35 HD2 HIS 35 -2.714 5.019 -3.050
244 HE1 HIS 35 HE1 HIS 35 -2.489 4.042 -7.172
245 H SER 36 H SER 36 0.551 7.876 -2.102
246 HA SER 36 HA SER 36 0.212 10.421 -1.272
247 HB2 SER 36 1HB SER 36 2.520 8.582 -0.609
248 HB3 SER 36 2HB SER 36 2.164 10.066 0.274
249 HG SER 36 HG SER 36 -0.084 8.919 0.311
250 H GLY 37 H GLY 37 3.134 9.220 -2.915
251 HA2 GLY 37 1HA GLY 37 4.260 11.881 -3.063
252 HA3 GLY 37 2HA GLY 37 4.960 10.410 -3.724
253 H GLU 38 H GLU 38 2.352 12.760 -4.250
254 HA GLU 38 HA GLU 38 1.401 12.119 -6.686
255 HB2 GLU 38 1HB GLU 38 0.678 14.111 -5.486
256 HB3 GLU 38 2HB GLU 38 2.227 14.885 -5.789
257 HG2 GLU 38 1HG GLU 38 1.733 15.352 -7.959
258 HG3 GLU 38 2HG GLU 38 0.659 13.966 -8.130
259 H ARG 39 H ARG 39 2.286 11.580 -8.557
260 HA ARG 39 HA ARG 39 4.986 12.542 -9.184
261 HB2 ARG 39 1HB ARG 39 3.385 10.182 -10.158
262 HB3 ARG 39 2HB ARG 39 4.866 10.702 -10.951
263 HG2 ARG 39 1HG ARG 39 4.920 10.211 -8.019
264 HG3 ARG 39 2HG ARG 39 4.887 8.829 -9.116
265 HD2 ARG 39 1HD ARG 39 6.928 9.398 -10.087
266 HD3 ARG 39 2HD ARG 39 6.842 11.063 -9.514
267 HE ARG 39 HE ARG 39 7.844 10.394 -7.576
268 HH11 ARG 39 1HH1 ARG 39 6.514 7.600 -9.171
269 HH12 ARG 39 2HH1 ARG 39 7.204 6.471 -8.052
270 HH21 ARG 39 1HH2 ARG 39 8.757 8.918 -6.096
271 HH22 ARG 39 2HH2 ARG 39 8.479 7.222 -6.303
272 HA PRO 40 HA PRO 40 3.585 15.141 -12.435
273 HB2 PRO 40 1HB PRO 40 5.689 14.986 -14.144
274 HB3 PRO 40 2HB PRO 40 5.757 15.870 -12.614
275 HG2 PRO 40 1HG PRO 40 6.762 13.125 -13.263
276 HG3 PRO 40 2HG PRO 40 7.541 14.408 -12.317
277 HD2 PRO 40 1HD PRO 40 6.268 12.316 -11.163
278 HD3 PRO 40 2HD PRO 40 6.316 13.929 -10.424
279 H SER 41 H SER 41 1.815 13.875 -13.178
280 HA SER 41 HA SER 41 2.146 12.904 -15.857
281 HB2 SER 41 1HB SER 41 1.380 10.960 -13.668
282 HB3 SER 41 2HB SER 41 1.193 10.640 -15.392
283 HG SER 41 HG SER 41 3.139 9.802 -14.917
284 H GLY 42 H GLY 42 -0.066 11.908 -16.607
285 HA2 GLY 42 1HA GLY 42 -2.409 12.003 -16.612
286 HA3 GLY 42 2HA GLY 42 -2.347 13.062 -15.211
287 HA PRO 43 HA PRO 43 -3.538 15.697 -18.788
288 HB2 PRO 43 1HB PRO 43 -5.299 17.199 -17.369
289 HB3 PRO 43 2HB PRO 43 -5.732 15.654 -18.110
290 HG2 PRO 43 1HG PRO 43 -5.003 16.254 -15.269
291 HG3 PRO 43 2HG PRO 43 -6.296 15.215 -15.896
292 HD2 PRO 43 1HD PRO 43 -3.945 14.227 -14.984
293 HD3 PRO 43 2HD PRO 43 -4.859 13.457 -16.297
294 H SER 44 H SER 44 -2.161 16.210 -15.690
295 HA SER 44 HA SER 44 -1.903 18.897 -15.378
296 HB2 SER 44 1HB SER 44 0.332 16.882 -15.032
297 HB3 SER 44 2HB SER 44 0.255 18.477 -14.284
298 HG SER 44 HG SER 44 -1.215 16.164 -13.717
299 H SER 45 H SER 45 -0.612 20.540 -16.154
300 HA SER 45 HA SER 45 0.168 20.349 -18.884
301 HB2 SER 45 1HB SER 45 -0.690 22.446 -18.029
302 HB3 SER 45 2HB SER 45 0.605 22.533 -16.835
303 HG SER 45 HG SER 45 2.045 22.509 -18.750
304 H GLY 46 H GLY 46 1.850 19.017 -19.309
305 HA2 GLY 46 1HA GLY 46 4.410 19.629 -19.357
306 HA3 GLY 46 2HA GLY 46 4.262 19.189 -17.662
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -2.283 -8.005 -33.494
2 HA2 GLY 1 1HA GLY 1 -0.558 -6.597 -32.927
3 HA3 GLY 1 2HA GLY 1 -1.831 -5.527 -32.360
4 H SER 2 H SER 2 -0.645 -4.754 -30.621
5 HA SER 2 HA SER 2 0.644 -6.447 -28.738
6 HB2 SER 2 1HB SER 2 1.362 -4.148 -28.968
7 HB3 SER 2 2HB SER 2 -0.245 -3.560 -28.541
8 HG SER 2 HG SER 2 0.054 -4.440 -26.467
9 H SER 3 H SER 3 -0.567 -7.934 -27.717
10 HA SER 3 HA SER 3 -3.261 -7.658 -26.993
11 HB2 SER 3 1HB SER 3 -2.340 -9.859 -27.139
12 HB3 SER 3 2HB SER 3 -1.086 -9.483 -25.957
13 HG SER 3 HG SER 3 -3.864 -9.473 -25.385
14 H GLY 4 H GLY 4 -4.232 -7.412 -24.914
15 HA2 GLY 4 1HA GLY 4 -2.807 -5.466 -23.269
16 HA3 GLY 4 2HA GLY 4 -4.523 -5.834 -23.193
17 H SER 5 H SER 5 -3.843 -5.712 -20.827
18 HA SER 5 HA SER 5 -2.370 -7.902 -19.737
19 HB2 SER 5 1HB SER 5 -3.048 -7.033 -17.568
20 HB3 SER 5 2HB SER 5 -2.565 -5.694 -18.609
21 HG SER 5 HG SER 5 -4.809 -5.361 -19.039
22 H SER 6 H SER 6 -3.432 -9.265 -17.952
23 HA SER 6 HA SER 6 -6.186 -10.010 -18.493
24 HB2 SER 6 1HB SER 6 -5.780 -12.244 -19.143
25 HB3 SER 6 2HB SER 6 -4.642 -11.294 -20.099
26 HG SER 6 HG SER 6 -4.071 -12.693 -17.695
27 H GLY 7 H GLY 7 -6.960 -11.693 -16.957
28 HA2 GLY 7 1HA GLY 7 -5.606 -12.658 -14.764
29 HA3 GLY 7 2HA GLY 7 -6.110 -11.037 -14.309
30 H THR 8 H THR 8 -7.166 -14.267 -15.081
31 HA THR 8 HA THR 8 -9.965 -13.728 -14.866
32 HB THR 8 HB THR 8 -9.193 -15.657 -16.137
33 HG1 THR 8 HG1 THR 8 -10.474 -16.840 -13.934
34 HG21 THR 8 3HG2 THR 8 -7.228 -16.101 -14.583
35 HG22 THR 8 1HG2 THR 8 -8.088 -17.518 -15.184
36 HG23 THR 8 2HG2 THR 8 -8.374 -16.945 -13.541
37 H GLY 9 H GLY 9 -7.525 -15.105 -12.681
38 HA2 GLY 9 1HA GLY 9 -9.334 -15.603 -10.546
39 HA3 GLY 9 2HA GLY 9 -7.582 -15.532 -10.422
40 H GLU 10 H GLU 10 -10.546 -13.867 -9.926
41 HA GLU 10 HA GLU 10 -9.613 -11.232 -9.666
42 HB2 GLU 10 1HB GLU 10 -11.651 -10.841 -8.338
43 HB3 GLU 10 2HB GLU 10 -11.986 -11.738 -9.812
44 HG2 GLU 10 1HG GLU 10 -11.513 -13.207 -7.260
45 HG3 GLU 10 2HG GLU 10 -13.078 -12.456 -7.569
46 H LYS 11 H LYS 11 -8.602 -10.152 -8.074
47 HA LYS 11 HA LYS 11 -7.489 -11.687 -5.889
48 HB2 LYS 11 1HB LYS 11 -7.108 -8.844 -6.822
49 HB3 LYS 11 2HB LYS 11 -6.346 -9.475 -5.367
50 HG2 LYS 11 1HG LYS 11 -4.884 -10.779 -6.527
51 HG3 LYS 11 2HG LYS 11 -5.984 -10.993 -7.891
52 HD2 LYS 11 1HD LYS 11 -5.599 -8.481 -8.316
53 HD3 LYS 11 2HD LYS 11 -4.205 -8.664 -7.249
54 HE2 LYS 11 1HE LYS 11 -3.217 -9.075 -9.269
55 HE3 LYS 11 2HE LYS 11 -3.696 -10.712 -8.825
56 HZ1 LYS 11 3HZ LYS 11 -4.751 -8.969 -10.908
57 HZ2 LYS 11 1HZ LYS 11 -5.872 -9.945 -10.100
58 HZ3 LYS 11 2HZ LYS 11 -4.557 -10.649 -10.898
59 HA PRO 12 HA PRO 12 -10.426 -10.519 -2.827
60 HB2 PRO 12 1HB PRO 12 -8.881 -10.790 -0.611
61 HB3 PRO 12 2HB PRO 12 -9.503 -12.171 -1.523
62 HG2 PRO 12 1HG PRO 12 -6.791 -10.907 -1.613
63 HG3 PRO 12 2HG PRO 12 -7.224 -12.627 -1.601
64 HD2 PRO 12 1HD PRO 12 -6.542 -11.312 -3.868
65 HD3 PRO 12 2HD PRO 12 -7.710 -12.649 -3.854
66 H TYR 13 H TYR 13 -7.290 -8.939 -2.956
67 HA TYR 13 HA TYR 13 -8.395 -6.634 -1.502
68 HB2 TYR 13 1HB TYR 13 -5.489 -6.899 -2.176
69 HB3 TYR 13 2HB TYR 13 -6.247 -6.071 -0.821
70 HD1 TYR 13 HD2 TYR 13 -8.058 -8.402 0.007
71 HD2 TYR 13 HD1 TYR 13 -3.915 -8.184 -0.937
72 HE1 TYR 13 HE2 TYR 13 -7.635 -10.356 1.439
73 HE2 TYR 13 HE1 TYR 13 -3.480 -10.139 0.492
74 HH TYR 13 HH TYR 13 -5.053 -11.165 2.734
75 H LYS 14 H LYS 14 -8.383 -4.600 -2.392
76 HA LYS 14 HA LYS 14 -7.145 -4.071 -4.935
77 HB2 LYS 14 1HB LYS 14 -9.089 -5.166 -5.796
78 HB3 LYS 14 2HB LYS 14 -10.145 -4.289 -4.697
79 HG2 LYS 14 1HG LYS 14 -9.123 -2.204 -5.972
80 HG3 LYS 14 2HG LYS 14 -8.895 -3.414 -7.237
81 HD2 LYS 14 1HD LYS 14 -11.407 -3.993 -6.611
82 HD3 LYS 14 2HD LYS 14 -11.402 -2.307 -6.087
83 HE2 LYS 14 1HE LYS 14 -10.406 -1.780 -8.376
84 HE3 LYS 14 2HE LYS 14 -10.873 -3.418 -8.829
85 HZ1 LYS 14 3HZ LYS 14 -12.469 -1.113 -8.741
86 HZ2 LYS 14 1HZ LYS 14 -13.071 -2.213 -7.606
87 HZ3 LYS 14 2HZ LYS 14 -12.904 -2.674 -9.224
88 H CYS 15 H CYS 15 -6.572 -1.993 -5.019
89 HA CYS 15 HA CYS 15 -6.948 -0.229 -2.908
90 HB2 CYS 15 1HB CYS 15 -5.308 -0.221 -5.001
91 HB3 CYS 15 2HB CYS 15 -6.514 0.892 -5.637
92 H GLN 16 H GLN 16 -7.877 2.081 -3.305
93 HA GLN 16 HA GLN 16 -10.553 1.827 -4.508
94 HB2 GLN 16 1HB GLN 16 -9.902 3.351 -1.982
95 HB3 GLN 16 2HB GLN 16 -11.494 3.117 -2.692
96 HG2 GLN 16 1HG GLN 16 -9.801 0.822 -1.762
97 HG3 GLN 16 2HG GLN 16 -10.898 1.688 -0.687
98 HE21 GLN 16 1HE2 GLN 16 -10.601 -0.614 -3.207
99 HE22 GLN 16 2HE2 GLN 16 -12.271 -1.042 -3.319
100 H VAL 17 H VAL 17 -7.808 3.868 -3.776
101 HA VAL 17 HA VAL 17 -8.900 6.265 -4.872
102 HB VAL 17 HB VAL 17 -6.516 7.050 -4.885
103 HG11 VAL 17 1HG1 VAL 17 -6.277 6.891 -2.362
104 HG12 VAL 17 2HG1 VAL 17 -7.788 7.570 -2.970
105 HG13 VAL 17 3HG1 VAL 17 -7.738 5.905 -2.388
106 HG21 VAL 17 3HG2 VAL 17 -5.980 4.346 -3.657
107 HG22 VAL 17 1HG2 VAL 17 -5.476 4.857 -5.268
108 HG23 VAL 17 2HG2 VAL 17 -4.817 5.660 -3.843
109 H CYS 18 H CYS 18 -6.750 3.735 -6.111
110 HA CYS 18 HA CYS 18 -6.988 4.924 -8.793
111 HB2 CYS 18 1HB CYS 18 -4.960 3.700 -9.379
112 HB3 CYS 18 2HB CYS 18 -4.680 4.697 -7.955
113 H GLY 19 H GLY 19 -7.400 1.995 -6.906
114 HA2 GLY 19 1HA GLY 19 -9.096 0.405 -7.411
115 HA3 GLY 19 2HA GLY 19 -9.013 0.894 -9.096
116 H LYS 20 H LYS 20 -6.058 0.353 -7.396
117 HA LYS 20 HA LYS 20 -5.226 -1.650 -9.223
118 HB2 LYS 20 1HB LYS 20 -4.091 -0.357 -6.798
119 HB3 LYS 20 2HB LYS 20 -3.405 -1.904 -7.278
120 HG2 LYS 20 1HG LYS 20 -3.722 0.184 -9.363
121 HG3 LYS 20 2HG LYS 20 -2.443 0.388 -8.163
122 HD2 LYS 20 1HD LYS 20 -1.982 -2.152 -8.785
123 HD3 LYS 20 2HD LYS 20 -2.749 -1.659 -10.296
124 HE2 LYS 20 1HE LYS 20 -0.577 -1.152 -10.784
125 HE3 LYS 20 2HE LYS 20 -1.081 0.376 -10.065
126 HZ1 LYS 20 3HZ LYS 20 0.814 -1.574 -9.102
127 HZ2 LYS 20 1HZ LYS 20 -0.260 -1.019 -7.918
128 HZ3 LYS 20 2HZ LYS 20 0.701 0.081 -8.771
129 H ALA 21 H ALA 21 -4.174 -3.737 -8.253
130 HA ALA 21 HA ALA 21 -5.774 -4.941 -6.144
131 HB1 ALA 21 3HB ALA 21 -7.115 -5.349 -8.138
132 HB2 ALA 21 1HB ALA 21 -5.725 -6.093 -8.931
133 HB3 ALA 21 2HB ALA 21 -6.443 -6.855 -7.511
134 H PHE 22 H PHE 22 -4.771 -6.649 -5.127
135 HA PHE 22 HA PHE 22 -2.344 -7.781 -6.245
136 HB2 PHE 22 1HB PHE 22 -2.155 -6.569 -3.501
137 HB3 PHE 22 2HB PHE 22 -0.856 -7.071 -4.578
138 HD1 PHE 22 HD2 PHE 22 -3.575 -4.565 -4.229
139 HD2 PHE 22 HD1 PHE 22 0.207 -5.518 -5.933
140 HE1 PHE 22 HE2 PHE 22 -3.362 -2.253 -5.041
141 HE2 PHE 22 HE1 PHE 22 0.427 -3.206 -6.747
142 HZ PHE 22 HZ PHE 22 -1.360 -1.571 -6.302
143 H ARG 23 H ARG 23 -2.818 -9.874 -6.069
144 HA ARG 23 HA ARG 23 -4.598 -11.121 -4.419
145 HB2 ARG 23 1HB ARG 23 -3.154 -13.186 -4.709
146 HB3 ARG 23 2HB ARG 23 -3.648 -12.375 -6.189
147 HG2 ARG 23 1HG ARG 23 -1.478 -11.368 -6.425
148 HG3 ARG 23 2HG ARG 23 -0.972 -12.009 -4.860
149 HD2 ARG 23 1HD ARG 23 -0.042 -13.546 -6.297
150 HD3 ARG 23 2HD ARG 23 -1.588 -14.310 -5.929
151 HE ARG 23 HE ARG 23 -2.106 -12.840 -8.153
152 HH11 ARG 23 1HH1 ARG 23 0.275 -15.245 -7.337
153 HH12 ARG 23 2HH1 ARG 23 0.421 -15.838 -8.958
154 HH21 ARG 23 1HH2 ARG 23 -1.922 -13.612 -10.291
155 HH22 ARG 23 2HH2 ARG 23 -0.828 -14.909 -10.638
156 H VAL 24 H VAL 24 -1.553 -9.794 -3.554
157 HA VAL 24 HA VAL 24 -1.662 -11.129 -0.931
158 HB VAL 24 HB VAL 24 0.666 -10.750 -0.665
159 HG11 VAL 24 1HG1 VAL 24 1.027 -12.540 -1.927
160 HG12 VAL 24 2HG1 VAL 24 -0.359 -12.142 -2.944
161 HG13 VAL 24 3HG1 VAL 24 1.233 -11.483 -3.324
162 HG21 VAL 24 3HG2 VAL 24 2.023 -9.418 -2.110
163 HG22 VAL 24 1HG2 VAL 24 0.692 -9.196 -3.246
164 HG23 VAL 24 2HG2 VAL 24 0.624 -8.448 -1.650
165 H SER 25 H SER 25 -1.149 -9.846 0.952
166 HA SER 25 HA SER 25 -2.363 -7.218 0.798
167 HB2 SER 25 1HB SER 25 -3.080 -8.578 2.635
168 HB3 SER 25 2HB SER 25 -1.417 -8.912 3.117
169 HG SER 25 HG SER 25 -2.341 -7.303 4.430
170 H SER 26 H SER 26 0.790 -8.636 1.344
171 HA SER 26 HA SER 26 2.137 -6.438 2.407
172 HB2 SER 26 1HB SER 26 4.184 -7.502 1.321
173 HB3 SER 26 2HB SER 26 3.261 -8.532 2.414
174 HG SER 26 HG SER 26 3.544 -8.665 -0.354
175 H HIS 27 H HIS 27 2.144 -7.491 -1.004
176 HA HIS 27 HA HIS 27 3.434 -5.303 -2.087
177 HB2 HIS 27 1HB HIS 27 1.369 -7.179 -3.210
178 HB3 HIS 27 2HB HIS 27 2.032 -5.871 -4.185
179 HD2 HIS 27 HD2 HIS 27 4.535 -7.705 -1.871
180 HE1 HIS 27 HE1 HIS 27 5.178 -9.065 -5.838
181 HE2 HIS 27 HE2 HIS 27 5.990 -9.142 -3.455
182 H LEU 28 H LEU 28 -0.096 -5.785 -1.900
183 HA LEU 28 HA LEU 28 -0.972 -3.415 -2.932
184 HB2 LEU 28 1HB LEU 28 -2.597 -4.994 -2.358
185 HB3 LEU 28 2HB LEU 28 -2.027 -5.106 -0.694
186 HG LEU 28 HG LEU 28 -2.975 -2.939 -0.184
187 HD11 LEU 28 1HD1 LEU 28 -4.239 -1.666 -1.798
188 HD12 LEU 28 2HD1 LEU 28 -3.924 -2.872 -3.044
189 HD13 LEU 28 3HD1 LEU 28 -2.597 -1.911 -2.393
190 HD21 LEU 28 3HD2 LEU 28 -5.152 -3.628 -0.027
191 HD22 LEU 28 1HD2 LEU 28 -4.362 -5.166 -0.377
192 HD23 LEU 28 2HD2 LEU 28 -5.182 -4.282 -1.665
193 H VAL 29 H VAL 29 0.264 -4.001 0.319
194 HA VAL 29 HA VAL 29 -0.367 -1.494 1.428
195 HB VAL 29 HB VAL 29 1.915 -3.350 2.123
196 HG11 VAL 29 1HG1 VAL 29 1.765 -0.788 2.897
197 HG12 VAL 29 2HG1 VAL 29 0.753 -1.528 4.139
198 HG13 VAL 29 3HG1 VAL 29 2.418 -2.068 3.919
199 HG21 VAL 29 3HG2 VAL 29 0.441 -4.649 3.170
200 HG22 VAL 29 1HG2 VAL 29 -0.291 -3.264 3.981
201 HG23 VAL 29 2HG2 VAL 29 -0.836 -3.732 2.370
202 H GLN 30 H GLN 30 2.795 -2.655 0.241
203 HA GLN 30 HA GLN 30 4.172 -0.267 0.397
204 HB2 GLN 30 1HB GLN 30 4.495 -2.420 -1.700
205 HB3 GLN 30 2HB GLN 30 5.688 -1.191 -1.302
206 HG2 GLN 30 1HG GLN 30 4.757 -3.489 0.386
207 HG3 GLN 30 2HG GLN 30 6.378 -3.163 -0.224
208 HE21 GLN 30 1HE2 GLN 30 3.927 -2.161 2.064
209 HE22 GLN 30 2HE2 GLN 30 4.995 -1.329 3.138
210 H HIS 31 H HIS 31 1.705 -1.199 -1.814
211 HA HIS 31 HA HIS 31 2.369 0.824 -3.778
212 HB2 HIS 31 1HB HIS 31 1.389 -0.927 -4.888
213 HB3 HIS 31 2HB HIS 31 0.339 -1.338 -3.535
214 HD1 HIS 31 HD1 HIS 31 0.598 1.092 -6.409
215 HD2 HIS 31 HD2 HIS 31 -2.194 -0.271 -3.651
216 HE1 HIS 31 HE1 HIS 31 -1.606 2.046 -7.156
217 H HIS 32 H HIS 32 0.418 0.523 -0.952
218 HA HIS 32 HA HIS 32 -1.462 2.570 -1.501
219 HB2 HIS 32 1HB HIS 32 -0.562 1.093 0.924
220 HB3 HIS 32 2HB HIS 32 -1.436 2.602 1.165
221 HD2 HIS 32 HD2 HIS 32 -2.421 -0.824 1.351
222 HE1 HIS 32 HE1 HIS 32 -5.551 0.861 -0.966
223 HE2 HIS 32 HE2 HIS 32 -4.848 -1.070 0.491
224 H SER 33 H SER 33 1.810 2.767 -1.165
225 HA SER 33 HA SER 33 1.690 5.493 -0.054
226 HB2 SER 33 1HB SER 33 4.009 3.548 -0.135
227 HB3 SER 33 2HB SER 33 4.106 5.205 0.462
228 HG SER 33 HG SER 33 2.985 2.957 1.626
229 H VAL 34 H VAL 34 1.513 4.173 -2.905
230 HA VAL 34 HA VAL 34 3.659 5.590 -4.262
231 HB VAL 34 HB VAL 34 3.011 4.495 -6.239
232 HG11 VAL 34 1HG1 VAL 34 2.522 2.080 -5.398
233 HG12 VAL 34 2HG1 VAL 34 4.050 2.859 -4.983
234 HG13 VAL 34 3HG1 VAL 34 2.743 2.791 -3.800
235 HG21 VAL 34 3HG2 VAL 34 0.862 4.398 -6.795
236 HG22 VAL 34 1HG2 VAL 34 0.666 3.062 -5.660
237 HG23 VAL 34 2HG2 VAL 34 0.375 4.719 -5.131
238 H HIS 35 H HIS 35 0.515 6.232 -3.221
239 HA HIS 35 HA HIS 35 -0.011 8.201 -5.314
240 HB2 HIS 35 1HB HIS 35 -1.761 7.566 -2.940
241 HB3 HIS 35 2HB HIS 35 -2.226 8.355 -4.444
242 HD1 HIS 35 HD1 HIS 35 -1.529 6.550 -6.609
243 HD2 HIS 35 HD2 HIS 35 -2.751 5.065 -2.927
244 HE1 HIS 35 HE1 HIS 35 -2.340 4.214 -7.063
245 H SER 36 H SER 36 0.286 8.047 -1.773
246 HA SER 36 HA SER 36 -0.006 10.734 -1.189
247 HB2 SER 36 1HB SER 36 1.413 8.461 0.122
248 HB3 SER 36 2HB SER 36 1.749 10.090 0.708
249 HG SER 36 HG SER 36 -0.844 8.963 0.444
250 H GLY 37 H GLY 37 1.368 12.489 -1.044
251 HA2 GLY 37 1HA GLY 37 3.971 12.878 -1.097
252 HA3 GLY 37 2HA GLY 37 3.742 12.315 -2.746
253 H GLU 38 H GLU 38 2.848 13.664 -4.265
254 HA GLU 38 HA GLU 38 1.502 16.077 -3.654
255 HB2 GLU 38 1HB GLU 38 3.968 16.531 -3.015
256 HB3 GLU 38 2HB GLU 38 4.259 16.559 -4.748
257 HG2 GLU 38 1HG GLU 38 2.733 18.395 -5.028
258 HG3 GLU 38 2HG GLU 38 2.273 18.316 -3.328
259 H ARG 39 H ARG 39 0.213 16.387 -5.335
260 HA ARG 39 HA ARG 39 0.400 14.975 -7.739
261 HB2 ARG 39 1HB ARG 39 -1.156 17.423 -6.935
262 HB3 ARG 39 2HB ARG 39 -1.276 16.747 -8.553
263 HG2 ARG 39 1HG ARG 39 -1.784 15.120 -6.081
264 HG3 ARG 39 2HG ARG 39 -3.047 16.044 -6.898
265 HD2 ARG 39 1HD ARG 39 -2.217 14.779 -9.017
266 HD3 ARG 39 2HD ARG 39 -1.526 13.653 -7.850
267 HE ARG 39 HE ARG 39 -4.290 13.950 -8.530
268 HH11 ARG 39 1HH1 ARG 39 -2.080 13.024 -6.005
269 HH12 ARG 39 2HH1 ARG 39 -3.217 11.986 -5.210
270 HH21 ARG 39 1HH2 ARG 39 -5.796 12.586 -7.493
271 HH22 ARG 39 2HH2 ARG 39 -5.330 11.737 -6.058
272 HA PRO 40 HA PRO 40 3.397 17.247 -10.040
273 HB2 PRO 40 1HB PRO 40 2.714 16.401 -12.528
274 HB3 PRO 40 2HB PRO 40 3.565 15.377 -11.365
275 HG2 PRO 40 1HG PRO 40 0.653 15.444 -12.055
276 HG3 PRO 40 2HG PRO 40 1.710 14.043 -11.798
277 HD2 PRO 40 1HD PRO 40 0.006 14.949 -9.899
278 HD3 PRO 40 2HD PRO 40 1.563 14.194 -9.503
279 H SER 41 H SER 41 0.085 17.827 -10.110
280 HA SER 41 HA SER 41 -0.386 19.457 -12.269
281 HB2 SER 41 1HB SER 41 -2.070 20.605 -10.860
282 HB3 SER 41 2HB SER 41 -2.139 18.852 -10.682
283 HG SER 41 HG SER 41 -0.786 20.619 -8.918
284 H GLY 42 H GLY 42 -0.666 21.897 -12.207
285 HA2 GLY 42 1HA GLY 42 0.291 23.981 -12.121
286 HA3 GLY 42 2HA GLY 42 0.878 23.532 -10.526
287 HA PRO 43 HA PRO 43 4.329 22.124 -13.600
288 HB2 PRO 43 1HB PRO 43 4.007 22.804 -16.208
289 HB3 PRO 43 2HB PRO 43 3.414 21.282 -15.532
290 HG2 PRO 43 1HG PRO 43 1.923 23.818 -16.086
291 HG3 PRO 43 2HG PRO 43 1.433 22.141 -16.395
292 HD2 PRO 43 1HD PRO 43 0.543 23.549 -14.260
293 HD3 PRO 43 2HD PRO 43 0.795 21.792 -14.208
294 H SER 44 H SER 44 6.178 23.293 -13.971
295 HA SER 44 HA SER 44 6.438 25.870 -13.161
296 HB2 SER 44 1HB SER 44 8.347 24.368 -13.592
297 HB3 SER 44 2HB SER 44 8.096 24.554 -15.328
298 HG SER 44 HG SER 44 8.375 26.881 -13.826
299 H SER 45 H SER 45 5.391 27.619 -13.827
300 HA SER 45 HA SER 45 4.930 27.981 -16.711
301 HB2 SER 45 1HB SER 45 3.423 28.937 -14.286
302 HB3 SER 45 2HB SER 45 3.217 29.717 -15.854
303 HG SER 45 HG SER 45 1.750 27.903 -15.281
304 H GLY 46 H GLY 46 6.166 29.423 -17.703
305 HA2 GLY 46 1HA GLY 46 6.564 32.044 -17.087
306 HA3 GLY 46 2HA GLY 46 7.842 31.221 -16.204
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -7.496 -6.305 -33.444
2 HA2 GLY 1 1HA GLY 1 -6.429 -8.023 -32.244
3 HA3 GLY 1 2HA GLY 1 -4.892 -7.205 -32.484
4 H SER 2 H SER 2 -5.490 -8.227 -30.031
5 HA SER 2 HA SER 2 -5.185 -5.976 -28.352
6 HB2 SER 2 1HB SER 2 -7.287 -6.321 -26.997
7 HB3 SER 2 2HB SER 2 -7.545 -5.621 -28.595
8 HG SER 2 HG SER 2 -8.246 -8.125 -27.609
9 H SER 3 H SER 3 -5.289 -6.656 -25.974
10 HA SER 3 HA SER 3 -4.379 -9.451 -25.741
11 HB2 SER 3 1HB SER 3 -3.309 -6.921 -24.528
12 HB3 SER 3 2HB SER 3 -3.062 -8.465 -23.714
13 HG SER 3 HG SER 3 -2.478 -8.351 -26.433
14 H GLY 4 H GLY 4 -5.276 -10.701 -24.198
15 HA2 GLY 4 1HA GLY 4 -7.227 -9.397 -22.401
16 HA3 GLY 4 2HA GLY 4 -7.443 -11.003 -23.081
17 H SER 5 H SER 5 -7.470 -12.303 -21.346
18 HA SER 5 HA SER 5 -6.774 -13.430 -19.496
19 HB2 SER 5 1HB SER 5 -4.110 -12.495 -20.569
20 HB3 SER 5 2HB SER 5 -4.255 -13.563 -19.174
21 HG SER 5 HG SER 5 -5.391 -14.113 -21.714
22 H SER 6 H SER 6 -7.785 -10.919 -18.994
23 HA SER 6 HA SER 6 -6.042 -9.888 -16.855
24 HB2 SER 6 1HB SER 6 -6.831 -8.375 -18.830
25 HB3 SER 6 2HB SER 6 -8.369 -8.348 -17.967
26 HG SER 6 HG SER 6 -5.864 -7.640 -16.834
27 H GLY 7 H GLY 7 -7.532 -12.176 -16.364
28 HA2 GLY 7 1HA GLY 7 -9.162 -11.253 -14.158
29 HA3 GLY 7 2HA GLY 7 -10.055 -12.099 -15.413
30 H THR 8 H THR 8 -10.319 -14.197 -15.098
31 HA THR 8 HA THR 8 -10.199 -16.160 -13.854
32 HB THR 8 HB THR 8 -8.955 -16.556 -15.950
33 HG1 THR 8 HG1 THR 8 -7.485 -18.247 -14.852
34 HG21 THR 8 3HG2 THR 8 -6.666 -16.253 -16.183
35 HG22 THR 8 1HG2 THR 8 -6.389 -16.220 -14.442
36 HG23 THR 8 2HG2 THR 8 -7.135 -14.837 -15.242
37 H GLY 9 H GLY 9 -9.842 -14.287 -11.976
38 HA2 GLY 9 1HA GLY 9 -8.827 -15.336 -9.788
39 HA3 GLY 9 2HA GLY 9 -7.335 -14.846 -10.575
40 H GLU 10 H GLU 10 -10.526 -13.486 -9.747
41 HA GLU 10 HA GLU 10 -9.589 -10.806 -9.687
42 HB2 GLU 10 1HB GLU 10 -11.794 -10.474 -8.364
43 HB3 GLU 10 2HB GLU 10 -11.879 -10.970 -10.048
44 HG2 GLU 10 1HG GLU 10 -11.834 -13.088 -7.971
45 HG3 GLU 10 2HG GLU 10 -13.309 -12.144 -8.171
46 H LYS 11 H LYS 11 -7.795 -10.688 -8.347
47 HA LYS 11 HA LYS 11 -7.226 -11.702 -5.941
48 HB2 LYS 11 1HB LYS 11 -6.923 -8.791 -6.699
49 HB3 LYS 11 2HB LYS 11 -6.093 -9.568 -5.358
50 HG2 LYS 11 1HG LYS 11 -4.699 -10.768 -6.736
51 HG3 LYS 11 2HG LYS 11 -5.816 -10.701 -8.101
52 HD2 LYS 11 1HD LYS 11 -5.362 -8.219 -8.194
53 HD3 LYS 11 2HD LYS 11 -4.061 -8.497 -7.034
54 HE2 LYS 11 1HE LYS 11 -3.381 -10.346 -8.805
55 HE3 LYS 11 2HE LYS 11 -4.266 -9.279 -9.895
56 HZ1 LYS 11 3HZ LYS 11 -2.661 -7.744 -9.816
57 HZ2 LYS 11 1HZ LYS 11 -1.675 -8.994 -9.241
58 HZ3 LYS 11 2HZ LYS 11 -2.406 -7.925 -8.153
59 HA PRO 12 HA PRO 12 -10.404 -10.657 -3.078
60 HB2 PRO 12 1HB PRO 12 -9.010 -10.951 -0.767
61 HB3 PRO 12 2HB PRO 12 -9.544 -12.321 -1.747
62 HG2 PRO 12 1HG PRO 12 -6.854 -11.013 -1.625
63 HG3 PRO 12 2HG PRO 12 -7.258 -12.739 -1.677
64 HD2 PRO 12 1HD PRO 12 -6.445 -11.366 -3.865
65 HD3 PRO 12 2HD PRO 12 -7.588 -12.722 -3.958
66 H TYR 13 H TYR 13 -7.308 -9.011 -3.002
67 HA TYR 13 HA TYR 13 -8.531 -6.769 -1.545
68 HB2 TYR 13 1HB TYR 13 -5.597 -6.917 -2.100
69 HB3 TYR 13 2HB TYR 13 -6.440 -6.188 -0.739
70 HD1 TYR 13 HD2 TYR 13 -8.137 -8.442 0.151
71 HD2 TYR 13 HD1 TYR 13 -4.075 -8.384 -1.112
72 HE1 TYR 13 HE2 TYR 13 -7.694 -10.448 1.503
73 HE2 TYR 13 HE1 TYR 13 -3.620 -10.390 0.236
74 HH TYR 13 HH TYR 13 -4.731 -11.455 2.383
75 H LYS 14 H LYS 14 -8.497 -4.700 -2.372
76 HA LYS 14 HA LYS 14 -7.212 -4.131 -4.894
77 HB2 LYS 14 1HB LYS 14 -9.194 -5.152 -5.767
78 HB3 LYS 14 2HB LYS 14 -10.218 -4.256 -4.653
79 HG2 LYS 14 1HG LYS 14 -9.120 -2.189 -5.895
80 HG3 LYS 14 2HG LYS 14 -8.941 -3.385 -7.181
81 HD2 LYS 14 1HD LYS 14 -11.447 -3.899 -6.665
82 HD3 LYS 14 2HD LYS 14 -11.431 -2.292 -5.935
83 HE2 LYS 14 1HE LYS 14 -10.642 -1.338 -8.036
84 HE3 LYS 14 2HE LYS 14 -10.617 -2.942 -8.767
85 HZ1 LYS 14 3HZ LYS 14 -12.671 -1.281 -8.976
86 HZ2 LYS 14 1HZ LYS 14 -13.137 -2.113 -7.579
87 HZ3 LYS 14 2HZ LYS 14 -12.842 -2.963 -9.012
88 H CYS 15 H CYS 15 -6.703 -2.020 -5.062
89 HA CYS 15 HA CYS 15 -6.960 -0.307 -2.865
90 HB2 CYS 15 1HB CYS 15 -5.360 -0.284 -4.984
91 HB3 CYS 15 2HB CYS 15 -6.565 0.848 -5.588
92 H GLN 16 H GLN 16 -7.828 2.058 -3.284
93 HA GLN 16 HA GLN 16 -10.543 1.863 -4.404
94 HB2 GLN 16 1HB GLN 16 -9.854 3.377 -1.887
95 HB3 GLN 16 2HB GLN 16 -11.454 3.074 -2.549
96 HG2 GLN 16 1HG GLN 16 -9.595 0.954 -1.498
97 HG3 GLN 16 2HG GLN 16 -10.928 1.673 -0.596
98 HE21 GLN 16 1HE2 GLN 16 -10.163 -1.048 -1.964
99 HE22 GLN 16 2HE2 GLN 16 -11.667 -1.538 -2.658
100 H VAL 17 H VAL 17 -7.705 3.779 -3.780
101 HA VAL 17 HA VAL 17 -8.784 6.239 -4.783
102 HB VAL 17 HB VAL 17 -6.359 6.948 -4.848
103 HG11 VAL 17 1HG1 VAL 17 -7.700 5.947 -2.361
104 HG12 VAL 17 2HG1 VAL 17 -6.132 6.754 -2.291
105 HG13 VAL 17 3HG1 VAL 17 -7.534 7.602 -2.945
106 HG21 VAL 17 3HG2 VAL 17 -5.900 4.289 -3.503
107 HG22 VAL 17 1HG2 VAL 17 -5.457 4.655 -5.170
108 HG23 VAL 17 2HG2 VAL 17 -4.697 5.533 -3.843
109 H CYS 18 H CYS 18 -6.771 3.645 -6.097
110 HA CYS 18 HA CYS 18 -7.023 4.880 -8.760
111 HB2 CYS 18 1HB CYS 18 -5.002 3.728 -9.404
112 HB3 CYS 18 2HB CYS 18 -4.695 4.603 -7.908
113 H GLY 19 H GLY 19 -7.452 1.964 -6.873
114 HA2 GLY 19 1HA GLY 19 -9.152 0.379 -7.357
115 HA3 GLY 19 2HA GLY 19 -9.099 0.877 -9.042
116 H LYS 20 H LYS 20 -6.140 0.269 -7.342
117 HA LYS 20 HA LYS 20 -5.362 -1.733 -9.213
118 HB2 LYS 20 1HB LYS 20 -4.145 -0.430 -6.832
119 HB3 LYS 20 2HB LYS 20 -3.482 -1.982 -7.327
120 HG2 LYS 20 1HG LYS 20 -3.827 0.262 -9.282
121 HG3 LYS 20 2HG LYS 20 -2.401 0.142 -8.249
122 HD2 LYS 20 1HD LYS 20 -3.238 -2.263 -9.789
123 HD3 LYS 20 2HD LYS 20 -2.460 -0.940 -10.660
124 HE2 LYS 20 1HE LYS 20 -0.668 -1.051 -8.830
125 HE3 LYS 20 2HE LYS 20 -1.371 -2.614 -8.418
126 HZ1 LYS 20 3HZ LYS 20 -0.696 -3.539 -10.388
127 HZ2 LYS 20 1HZ LYS 20 0.581 -2.468 -10.099
128 HZ3 LYS 20 2HZ LYS 20 -0.630 -2.061 -11.207
129 H ALA 21 H ALA 21 -4.232 -3.789 -8.169
130 HA ALA 21 HA ALA 21 -5.762 -4.970 -6.015
131 HB1 ALA 21 3HB ALA 21 -6.699 -6.779 -7.240
132 HB2 ALA 21 1HB ALA 21 -7.152 -5.295 -8.080
133 HB3 ALA 21 2HB ALA 21 -5.850 -6.305 -8.712
134 H PHE 22 H PHE 22 -4.645 -6.541 -4.968
135 HA PHE 22 HA PHE 22 -2.310 -7.735 -6.258
136 HB2 PHE 22 1HB PHE 22 -2.052 -6.569 -3.494
137 HB3 PHE 22 2HB PHE 22 -0.775 -7.098 -4.585
138 HD1 PHE 22 HD2 PHE 22 -3.476 -4.557 -4.285
139 HD2 PHE 22 HD1 PHE 22 0.350 -5.542 -5.867
140 HE1 PHE 22 HE2 PHE 22 -3.221 -2.248 -5.095
141 HE2 PHE 22 HE1 PHE 22 0.612 -3.234 -6.679
142 HZ PHE 22 HZ PHE 22 -1.175 -1.584 -6.295
143 H ARG 23 H ARG 23 -2.781 -9.832 -6.129
144 HA ARG 23 HA ARG 23 -4.507 -11.163 -4.527
145 HB2 ARG 23 1HB ARG 23 -2.940 -13.167 -4.775
146 HB3 ARG 23 2HB ARG 23 -3.492 -12.395 -6.256
147 HG2 ARG 23 1HG ARG 23 -1.381 -11.237 -6.481
148 HG3 ARG 23 2HG ARG 23 -0.827 -11.903 -4.943
149 HD2 ARG 23 1HD ARG 23 0.154 -13.369 -6.403
150 HD3 ARG 23 2HD ARG 23 -1.377 -14.192 -6.109
151 HE ARG 23 HE ARG 23 -0.518 -12.925 -8.565
152 HH11 ARG 23 1HH1 ARG 23 -3.173 -14.219 -6.722
153 HH12 ARG 23 2HH1 ARG 23 -4.180 -14.477 -8.108
154 HH21 ARG 23 1HH2 ARG 23 -1.834 -13.259 -10.397
155 HH22 ARG 23 2HH2 ARG 23 -3.417 -13.931 -10.199
156 H VAL 24 H VAL 24 -1.471 -9.820 -3.582
157 HA VAL 24 HA VAL 24 -1.630 -11.171 -0.972
158 HB VAL 24 HB VAL 24 0.686 -10.588 -0.624
159 HG11 VAL 24 1HG1 VAL 24 1.542 -11.610 -2.977
160 HG12 VAL 24 2HG1 VAL 24 0.853 -12.576 -1.670
161 HG13 VAL 24 3HG1 VAL 24 -0.161 -12.067 -3.021
162 HG21 VAL 24 3HG2 VAL 24 0.180 -8.526 -2.420
163 HG22 VAL 24 1HG2 VAL 24 1.727 -8.920 -1.669
164 HG23 VAL 24 2HG2 VAL 24 1.325 -9.575 -3.256
165 H SER 25 H SER 25 -1.100 -9.868 0.937
166 HA SER 25 HA SER 25 -2.503 -7.337 0.841
167 HB2 SER 25 1HB SER 25 -2.972 -8.886 2.677
168 HB3 SER 25 2HB SER 25 -1.280 -8.835 3.171
169 HG SER 25 HG SER 25 -1.881 -6.377 3.168
170 H SER 26 H SER 26 0.744 -8.507 1.636
171 HA SER 26 HA SER 26 1.903 -6.147 2.494
172 HB2 SER 26 1HB SER 26 3.204 -8.102 2.717
173 HB3 SER 26 2HB SER 26 3.032 -8.515 1.011
174 HG SER 26 HG SER 26 4.358 -6.171 1.875
175 H HIS 27 H HIS 27 2.490 -7.448 -0.767
176 HA HIS 27 HA HIS 27 3.563 -5.336 -2.016
177 HB2 HIS 27 1HB HIS 27 1.383 -7.101 -3.148
178 HB3 HIS 27 2HB HIS 27 2.435 -6.067 -4.111
179 HD2 HIS 27 HD2 HIS 27 4.596 -7.640 -1.486
180 HE1 HIS 27 HE1 HIS 27 4.716 -10.295 -4.793
181 HE2 HIS 27 HE2 HIS 27 5.698 -9.727 -2.544
182 H LEU 28 H LEU 28 0.038 -5.797 -1.740
183 HA LEU 28 HA LEU 28 -0.781 -3.450 -2.954
184 HB2 LEU 28 1HB LEU 28 -2.505 -4.898 -2.505
185 HB3 LEU 28 2HB LEU 28 -1.945 -5.225 -0.867
186 HG LEU 28 HG LEU 28 -2.759 -2.995 -0.180
187 HD11 LEU 28 1HD1 LEU 28 -2.644 -1.764 -2.211
188 HD12 LEU 28 2HD1 LEU 28 -4.342 -1.848 -1.746
189 HD13 LEU 28 3HD1 LEU 28 -3.728 -2.890 -3.028
190 HD21 LEU 28 3HD2 LEU 28 -4.423 -5.212 -1.122
191 HD22 LEU 28 1HD2 LEU 28 -5.284 -3.684 -0.941
192 HD23 LEU 28 2HD2 LEU 28 -4.417 -4.374 0.431
193 H VAL 29 H VAL 29 0.246 -3.998 0.377
194 HA VAL 29 HA VAL 29 -0.454 -1.497 1.435
195 HB VAL 29 HB VAL 29 1.823 -3.315 2.233
196 HG11 VAL 29 1HG1 VAL 29 0.572 -0.963 3.640
197 HG12 VAL 29 2HG1 VAL 29 1.618 -2.143 4.434
198 HG13 VAL 29 3HG1 VAL 29 2.250 -1.142 3.126
199 HG21 VAL 29 3HG2 VAL 29 -1.035 -3.498 2.544
200 HG22 VAL 29 1HG2 VAL 29 0.217 -4.666 2.968
201 HG23 VAL 29 2HG2 VAL 29 -0.241 -3.408 4.116
202 H GLN 30 H GLN 30 2.677 -2.620 0.153
203 HA GLN 30 HA GLN 30 4.058 -0.212 0.434
204 HB2 GLN 30 1HB GLN 30 4.440 -2.353 -1.665
205 HB3 GLN 30 2HB GLN 30 5.609 -1.104 -1.258
206 HG2 GLN 30 1HG GLN 30 4.698 -3.412 0.428
207 HG3 GLN 30 2HG GLN 30 6.319 -3.065 -0.171
208 HE21 GLN 30 1HE2 GLN 30 3.819 -2.024 2.061
209 HE22 GLN 30 2HE2 GLN 30 4.874 -1.200 3.153
210 H HIS 31 H HIS 31 1.712 -1.214 -1.909
211 HA HIS 31 HA HIS 31 2.369 0.830 -3.830
212 HB2 HIS 31 1HB HIS 31 1.385 -0.923 -4.936
213 HB3 HIS 31 2HB HIS 31 0.315 -1.312 -3.592
214 HD1 HIS 31 HD1 HIS 31 0.632 1.090 -6.484
215 HD2 HIS 31 HD2 HIS 31 -2.204 -0.216 -3.743
216 HE1 HIS 31 HE1 HIS 31 -1.553 2.062 -7.263
217 H HIS 32 H HIS 32 0.378 0.554 -1.026
218 HA HIS 32 HA HIS 32 -1.461 2.634 -1.612
219 HB2 HIS 32 1HB HIS 32 -0.624 1.176 0.862
220 HB3 HIS 32 2HB HIS 32 -1.574 2.650 1.023
221 HD2 HIS 32 HD2 HIS 32 -2.465 -0.766 1.311
222 HE1 HIS 32 HE1 HIS 32 -5.455 0.651 -1.344
223 HE2 HIS 32 HE2 HIS 32 -4.806 -1.158 0.284
224 H SER 33 H SER 33 1.799 2.777 -1.215
225 HA SER 33 HA SER 33 1.702 5.489 -0.067
226 HB2 SER 33 1HB SER 33 3.045 3.828 1.223
227 HB3 SER 33 2HB SER 33 4.084 3.624 -0.187
228 HG SER 33 HG SER 33 4.123 6.132 0.095
229 H VAL 34 H VAL 34 1.611 4.158 -2.939
230 HA VAL 34 HA VAL 34 3.790 5.585 -4.226
231 HB VAL 34 HB VAL 34 3.173 4.515 -6.238
232 HG11 VAL 34 1HG1 VAL 34 2.671 2.080 -5.362
233 HG12 VAL 34 2HG1 VAL 34 4.226 2.858 -5.060
234 HG13 VAL 34 3HG1 VAL 34 2.995 2.823 -3.796
235 HG21 VAL 34 3HG2 VAL 34 1.003 4.496 -6.761
236 HG22 VAL 34 1HG2 VAL 34 0.892 3.015 -5.810
237 HG23 VAL 34 2HG2 VAL 34 0.515 4.569 -5.068
238 H HIS 35 H HIS 35 0.423 6.001 -3.560
239 HA HIS 35 HA HIS 35 0.001 8.018 -5.577
240 HB2 HIS 35 1HB HIS 35 -1.766 7.483 -3.193
241 HB3 HIS 35 2HB HIS 35 -2.219 8.175 -4.748
242 HD1 HIS 35 HD1 HIS 35 -1.626 6.299 -6.816
243 HD2 HIS 35 HD2 HIS 35 -2.589 4.928 -3.015
244 HE1 HIS 35 HE1 HIS 35 -2.375 3.919 -7.130
245 H SER 36 H SER 36 0.083 8.028 -2.011
246 HA SER 36 HA SER 36 0.081 10.867 -1.824
247 HB2 SER 36 1HB SER 36 0.627 10.473 0.570
248 HB3 SER 36 2HB SER 36 -0.744 9.510 0.020
249 HG SER 36 HG SER 36 1.897 8.686 0.565
250 H GLY 37 H GLY 37 1.725 11.882 -2.856
251 HA2 GLY 37 1HA GLY 37 3.977 12.746 -2.111
252 HA3 GLY 37 2HA GLY 37 4.471 11.060 -2.142
253 H GLU 38 H GLU 38 5.851 10.841 -3.780
254 HA GLU 38 HA GLU 38 5.025 11.876 -6.411
255 HB2 GLU 38 1HB GLU 38 7.414 12.219 -6.941
256 HB3 GLU 38 2HB GLU 38 6.871 13.222 -5.604
257 HG2 GLU 38 1HG GLU 38 8.132 10.591 -5.017
258 HG3 GLU 38 2HG GLU 38 9.149 11.949 -5.492
259 H ARG 39 H ARG 39 5.941 10.688 -8.251
260 HA ARG 39 HA ARG 39 6.906 8.001 -7.723
261 HB2 ARG 39 1HB ARG 39 5.069 7.111 -9.311
262 HB3 ARG 39 2HB ARG 39 4.654 7.413 -7.629
263 HG2 ARG 39 1HG ARG 39 3.741 9.622 -8.316
264 HG3 ARG 39 2HG ARG 39 4.030 9.163 -9.995
265 HD2 ARG 39 1HD ARG 39 2.375 7.497 -8.116
266 HD3 ARG 39 2HD ARG 39 1.685 8.790 -9.097
267 HE ARG 39 HE ARG 39 1.942 7.477 -10.977
268 HH11 ARG 39 1HH1 ARG 39 3.541 6.008 -8.256
269 HH12 ARG 39 2HH1 ARG 39 3.794 4.492 -9.056
270 HH21 ARG 39 1HH2 ARG 39 2.269 5.486 -12.042
271 HH22 ARG 39 2HH2 ARG 39 3.071 4.197 -11.210
272 HA PRO 40 HA PRO 40 9.079 8.647 -11.483
273 HB2 PRO 40 1HB PRO 40 9.373 6.092 -12.353
274 HB3 PRO 40 2HB PRO 40 10.268 6.747 -10.977
275 HG2 PRO 40 1HG PRO 40 7.807 5.043 -10.998
276 HG3 PRO 40 2HG PRO 40 9.242 4.924 -9.962
277 HD2 PRO 40 1HD PRO 40 6.934 6.068 -9.128
278 HD3 PRO 40 2HD PRO 40 8.527 6.611 -8.564
279 H SER 41 H SER 41 5.903 7.756 -11.415
280 HA SER 41 HA SER 41 5.058 6.673 -13.699
281 HB2 SER 41 1HB SER 41 3.778 8.079 -11.851
282 HB3 SER 41 2HB SER 41 3.844 9.334 -13.088
283 HG SER 41 HG SER 41 2.202 8.349 -13.934
284 H GLY 42 H GLY 42 5.312 6.929 -15.823
285 HA2 GLY 42 1HA GLY 42 6.009 7.802 -17.828
286 HA3 GLY 42 2HA GLY 42 5.391 9.332 -17.222
287 HA PRO 43 HA PRO 43 10.121 9.301 -17.673
288 HB2 PRO 43 1HB PRO 43 10.300 10.896 -19.863
289 HB3 PRO 43 2HB PRO 43 10.196 9.134 -19.963
290 HG2 PRO 43 1HG PRO 43 8.041 11.182 -20.315
291 HG3 PRO 43 2HG PRO 43 8.364 9.723 -21.270
292 HD2 PRO 43 1HD PRO 43 6.430 9.826 -19.377
293 HD3 PRO 43 2HD PRO 43 7.333 8.341 -19.741
294 H SER 44 H SER 44 11.406 11.522 -18.153
295 HA SER 44 HA SER 44 9.958 13.762 -16.943
296 HB2 SER 44 1HB SER 44 12.443 12.455 -15.859
297 HB3 SER 44 2HB SER 44 12.096 14.154 -15.534
298 HG SER 44 HG SER 44 11.176 12.103 -14.224
299 H SER 45 H SER 45 11.584 15.728 -16.850
300 HA SER 45 HA SER 45 12.555 16.038 -19.579
301 HB2 SER 45 1HB SER 45 12.790 18.459 -18.897
302 HB3 SER 45 2HB SER 45 11.148 17.821 -18.813
303 HG SER 45 HG SER 45 11.724 19.021 -16.941
304 H GLY 46 H GLY 46 14.116 14.320 -18.029
305 HA2 GLY 46 1HA GLY 46 16.689 15.408 -18.426
306 HA3 GLY 46 2HA GLY 46 16.289 15.494 -16.717
Start of MODEL 4
1 H1 GLY 1 H GLY 1 4.295 -4.383 -30.715
2 HA2 GLY 1 1HA GLY 1 1.649 -3.518 -29.773
3 HA3 GLY 1 2HA GLY 1 1.900 -5.214 -30.156
4 H SER 2 H SER 2 1.078 -4.496 -27.651
5 HA SER 2 HA SER 2 3.504 -4.810 -26.008
6 HB2 SER 2 1HB SER 2 1.920 -2.766 -25.699
7 HB3 SER 2 2HB SER 2 0.857 -3.921 -24.896
8 HG SER 2 HG SER 2 2.149 -3.941 -23.235
9 H SER 3 H SER 3 3.296 -6.166 -24.090
10 HA SER 3 HA SER 3 1.197 -8.210 -24.277
11 HB2 SER 3 1HB SER 3 4.173 -8.654 -24.306
12 HB3 SER 3 2HB SER 3 3.081 -9.893 -23.687
13 HG SER 3 HG SER 3 2.523 -8.744 -26.176
14 H GLY 4 H GLY 4 0.193 -8.347 -22.391
15 HA2 GLY 4 1HA GLY 4 1.215 -8.985 -19.957
16 HA3 GLY 4 2HA GLY 4 1.360 -7.234 -20.001
17 H SER 5 H SER 5 -1.198 -9.318 -21.305
18 HA SER 5 HA SER 5 -3.076 -8.029 -19.435
19 HB2 SER 5 1HB SER 5 -3.648 -8.778 -22.312
20 HB3 SER 5 2HB SER 5 -4.766 -7.999 -21.193
21 HG SER 5 HG SER 5 -3.738 -6.498 -22.594
22 H SER 6 H SER 6 -3.841 -9.487 -18.068
23 HA SER 6 HA SER 6 -5.072 -11.899 -18.986
24 HB2 SER 6 1HB SER 6 -2.451 -12.049 -17.500
25 HB3 SER 6 2HB SER 6 -3.609 -13.378 -17.497
26 HG SER 6 HG SER 6 -3.437 -12.877 -19.966
27 H GLY 7 H GLY 7 -6.040 -13.142 -17.180
28 HA2 GLY 7 1HA GLY 7 -6.115 -11.946 -14.566
29 HA3 GLY 7 2HA GLY 7 -7.571 -11.632 -15.500
30 H THR 8 H THR 8 -5.513 -14.214 -14.234
31 HA THR 8 HA THR 8 -7.548 -16.220 -14.680
32 HB THR 8 HB THR 8 -5.192 -16.847 -14.894
33 HG1 THR 8 HG1 THR 8 -5.354 -18.737 -13.662
34 HG21 THR 8 3HG2 THR 8 -4.296 -15.300 -13.188
35 HG22 THR 8 1HG2 THR 8 -3.723 -16.952 -12.965
36 HG23 THR 8 2HG2 THR 8 -4.998 -16.314 -11.928
37 H GLY 9 H GLY 9 -8.537 -14.166 -13.091
38 HA2 GLY 9 1HA GLY 9 -10.100 -14.912 -11.250
39 HA3 GLY 9 2HA GLY 9 -8.636 -15.402 -10.410
40 H GLU 10 H GLU 10 -10.815 -13.363 -9.860
41 HA GLU 10 HA GLU 10 -9.376 -10.849 -9.894
42 HB2 GLU 10 1HB GLU 10 -12.041 -11.522 -8.635
43 HB3 GLU 10 2HB GLU 10 -11.390 -9.909 -8.890
44 HG2 GLU 10 1HG GLU 10 -11.403 -10.378 -11.342
45 HG3 GLU 10 2HG GLU 10 -12.258 -11.879 -10.988
46 H LYS 11 H LYS 11 -8.014 -10.241 -8.361
47 HA LYS 11 HA LYS 11 -7.491 -11.748 -6.047
48 HB2 LYS 11 1HB LYS 11 -6.768 -8.875 -6.652
49 HB3 LYS 11 2HB LYS 11 -6.058 -9.854 -5.376
50 HG2 LYS 11 1HG LYS 11 -4.832 -11.121 -6.838
51 HG3 LYS 11 2HG LYS 11 -5.945 -10.847 -8.180
52 HD2 LYS 11 1HD LYS 11 -5.103 -8.691 -8.580
53 HD3 LYS 11 2HD LYS 11 -4.300 -8.622 -7.009
54 HE2 LYS 11 1HE LYS 11 -2.521 -9.037 -8.408
55 HE3 LYS 11 2HE LYS 11 -2.968 -10.673 -7.925
56 HZ1 LYS 11 3HZ LYS 11 -2.930 -11.013 -10.133
57 HZ2 LYS 11 1HZ LYS 11 -3.179 -9.384 -10.517
58 HZ3 LYS 11 2HZ LYS 11 -4.490 -10.360 -10.082
59 HA PRO 12 HA PRO 12 -10.460 -10.340 -3.130
60 HB2 PRO 12 1HB PRO 12 -9.045 -10.603 -0.828
61 HB3 PRO 12 2HB PRO 12 -9.672 -11.986 -1.733
62 HG2 PRO 12 1HG PRO 12 -6.911 -10.828 -1.712
63 HG3 PRO 12 2HG PRO 12 -7.411 -12.529 -1.676
64 HD2 PRO 12 1HD PRO 12 -6.561 -11.310 -3.939
65 HD3 PRO 12 2HD PRO 12 -7.779 -12.601 -3.950
66 H TYR 13 H TYR 13 -7.185 -9.018 -2.680
67 HA TYR 13 HA TYR 13 -8.259 -6.625 -1.431
68 HB2 TYR 13 1HB TYR 13 -5.374 -6.990 -2.170
69 HB3 TYR 13 2HB TYR 13 -6.069 -6.100 -0.820
70 HD1 TYR 13 HD2 TYR 13 -7.997 -8.547 -0.177
71 HD2 TYR 13 HD1 TYR 13 -3.793 -8.097 -0.654
72 HE1 TYR 13 HE2 TYR 13 -7.629 -10.484 1.293
73 HE2 TYR 13 HE1 TYR 13 -3.413 -10.034 0.813
74 HH TYR 13 HH TYR 13 -4.590 -12.007 1.598
75 H LYS 14 H LYS 14 -8.335 -4.620 -2.328
76 HA LYS 14 HA LYS 14 -7.095 -4.065 -4.877
77 HB2 LYS 14 1HB LYS 14 -8.923 -4.877 -5.979
78 HB3 LYS 14 2HB LYS 14 -9.995 -4.628 -4.608
79 HG2 LYS 14 1HG LYS 14 -9.990 -2.206 -5.089
80 HG3 LYS 14 2HG LYS 14 -9.003 -2.521 -6.517
81 HD2 LYS 14 1HD LYS 14 -11.538 -4.044 -6.201
82 HD3 LYS 14 2HD LYS 14 -11.642 -2.341 -6.656
83 HE2 LYS 14 1HE LYS 14 -10.319 -2.706 -8.606
84 HE3 LYS 14 2HE LYS 14 -9.910 -4.343 -8.094
85 HZ1 LYS 14 3HZ LYS 14 -11.993 -5.124 -8.627
86 HZ2 LYS 14 1HZ LYS 14 -11.751 -3.978 -9.848
87 HZ3 LYS 14 2HZ LYS 14 -12.727 -3.604 -8.519
88 H CYS 15 H CYS 15 -6.616 -1.951 -5.075
89 HA CYS 15 HA CYS 15 -6.870 -0.210 -2.902
90 HB2 CYS 15 1HB CYS 15 -5.302 -0.191 -5.041
91 HB3 CYS 15 2HB CYS 15 -6.535 0.909 -5.648
92 H GLN 16 H GLN 16 -7.832 2.076 -3.186
93 HA GLN 16 HA GLN 16 -10.540 1.846 -4.321
94 HB2 GLN 16 1HB GLN 16 -9.888 3.430 -1.843
95 HB3 GLN 16 2HB GLN 16 -11.473 2.969 -2.452
96 HG2 GLN 16 1HG GLN 16 -9.541 0.838 -1.690
97 HG3 GLN 16 2HG GLN 16 -10.395 1.722 -0.426
98 HE21 GLN 16 1HE2 GLN 16 -10.525 -0.836 -2.584
99 HE22 GLN 16 2HE2 GLN 16 -12.204 -1.213 -2.440
100 H VAL 17 H VAL 17 -7.667 3.692 -3.970
101 HA VAL 17 HA VAL 17 -8.840 6.168 -4.909
102 HB VAL 17 HB VAL 17 -6.399 6.901 -5.009
103 HG11 VAL 17 1HG1 VAL 17 -7.699 6.014 -2.444
104 HG12 VAL 17 2HG1 VAL 17 -6.237 7.001 -2.494
105 HG13 VAL 17 3HG1 VAL 17 -7.740 7.612 -3.188
106 HG21 VAL 17 3HG2 VAL 17 -5.510 4.570 -5.144
107 HG22 VAL 17 1HG2 VAL 17 -4.759 5.562 -3.894
108 HG23 VAL 17 2HG2 VAL 17 -5.966 4.355 -3.454
109 H CYS 18 H CYS 18 -6.776 3.592 -6.170
110 HA CYS 18 HA CYS 18 -7.029 4.780 -8.854
111 HB2 CYS 18 1HB CYS 18 -4.998 3.588 -9.464
112 HB3 CYS 18 2HB CYS 18 -4.705 4.571 -8.033
113 H GLY 19 H GLY 19 -7.525 1.938 -6.900
114 HA2 GLY 19 1HA GLY 19 -9.173 0.312 -7.376
115 HA3 GLY 19 2HA GLY 19 -9.110 0.779 -9.069
116 H LYS 20 H LYS 20 -6.128 0.271 -7.413
117 HA LYS 20 HA LYS 20 -5.302 -1.743 -9.218
118 HB2 LYS 20 1HB LYS 20 -4.175 -0.487 -6.761
119 HB3 LYS 20 2HB LYS 20 -3.476 -2.009 -7.298
120 HG2 LYS 20 1HG LYS 20 -3.819 0.227 -9.243
121 HG3 LYS 20 2HG LYS 20 -2.470 0.245 -8.105
122 HD2 LYS 20 1HD LYS 20 -2.144 -2.221 -8.959
123 HD3 LYS 20 2HD LYS 20 -3.035 -1.622 -10.360
124 HE2 LYS 20 1HE LYS 20 -0.734 -0.042 -9.308
125 HE3 LYS 20 2HE LYS 20 -0.416 -1.483 -10.271
126 HZ1 LYS 20 3HZ LYS 20 -1.037 1.048 -11.195
127 HZ2 LYS 20 1HZ LYS 20 -2.401 0.100 -11.514
128 HZ3 LYS 20 2HZ LYS 20 -0.889 -0.368 -12.109
129 H ALA 21 H ALA 21 -4.218 -3.815 -8.185
130 HA ALA 21 HA ALA 21 -5.857 -5.026 -6.116
131 HB1 ALA 21 3HB ALA 21 -5.905 -5.927 -8.976
132 HB2 ALA 21 1HB ALA 21 -6.245 -7.042 -7.652
133 HB3 ALA 21 2HB ALA 21 -7.258 -5.617 -7.887
134 H PHE 22 H PHE 22 -4.859 -6.717 -5.070
135 HA PHE 22 HA PHE 22 -2.407 -7.840 -6.144
136 HB2 PHE 22 1HB PHE 22 -2.266 -6.636 -3.396
137 HB3 PHE 22 2HB PHE 22 -0.950 -7.106 -4.467
138 HD1 PHE 22 HD2 PHE 22 -3.674 -4.627 -4.044
139 HD2 PHE 22 HD1 PHE 22 0.060 -5.544 -5.870
140 HE1 PHE 22 HE2 PHE 22 -3.493 -2.303 -4.831
141 HE2 PHE 22 HE1 PHE 22 0.247 -3.221 -6.660
142 HZ PHE 22 HZ PHE 22 -1.531 -1.598 -6.142
143 H ARG 23 H ARG 23 -2.639 -9.950 -5.870
144 HA ARG 23 HA ARG 23 -4.516 -11.204 -4.266
145 HB2 ARG 23 1HB ARG 23 -3.175 -13.267 -4.606
146 HB3 ARG 23 2HB ARG 23 -3.460 -12.373 -6.093
147 HG2 ARG 23 1HG ARG 23 -1.182 -11.373 -5.827
148 HG3 ARG 23 2HG ARG 23 -0.922 -12.490 -4.486
149 HD2 ARG 23 1HD ARG 23 -0.034 -13.732 -6.177
150 HD3 ARG 23 2HD ARG 23 -1.713 -14.259 -6.288
151 HE ARG 23 HE ARG 23 -1.685 -12.193 -7.983
152 HH11 ARG 23 1HH1 ARG 23 0.483 -14.890 -7.606
153 HH12 ARG 23 2HH1 ARG 23 0.928 -14.934 -9.280
154 HH21 ARG 23 1HH2 ARG 23 -1.107 -12.239 -10.189
155 HH22 ARG 23 2HH2 ARG 23 0.024 -13.425 -10.748
156 H VAL 24 H VAL 24 -1.493 -9.836 -3.399
157 HA VAL 24 HA VAL 24 -1.628 -11.132 -0.755
158 HB VAL 24 HB VAL 24 0.694 -10.933 -0.506
159 HG11 VAL 24 1HG1 VAL 24 -0.319 -12.408 -2.529
160 HG12 VAL 24 2HG1 VAL 24 0.871 -11.439 -3.401
161 HG13 VAL 24 3HG1 VAL 24 1.374 -12.439 -2.038
162 HG21 VAL 24 3HG2 VAL 24 2.138 -9.607 -1.928
163 HG22 VAL 24 1HG2 VAL 24 0.768 -9.157 -2.943
164 HG23 VAL 24 2HG2 VAL 24 0.852 -8.593 -1.274
165 H SER 25 H SER 25 -1.325 -9.860 1.101
166 HA SER 25 HA SER 25 -2.448 -7.251 0.948
167 HB2 SER 25 1HB SER 25 -2.827 -8.688 2.894
168 HB3 SER 25 2HB SER 25 -1.103 -8.661 3.267
169 HG SER 25 HG SER 25 -2.980 -6.916 3.989
170 H SER 26 H SER 26 0.787 -8.408 1.893
171 HA SER 26 HA SER 26 2.067 -6.079 2.445
172 HB2 SER 26 1HB SER 26 3.299 -8.100 2.646
173 HB3 SER 26 2HB SER 26 3.069 -8.498 0.943
174 HG SER 26 HG SER 26 4.675 -6.441 2.046
175 H HIS 27 H HIS 27 2.433 -7.509 -0.793
176 HA HIS 27 HA HIS 27 3.472 -5.486 -2.192
177 HB2 HIS 27 1HB HIS 27 1.157 -7.208 -3.100
178 HB3 HIS 27 2HB HIS 27 2.161 -6.239 -4.174
179 HD2 HIS 27 HD2 HIS 27 4.675 -7.600 -1.885
180 HE1 HIS 27 HE1 HIS 27 4.108 -10.701 -4.724
181 HE2 HIS 27 HE2 HIS 27 5.530 -9.852 -2.826
182 H LEU 28 H LEU 28 -0.041 -5.797 -1.663
183 HA LEU 28 HA LEU 28 -0.810 -3.420 -2.886
184 HB2 LEU 28 1HB LEU 28 -2.502 -4.951 -2.352
185 HB3 LEU 28 2HB LEU 28 -2.003 -5.044 -0.665
186 HG LEU 28 HG LEU 28 -2.856 -2.770 -0.299
187 HD11 LEU 28 1HD1 LEU 28 -2.537 -2.241 -2.837
188 HD12 LEU 28 2HD1 LEU 28 -3.828 -1.464 -1.920
189 HD13 LEU 28 3HD1 LEU 28 -4.192 -2.838 -2.965
190 HD21 LEU 28 3HD2 LEU 28 -5.124 -4.185 -1.592
191 HD22 LEU 28 1HD2 LEU 28 -5.011 -3.447 0.005
192 HD23 LEU 28 2HD2 LEU 28 -4.261 -5.015 -0.296
193 H VAL 29 H VAL 29 0.247 -4.034 0.428
194 HA VAL 29 HA VAL 29 -0.323 -1.530 1.529
195 HB VAL 29 HB VAL 29 1.907 -3.448 2.212
196 HG11 VAL 29 1HG1 VAL 29 1.699 -2.210 4.474
197 HG12 VAL 29 2HG1 VAL 29 2.628 -1.461 3.173
198 HG13 VAL 29 3HG1 VAL 29 0.985 -0.914 3.514
199 HG21 VAL 29 3HG2 VAL 29 -0.954 -3.239 2.931
200 HG22 VAL 29 1HG2 VAL 29 0.080 -4.660 2.784
201 HG23 VAL 29 2HG2 VAL 29 0.161 -3.656 4.232
202 H GLN 30 H GLN 30 2.709 -2.709 0.077
203 HA GLN 30 HA GLN 30 4.154 -0.325 0.345
204 HB2 GLN 30 1HB GLN 30 4.436 -2.469 -1.768
205 HB3 GLN 30 2HB GLN 30 5.638 -1.242 -1.391
206 HG2 GLN 30 1HG GLN 30 4.736 -3.543 0.310
207 HG3 GLN 30 2HG GLN 30 6.347 -3.214 -0.326
208 HE21 GLN 30 1HE2 GLN 30 3.944 -2.258 2.024
209 HE22 GLN 30 2HE2 GLN 30 5.025 -1.413 3.074
210 H HIS 31 H HIS 31 1.732 -1.294 -1.938
211 HA HIS 31 HA HIS 31 2.361 0.772 -3.852
212 HB2 HIS 31 1HB HIS 31 1.381 -0.959 -4.985
213 HB3 HIS 31 2HB HIS 31 0.350 -1.406 -3.629
214 HD1 HIS 31 HD1 HIS 31 0.557 1.119 -6.432
215 HD2 HIS 31 HD2 HIS 31 -2.205 -0.411 -3.731
216 HE1 HIS 31 HE1 HIS 31 -1.668 2.047 -7.147
217 H HIS 32 H HIS 32 0.505 0.493 -0.985
218 HA HIS 32 HA HIS 32 -1.417 2.521 -1.523
219 HB2 HIS 32 1HB HIS 32 -0.500 1.019 0.877
220 HB3 HIS 32 2HB HIS 32 -1.349 2.538 1.150
221 HD2 HIS 32 HD2 HIS 32 -2.340 -0.924 1.214
222 HE1 HIS 32 HE1 HIS 32 -5.550 0.915 -0.863
223 HE2 HIS 32 HE2 HIS 32 -4.803 -1.104 0.444
224 H SER 33 H SER 33 1.829 2.766 -1.335
225 HA SER 33 HA SER 33 1.735 5.459 -0.140
226 HB2 SER 33 1HB SER 33 4.165 5.186 0.286
227 HB3 SER 33 2HB SER 33 3.198 3.968 1.117
228 HG SER 33 HG SER 33 4.044 3.274 -1.418
229 H VAL 34 H VAL 34 1.473 4.179 -3.010
230 HA VAL 34 HA VAL 34 3.554 5.610 -4.433
231 HB VAL 34 HB VAL 34 2.783 4.587 -6.400
232 HG11 VAL 34 1HG1 VAL 34 3.719 2.758 -5.496
233 HG12 VAL 34 2HG1 VAL 34 2.837 2.935 -3.978
234 HG13 VAL 34 3HG1 VAL 34 2.059 2.178 -5.369
235 HG21 VAL 34 3HG2 VAL 34 0.199 3.974 -4.968
236 HG22 VAL 34 1HG2 VAL 34 0.433 5.206 -6.208
237 HG23 VAL 34 2HG2 VAL 34 0.599 3.499 -6.618
238 H HIS 35 H HIS 35 0.345 6.171 -3.368
239 HA HIS 35 HA HIS 35 -0.079 8.338 -5.283
240 HB2 HIS 35 1HB HIS 35 -1.993 7.591 -3.091
241 HB3 HIS 35 2HB HIS 35 -2.336 8.331 -4.651
242 HD1 HIS 35 HD1 HIS 35 -1.695 6.585 -6.754
243 HD2 HIS 35 HD2 HIS 35 -2.636 4.974 -3.042
244 HE1 HIS 35 HE1 HIS 35 -2.337 4.195 -7.202
245 H SER 36 H SER 36 1.976 8.466 -3.182
246 HA SER 36 HA SER 36 0.986 10.353 -1.231
247 HB2 SER 36 1HB SER 36 2.769 8.697 -0.687
248 HB3 SER 36 2HB SER 36 3.843 9.534 -1.808
249 HG SER 36 HG SER 36 2.573 10.883 0.324
250 H GLY 37 H GLY 37 2.536 12.357 -0.903
251 HA2 GLY 37 1HA GLY 37 2.501 13.786 -3.476
252 HA3 GLY 37 2HA GLY 37 2.397 14.540 -1.892
253 H GLU 38 H GLU 38 4.286 14.635 -4.363
254 HA GLU 38 HA GLU 38 6.761 14.607 -2.768
255 HB2 GLU 38 1HB GLU 38 6.569 13.917 -5.704
256 HB3 GLU 38 2HB GLU 38 8.014 13.868 -4.704
257 HG2 GLU 38 1HG GLU 38 5.686 12.215 -3.890
258 HG3 GLU 38 2HG GLU 38 6.646 11.694 -5.274
259 H ARG 39 H ARG 39 4.599 16.557 -4.110
260 HA ARG 39 HA ARG 39 6.565 18.664 -4.557
261 HB2 ARG 39 1HB ARG 39 4.603 17.676 -6.596
262 HB3 ARG 39 2HB ARG 39 5.057 19.375 -6.574
263 HG2 ARG 39 1HG ARG 39 7.373 18.809 -6.916
264 HG3 ARG 39 2HG ARG 39 7.001 17.088 -6.798
265 HD2 ARG 39 1HD ARG 39 5.874 17.070 -8.843
266 HD3 ARG 39 2HD ARG 39 5.671 18.822 -8.849
267 HE ARG 39 HE ARG 39 7.710 19.004 -9.854
268 HH11 ARG 39 1HH1 ARG 39 7.477 15.869 -8.359
269 HH12 ARG 39 2HH1 ARG 39 8.977 15.300 -9.016
270 HH21 ARG 39 1HH2 ARG 39 9.686 18.267 -10.724
271 HH22 ARG 39 2HH2 ARG 39 10.232 16.665 -10.360
272 HA PRO 40 HA PRO 40 3.699 21.155 -2.357
273 HB2 PRO 40 1HB PRO 40 4.175 23.598 -3.441
274 HB3 PRO 40 2HB PRO 40 5.309 22.794 -2.349
275 HG2 PRO 40 1HG PRO 40 5.347 22.953 -5.339
276 HG3 PRO 40 2HG PRO 40 6.688 23.129 -4.191
277 HD2 PRO 40 1HD PRO 40 6.234 20.838 -5.561
278 HD3 PRO 40 2HD PRO 40 6.926 20.851 -3.926
279 H SER 41 H SER 41 2.002 22.950 -2.752
280 HA SER 41 HA SER 41 -0.109 23.315 -3.555
281 HB2 SER 41 1HB SER 41 -0.168 24.238 -5.761
282 HB3 SER 41 2HB SER 41 1.409 24.646 -5.086
283 HG SER 41 HG SER 41 0.858 22.483 -6.843
284 H GLY 42 H GLY 42 0.414 20.581 -3.169
285 HA2 GLY 42 1HA GLY 42 -0.807 18.649 -3.558
286 HA3 GLY 42 2HA GLY 42 -1.609 19.463 -4.893
287 HA PRO 43 HA PRO 43 1.679 16.343 -6.330
288 HB2 PRO 43 1HB PRO 43 0.003 14.394 -7.203
289 HB3 PRO 43 2HB PRO 43 0.648 14.441 -5.558
290 HG2 PRO 43 1HG PRO 43 -2.028 15.324 -6.569
291 HG3 PRO 43 2HG PRO 43 -1.632 14.415 -5.099
292 HD2 PRO 43 1HD PRO 43 -2.153 17.072 -5.073
293 HD3 PRO 43 2HD PRO 43 -1.016 16.311 -3.942
294 H SER 44 H SER 44 1.888 15.519 -8.583
295 HA SER 44 HA SER 44 0.966 17.514 -10.433
296 HB2 SER 44 1HB SER 44 3.241 16.580 -10.587
297 HB3 SER 44 2HB SER 44 2.563 14.989 -10.932
298 HG SER 44 HG SER 44 3.239 16.566 -12.734
299 H SER 45 H SER 45 -0.616 17.376 -11.919
300 HA SER 45 HA SER 45 -1.688 14.939 -12.900
301 HB2 SER 45 1HB SER 45 -3.911 15.040 -11.885
302 HB3 SER 45 2HB SER 45 -2.678 14.877 -10.634
303 HG SER 45 HG SER 45 -4.519 16.755 -10.856
304 H GLY 46 H GLY 46 -3.903 15.436 -14.043
305 HA2 GLY 46 1HA GLY 46 -5.141 16.760 -15.482
306 HA3 GLY 46 2HA GLY 46 -4.279 18.165 -14.872
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.035 -0.058 -24.194
2 HA2 GLY 1 1HA GLY 1 -7.442 -1.301 -24.863
3 HA3 GLY 1 2HA GLY 1 -7.996 -1.191 -23.199
4 H SER 2 H SER 2 -7.763 -3.518 -23.159
5 HA SER 2 HA SER 2 -9.870 -4.958 -24.617
6 HB2 SER 2 1HB SER 2 -7.725 -5.930 -25.031
7 HB3 SER 2 2HB SER 2 -7.312 -5.907 -23.316
8 HG SER 2 HG SER 2 -8.569 -7.615 -22.968
9 H SER 3 H SER 3 -11.674 -4.790 -23.394
10 HA SER 3 HA SER 3 -11.480 -5.437 -20.534
11 HB2 SER 3 1HB SER 3 -12.581 -3.268 -21.321
12 HB3 SER 3 2HB SER 3 -13.891 -4.278 -21.932
13 HG SER 3 HG SER 3 -14.499 -3.759 -19.903
14 H GLY 4 H GLY 4 -13.017 -6.883 -19.587
15 HA2 GLY 4 1HA GLY 4 -15.024 -8.326 -20.635
16 HA3 GLY 4 2HA GLY 4 -13.621 -9.117 -21.336
17 H SER 5 H SER 5 -15.310 -10.557 -19.760
18 HA SER 5 HA SER 5 -14.065 -10.692 -17.112
19 HB2 SER 5 1HB SER 5 -16.431 -10.720 -16.950
20 HB3 SER 5 2HB SER 5 -16.586 -11.884 -18.266
21 HG SER 5 HG SER 5 -16.371 -12.363 -15.661
22 H SER 6 H SER 6 -12.085 -11.628 -17.655
23 HA SER 6 HA SER 6 -12.243 -14.497 -18.225
24 HB2 SER 6 1HB SER 6 -10.600 -14.456 -19.918
25 HB3 SER 6 2HB SER 6 -11.672 -13.114 -20.319
26 HG SER 6 HG SER 6 -9.159 -12.909 -20.133
27 H GLY 7 H GLY 7 -10.713 -15.740 -17.197
28 HA2 GLY 7 1HA GLY 7 -8.333 -15.504 -16.217
29 HA3 GLY 7 2HA GLY 7 -9.109 -14.312 -15.185
30 H THR 8 H THR 8 -8.029 -16.027 -13.686
31 HA THR 8 HA THR 8 -9.708 -18.366 -13.260
32 HB THR 8 HB THR 8 -7.260 -18.598 -13.069
33 HG1 THR 8 HG1 THR 8 -7.471 -19.980 -11.425
34 HG21 THR 8 3HG2 THR 8 -7.452 -16.961 -10.548
35 HG22 THR 8 1HG2 THR 8 -6.942 -16.279 -12.091
36 HG23 THR 8 2HG2 THR 8 -6.001 -17.570 -11.343
37 H GLY 9 H GLY 9 -8.818 -15.366 -11.598
38 HA2 GLY 9 1HA GLY 9 -11.305 -15.068 -10.337
39 HA3 GLY 9 2HA GLY 9 -10.213 -15.848 -9.203
40 H GLU 10 H GLU 10 -11.505 -13.029 -9.652
41 HA GLU 10 HA GLU 10 -9.342 -11.218 -9.889
42 HB2 GLU 10 1HB GLU 10 -12.172 -11.014 -8.936
43 HB3 GLU 10 2HB GLU 10 -11.067 -9.678 -8.645
44 HG2 GLU 10 1HG GLU 10 -11.305 -10.805 -11.392
45 HG3 GLU 10 2HG GLU 10 -12.560 -9.729 -10.780
46 H LYS 11 H LYS 11 -7.958 -10.408 -8.424
47 HA LYS 11 HA LYS 11 -7.320 -11.702 -6.089
48 HB2 LYS 11 1HB LYS 11 -6.878 -8.817 -6.863
49 HB3 LYS 11 2HB LYS 11 -6.157 -9.553 -5.437
50 HG2 LYS 11 1HG LYS 11 -4.687 -10.799 -6.649
51 HG3 LYS 11 2HG LYS 11 -5.759 -10.907 -8.047
52 HD2 LYS 11 1HD LYS 11 -5.319 -8.508 -8.505
53 HD3 LYS 11 2HD LYS 11 -4.157 -8.502 -7.177
54 HE2 LYS 11 1HE LYS 11 -2.772 -10.102 -8.304
55 HE3 LYS 11 2HE LYS 11 -3.986 -10.339 -9.560
56 HZ1 LYS 11 3HZ LYS 11 -2.233 -8.009 -9.109
57 HZ2 LYS 11 1HZ LYS 11 -3.669 -7.852 -9.989
58 HZ3 LYS 11 2HZ LYS 11 -2.461 -8.908 -10.524
59 HA PRO 12 HA PRO 12 -10.367 -10.609 -3.110
60 HB2 PRO 12 1HB PRO 12 -8.910 -10.922 -0.841
61 HB3 PRO 12 2HB PRO 12 -9.487 -12.285 -1.808
62 HG2 PRO 12 1HG PRO 12 -6.781 -11.006 -1.761
63 HG3 PRO 12 2HG PRO 12 -7.204 -12.727 -1.804
64 HD2 PRO 12 1HD PRO 12 -6.440 -11.358 -4.012
65 HD3 PRO 12 2HD PRO 12 -7.599 -12.701 -4.075
66 H TYR 13 H TYR 13 -7.241 -9.007 -3.088
67 HA TYR 13 HA TYR 13 -8.404 -6.750 -1.606
68 HB2 TYR 13 1HB TYR 13 -5.483 -6.976 -2.233
69 HB3 TYR 13 2HB TYR 13 -6.271 -6.175 -0.879
70 HD1 TYR 13 HD2 TYR 13 -8.071 -8.481 -0.060
71 HD2 TYR 13 HD1 TYR 13 -3.936 -8.321 -1.049
72 HE1 TYR 13 HE2 TYR 13 -7.664 -10.457 1.347
73 HE2 TYR 13 HE1 TYR 13 -3.518 -10.297 0.355
74 HH TYR 13 HH TYR 13 -4.412 -11.855 1.655
75 H LYS 14 H LYS 14 -8.451 -4.711 -2.456
76 HA LYS 14 HA LYS 14 -7.166 -4.105 -4.969
77 HB2 LYS 14 1HB LYS 14 -9.114 -5.181 -5.855
78 HB3 LYS 14 2HB LYS 14 -10.169 -4.311 -4.749
79 HG2 LYS 14 1HG LYS 14 -9.119 -2.217 -5.985
80 HG3 LYS 14 2HG LYS 14 -8.895 -3.409 -7.268
81 HD2 LYS 14 1HD LYS 14 -11.417 -3.972 -6.664
82 HD3 LYS 14 2HD LYS 14 -11.398 -2.295 -6.114
83 HE2 LYS 14 1HE LYS 14 -10.515 -1.636 -8.340
84 HE3 LYS 14 2HE LYS 14 -10.700 -3.308 -8.868
85 HZ1 LYS 14 3HZ LYS 14 -13.053 -3.161 -8.535
86 HZ2 LYS 14 1HZ LYS 14 -12.572 -1.863 -9.508
87 HZ3 LYS 14 2HZ LYS 14 -12.923 -1.610 -7.873
88 H CYS 15 H CYS 15 -6.619 -2.015 -5.031
89 HA CYS 15 HA CYS 15 -6.976 -0.306 -2.868
90 HB2 CYS 15 1HB CYS 15 -5.354 -0.239 -4.971
91 HB3 CYS 15 2HB CYS 15 -6.573 0.877 -5.577
92 H GLN 16 H GLN 16 -7.907 2.023 -3.233
93 HA GLN 16 HA GLN 16 -10.598 1.781 -4.402
94 HB2 GLN 16 1HB GLN 16 -9.975 3.317 -1.882
95 HB3 GLN 16 2HB GLN 16 -11.559 2.946 -2.551
96 HG2 GLN 16 1HG GLN 16 -9.718 0.741 -1.735
97 HG3 GLN 16 2HG GLN 16 -10.673 1.602 -0.528
98 HE21 GLN 16 1HE2 GLN 16 -10.654 -0.814 -2.903
99 HE22 GLN 16 2HE2 GLN 16 -12.334 -1.214 -2.855
100 H VAL 17 H VAL 17 -7.784 3.719 -3.814
101 HA VAL 17 HA VAL 17 -8.924 6.165 -4.818
102 HB VAL 17 HB VAL 17 -6.529 6.954 -4.815
103 HG11 VAL 17 1HG1 VAL 17 -7.837 5.867 -2.339
104 HG12 VAL 17 2HG1 VAL 17 -6.350 6.815 -2.276
105 HG13 VAL 17 3HG1 VAL 17 -7.822 7.525 -2.939
106 HG21 VAL 17 3HG2 VAL 17 -6.008 4.303 -3.476
107 HG22 VAL 17 1HG2 VAL 17 -5.534 4.701 -5.128
108 HG23 VAL 17 2HG2 VAL 17 -4.842 5.592 -3.772
109 H CYS 18 H CYS 18 -6.824 3.611 -6.064
110 HA CYS 18 HA CYS 18 -7.019 4.833 -8.737
111 HB2 CYS 18 1HB CYS 18 -4.961 3.723 -9.319
112 HB3 CYS 18 2HB CYS 18 -4.713 4.592 -7.808
113 H GLY 19 H GLY 19 -7.508 1.943 -6.840
114 HA2 GLY 19 1HA GLY 19 -9.127 0.304 -7.358
115 HA3 GLY 19 2HA GLY 19 -9.079 0.822 -9.037
116 H LYS 20 H LYS 20 -6.126 0.242 -7.307
117 HA LYS 20 HA LYS 20 -5.270 -1.694 -9.208
118 HB2 LYS 20 1HB LYS 20 -4.138 -0.445 -6.758
119 HB3 LYS 20 2HB LYS 20 -3.438 -1.972 -7.277
120 HG2 LYS 20 1HG LYS 20 -3.762 0.325 -9.174
121 HG3 LYS 20 2HG LYS 20 -2.361 0.188 -8.109
122 HD2 LYS 20 1HD LYS 20 -3.176 -2.124 -9.824
123 HD3 LYS 20 2HD LYS 20 -2.252 -0.790 -10.519
124 HE2 LYS 20 1HE LYS 20 -0.730 -1.183 -8.410
125 HE3 LYS 20 2HE LYS 20 -1.458 -2.788 -8.453
126 HZ1 LYS 20 3HZ LYS 20 -0.595 -1.977 -11.038
127 HZ2 LYS 20 1HZ LYS 20 -0.175 -3.356 -10.153
128 HZ3 LYS 20 2HZ LYS 20 0.684 -1.915 -9.933
129 H ALA 21 H ALA 21 -4.145 -3.769 -8.214
130 HA ALA 21 HA ALA 21 -5.788 -5.042 -6.179
131 HB1 ALA 21 3HB ALA 21 -6.308 -6.977 -7.600
132 HB2 ALA 21 1HB ALA 21 -7.043 -5.492 -8.205
133 HB3 ALA 21 2HB ALA 21 -5.597 -6.140 -8.981
134 H PHE 22 H PHE 22 -4.767 -6.710 -5.122
135 HA PHE 22 HA PHE 22 -2.260 -7.756 -6.146
136 HB2 PHE 22 1HB PHE 22 -2.250 -6.531 -3.398
137 HB3 PHE 22 2HB PHE 22 -0.878 -7.029 -4.382
138 HD1 PHE 22 HD2 PHE 22 -3.559 -4.504 -4.066
139 HD2 PHE 22 HD1 PHE 22 0.156 -5.535 -5.870
140 HE1 PHE 22 HE2 PHE 22 -3.328 -2.201 -4.899
141 HE2 PHE 22 HE1 PHE 22 0.394 -3.233 -6.705
142 HZ PHE 22 HZ PHE 22 -1.350 -1.563 -6.221
143 H ARG 23 H ARG 23 -2.660 -9.866 -6.000
144 HA ARG 23 HA ARG 23 -4.468 -11.174 -4.414
145 HB2 ARG 23 1HB ARG 23 -2.925 -13.193 -4.684
146 HB3 ARG 23 2HB ARG 23 -3.485 -12.412 -6.157
147 HG2 ARG 23 1HG ARG 23 -1.340 -11.201 -6.292
148 HG3 ARG 23 2HG ARG 23 -0.784 -12.085 -4.869
149 HD2 ARG 23 1HD ARG 23 -1.369 -14.197 -6.220
150 HD3 ARG 23 2HD ARG 23 -1.384 -13.122 -7.618
151 HE ARG 23 HE ARG 23 0.891 -13.146 -7.572
152 HH11 ARG 23 1HH1 ARG 23 -0.282 -14.007 -4.410
153 HH12 ARG 23 2HH1 ARG 23 1.295 -14.333 -3.771
154 HH21 ARG 23 1HH2 ARG 23 2.973 -13.572 -6.743
155 HH22 ARG 23 2HH2 ARG 23 3.146 -14.085 -5.098
156 H VAL 24 H VAL 24 -1.504 -9.756 -3.456
157 HA VAL 24 HA VAL 24 -1.633 -11.134 -0.854
158 HB VAL 24 HB VAL 24 0.684 -10.720 -0.533
159 HG11 VAL 24 1HG1 VAL 24 -0.282 -12.170 -2.771
160 HG12 VAL 24 2HG1 VAL 24 1.256 -11.430 -3.222
161 HG13 VAL 24 3HG1 VAL 24 1.160 -12.475 -1.803
162 HG21 VAL 24 3HG2 VAL 24 2.052 -9.362 -1.933
163 HG22 VAL 24 1HG2 VAL 24 0.758 -9.174 -3.117
164 HG23 VAL 24 2HG2 VAL 24 0.619 -8.415 -1.531
165 H SER 25 H SER 25 -1.195 -9.861 1.050
166 HA SER 25 HA SER 25 -2.504 -7.300 0.943
167 HB2 SER 25 1HB SER 25 -2.990 -8.733 2.822
168 HB3 SER 25 2HB SER 25 -1.279 -8.856 3.231
169 HG SER 25 HG SER 25 -2.549 -6.345 3.142
170 H SER 26 H SER 26 0.756 -8.481 1.665
171 HA SER 26 HA SER 26 1.950 -6.115 2.463
172 HB2 SER 26 1HB SER 26 3.231 -8.092 2.679
173 HB3 SER 26 2HB SER 26 3.037 -8.502 0.975
174 HG SER 26 HG SER 26 4.498 -6.291 1.996
175 H HIS 27 H HIS 27 2.414 -7.473 -0.797
176 HA HIS 27 HA HIS 27 3.484 -5.397 -2.110
177 HB2 HIS 27 1HB HIS 27 1.246 -7.153 -3.138
178 HB3 HIS 27 2HB HIS 27 2.262 -6.136 -4.155
179 HD2 HIS 27 HD2 HIS 27 4.623 -7.589 -1.692
180 HE1 HIS 27 HE1 HIS 27 4.420 -10.456 -4.812
181 HE2 HIS 27 HE2 HIS 27 5.621 -9.745 -2.716
182 H LEU 28 H LEU 28 -0.021 -5.777 -1.609
183 HA LEU 28 HA LEU 28 -0.845 -3.433 -2.863
184 HB2 LEU 28 1HB LEU 28 -2.571 -4.864 -2.343
185 HB3 LEU 28 2HB LEU 28 -1.973 -5.160 -0.712
186 HG LEU 28 HG LEU 28 -2.746 -2.911 -0.052
187 HD11 LEU 28 1HD1 LEU 28 -2.778 -1.559 -1.903
188 HD12 LEU 28 2HD1 LEU 28 -4.489 -1.958 -1.756
189 HD13 LEU 28 3HD1 LEU 28 -3.486 -2.801 -2.936
190 HD21 LEU 28 3HD2 LEU 28 -4.152 -5.043 0.064
191 HD22 LEU 28 1HD2 LEU 28 -5.023 -4.395 -1.327
192 HD23 LEU 28 2HD2 LEU 28 -4.999 -3.500 0.193
193 H VAL 29 H VAL 29 0.306 -3.974 0.424
194 HA VAL 29 HA VAL 29 -0.331 -1.474 1.513
195 HB VAL 29 HB VAL 29 1.970 -3.313 2.182
196 HG11 VAL 29 1HG1 VAL 29 1.224 -1.799 4.424
197 HG12 VAL 29 2HG1 VAL 29 2.734 -1.709 3.515
198 HG13 VAL 29 3HG1 VAL 29 1.384 -0.656 3.090
199 HG21 VAL 29 3HG2 VAL 29 0.322 -4.613 2.949
200 HG22 VAL 29 1HG2 VAL 29 0.121 -3.408 4.221
201 HG23 VAL 29 2HG2 VAL 29 -0.881 -3.335 2.771
202 H GLN 30 H GLN 30 2.827 -2.573 0.259
203 HA GLN 30 HA GLN 30 4.150 -0.143 0.398
204 HB2 GLN 30 1HB GLN 30 4.511 -2.333 -1.654
205 HB3 GLN 30 2HB GLN 30 5.666 -1.049 -1.325
206 HG2 GLN 30 1HG GLN 30 4.836 -3.287 0.499
207 HG3 GLN 30 2HG GLN 30 6.422 -3.003 -0.217
208 HE21 GLN 30 1HE2 GLN 30 4.077 -1.766 2.088
209 HE22 GLN 30 2HE2 GLN 30 5.214 -0.919 3.074
210 H HIS 31 H HIS 31 1.723 -1.197 -1.818
211 HA HIS 31 HA HIS 31 2.311 0.784 -3.828
212 HB2 HIS 31 1HB HIS 31 1.284 -0.993 -4.848
213 HB3 HIS 31 2HB HIS 31 0.273 -1.351 -3.451
214 HD1 HIS 31 HD1 HIS 31 0.483 1.102 -6.328
215 HD2 HIS 31 HD2 HIS 31 -2.279 -0.390 -3.608
216 HE1 HIS 31 HE1 HIS 31 -1.742 2.017 -7.060
217 H HIS 32 H HIS 32 0.426 0.589 -0.944
218 HA HIS 32 HA HIS 32 -1.425 2.663 -1.522
219 HB2 HIS 32 1HB HIS 32 -0.518 1.261 0.961
220 HB3 HIS 32 2HB HIS 32 -1.467 2.737 1.110
221 HD2 HIS 32 HD2 HIS 32 -2.314 -0.701 1.461
222 HE1 HIS 32 HE1 HIS 32 -5.426 0.695 -1.062
223 HE2 HIS 32 HE2 HIS 32 -4.695 -1.109 0.536
224 H SER 33 H SER 33 1.849 2.791 -1.213
225 HA SER 33 HA SER 33 1.808 5.518 -0.102
226 HB2 SER 33 1HB SER 33 4.013 5.217 0.666
227 HB3 SER 33 2HB SER 33 3.233 3.672 1.004
228 HG SER 33 HG SER 33 5.362 4.176 -0.542
229 H VAL 34 H VAL 34 1.626 4.115 -2.963
230 HA VAL 34 HA VAL 34 3.721 5.536 -4.369
231 HB VAL 34 HB VAL 34 3.014 4.450 -6.325
232 HG11 VAL 34 1HG1 VAL 34 4.014 2.771 -5.110
233 HG12 VAL 34 2HG1 VAL 34 2.753 2.765 -3.875
234 HG13 VAL 34 3HG1 VAL 34 2.443 2.051 -5.458
235 HG21 VAL 34 3HG2 VAL 34 0.828 4.578 -6.784
236 HG22 VAL 34 1HG2 VAL 34 0.679 3.072 -5.880
237 HG23 VAL 34 2HG2 VAL 34 0.383 4.614 -5.078
238 H HIS 35 H HIS 35 0.457 6.074 -3.439
239 HA HIS 35 HA HIS 35 -0.038 8.095 -5.456
240 HB2 HIS 35 1HB HIS 35 -1.717 7.521 -3.016
241 HB3 HIS 35 2HB HIS 35 -2.221 8.290 -4.518
242 HD1 HIS 35 HD1 HIS 35 -1.633 6.448 -6.676
243 HD2 HIS 35 HD2 HIS 35 -2.718 5.026 -2.926
244 HE1 HIS 35 HE1 HIS 35 -2.483 4.112 -7.062
245 H SER 36 H SER 36 0.641 7.939 -1.992
246 HA SER 36 HA SER 36 0.234 10.445 -1.100
247 HB2 SER 36 1HB SER 36 2.469 8.518 -0.590
248 HB3 SER 36 2HB SER 36 2.542 10.128 0.127
249 HG SER 36 HG SER 36 0.753 9.705 1.295
250 H GLY 37 H GLY 37 3.265 9.474 -2.723
251 HA2 GLY 37 1HA GLY 37 3.398 11.873 -4.251
252 HA3 GLY 37 2HA GLY 37 4.466 11.961 -2.858
253 H GLU 38 H GLU 38 3.620 9.594 -5.393
254 HA GLU 38 HA GLU 38 6.505 9.197 -5.828
255 HB2 GLU 38 1HB GLU 38 5.182 7.323 -4.574
256 HB3 GLU 38 2HB GLU 38 4.560 6.942 -6.174
257 HG2 GLU 38 1HG GLU 38 7.090 6.953 -6.832
258 HG3 GLU 38 2HG GLU 38 7.326 6.689 -5.105
259 H ARG 39 H ARG 39 6.411 10.619 -7.604
260 HA ARG 39 HA ARG 39 4.833 9.667 -9.899
261 HB2 ARG 39 1HB ARG 39 5.983 12.392 -9.287
262 HB3 ARG 39 2HB ARG 39 5.251 11.966 -10.829
263 HG2 ARG 39 1HG ARG 39 3.138 11.954 -9.984
264 HG3 ARG 39 2HG ARG 39 3.668 11.490 -8.366
265 HD2 ARG 39 1HD ARG 39 4.130 13.644 -7.751
266 HD3 ARG 39 2HD ARG 39 4.490 14.151 -9.401
267 HE ARG 39 HE ARG 39 1.901 14.118 -8.109
268 HH11 ARG 39 1HH1 ARG 39 3.664 14.300 -11.105
269 HH12 ARG 39 2HH1 ARG 39 2.365 15.047 -11.975
270 HH21 ARG 39 1HH2 ARG 39 0.184 15.101 -9.243
271 HH22 ARG 39 2HH2 ARG 39 0.386 15.503 -10.915
272 HA PRO 40 HA PRO 40 8.549 8.401 -11.898
273 HB2 PRO 40 1HB PRO 40 7.668 8.426 -14.466
274 HB3 PRO 40 2HB PRO 40 7.196 7.183 -13.301
275 HG2 PRO 40 1HG PRO 40 5.697 9.619 -14.183
276 HG3 PRO 40 2HG PRO 40 5.099 7.970 -13.926
277 HD2 PRO 40 1HD PRO 40 4.757 9.944 -12.104
278 HD3 PRO 40 2HD PRO 40 4.960 8.242 -11.642
279 H SER 41 H SER 41 7.003 11.421 -12.530
280 HA SER 41 HA SER 41 8.998 12.404 -14.356
281 HB2 SER 41 1HB SER 41 7.796 14.490 -14.277
282 HB3 SER 41 2HB SER 41 6.610 13.186 -14.340
283 HG SER 41 HG SER 41 5.971 14.597 -12.750
284 H GLY 42 H GLY 42 10.404 14.217 -13.915
285 HA2 GLY 42 1HA GLY 42 10.949 14.862 -11.135
286 HA3 GLY 42 2HA GLY 42 12.213 13.960 -11.958
287 HA PRO 43 HA PRO 43 13.272 18.361 -12.609
288 HB2 PRO 43 1HB PRO 43 15.952 17.930 -12.605
289 HB3 PRO 43 2HB PRO 43 15.010 18.140 -11.124
290 HG2 PRO 43 1HG PRO 43 15.968 15.616 -12.419
291 HG3 PRO 43 2HG PRO 43 15.972 16.065 -10.703
292 HD2 PRO 43 1HD PRO 43 14.097 14.434 -11.778
293 HD3 PRO 43 2HD PRO 43 13.746 15.533 -10.430
294 H SER 44 H SER 44 13.095 19.070 -14.633
295 HA SER 44 HA SER 44 14.271 17.481 -16.807
296 HB2 SER 44 1HB SER 44 12.134 19.624 -16.915
297 HB3 SER 44 2HB SER 44 12.728 18.701 -18.295
298 HG SER 44 HG SER 44 11.584 17.497 -16.000
299 H SER 45 H SER 45 13.961 20.803 -15.608
300 HA SER 45 HA SER 45 15.260 22.307 -17.408
301 HB2 SER 45 1HB SER 45 16.085 23.711 -15.597
302 HB3 SER 45 2HB SER 45 14.472 23.122 -15.197
303 HG SER 45 HG SER 45 15.905 21.327 -14.167
304 H GLY 46 H GLY 46 16.924 21.692 -18.646
305 HA2 GLY 46 1HA GLY 46 19.533 21.469 -17.524
306 HA3 GLY 46 2HA GLY 46 18.936 19.896 -18.032
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -12.271 -1.267 -29.381
2 HA2 GLY 1 1HA GLY 1 -14.268 -1.052 -27.235
3 HA3 GLY 1 2HA GLY 1 -13.622 -2.635 -27.640
4 H SER 2 H SER 2 -12.634 -3.007 -25.683
5 HA SER 2 HA SER 2 -10.219 -1.411 -25.197
6 HB2 SER 2 1HB SER 2 -12.410 -2.030 -23.242
7 HB3 SER 2 2HB SER 2 -10.751 -1.847 -22.673
8 HG SER 2 HG SER 2 -11.238 0.200 -22.677
9 H SER 3 H SER 3 -8.446 -2.593 -24.811
10 HA SER 3 HA SER 3 -8.756 -5.397 -24.002
11 HB2 SER 3 1HB SER 3 -7.325 -4.363 -26.438
12 HB3 SER 3 2HB SER 3 -6.835 -5.876 -25.677
13 HG SER 3 HG SER 3 -9.447 -5.974 -25.901
14 H GLY 4 H GLY 4 -6.422 -6.340 -23.626
15 HA2 GLY 4 1HA GLY 4 -4.188 -5.877 -22.863
16 HA3 GLY 4 2HA GLY 4 -4.736 -4.287 -22.354
17 H SER 5 H SER 5 -7.039 -4.982 -20.953
18 HA SER 5 HA SER 5 -6.055 -5.521 -18.419
19 HB2 SER 5 1HB SER 5 -8.343 -4.544 -19.142
20 HB3 SER 5 2HB SER 5 -8.879 -6.223 -19.188
21 HG SER 5 HG SER 5 -8.679 -6.368 -17.053
22 H SER 6 H SER 6 -4.856 -7.316 -18.089
23 HA SER 6 HA SER 6 -5.972 -9.911 -18.886
24 HB2 SER 6 1HB SER 6 -3.204 -8.914 -18.361
25 HB3 SER 6 2HB SER 6 -3.549 -10.622 -18.089
26 HG SER 6 HG SER 6 -2.821 -10.015 -20.262
27 H GLY 7 H GLY 7 -5.458 -11.738 -17.312
28 HA2 GLY 7 1HA GLY 7 -4.901 -11.806 -14.745
29 HA3 GLY 7 2HA GLY 7 -6.401 -10.893 -14.672
30 H THR 8 H THR 8 -5.364 -13.761 -13.956
31 HA THR 8 HA THR 8 -7.211 -15.441 -15.403
32 HB THR 8 HB THR 8 -5.073 -16.380 -14.707
33 HG1 THR 8 HG1 THR 8 -5.929 -18.269 -13.717
34 HG21 THR 8 3HG2 THR 8 -4.692 -15.088 -12.684
35 HG22 THR 8 1HG2 THR 8 -4.616 -16.811 -12.320
36 HG23 THR 8 2HG2 THR 8 -6.053 -15.883 -11.893
37 H GLY 9 H GLY 9 -6.940 -14.111 -12.128
38 HA2 GLY 9 1HA GLY 9 -9.822 -14.505 -11.801
39 HA3 GLY 9 2HA GLY 9 -8.763 -15.240 -10.606
40 H GLU 10 H GLU 10 -10.804 -13.155 -10.283
41 HA GLU 10 HA GLU 10 -9.517 -10.649 -9.895
42 HB2 GLU 10 1HB GLU 10 -12.084 -11.699 -8.693
43 HB3 GLU 10 2HB GLU 10 -11.565 -10.019 -8.690
44 HG2 GLU 10 1HG GLU 10 -13.026 -10.041 -10.451
45 HG3 GLU 10 2HG GLU 10 -11.491 -10.320 -11.272
46 H LYS 11 H LYS 11 -8.256 -9.994 -8.288
47 HA LYS 11 HA LYS 11 -7.534 -11.731 -6.158
48 HB2 LYS 11 1HB LYS 11 -6.936 -8.810 -6.650
49 HB3 LYS 11 2HB LYS 11 -6.232 -9.748 -5.339
50 HG2 LYS 11 1HG LYS 11 -4.915 -10.995 -6.755
51 HG3 LYS 11 2HG LYS 11 -5.967 -10.721 -8.146
52 HD2 LYS 11 1HD LYS 11 -5.218 -8.440 -8.327
53 HD3 LYS 11 2HD LYS 11 -4.287 -8.585 -6.834
54 HE2 LYS 11 1HE LYS 11 -2.616 -8.921 -8.346
55 HE3 LYS 11 2HE LYS 11 -3.168 -10.585 -8.158
56 HZ1 LYS 11 3HZ LYS 11 -4.683 -10.062 -10.122
57 HZ2 LYS 11 1HZ LYS 11 -3.035 -10.273 -10.443
58 HZ3 LYS 11 2HZ LYS 11 -3.692 -8.716 -10.383
59 HA PRO 12 HA PRO 12 -10.442 -10.696 -3.034
60 HB2 PRO 12 1HB PRO 12 -8.920 -10.989 -0.805
61 HB3 PRO 12 2HB PRO 12 -9.485 -12.358 -1.769
62 HG2 PRO 12 1HG PRO 12 -6.813 -11.009 -1.780
63 HG3 PRO 12 2HG PRO 12 -7.192 -12.740 -1.827
64 HD2 PRO 12 1HD PRO 12 -6.521 -11.335 -4.042
65 HD3 PRO 12 2HD PRO 12 -7.646 -12.707 -4.087
66 H TYR 13 H TYR 13 -7.328 -9.046 -2.986
67 HA TYR 13 HA TYR 13 -8.550 -6.805 -1.529
68 HB2 TYR 13 1HB TYR 13 -5.612 -7.004 -2.084
69 HB3 TYR 13 2HB TYR 13 -6.440 -6.206 -0.752
70 HD1 TYR 13 HD2 TYR 13 -8.182 -8.349 0.254
71 HD2 TYR 13 HD1 TYR 13 -4.145 -8.508 -1.083
72 HE1 TYR 13 HE2 TYR 13 -7.794 -10.316 1.678
73 HE2 TYR 13 HE1 TYR 13 -3.747 -10.477 0.336
74 HH TYR 13 HH TYR 13 -4.719 -11.492 2.391
75 H LYS 14 H LYS 14 -8.528 -4.739 -2.352
76 HA LYS 14 HA LYS 14 -7.243 -4.173 -4.882
77 HB2 LYS 14 1HB LYS 14 -9.248 -5.148 -5.743
78 HB3 LYS 14 2HB LYS 14 -10.246 -4.261 -4.598
79 HG2 LYS 14 1HG LYS 14 -9.206 -2.172 -5.802
80 HG3 LYS 14 2HG LYS 14 -8.951 -3.332 -7.109
81 HD2 LYS 14 1HD LYS 14 -11.469 -3.930 -6.616
82 HD3 LYS 14 2HD LYS 14 -11.494 -2.297 -5.946
83 HE2 LYS 14 1HE LYS 14 -10.277 -2.704 -8.629
84 HE3 LYS 14 2HE LYS 14 -12.033 -2.770 -8.493
85 HZ1 LYS 14 3HZ LYS 14 -10.581 -0.515 -8.792
86 HZ2 LYS 14 1HZ LYS 14 -10.845 -0.536 -7.121
87 HZ3 LYS 14 2HZ LYS 14 -12.159 -0.576 -8.186
88 H CYS 15 H CYS 15 -6.725 -2.061 -5.073
89 HA CYS 15 HA CYS 15 -6.911 -0.355 -2.858
90 HB2 CYS 15 1HB CYS 15 -5.354 -0.354 -5.017
91 HB3 CYS 15 2HB CYS 15 -6.543 0.819 -5.573
92 H GLN 16 H GLN 16 -7.730 2.045 -3.314
93 HA GLN 16 HA GLN 16 -10.475 1.882 -4.361
94 HB2 GLN 16 1HB GLN 16 -9.678 3.377 -1.861
95 HB3 GLN 16 2HB GLN 16 -11.303 3.176 -2.501
96 HG2 GLN 16 1HG GLN 16 -9.589 0.888 -1.574
97 HG3 GLN 16 2HG GLN 16 -10.734 1.737 -0.537
98 HE21 GLN 16 1HE2 GLN 16 -10.306 -0.684 -2.870
99 HE22 GLN 16 2HE2 GLN 16 -11.966 -1.114 -3.079
100 H VAL 17 H VAL 17 -7.599 3.769 -3.797
101 HA VAL 17 HA VAL 17 -8.654 6.228 -4.820
102 HB VAL 17 HB VAL 17 -6.276 6.959 -4.879
103 HG11 VAL 17 1HG1 VAL 17 -7.422 7.420 -2.879
104 HG12 VAL 17 2HG1 VAL 17 -7.398 5.729 -2.377
105 HG13 VAL 17 3HG1 VAL 17 -5.907 6.671 -2.376
106 HG21 VAL 17 3HG2 VAL 17 -4.879 5.102 -3.468
107 HG22 VAL 17 1HG2 VAL 17 -5.866 4.077 -4.510
108 HG23 VAL 17 2HG2 VAL 17 -4.804 5.293 -5.220
109 H CYS 18 H CYS 18 -6.710 3.584 -6.135
110 HA CYS 18 HA CYS 18 -7.005 4.782 -8.811
111 HB2 CYS 18 1HB CYS 18 -4.992 3.638 -9.478
112 HB3 CYS 18 2HB CYS 18 -4.659 4.526 -7.995
113 H GLY 19 H GLY 19 -7.495 1.958 -6.837
114 HA2 GLY 19 1HA GLY 19 -9.157 0.340 -7.267
115 HA3 GLY 19 2HA GLY 19 -9.142 0.808 -8.961
116 H LYS 20 H LYS 20 -6.140 0.238 -7.333
117 HA LYS 20 HA LYS 20 -5.395 -1.789 -9.181
118 HB2 LYS 20 1HB LYS 20 -4.144 -0.534 -6.777
119 HB3 LYS 20 2HB LYS 20 -3.467 -2.037 -7.388
120 HG2 LYS 20 1HG LYS 20 -3.948 0.203 -9.289
121 HG3 LYS 20 2HG LYS 20 -2.561 0.278 -8.201
122 HD2 LYS 20 1HD LYS 20 -2.139 -2.160 -9.055
123 HD3 LYS 20 2HD LYS 20 -3.142 -1.644 -10.413
124 HE2 LYS 20 1HE LYS 20 -0.763 -0.069 -9.465
125 HE3 LYS 20 2HE LYS 20 -0.629 -1.355 -10.663
126 HZ1 LYS 20 3HZ LYS 20 -1.170 0.139 -12.187
127 HZ2 LYS 20 1HZ LYS 20 -1.478 1.320 -11.015
128 HZ3 LYS 20 2HZ LYS 20 -2.709 0.263 -11.494
129 H ALA 21 H ALA 21 -4.286 -3.855 -8.177
130 HA ALA 21 HA ALA 21 -5.801 -5.014 -5.992
131 HB1 ALA 21 3HB ALA 21 -7.199 -5.377 -8.025
132 HB2 ALA 21 1HB ALA 21 -5.880 -6.335 -8.698
133 HB3 ALA 21 2HB ALA 21 -6.690 -6.862 -7.222
134 H PHE 22 H PHE 22 -4.686 -6.577 -4.928
135 HA PHE 22 HA PHE 22 -2.324 -7.748 -6.194
136 HB2 PHE 22 1HB PHE 22 -2.126 -6.613 -3.413
137 HB3 PHE 22 2HB PHE 22 -0.825 -7.112 -4.489
138 HD1 PHE 22 HD2 PHE 22 -3.624 -4.651 -4.355
139 HD2 PHE 22 HD1 PHE 22 0.367 -5.482 -5.577
140 HE1 PHE 22 HE2 PHE 22 -3.382 -2.329 -5.131
141 HE2 PHE 22 HE1 PHE 22 0.616 -3.161 -6.355
142 HZ PHE 22 HZ PHE 22 -1.260 -1.581 -6.133
143 H ARG 23 H ARG 23 -2.715 -9.857 -6.075
144 HA ARG 23 HA ARG 23 -4.477 -11.226 -4.534
145 HB2 ARG 23 1HB ARG 23 -2.821 -13.191 -4.738
146 HB3 ARG 23 2HB ARG 23 -3.433 -12.464 -6.218
147 HG2 ARG 23 1HG ARG 23 -1.415 -11.520 -6.754
148 HG3 ARG 23 2HG ARG 23 -0.873 -11.464 -5.076
149 HD2 ARG 23 1HD ARG 23 0.412 -13.191 -5.828
150 HD3 ARG 23 2HD ARG 23 -1.016 -14.091 -5.318
151 HE ARG 23 HE ARG 23 -1.381 -14.655 -7.500
152 HH11 ARG 23 1HH1 ARG 23 0.760 -11.911 -7.392
153 HH12 ARG 23 2HH1 ARG 23 1.068 -11.920 -9.097
154 HH21 ARG 23 1HH2 ARG 23 -0.983 -14.676 -9.746
155 HH22 ARG 23 2HH2 ARG 23 0.076 -13.493 -10.435
156 H VAL 24 H VAL 24 -1.510 -9.818 -3.494
157 HA VAL 24 HA VAL 24 -1.751 -11.163 -0.883
158 HB VAL 24 HB VAL 24 0.571 -10.698 -0.482
159 HG11 VAL 24 1HG1 VAL 24 -0.003 -12.693 -1.828
160 HG12 VAL 24 2HG1 VAL 24 0.283 -11.752 -3.293
161 HG13 VAL 24 3HG1 VAL 24 1.610 -12.068 -2.174
162 HG21 VAL 24 3HG2 VAL 24 1.807 -9.160 -1.556
163 HG22 VAL 24 1HG2 VAL 24 1.192 -9.630 -3.141
164 HG23 VAL 24 2HG2 VAL 24 0.252 -8.544 -2.117
165 H SER 25 H SER 25 -1.025 -9.790 0.989
166 HA SER 25 HA SER 25 -2.339 -7.190 0.788
167 HB2 SER 25 1HB SER 25 -3.080 -8.653 2.595
168 HB3 SER 25 2HB SER 25 -1.430 -8.773 3.204
169 HG SER 25 HG SER 25 -1.844 -7.040 4.297
170 H SER 26 H SER 26 0.751 -8.623 1.716
171 HA SER 26 HA SER 26 2.064 -6.419 2.727
172 HB2 SER 26 1HB SER 26 4.157 -7.508 1.977
173 HB3 SER 26 2HB SER 26 3.053 -8.653 2.740
174 HG SER 26 HG SER 26 4.066 -8.676 0.247
175 H HIS 27 H HIS 27 2.129 -7.509 -0.670
176 HA HIS 27 HA HIS 27 3.541 -5.353 -1.714
177 HB2 HIS 27 1HB HIS 27 1.516 -7.223 -2.925
178 HB3 HIS 27 2HB HIS 27 2.272 -5.949 -3.877
179 HD2 HIS 27 HD2 HIS 27 4.644 -7.694 -1.395
180 HE1 HIS 27 HE1 HIS 27 5.391 -9.320 -5.242
181 HE2 HIS 27 HE2 HIS 27 6.128 -9.248 -2.835
182 H LEU 28 H LEU 28 0.003 -5.824 -1.837
183 HA LEU 28 HA LEU 28 -0.826 -3.497 -2.919
184 HB2 LEU 28 1HB LEU 28 -2.517 -4.971 -2.354
185 HB3 LEU 28 2HB LEU 28 -1.948 -5.144 -0.695
186 HG LEU 28 HG LEU 28 -2.825 -2.947 -0.140
187 HD11 LEU 28 1HD1 LEU 28 -4.266 -2.649 -2.695
188 HD12 LEU 28 2HD1 LEU 28 -2.537 -2.306 -2.730
189 HD13 LEU 28 3HD1 LEU 28 -3.588 -1.427 -1.620
190 HD21 LEU 28 3HD2 LEU 28 -5.208 -3.436 -0.365
191 HD22 LEU 28 1HD2 LEU 28 -4.299 -4.879 0.084
192 HD23 LEU 28 2HD2 LEU 28 -4.847 -4.664 -1.579
193 H VAL 29 H VAL 29 0.319 -3.934 0.385
194 HA VAL 29 HA VAL 29 -0.340 -1.381 1.365
195 HB VAL 29 HB VAL 29 1.914 -3.212 2.199
196 HG11 VAL 29 1HG1 VAL 29 1.797 -1.952 4.344
197 HG12 VAL 29 2HG1 VAL 29 2.382 -0.993 2.982
198 HG13 VAL 29 3HG1 VAL 29 0.725 -0.796 3.554
199 HG21 VAL 29 3HG2 VAL 29 -0.702 -3.789 2.325
200 HG22 VAL 29 1HG2 VAL 29 0.464 -4.322 3.537
201 HG23 VAL 29 2HG2 VAL 29 -0.528 -2.894 3.835
202 H GLN 30 H GLN 30 2.791 -2.609 0.174
203 HA GLN 30 HA GLN 30 4.223 -0.245 0.314
204 HB2 GLN 30 1HB GLN 30 4.485 -2.422 -1.767
205 HB3 GLN 30 2HB GLN 30 5.705 -1.212 -1.391
206 HG2 GLN 30 1HG GLN 30 4.736 -3.461 0.345
207 HG3 GLN 30 2HG GLN 30 6.353 -3.208 -0.310
208 HE21 GLN 30 1HE2 GLN 30 4.005 -2.100 2.031
209 HE22 GLN 30 2HE2 GLN 30 5.127 -1.279 3.057
210 H HIS 31 H HIS 31 1.700 -1.127 -1.843
211 HA HIS 31 HA HIS 31 2.391 0.871 -3.830
212 HB2 HIS 31 1HB HIS 31 1.393 -0.876 -4.932
213 HB3 HIS 31 2HB HIS 31 0.339 -1.270 -3.577
214 HD1 HIS 31 HD1 HIS 31 0.629 1.174 -6.441
215 HD2 HIS 31 HD2 HIS 31 -2.188 -0.204 -3.715
216 HE1 HIS 31 HE1 HIS 31 -1.567 2.142 -7.195
217 H HIS 32 H HIS 32 0.482 0.613 -0.981
218 HA HIS 32 HA HIS 32 -1.406 2.654 -1.524
219 HB2 HIS 32 1HB HIS 32 -0.450 1.231 0.917
220 HB3 HIS 32 2HB HIS 32 -1.354 2.728 1.130
221 HD2 HIS 32 HD2 HIS 32 -2.236 -0.747 1.346
222 HE1 HIS 32 HE1 HIS 32 -5.472 0.873 -0.869
223 HE2 HIS 32 HE2 HIS 32 -4.679 -1.049 0.552
224 H SER 33 H SER 33 1.866 2.861 -1.280
225 HA SER 33 HA SER 33 1.780 5.590 -0.174
226 HB2 SER 33 1HB SER 33 4.112 3.668 -0.359
227 HB3 SER 33 2HB SER 33 4.205 5.315 0.263
228 HG SER 33 HG SER 33 2.396 4.474 1.712
229 H VAL 34 H VAL 34 1.509 4.252 -3.017
230 HA VAL 34 HA VAL 34 3.592 5.668 -4.463
231 HB VAL 34 HB VAL 34 2.841 4.588 -6.415
232 HG11 VAL 34 1HG1 VAL 34 2.956 2.993 -3.953
233 HG12 VAL 34 2HG1 VAL 34 2.213 2.179 -5.332
234 HG13 VAL 34 3HG1 VAL 34 3.851 2.821 -5.463
235 HG21 VAL 34 3HG2 VAL 34 0.666 3.284 -6.412
236 HG22 VAL 34 1HG2 VAL 34 0.265 4.147 -4.926
237 HG23 VAL 34 2HG2 VAL 34 0.523 5.042 -6.424
238 H HIS 35 H HIS 35 0.315 6.142 -3.507
239 HA HIS 35 HA HIS 35 -0.188 8.202 -5.490
240 HB2 HIS 35 1HB HIS 35 -1.922 7.537 -3.114
241 HB3 HIS 35 2HB HIS 35 -2.399 8.301 -4.627
242 HD1 HIS 35 HD1 HIS 35 -1.721 6.502 -6.780
243 HD2 HIS 35 HD2 HIS 35 -2.823 5.003 -3.065
244 HE1 HIS 35 HE1 HIS 35 -2.482 4.143 -7.206
245 H SER 36 H SER 36 0.186 7.983 -1.963
246 HA SER 36 HA SER 36 -0.211 10.547 -1.171
247 HB2 SER 36 1HB SER 36 1.376 10.158 0.640
248 HB3 SER 36 2HB SER 36 0.440 8.694 0.342
249 HG SER 36 HG SER 36 2.269 8.025 -1.000
250 H GLY 37 H GLY 37 2.745 9.272 -2.661
251 HA2 GLY 37 1HA GLY 37 4.457 11.386 -2.465
252 HA3 GLY 37 2HA GLY 37 4.361 10.364 -3.891
253 H GLU 38 H GLU 38 2.298 10.952 -5.274
254 HA GLU 38 HA GLU 38 1.872 13.838 -5.354
255 HB2 GLU 38 1HB GLU 38 3.293 12.240 -7.440
256 HB3 GLU 38 2HB GLU 38 2.256 13.563 -7.953
257 HG2 GLU 38 1HG GLU 38 4.571 13.792 -6.044
258 HG3 GLU 38 2HG GLU 38 4.586 14.254 -7.745
259 H ARG 39 H ARG 39 -0.229 14.186 -5.564
260 HA ARG 39 HA ARG 39 -2.110 12.172 -6.075
261 HB2 ARG 39 1HB ARG 39 -2.227 15.161 -5.939
262 HB3 ARG 39 2HB ARG 39 -3.630 14.269 -6.513
263 HG2 ARG 39 1HG ARG 39 -3.864 13.130 -4.451
264 HG3 ARG 39 2HG ARG 39 -2.290 13.693 -3.887
265 HD2 ARG 39 1HD ARG 39 -3.626 15.178 -2.790
266 HD3 ARG 39 2HD ARG 39 -3.399 16.060 -4.300
267 HE ARG 39 HE ARG 39 -5.690 14.342 -4.344
268 HH11 ARG 39 1HH1 ARG 39 -4.504 17.464 -3.361
269 HH12 ARG 39 2HH1 ARG 39 -6.065 18.214 -3.399
270 HH21 ARG 39 1HH2 ARG 39 -7.751 15.318 -4.397
271 HH22 ARG 39 2HH2 ARG 39 -7.911 16.992 -3.988
272 HA PRO 40 HA PRO 40 -2.157 11.866 -10.465
273 HB2 PRO 40 1HB PRO 40 -4.673 10.904 -10.806
274 HB3 PRO 40 2HB PRO 40 -3.348 9.924 -10.166
275 HG2 PRO 40 1HG PRO 40 -5.538 11.339 -8.696
276 HG3 PRO 40 2HG PRO 40 -4.882 9.713 -8.432
277 HD2 PRO 40 1HD PRO 40 -4.180 11.833 -6.901
278 HD3 PRO 40 2HD PRO 40 -3.062 10.501 -7.258
279 H SER 41 H SER 41 -3.336 12.627 -12.376
280 HA SER 41 HA SER 41 -4.202 15.338 -12.034
281 HB2 SER 41 1HB SER 41 -4.215 13.647 -14.545
282 HB3 SER 41 2HB SER 41 -4.326 15.405 -14.463
283 HG SER 41 HG SER 41 -2.211 15.264 -13.367
284 H GLY 42 H GLY 42 -6.168 15.673 -11.186
285 HA2 GLY 42 1HA GLY 42 -8.458 15.718 -11.029
286 HA3 GLY 42 2HA GLY 42 -8.497 15.090 -12.670
287 HA PRO 43 HA PRO 43 -9.538 11.844 -9.258
288 HB2 PRO 43 1HB PRO 43 -12.202 12.244 -8.923
289 HB3 PRO 43 2HB PRO 43 -10.979 13.026 -7.915
290 HG2 PRO 43 1HG PRO 43 -12.480 14.119 -10.263
291 HG3 PRO 43 2HG PRO 43 -12.102 14.898 -8.715
292 HD2 PRO 43 1HD PRO 43 -10.690 15.383 -10.974
293 HD3 PRO 43 2HD PRO 43 -9.952 15.420 -9.360
294 H SER 44 H SER 44 -9.584 10.018 -10.403
295 HA SER 44 HA SER 44 -11.174 9.837 -12.831
296 HB2 SER 44 1HB SER 44 -9.978 7.780 -13.261
297 HB3 SER 44 2HB SER 44 -8.816 9.004 -12.750
298 HG SER 44 HG SER 44 -9.890 6.881 -11.209
299 H SER 45 H SER 45 -10.874 8.145 -9.723
300 HA SER 45 HA SER 45 -13.655 7.255 -10.027
301 HB2 SER 45 1HB SER 45 -11.319 5.524 -9.189
302 HB3 SER 45 2HB SER 45 -13.010 5.056 -9.011
303 HG SER 45 HG SER 45 -13.120 4.664 -11.082
304 H GLY 46 H GLY 46 -14.442 6.300 -7.850
305 HA2 GLY 46 1HA GLY 46 -13.943 8.334 -5.849
306 HA3 GLY 46 2HA GLY 46 -15.160 7.069 -5.773
Start of MODEL 7
1 H1 GLY 1 H GLY 1 3.986 -9.585 -32.045
2 HA2 GLY 1 1HA GLY 1 2.708 -8.331 -33.752
3 HA3 GLY 1 2HA GLY 1 1.696 -9.759 -33.906
4 H SER 2 H SER 2 -0.057 -9.958 -32.634
5 HA SER 2 HA SER 2 -0.786 -7.707 -30.993
6 HB2 SER 2 1HB SER 2 -2.954 -8.696 -30.869
7 HB3 SER 2 2HB SER 2 -2.373 -8.987 -32.508
8 HG SER 2 HG SER 2 -2.182 -10.849 -30.374
9 H SER 3 H SER 3 -1.233 -7.723 -28.784
10 HA SER 3 HA SER 3 0.262 -9.738 -27.285
11 HB2 SER 3 1HB SER 3 0.492 -7.156 -27.003
12 HB3 SER 3 2HB SER 3 -0.989 -7.298 -26.055
13 HG SER 3 HG SER 3 1.536 -7.884 -25.346
14 H GLY 4 H GLY 4 -0.671 -10.410 -25.143
15 HA2 GLY 4 1HA GLY 4 -3.604 -10.591 -25.191
16 HA3 GLY 4 2HA GLY 4 -2.662 -12.073 -25.119
17 H SER 5 H SER 5 -4.424 -10.094 -23.279
18 HA SER 5 HA SER 5 -2.685 -10.207 -20.925
19 HB2 SER 5 1HB SER 5 -5.074 -8.603 -21.695
20 HB3 SER 5 2HB SER 5 -4.841 -8.941 -19.981
21 HG SER 5 HG SER 5 -2.621 -8.063 -21.407
22 H SER 6 H SER 6 -3.794 -10.788 -18.831
23 HA SER 6 HA SER 6 -5.917 -12.767 -19.109
24 HB2 SER 6 1HB SER 6 -3.100 -13.376 -18.322
25 HB3 SER 6 2HB SER 6 -4.403 -14.243 -17.508
26 HG SER 6 HG SER 6 -4.906 -15.240 -19.331
27 H GLY 7 H GLY 7 -7.391 -12.142 -17.680
28 HA2 GLY 7 1HA GLY 7 -6.678 -11.822 -14.901
29 HA3 GLY 7 2HA GLY 7 -7.211 -10.335 -15.669
30 H THR 8 H THR 8 -8.228 -13.747 -15.466
31 HA THR 8 HA THR 8 -10.990 -13.088 -15.826
32 HB THR 8 HB THR 8 -10.105 -15.266 -16.538
33 HG1 THR 8 HG1 THR 8 -12.203 -15.060 -14.686
34 HG21 THR 8 3HG2 THR 8 -8.493 -15.550 -14.672
35 HG22 THR 8 1HG2 THR 8 -9.498 -16.973 -14.939
36 HG23 THR 8 2HG2 THR 8 -9.847 -15.887 -13.595
37 H GLY 9 H GLY 9 -9.034 -14.156 -13.049
38 HA2 GLY 9 1HA GLY 9 -11.295 -13.671 -11.261
39 HA3 GLY 9 2HA GLY 9 -9.772 -14.433 -10.827
40 H GLU 10 H GLU 10 -11.203 -12.286 -9.467
41 HA GLU 10 HA GLU 10 -9.280 -10.080 -9.782
42 HB2 GLU 10 1HB GLU 10 -12.083 -10.144 -8.670
43 HB3 GLU 10 2HB GLU 10 -11.004 -8.775 -8.444
44 HG2 GLU 10 1HG GLU 10 -12.219 -8.126 -10.278
45 HG3 GLU 10 2HG GLU 10 -10.790 -8.838 -11.025
46 H LYS 11 H LYS 11 -7.848 -9.707 -8.222
47 HA LYS 11 HA LYS 11 -7.364 -11.414 -6.110
48 HB2 LYS 11 1HB LYS 11 -6.670 -8.473 -6.157
49 HB3 LYS 11 2HB LYS 11 -5.851 -9.735 -5.246
50 HG2 LYS 11 1HG LYS 11 -5.969 -9.593 -8.251
51 HG3 LYS 11 2HG LYS 11 -4.621 -9.026 -7.262
52 HD2 LYS 11 1HD LYS 11 -3.948 -11.145 -6.721
53 HD3 LYS 11 2HD LYS 11 -5.575 -11.816 -6.868
54 HE2 LYS 11 1HE LYS 11 -4.402 -12.699 -8.693
55 HE3 LYS 11 2HE LYS 11 -5.345 -11.372 -9.370
56 HZ1 LYS 11 3HZ LYS 11 -3.090 -10.109 -8.747
57 HZ2 LYS 11 1HZ LYS 11 -3.369 -10.821 -10.256
58 HZ3 LYS 11 2HZ LYS 11 -2.469 -11.646 -9.086
59 HA PRO 12 HA PRO 12 -10.241 -10.467 -2.930
60 HB2 PRO 12 1HB PRO 12 -8.740 -10.953 -0.720
61 HB3 PRO 12 2HB PRO 12 -9.351 -12.239 -1.769
62 HG2 PRO 12 1HG PRO 12 -6.631 -10.990 -1.690
63 HG3 PRO 12 2HG PRO 12 -7.073 -12.700 -1.846
64 HD2 PRO 12 1HD PRO 12 -6.342 -11.185 -3.968
65 HD3 PRO 12 2HD PRO 12 -7.516 -12.510 -4.100
66 H TYR 13 H TYR 13 -7.160 -8.833 -3.005
67 HA TYR 13 HA TYR 13 -8.303 -6.652 -1.385
68 HB2 TYR 13 1HB TYR 13 -5.354 -6.896 -1.781
69 HB3 TYR 13 2HB TYR 13 -6.250 -6.234 -0.419
70 HD1 TYR 13 HD2 TYR 13 -8.076 -8.512 0.166
71 HD2 TYR 13 HD1 TYR 13 -3.926 -8.452 -0.770
72 HE1 TYR 13 HE2 TYR 13 -7.774 -10.622 1.395
73 HE2 TYR 13 HE1 TYR 13 -3.613 -10.561 0.455
74 HH TYR 13 HH TYR 13 -5.942 -11.841 2.536
75 H LYS 14 H LYS 14 -8.978 -5.080 -2.682
76 HA LYS 14 HA LYS 14 -7.263 -4.309 -4.952
77 HB2 LYS 14 1HB LYS 14 -9.267 -5.229 -5.866
78 HB3 LYS 14 2HB LYS 14 -10.272 -4.335 -4.733
79 HG2 LYS 14 1HG LYS 14 -9.195 -2.250 -5.886
80 HG3 LYS 14 2HG LYS 14 -8.889 -3.393 -7.196
81 HD2 LYS 14 1HD LYS 14 -11.406 -4.002 -6.870
82 HD3 LYS 14 2HD LYS 14 -11.492 -2.421 -6.089
83 HE2 LYS 14 1HE LYS 14 -10.303 -1.560 -8.209
84 HE3 LYS 14 2HE LYS 14 -10.799 -3.091 -8.929
85 HZ1 LYS 14 3HZ LYS 14 -12.992 -2.516 -8.870
86 HZ2 LYS 14 1HZ LYS 14 -12.309 -0.982 -9.084
87 HZ3 LYS 14 2HZ LYS 14 -12.817 -1.474 -7.548
88 H CYS 15 H CYS 15 -6.689 -2.211 -5.124
89 HA CYS 15 HA CYS 15 -6.829 -0.505 -2.925
90 HB2 CYS 15 1HB CYS 15 -5.341 -0.502 -5.135
91 HB3 CYS 15 2HB CYS 15 -6.534 0.690 -5.639
92 H GLN 16 H GLN 16 -7.635 1.912 -3.368
93 HA GLN 16 HA GLN 16 -10.407 1.785 -4.342
94 HB2 GLN 16 1HB GLN 16 -9.540 3.187 -1.810
95 HB3 GLN 16 2HB GLN 16 -11.178 3.068 -2.437
96 HG2 GLN 16 1HG GLN 16 -9.572 0.650 -1.682
97 HG3 GLN 16 2HG GLN 16 -10.559 1.534 -0.520
98 HE21 GLN 16 1HE2 GLN 16 -10.592 -1.160 -2.152
99 HE22 GLN 16 2HE2 GLN 16 -12.263 -1.305 -2.565
100 H VAL 17 H VAL 17 -7.521 3.659 -3.746
101 HA VAL 17 HA VAL 17 -8.561 6.147 -4.682
102 HB VAL 17 HB VAL 17 -6.170 6.838 -4.811
103 HG11 VAL 17 1HG1 VAL 17 -5.725 6.447 -2.321
104 HG12 VAL 17 2HG1 VAL 17 -7.212 7.287 -2.763
105 HG13 VAL 17 3HG1 VAL 17 -7.262 5.582 -2.313
106 HG21 VAL 17 3HG2 VAL 17 -4.747 4.941 -3.505
107 HG22 VAL 17 1HG2 VAL 17 -5.805 3.937 -4.497
108 HG23 VAL 17 2HG2 VAL 17 -4.761 5.137 -5.258
109 H CYS 18 H CYS 18 -6.647 3.551 -6.147
110 HA CYS 18 HA CYS 18 -7.061 4.819 -8.774
111 HB2 CYS 18 1HB CYS 18 -5.072 3.668 -9.549
112 HB3 CYS 18 2HB CYS 18 -4.687 4.582 -8.094
113 H GLY 19 H GLY 19 -7.313 1.861 -6.911
114 HA2 GLY 19 1HA GLY 19 -9.069 0.295 -7.332
115 HA3 GLY 19 2HA GLY 19 -9.036 0.765 -9.025
116 H LYS 20 H LYS 20 -6.035 0.220 -7.405
117 HA LYS 20 HA LYS 20 -5.261 -1.798 -9.237
118 HB2 LYS 20 1HB LYS 20 -4.065 -0.527 -6.826
119 HB3 LYS 20 2HB LYS 20 -3.395 -2.067 -7.349
120 HG2 LYS 20 1HG LYS 20 -3.725 0.251 -9.226
121 HG3 LYS 20 2HG LYS 20 -2.286 0.040 -8.225
122 HD2 LYS 20 1HD LYS 20 -2.191 -2.327 -9.229
123 HD3 LYS 20 2HD LYS 20 -3.312 -1.704 -10.442
124 HE2 LYS 20 1HE LYS 20 -0.724 -0.321 -9.796
125 HE3 LYS 20 2HE LYS 20 -0.817 -1.619 -10.985
126 HZ1 LYS 20 3HZ LYS 20 -1.046 0.785 -11.788
127 HZ2 LYS 20 1HZ LYS 20 -2.614 0.715 -11.155
128 HZ3 LYS 20 2HZ LYS 20 -2.147 -0.355 -12.378
129 H ALA 21 H ALA 21 -4.178 -3.879 -8.243
130 HA ALA 21 HA ALA 21 -5.764 -5.069 -6.119
131 HB1 ALA 21 3HB ALA 21 -5.712 -6.338 -8.852
132 HB2 ALA 21 1HB ALA 21 -6.545 -6.934 -7.416
133 HB3 ALA 21 2HB ALA 21 -7.078 -5.441 -8.190
134 H PHE 22 H PHE 22 -4.803 -6.875 -5.172
135 HA PHE 22 HA PHE 22 -2.358 -7.955 -6.290
136 HB2 PHE 22 1HB PHE 22 -2.233 -6.749 -3.531
137 HB3 PHE 22 2HB PHE 22 -0.903 -7.331 -4.527
138 HD1 PHE 22 HD2 PHE 22 -3.502 -4.692 -4.325
139 HD2 PHE 22 HD1 PHE 22 0.265 -5.875 -5.915
140 HE1 PHE 22 HE2 PHE 22 -3.151 -2.412 -5.181
141 HE2 PHE 22 HE1 PHE 22 0.623 -3.596 -6.773
142 HZ PHE 22 HZ PHE 22 -1.087 -1.862 -6.407
143 H ARG 23 H ARG 23 -2.297 -10.066 -5.900
144 HA ARG 23 HA ARG 23 -4.261 -11.430 -4.475
145 HB2 ARG 23 1HB ARG 23 -2.345 -13.286 -4.500
146 HB3 ARG 23 2HB ARG 23 -3.242 -12.843 -5.947
147 HG2 ARG 23 1HG ARG 23 -1.465 -11.783 -6.896
148 HG3 ARG 23 2HG ARG 23 -0.761 -11.334 -5.341
149 HD2 ARG 23 1HD ARG 23 -0.477 -13.954 -5.123
150 HD3 ARG 23 2HD ARG 23 -0.521 -13.865 -6.883
151 HE ARG 23 HE ARG 23 1.296 -11.979 -6.223
152 HH11 ARG 23 1HH1 ARG 23 0.923 -15.333 -5.369
153 HH12 ARG 23 2HH1 ARG 23 2.623 -15.611 -5.184
154 HH21 ARG 23 1HH2 ARG 23 3.537 -12.332 -5.983
155 HH22 ARG 23 2HH2 ARG 23 4.109 -13.902 -5.532
156 H VAL 24 H VAL 24 -1.266 -10.035 -3.410
157 HA VAL 24 HA VAL 24 -1.621 -11.253 -0.753
158 HB VAL 24 HB VAL 24 0.665 -10.963 -0.318
159 HG11 VAL 24 1HG1 VAL 24 1.635 -12.357 -1.854
160 HG12 VAL 24 2HG1 VAL 24 -0.069 -12.594 -2.249
161 HG13 VAL 24 3HG1 VAL 24 0.924 -11.516 -3.231
162 HG21 VAL 24 3HG2 VAL 24 1.786 -9.679 -2.552
163 HG22 VAL 24 1HG2 VAL 24 0.396 -8.709 -2.066
164 HG23 VAL 24 2HG2 VAL 24 1.670 -9.069 -0.901
165 H SER 25 H SER 25 -0.966 -9.824 1.094
166 HA SER 25 HA SER 25 -2.360 -7.298 0.844
167 HB2 SER 25 1HB SER 25 -2.938 -8.397 2.826
168 HB3 SER 25 2HB SER 25 -1.278 -8.897 3.147
169 HG SER 25 HG SER 25 -1.772 -6.163 3.060
170 H SER 26 H SER 26 0.880 -8.389 1.821
171 HA SER 26 HA SER 26 2.099 -6.048 2.465
172 HB2 SER 26 1HB SER 26 3.029 -8.514 2.157
173 HB3 SER 26 2HB SER 26 3.600 -7.858 0.623
174 HG SER 26 HG SER 26 4.799 -7.641 2.892
175 H HIS 27 H HIS 27 2.484 -7.373 -0.818
176 HA HIS 27 HA HIS 27 3.488 -5.243 -2.122
177 HB2 HIS 27 1HB HIS 27 1.426 -7.233 -3.048
178 HB3 HIS 27 2HB HIS 27 2.082 -6.012 -4.134
179 HD2 HIS 27 HD2 HIS 27 4.668 -7.547 -1.730
180 HE1 HIS 27 HE1 HIS 27 5.166 -9.413 -5.507
181 HE2 HIS 27 HE2 HIS 27 6.077 -9.167 -3.172
182 H LEU 28 H LEU 28 -0.024 -5.811 -1.829
183 HA LEU 28 HA LEU 28 -0.902 -3.453 -2.976
184 HB2 LEU 28 1HB LEU 28 -2.547 -5.035 -2.566
185 HB3 LEU 28 2HB LEU 28 -2.043 -5.268 -0.893
186 HG LEU 28 HG LEU 28 -3.033 -3.138 -0.273
187 HD11 LEU 28 1HD1 LEU 28 -3.357 -2.873 -3.216
188 HD12 LEU 28 2HD1 LEU 28 -2.888 -1.669 -2.016
189 HD13 LEU 28 3HD1 LEU 28 -4.577 -2.155 -2.164
190 HD21 LEU 28 3HD2 LEU 28 -5.254 -4.284 -1.825
191 HD22 LEU 28 1HD2 LEU 28 -5.109 -3.987 -0.092
192 HD23 LEU 28 2HD2 LEU 28 -4.372 -5.422 -0.805
193 H VAL 29 H VAL 29 0.068 -4.078 0.363
194 HA VAL 29 HA VAL 29 -0.693 -1.614 1.465
195 HB VAL 29 HB VAL 29 1.589 -3.421 2.278
196 HG11 VAL 29 1HG1 VAL 29 0.280 -1.102 3.681
197 HG12 VAL 29 2HG1 VAL 29 1.265 -2.307 4.513
198 HG13 VAL 29 3HG1 VAL 29 1.981 -1.294 3.258
199 HG21 VAL 29 3HG2 VAL 29 -0.534 -3.587 4.096
200 HG22 VAL 29 1HG2 VAL 29 -1.269 -3.663 2.495
201 HG23 VAL 29 2HG2 VAL 29 -0.012 -4.816 2.944
202 H GLN 30 H GLN 30 2.463 -2.664 0.187
203 HA GLN 30 HA GLN 30 3.792 -0.223 0.575
204 HB2 GLN 30 1HB GLN 30 4.304 -2.371 -1.490
205 HB3 GLN 30 2HB GLN 30 5.420 -1.074 -1.084
206 HG2 GLN 30 1HG GLN 30 4.527 -3.348 0.665
207 HG3 GLN 30 2HG GLN 30 6.146 -3.025 0.046
208 HE21 GLN 30 1HE2 GLN 30 3.644 -1.843 2.214
209 HE22 GLN 30 2HE2 GLN 30 4.707 -0.997 3.280
210 H HIS 31 H HIS 31 1.643 -1.325 -1.933
211 HA HIS 31 HA HIS 31 2.307 0.739 -3.808
212 HB2 HIS 31 1HB HIS 31 1.380 -1.029 -4.937
213 HB3 HIS 31 2HB HIS 31 0.271 -1.424 -3.627
214 HD1 HIS 31 HD1 HIS 31 0.664 1.046 -6.464
215 HD2 HIS 31 HD2 HIS 31 -2.267 -0.443 -3.924
216 HE1 HIS 31 HE1 HIS 31 -1.509 1.964 -7.334
217 H HIS 32 H HIS 32 0.233 0.472 -1.067
218 HA HIS 32 HA HIS 32 -1.613 2.521 -1.735
219 HB2 HIS 32 1HB HIS 32 -0.833 1.105 0.781
220 HB3 HIS 32 2HB HIS 32 -1.807 2.568 0.895
221 HD2 HIS 32 HD2 HIS 32 -2.542 -0.968 0.996
222 HE1 HIS 32 HE1 HIS 32 -5.678 0.573 -1.410
223 HE2 HIS 32 HE2 HIS 32 -4.906 -1.352 0.019
224 H SER 33 H SER 33 1.626 2.722 -1.273
225 HA SER 33 HA SER 33 1.466 5.439 -0.143
226 HB2 SER 33 1HB SER 33 3.869 3.599 -0.194
227 HB3 SER 33 2HB SER 33 3.770 5.174 0.592
228 HG SER 33 HG SER 33 3.146 4.054 2.256
229 H VAL 34 H VAL 34 1.415 4.125 -3.005
230 HA VAL 34 HA VAL 34 3.629 5.497 -4.278
231 HB VAL 34 HB VAL 34 2.973 4.477 -6.296
232 HG11 VAL 34 1HG1 VAL 34 2.870 2.845 -3.861
233 HG12 VAL 34 2HG1 VAL 34 2.183 2.078 -5.294
234 HG13 VAL 34 3HG1 VAL 34 3.849 2.656 -5.315
235 HG21 VAL 34 3HG2 VAL 34 0.291 4.031 -4.996
236 HG22 VAL 34 1HG2 VAL 34 0.659 5.050 -6.388
237 HG23 VAL 34 2HG2 VAL 34 0.774 3.296 -6.525
238 H HIS 35 H HIS 35 0.171 5.903 -3.852
239 HA HIS 35 HA HIS 35 -0.077 8.044 -5.736
240 HB2 HIS 35 1HB HIS 35 -1.989 7.543 -3.470
241 HB3 HIS 35 2HB HIS 35 -2.329 8.178 -5.077
242 HD1 HIS 35 HD1 HIS 35 -1.798 6.273 -7.056
243 HD2 HIS 35 HD2 HIS 35 -2.681 4.948 -3.219
244 HE1 HIS 35 HE1 HIS 35 -2.513 3.876 -7.320
245 H SER 36 H SER 36 -0.187 7.924 -2.173
246 HA SER 36 HA SER 36 0.056 10.797 -1.995
247 HB2 SER 36 1HB SER 36 -1.313 9.415 -0.396
248 HB3 SER 36 2HB SER 36 0.197 8.775 0.252
249 HG SER 36 HG SER 36 -0.980 10.899 1.068
250 H GLY 37 H GLY 37 2.224 9.710 -3.353
251 HA2 GLY 37 1HA GLY 37 4.396 10.312 -1.453
252 HA3 GLY 37 2HA GLY 37 4.521 8.935 -2.537
253 H GLU 38 H GLU 38 4.692 9.315 -4.808
254 HA GLU 38 HA GLU 38 6.472 11.321 -5.520
255 HB2 GLU 38 1HB GLU 38 5.793 9.136 -6.756
256 HB3 GLU 38 2HB GLU 38 4.576 10.143 -7.526
257 HG2 GLU 38 1HG GLU 38 6.242 11.553 -8.484
258 HG3 GLU 38 2HG GLU 38 7.516 10.768 -7.553
259 H ARG 39 H ARG 39 6.113 13.437 -5.399
260 HA ARG 39 HA ARG 39 3.458 14.511 -5.932
261 HB2 ARG 39 1HB ARG 39 4.337 16.610 -5.062
262 HB3 ARG 39 2HB ARG 39 4.689 15.293 -3.951
263 HG2 ARG 39 1HG ARG 39 6.964 15.216 -5.246
264 HG3 ARG 39 2HG ARG 39 6.537 16.878 -5.661
265 HD2 ARG 39 1HD ARG 39 6.649 15.774 -2.857
266 HD3 ARG 39 2HD ARG 39 7.939 16.698 -3.625
267 HE ARG 39 HE ARG 39 5.389 18.033 -3.607
268 HH11 ARG 39 1HH1 ARG 39 8.338 17.442 -1.854
269 HH12 ARG 39 2HH1 ARG 39 8.218 18.888 -0.906
270 HH21 ARG 39 1HH2 ARG 39 5.220 19.939 -2.366
271 HH22 ARG 39 2HH2 ARG 39 6.443 20.307 -1.198
272 HA PRO 40 HA PRO 40 4.305 15.894 -10.013
273 HB2 PRO 40 1HB PRO 40 2.753 18.118 -10.119
274 HB3 PRO 40 2HB PRO 40 2.087 16.481 -10.135
275 HG2 PRO 40 1HG PRO 40 2.335 18.402 -7.853
276 HG3 PRO 40 2HG PRO 40 0.974 17.353 -8.289
277 HD2 PRO 40 1HD PRO 40 2.727 16.724 -6.323
278 HD3 PRO 40 2HD PRO 40 1.939 15.492 -7.329
279 H SER 41 H SER 41 5.950 16.972 -10.903
280 HA SER 41 HA SER 41 7.285 19.045 -9.367
281 HB2 SER 41 1HB SER 41 8.051 17.723 -11.982
282 HB3 SER 41 2HB SER 41 9.061 18.849 -11.075
283 HG SER 41 HG SER 41 8.074 16.642 -9.698
284 H GLY 42 H GLY 42 4.792 19.867 -10.268
285 HA2 GLY 42 1HA GLY 42 3.805 21.678 -11.276
286 HA3 GLY 42 2HA GLY 42 5.427 22.300 -11.544
287 HA PRO 43 HA PRO 43 4.312 19.577 -15.397
288 HB2 PRO 43 1HB PRO 43 1.705 18.859 -15.631
289 HB3 PRO 43 2HB PRO 43 2.907 17.857 -14.808
290 HG2 PRO 43 1HG PRO 43 0.887 19.734 -13.642
291 HG3 PRO 43 2HG PRO 43 1.352 18.112 -13.098
292 HD2 PRO 43 1HD PRO 43 2.285 20.366 -11.924
293 HD3 PRO 43 2HD PRO 43 3.246 18.877 -12.029
294 H SER 44 H SER 44 2.985 22.318 -14.149
295 HA SER 44 HA SER 44 2.188 24.253 -15.043
296 HB2 SER 44 1HB SER 44 2.921 24.865 -17.167
297 HB3 SER 44 2HB SER 44 4.071 23.599 -16.737
298 HG SER 44 HG SER 44 2.384 23.680 -18.801
299 H SER 45 H SER 45 0.293 22.377 -14.428
300 HA SER 45 HA SER 45 -1.724 22.860 -16.513
301 HB2 SER 45 1HB SER 45 -0.845 20.446 -16.414
302 HB3 SER 45 2HB SER 45 -1.690 20.332 -14.870
303 HG SER 45 HG SER 45 -2.740 20.671 -17.456
304 H GLY 46 H GLY 46 -3.316 24.062 -15.734
305 HA2 GLY 46 1HA GLY 46 -4.789 25.044 -14.273
306 HA3 GLY 46 2HA GLY 46 -4.836 23.477 -13.478
Start of MODEL 8
1 H1 GLY 1 H GLY 1 3.914 -9.242 -29.471
2 HA2 GLY 1 1HA GLY 1 3.558 -7.945 -27.123
3 HA3 GLY 1 2HA GLY 1 1.981 -7.794 -27.884
4 H SER 2 H SER 2 2.394 -9.127 -25.458
5 HA SER 2 HA SER 2 1.229 -11.675 -26.095
6 HB2 SER 2 1HB SER 2 3.984 -11.528 -24.867
7 HB3 SER 2 2HB SER 2 2.947 -12.947 -24.714
8 HG SER 2 HG SER 2 2.867 -12.541 -27.205
9 H SER 3 H SER 3 0.585 -12.866 -24.114
10 HA SER 3 HA SER 3 0.376 -11.136 -21.749
11 HB2 SER 3 1HB SER 3 -1.886 -12.518 -23.192
12 HB3 SER 3 2HB SER 3 -2.019 -11.994 -21.514
13 HG SER 3 HG SER 3 -2.709 -10.500 -23.305
14 H GLY 4 H GLY 4 0.195 -12.211 -19.767
15 HA2 GLY 4 1HA GLY 4 1.431 -14.793 -19.696
16 HA3 GLY 4 2HA GLY 4 0.866 -13.870 -18.311
17 H SER 5 H SER 5 -1.312 -14.076 -17.641
18 HA SER 5 HA SER 5 -2.541 -16.595 -18.530
19 HB2 SER 5 1HB SER 5 -2.837 -15.085 -15.923
20 HB3 SER 5 2HB SER 5 -3.706 -16.565 -16.331
21 HG SER 5 HG SER 5 -1.432 -17.390 -16.718
22 H SER 6 H SER 6 -5.011 -16.596 -18.138
23 HA SER 6 HA SER 6 -6.112 -14.537 -19.805
24 HB2 SER 6 1HB SER 6 -6.863 -16.895 -19.944
25 HB3 SER 6 2HB SER 6 -7.528 -16.762 -18.316
26 HG SER 6 HG SER 6 -8.296 -14.988 -20.373
27 H GLY 7 H GLY 7 -7.696 -13.018 -19.272
28 HA2 GLY 7 1HA GLY 7 -8.978 -11.658 -17.900
29 HA3 GLY 7 2HA GLY 7 -8.606 -12.724 -16.552
30 H THR 8 H THR 8 -8.625 -10.209 -15.871
31 HA THR 8 HA THR 8 -5.978 -9.036 -16.188
32 HB THR 8 HB THR 8 -7.870 -7.518 -16.338
33 HG1 THR 8 HG1 THR 8 -7.028 -5.988 -14.986
34 HG21 THR 8 3HG2 THR 8 -9.522 -8.619 -15.008
35 HG22 THR 8 1HG2 THR 8 -9.213 -7.050 -14.265
36 HG23 THR 8 2HG2 THR 8 -8.516 -8.510 -13.564
37 H GLY 9 H GLY 9 -7.536 -11.152 -14.082
38 HA2 GLY 9 1HA GLY 9 -6.453 -12.251 -12.299
39 HA3 GLY 9 2HA GLY 9 -5.342 -10.896 -12.169
40 H GLU 10 H GLU 10 -8.318 -12.264 -11.108
41 HA GLU 10 HA GLU 10 -9.201 -9.893 -9.715
42 HB2 GLU 10 1HB GLU 10 -10.953 -11.417 -8.793
43 HB3 GLU 10 2HB GLU 10 -10.906 -11.359 -10.549
44 HG2 GLU 10 1HG GLU 10 -9.352 -13.484 -9.182
45 HG3 GLU 10 2HG GLU 10 -11.107 -13.632 -9.231
46 H LYS 11 H LYS 11 -8.727 -9.325 -7.691
47 HA LYS 11 HA LYS 11 -7.460 -11.323 -5.937
48 HB2 LYS 11 1HB LYS 11 -6.730 -8.402 -5.913
49 HB3 LYS 11 2HB LYS 11 -5.873 -9.744 -5.166
50 HG2 LYS 11 1HG LYS 11 -6.155 -9.332 -8.135
51 HG3 LYS 11 2HG LYS 11 -4.752 -8.856 -7.177
52 HD2 LYS 11 1HD LYS 11 -4.170 -11.075 -6.716
53 HD3 LYS 11 2HD LYS 11 -5.769 -11.680 -7.157
54 HE2 LYS 11 1HE LYS 11 -4.318 -12.280 -8.927
55 HE3 LYS 11 2HE LYS 11 -5.275 -10.920 -9.511
56 HZ1 LYS 11 3HZ LYS 11 -2.957 -10.654 -10.095
57 HZ2 LYS 11 1HZ LYS 11 -2.496 -10.772 -8.471
58 HZ3 LYS 11 2HZ LYS 11 -3.414 -9.453 -8.996
59 HA PRO 12 HA PRO 12 -10.422 -10.226 -2.886
60 HB2 PRO 12 1HB PRO 12 -8.999 -10.655 -0.614
61 HB3 PRO 12 2HB PRO 12 -9.595 -11.968 -1.636
62 HG2 PRO 12 1HG PRO 12 -6.861 -10.755 -1.515
63 HG3 PRO 12 2HG PRO 12 -7.323 -12.463 -1.625
64 HD2 PRO 12 1HD PRO 12 -6.503 -11.034 -3.774
65 HD3 PRO 12 2HD PRO 12 -7.692 -12.347 -3.897
66 H TYR 13 H TYR 13 -7.242 -8.724 -2.714
67 HA TYR 13 HA TYR 13 -8.406 -6.463 -1.235
68 HB2 TYR 13 1HB TYR 13 -5.462 -6.737 -1.659
69 HB3 TYR 13 2HB TYR 13 -6.337 -6.033 -0.304
70 HD1 TYR 13 HD2 TYR 13 -8.154 -8.216 0.449
71 HD2 TYR 13 HD1 TYR 13 -4.066 -8.345 -0.721
72 HE1 TYR 13 HE2 TYR 13 -7.861 -10.298 1.725
73 HE2 TYR 13 HE1 TYR 13 -3.761 -10.428 0.550
74 HH TYR 13 HH TYR 13 -5.689 -12.405 1.331
75 H LYS 14 H LYS 14 -9.055 -4.869 -2.512
76 HA LYS 14 HA LYS 14 -7.370 -4.147 -4.819
77 HB2 LYS 14 1HB LYS 14 -9.388 -5.083 -5.698
78 HB3 LYS 14 2HB LYS 14 -10.378 -4.150 -4.583
79 HG2 LYS 14 1HG LYS 14 -9.200 -2.125 -5.822
80 HG3 LYS 14 2HG LYS 14 -9.069 -3.326 -7.109
81 HD2 LYS 14 1HD LYS 14 -11.560 -3.749 -6.725
82 HD3 LYS 14 2HD LYS 14 -11.548 -2.250 -5.793
83 HE2 LYS 14 1HE LYS 14 -10.885 -0.980 -7.688
84 HE3 LYS 14 2HE LYS 14 -10.536 -2.434 -8.622
85 HZ1 LYS 14 3HZ LYS 14 -13.060 -2.885 -8.153
86 HZ2 LYS 14 1HZ LYS 14 -12.577 -1.899 -9.439
87 HZ3 LYS 14 2HZ LYS 14 -13.117 -1.202 -7.996
88 H CYS 15 H CYS 15 -6.799 -2.049 -5.023
89 HA CYS 15 HA CYS 15 -6.930 -0.318 -2.839
90 HB2 CYS 15 1HB CYS 15 -5.422 -0.344 -5.022
91 HB3 CYS 15 2HB CYS 15 -6.621 0.817 -5.582
92 H GLN 16 H GLN 16 -7.773 2.042 -3.152
93 HA GLN 16 HA GLN 16 -10.528 1.932 -4.186
94 HB2 GLN 16 1HB GLN 16 -9.734 3.461 -1.715
95 HB3 GLN 16 2HB GLN 16 -11.355 3.094 -2.288
96 HG2 GLN 16 1HG GLN 16 -9.558 0.825 -1.633
97 HG3 GLN 16 2HG GLN 16 -10.239 1.765 -0.305
98 HE21 GLN 16 1HE2 GLN 16 -10.878 -0.462 -2.863
99 HE22 GLN 16 2HE2 GLN 16 -12.519 -0.802 -2.445
100 H VAL 17 H VAL 17 -7.578 3.682 -3.828
101 HA VAL 17 HA VAL 17 -8.655 6.202 -4.743
102 HB VAL 17 HB VAL 17 -6.198 6.838 -4.893
103 HG11 VAL 17 1HG1 VAL 17 -7.473 5.941 -2.323
104 HG12 VAL 17 2HG1 VAL 17 -5.942 6.818 -2.368
105 HG13 VAL 17 3HG1 VAL 17 -7.407 7.565 -3.005
106 HG21 VAL 17 3HG2 VAL 17 -5.807 4.230 -3.433
107 HG22 VAL 17 1HG2 VAL 17 -5.398 4.487 -5.129
108 HG23 VAL 17 2HG2 VAL 17 -4.570 5.407 -3.873
109 H CYS 18 H CYS 18 -6.747 3.547 -6.086
110 HA CYS 18 HA CYS 18 -7.044 4.766 -8.753
111 HB2 CYS 18 1HB CYS 18 -5.052 3.597 -9.440
112 HB3 CYS 18 2HB CYS 18 -4.696 4.470 -7.953
113 H GLY 19 H GLY 19 -7.547 1.928 -6.796
114 HA2 GLY 19 1HA GLY 19 -9.236 0.336 -7.222
115 HA3 GLY 19 2HA GLY 19 -9.234 0.820 -8.911
116 H LYS 20 H LYS 20 -6.222 0.197 -7.323
117 HA LYS 20 HA LYS 20 -5.532 -1.830 -9.198
118 HB2 LYS 20 1HB LYS 20 -4.223 -0.539 -6.857
119 HB3 LYS 20 2HB LYS 20 -3.593 -2.095 -7.381
120 HG2 LYS 20 1HG LYS 20 -3.997 0.116 -9.352
121 HG3 LYS 20 2HG LYS 20 -2.560 0.070 -8.328
122 HD2 LYS 20 1HD LYS 20 -2.358 -2.380 -9.160
123 HD3 LYS 20 2HD LYS 20 -3.436 -1.850 -10.453
124 HE2 LYS 20 1HE LYS 20 -0.868 -0.442 -9.751
125 HE3 LYS 20 2HE LYS 20 -0.973 -1.719 -10.962
126 HZ1 LYS 20 3HZ LYS 20 -2.981 0.142 -11.503
127 HZ2 LYS 20 1HZ LYS 20 -1.608 -0.208 -12.427
128 HZ3 LYS 20 2HZ LYS 20 -1.550 1.009 -11.254
129 H ALA 21 H ALA 21 -4.404 -3.899 -8.190
130 HA ALA 21 HA ALA 21 -5.942 -5.049 -6.009
131 HB1 ALA 21 3HB ALA 21 -6.247 -5.874 -8.852
132 HB2 ALA 21 1HB ALA 21 -6.299 -7.116 -7.599
133 HB3 ALA 21 2HB ALA 21 -7.451 -5.779 -7.567
134 H PHE 22 H PHE 22 -4.981 -6.881 -5.082
135 HA PHE 22 HA PHE 22 -2.539 -7.944 -6.222
136 HB2 PHE 22 1HB PHE 22 -2.363 -6.798 -3.447
137 HB3 PHE 22 2HB PHE 22 -1.056 -7.285 -4.521
138 HD1 PHE 22 HD2 PHE 22 -3.895 -4.863 -4.450
139 HD2 PHE 22 HD1 PHE 22 0.149 -5.624 -5.540
140 HE1 PHE 22 HE2 PHE 22 -3.667 -2.537 -5.219
141 HE2 PHE 22 HE1 PHE 22 0.383 -3.299 -6.310
142 HZ PHE 22 HZ PHE 22 -1.527 -1.752 -6.151
143 H ARG 23 H ARG 23 -2.512 -10.059 -5.868
144 HA ARG 23 HA ARG 23 -4.444 -11.417 -4.390
145 HB2 ARG 23 1HB ARG 23 -2.564 -13.300 -4.511
146 HB3 ARG 23 2HB ARG 23 -3.496 -12.817 -5.922
147 HG2 ARG 23 1HG ARG 23 -1.730 -11.771 -6.907
148 HG3 ARG 23 2HG ARG 23 -0.970 -11.364 -5.367
149 HD2 ARG 23 1HD ARG 23 -1.085 -14.103 -6.625
150 HD3 ARG 23 2HD ARG 23 0.324 -13.044 -6.575
151 HE ARG 23 HE ARG 23 -0.730 -13.618 -3.976
152 HH11 ARG 23 1HH1 ARG 23 1.323 -14.802 -6.526
153 HH12 ARG 23 2HH1 ARG 23 2.282 -15.790 -5.474
154 HH21 ARG 23 1HH2 ARG 23 0.525 -14.915 -2.580
155 HH22 ARG 23 2HH2 ARG 23 1.826 -15.854 -3.229
156 H VAL 24 H VAL 24 -1.505 -9.941 -3.380
157 HA VAL 24 HA VAL 24 -1.726 -11.241 -0.744
158 HB VAL 24 HB VAL 24 0.596 -10.776 -0.359
159 HG11 VAL 24 1HG1 VAL 24 0.355 -12.815 -1.483
160 HG12 VAL 24 2HG1 VAL 24 -0.016 -12.027 -3.018
161 HG13 VAL 24 3HG1 VAL 24 1.624 -11.974 -2.372
162 HG21 VAL 24 3HG2 VAL 24 1.856 -9.282 -1.483
163 HG22 VAL 24 1HG2 VAL 24 1.168 -9.720 -3.046
164 HG23 VAL 24 2HG2 VAL 24 0.294 -8.628 -1.973
165 H SER 25 H SER 25 -1.040 -9.838 1.104
166 HA SER 25 HA SER 25 -2.364 -7.254 0.857
167 HB2 SER 25 1HB SER 25 -3.089 -8.571 2.726
168 HB3 SER 25 2HB SER 25 -1.428 -8.851 3.248
169 HG SER 25 HG SER 25 -1.296 -6.552 3.601
170 H SER 26 H SER 26 0.772 -8.607 1.752
171 HA SER 26 HA SER 26 2.063 -6.340 2.659
172 HB2 SER 26 1HB SER 26 4.165 -7.430 1.877
173 HB3 SER 26 2HB SER 26 3.114 -8.524 2.776
174 HG SER 26 HG SER 26 3.647 -8.437 0.014
175 H HIS 27 H HIS 27 2.037 -7.565 -0.691
176 HA HIS 27 HA HIS 27 3.422 -5.453 -1.860
177 HB2 HIS 27 1HB HIS 27 1.284 -7.250 -3.016
178 HB3 HIS 27 2HB HIS 27 2.264 -6.148 -3.979
179 HD2 HIS 27 HD2 HIS 27 4.633 -7.578 -1.499
180 HE1 HIS 27 HE1 HIS 27 4.673 -10.309 -4.746
181 HE2 HIS 27 HE2 HIS 27 5.772 -9.632 -2.583
182 H LEU 28 H LEU 28 -0.115 -5.929 -1.785
183 HA LEU 28 HA LEU 28 -0.945 -3.607 -2.952
184 HB2 LEU 28 1HB LEU 28 -2.606 -5.140 -2.382
185 HB3 LEU 28 2HB LEU 28 -2.088 -5.216 -0.700
186 HG LEU 28 HG LEU 28 -3.027 -3.018 -0.282
187 HD11 LEU 28 1HD1 LEU 28 -3.994 -3.044 -3.133
188 HD12 LEU 28 2HD1 LEU 28 -2.596 -2.129 -2.571
189 HD13 LEU 28 3HD1 LEU 28 -4.201 -1.763 -1.939
190 HD21 LEU 28 3HD2 LEU 28 -5.322 -4.174 -1.671
191 HD22 LEU 28 1HD2 LEU 28 -5.075 -3.855 0.046
192 HD23 LEU 28 2HD2 LEU 28 -4.435 -5.330 -0.678
193 H VAL 29 H VAL 29 0.257 -4.037 0.321
194 HA VAL 29 HA VAL 29 -0.446 -1.486 1.312
195 HB VAL 29 HB VAL 29 1.757 -3.370 2.157
196 HG11 VAL 29 1HG1 VAL 29 1.825 -2.067 4.245
197 HG12 VAL 29 2HG1 VAL 29 2.321 -1.114 2.845
198 HG13 VAL 29 3HG1 VAL 29 0.712 -0.899 3.535
199 HG21 VAL 29 3HG2 VAL 29 -1.078 -3.361 2.538
200 HG22 VAL 29 1HG2 VAL 29 0.115 -4.535 3.094
201 HG23 VAL 29 2HG2 VAL 29 -0.278 -3.135 4.093
202 H GLN 30 H GLN 30 2.687 -2.719 0.131
203 HA GLN 30 HA GLN 30 4.111 -0.342 0.281
204 HB2 GLN 30 1HB GLN 30 4.413 -2.559 -1.752
205 HB3 GLN 30 2HB GLN 30 5.616 -1.324 -1.407
206 HG2 GLN 30 1HG GLN 30 4.639 -3.477 0.452
207 HG3 GLN 30 2HG GLN 30 6.231 -3.350 -0.295
208 HE21 GLN 30 1HE2 GLN 30 4.034 -1.807 1.980
209 HE22 GLN 30 2HE2 GLN 30 5.260 -1.052 2.935
210 H HIS 31 H HIS 31 1.674 -1.318 -1.960
211 HA HIS 31 HA HIS 31 2.370 0.675 -3.941
212 HB2 HIS 31 1HB HIS 31 1.408 -1.088 -5.043
213 HB3 HIS 31 2HB HIS 31 0.342 -1.486 -3.699
214 HD1 HIS 31 HD1 HIS 31 0.608 0.813 -6.662
215 HD2 HIS 31 HD2 HIS 31 -2.175 -0.336 -3.799
216 HE1 HIS 31 HE1 HIS 31 -1.586 1.771 -7.433
217 H HIS 32 H HIS 32 0.342 0.407 -1.158
218 HA HIS 32 HA HIS 32 -1.529 2.433 -1.763
219 HB2 HIS 32 1HB HIS 32 -0.626 1.034 0.706
220 HB3 HIS 32 2HB HIS 32 -1.510 2.544 0.903
221 HD2 HIS 32 HD2 HIS 32 -2.502 -0.848 1.240
222 HE1 HIS 32 HE1 HIS 32 -5.588 0.693 -1.230
223 HE2 HIS 32 HE2 HIS 32 -4.911 -1.149 0.349
224 H SER 33 H SER 33 1.746 2.662 -1.386
225 HA SER 33 HA SER 33 1.597 5.415 -0.351
226 HB2 SER 33 1HB SER 33 3.686 3.285 -0.165
227 HB3 SER 33 2HB SER 33 4.202 4.972 -0.174
228 HG SER 33 HG SER 33 3.171 3.558 1.840
229 H VAL 34 H VAL 34 1.405 4.048 -3.176
230 HA VAL 34 HA VAL 34 3.519 5.479 -4.575
231 HB VAL 34 HB VAL 34 2.896 4.322 -6.522
232 HG11 VAL 34 1HG1 VAL 34 2.809 2.739 -4.021
233 HG12 VAL 34 2HG1 VAL 34 2.352 1.916 -5.513
234 HG13 VAL 34 3HG1 VAL 34 3.941 2.667 -5.371
235 HG21 VAL 34 3HG2 VAL 34 0.619 2.833 -6.037
236 HG22 VAL 34 1HG2 VAL 34 0.247 4.408 -5.335
237 HG23 VAL 34 2HG2 VAL 34 0.722 4.287 -7.030
238 H HIS 35 H HIS 35 0.368 6.066 -3.527
239 HA HIS 35 HA HIS 35 -0.155 8.031 -5.639
240 HB2 HIS 35 1HB HIS 35 -2.056 7.368 -3.407
241 HB3 HIS 35 2HB HIS 35 -2.416 7.993 -5.013
242 HD1 HIS 35 HD1 HIS 35 -1.891 6.182 -7.015
243 HD2 HIS 35 HD2 HIS 35 -2.416 4.695 -3.171
244 HE1 HIS 35 HE1 HIS 35 -2.399 3.736 -7.304
245 H SER 36 H SER 36 1.868 8.361 -3.506
246 HA SER 36 HA SER 36 0.741 10.495 -1.865
247 HB2 SER 36 1HB SER 36 2.905 10.461 -0.698
248 HB3 SER 36 2HB SER 36 2.205 8.845 -0.776
249 HG SER 36 HG SER 36 4.152 8.412 -1.508
250 H GLY 37 H GLY 37 3.119 9.992 -4.422
251 HA2 GLY 37 1HA GLY 37 4.306 12.504 -4.483
252 HA3 GLY 37 2HA GLY 37 4.098 11.465 -5.885
253 H GLU 38 H GLU 38 2.699 12.058 -7.438
254 HA GLU 38 HA GLU 38 0.764 14.182 -6.829
255 HB2 GLU 38 1HB GLU 38 2.715 14.121 -9.131
256 HB3 GLU 38 2HB GLU 38 1.308 15.175 -9.087
257 HG2 GLU 38 1HG GLU 38 3.434 15.181 -6.964
258 HG3 GLU 38 2HG GLU 38 3.483 16.216 -8.391
259 H ARG 39 H ARG 39 -1.147 14.121 -7.988
260 HA ARG 39 HA ARG 39 -1.518 11.753 -9.704
261 HB2 ARG 39 1HB ARG 39 -3.228 12.899 -7.532
262 HB3 ARG 39 2HB ARG 39 -3.996 12.062 -8.874
263 HG2 ARG 39 1HG ARG 39 -2.686 10.063 -8.388
264 HG3 ARG 39 2HG ARG 39 -1.898 10.903 -7.051
265 HD2 ARG 39 1HD ARG 39 -4.855 10.357 -7.282
266 HD3 ARG 39 2HD ARG 39 -3.722 9.445 -6.287
267 HE ARG 39 HE ARG 39 -3.676 11.188 -4.769
268 HH11 ARG 39 1HH1 ARG 39 -5.426 12.115 -7.633
269 HH12 ARG 39 2HH1 ARG 39 -6.082 13.553 -6.924
270 HH21 ARG 39 1HH2 ARG 39 -4.534 13.079 -3.825
271 HH22 ARG 39 2HH2 ARG 39 -5.574 14.101 -4.758
272 HA PRO 40 HA PRO 40 -2.833 14.481 -12.893
273 HB2 PRO 40 1HB PRO 40 -4.409 12.789 -14.316
274 HB3 PRO 40 2HB PRO 40 -2.644 12.682 -14.310
275 HG2 PRO 40 1HG PRO 40 -4.644 11.083 -12.758
276 HG3 PRO 40 2HG PRO 40 -3.183 10.534 -13.600
277 HD2 PRO 40 1HD PRO 40 -3.265 10.915 -10.920
278 HD3 PRO 40 2HD PRO 40 -1.795 11.185 -11.878
279 H SER 41 H SER 41 -4.784 15.398 -13.898
280 HA SER 41 HA SER 41 -6.689 16.173 -11.987
281 HB2 SER 41 1HB SER 41 -6.696 16.385 -15.003
282 HB3 SER 41 2HB SER 41 -7.924 17.124 -13.976
283 HG SER 41 HG SER 41 -5.267 17.635 -13.333
284 H GLY 42 H GLY 42 -7.803 14.509 -11.053
285 HA2 GLY 42 1HA GLY 42 -9.599 13.005 -12.853
286 HA3 GLY 42 2HA GLY 42 -8.798 12.237 -11.490
287 HA PRO 43 HA PRO 43 -13.004 14.194 -10.368
288 HB2 PRO 43 1HB PRO 43 -14.517 11.940 -10.340
289 HB3 PRO 43 2HB PRO 43 -14.338 12.959 -11.773
290 HG2 PRO 43 1HG PRO 43 -12.936 10.408 -11.076
291 HG3 PRO 43 2HG PRO 43 -13.615 10.922 -12.631
292 HD2 PRO 43 1HD PRO 43 -10.969 11.072 -12.075
293 HD3 PRO 43 2HD PRO 43 -11.790 12.236 -13.136
294 H SER 44 H SER 44 -14.522 13.088 -8.552
295 HA SER 44 HA SER 44 -13.091 11.449 -6.671
296 HB2 SER 44 1HB SER 44 -11.993 13.461 -6.051
297 HB3 SER 44 2HB SER 44 -13.484 14.397 -6.153
298 HG SER 44 HG SER 44 -13.961 13.821 -4.188
299 H SER 45 H SER 45 -14.478 10.350 -5.414
300 HA SER 45 HA SER 45 -17.079 11.405 -4.738
301 HB2 SER 45 1HB SER 45 -16.740 9.162 -6.716
302 HB3 SER 45 2HB SER 45 -18.185 9.277 -5.712
303 HG SER 45 HG SER 45 -18.636 10.386 -7.557
304 H GLY 46 H GLY 46 -17.104 10.981 -2.630
305 HA2 GLY 46 1HA GLY 46 -17.643 8.928 -1.198
306 HA3 GLY 46 2HA GLY 46 -16.050 8.387 -1.706
Start of MODEL 9
1 H1 GLY 1 H GLY 1 2.201 -22.220 -25.447
2 HA2 GLY 1 1HA GLY 1 0.542 -21.852 -23.905
3 HA3 GLY 1 2HA GLY 1 1.414 -22.985 -22.882
4 H SER 2 H SER 2 0.315 -19.858 -23.146
5 HA SER 2 HA SER 2 2.271 -18.890 -21.165
6 HB2 SER 2 1HB SER 2 1.823 -16.635 -21.921
7 HB3 SER 2 2HB SER 2 2.218 -17.628 -23.324
8 HG SER 2 HG SER 2 -0.460 -17.555 -22.698
9 H SER 3 H SER 3 1.562 -18.143 -19.236
10 HA SER 3 HA SER 3 -1.298 -17.725 -18.817
11 HB2 SER 3 1HB SER 3 -1.442 -19.226 -16.950
12 HB3 SER 3 2HB SER 3 -0.757 -20.135 -18.297
13 HG SER 3 HG SER 3 0.482 -20.563 -16.507
14 H GLY 4 H GLY 4 -1.679 -16.943 -16.487
15 HA2 GLY 4 1HA GLY 4 0.035 -14.684 -16.066
16 HA3 GLY 4 2HA GLY 4 -1.367 -15.123 -15.102
17 H SER 5 H SER 5 1.970 -14.890 -15.147
18 HA SER 5 HA SER 5 2.810 -17.003 -13.530
19 HB2 SER 5 1HB SER 5 4.764 -15.660 -13.035
20 HB3 SER 5 2HB SER 5 4.318 -15.408 -14.723
21 HG SER 5 HG SER 5 4.803 -13.496 -13.294
22 H SER 6 H SER 6 1.608 -13.788 -12.636
23 HA SER 6 HA SER 6 1.287 -14.770 -9.875
24 HB2 SER 6 1HB SER 6 2.939 -12.796 -10.440
25 HB3 SER 6 2HB SER 6 1.456 -11.842 -10.480
26 HG SER 6 HG SER 6 2.759 -13.009 -8.340
27 H GLY 7 H GLY 7 -0.665 -15.254 -11.796
28 HA2 GLY 7 1HA GLY 7 -2.847 -13.585 -10.744
29 HA3 GLY 7 2HA GLY 7 -2.707 -13.825 -12.479
30 H THR 8 H THR 8 -4.316 -14.839 -9.828
31 HA THR 8 HA THR 8 -4.940 -17.426 -11.078
32 HB THR 8 HB THR 8 -3.504 -17.821 -9.101
33 HG1 THR 8 HG1 THR 8 -5.302 -19.256 -9.736
34 HG21 THR 8 3HG2 THR 8 -4.802 -17.457 -6.860
35 HG22 THR 8 1HG2 THR 8 -5.638 -16.201 -7.772
36 HG23 THR 8 2HG2 THR 8 -3.887 -16.129 -7.572
37 H GLY 9 H GLY 9 -6.361 -15.033 -11.455
38 HA2 GLY 9 1HA GLY 9 -8.747 -14.919 -11.702
39 HA3 GLY 9 2HA GLY 9 -8.906 -15.767 -10.171
40 H GLU 10 H GLU 10 -10.473 -13.771 -10.151
41 HA GLU 10 HA GLU 10 -9.584 -11.184 -9.748
42 HB2 GLU 10 1HB GLU 10 -11.941 -12.692 -8.645
43 HB3 GLU 10 2HB GLU 10 -11.660 -11.007 -8.227
44 HG2 GLU 10 1HG GLU 10 -11.680 -10.463 -10.649
45 HG3 GLU 10 2HG GLU 10 -12.125 -12.137 -10.976
46 H LYS 11 H LYS 11 -8.498 -10.161 -8.192
47 HA LYS 11 HA LYS 11 -7.483 -11.667 -5.954
48 HB2 LYS 11 1HB LYS 11 -7.079 -8.803 -6.827
49 HB3 LYS 11 2HB LYS 11 -6.290 -9.516 -5.427
50 HG2 LYS 11 1HG LYS 11 -4.972 -10.919 -6.725
51 HG3 LYS 11 2HG LYS 11 -6.029 -10.771 -8.131
52 HD2 LYS 11 1HD LYS 11 -5.354 -8.402 -8.342
53 HD3 LYS 11 2HD LYS 11 -4.240 -8.623 -6.991
54 HE2 LYS 11 1HE LYS 11 -2.807 -9.945 -8.217
55 HE3 LYS 11 2HE LYS 11 -4.070 -10.463 -9.333
56 HZ1 LYS 11 3HZ LYS 11 -3.646 -8.768 -10.692
57 HZ2 LYS 11 1HZ LYS 11 -2.204 -8.558 -9.830
58 HZ3 LYS 11 2HZ LYS 11 -3.568 -7.640 -9.433
59 HA PRO 12 HA PRO 12 -10.481 -10.461 -2.966
60 HB2 PRO 12 1HB PRO 12 -8.989 -10.734 -0.714
61 HB3 PRO 12 2HB PRO 12 -9.601 -12.114 -1.634
62 HG2 PRO 12 1HG PRO 12 -6.877 -10.873 -1.668
63 HG3 PRO 12 2HG PRO 12 -7.325 -12.589 -1.658
64 HD2 PRO 12 1HD PRO 12 -6.581 -11.291 -3.915
65 HD3 PRO 12 2HD PRO 12 -7.760 -12.618 -3.921
66 H TYR 13 H TYR 13 -7.294 -8.946 -2.915
67 HA TYR 13 HA TYR 13 -8.409 -6.625 -1.510
68 HB2 TYR 13 1HB TYR 13 -5.508 -6.898 -2.202
69 HB3 TYR 13 2HB TYR 13 -6.254 -6.069 -0.841
70 HD1 TYR 13 HD2 TYR 13 -8.045 -8.300 0.109
71 HD2 TYR 13 HD1 TYR 13 -3.962 -8.286 -1.090
72 HE1 TYR 13 HE2 TYR 13 -7.625 -10.260 1.535
73 HE2 TYR 13 HE1 TYR 13 -3.532 -10.246 0.331
74 HH TYR 13 HH TYR 13 -5.649 -12.257 1.380
75 H LYS 14 H LYS 14 -8.408 -4.587 -2.386
76 HA LYS 14 HA LYS 14 -7.184 -4.048 -4.938
77 HB2 LYS 14 1HB LYS 14 -9.161 -5.124 -5.766
78 HB3 LYS 14 2HB LYS 14 -10.186 -4.214 -4.663
79 HG2 LYS 14 1HG LYS 14 -9.126 -2.164 -5.966
80 HG3 LYS 14 2HG LYS 14 -8.945 -3.389 -7.224
81 HD2 LYS 14 1HD LYS 14 -11.444 -3.918 -6.647
82 HD3 LYS 14 2HD LYS 14 -11.430 -2.278 -5.995
83 HE2 LYS 14 1HE LYS 14 -10.416 -1.604 -8.254
84 HE3 LYS 14 2HE LYS 14 -10.954 -3.186 -8.816
85 HZ1 LYS 14 3HZ LYS 14 -12.619 -1.557 -9.313
86 HZ2 LYS 14 1HZ LYS 14 -12.664 -1.027 -7.707
87 HZ3 LYS 14 2HZ LYS 14 -13.216 -2.576 -8.102
88 H CYS 15 H CYS 15 -6.591 -1.975 -5.017
89 HA CYS 15 HA CYS 15 -6.912 -0.223 -2.888
90 HB2 CYS 15 1HB CYS 15 -5.307 -0.212 -5.004
91 HB3 CYS 15 2HB CYS 15 -6.519 0.906 -5.622
92 H GLN 16 H GLN 16 -7.820 2.106 -3.268
93 HA GLN 16 HA GLN 16 -10.519 1.889 -4.425
94 HB2 GLN 16 1HB GLN 16 -9.879 3.440 -1.919
95 HB3 GLN 16 2HB GLN 16 -11.466 3.061 -2.577
96 HG2 GLN 16 1HG GLN 16 -9.540 0.985 -1.568
97 HG3 GLN 16 2HG GLN 16 -10.795 1.727 -0.578
98 HE21 GLN 16 1HE2 GLN 16 -10.310 -1.063 -1.581
99 HE22 GLN 16 2HE2 GLN 16 -11.807 -1.527 -2.306
100 H VAL 17 H VAL 17 -7.678 3.792 -3.862
101 HA VAL 17 HA VAL 17 -8.793 6.248 -4.874
102 HB VAL 17 HB VAL 17 -6.348 6.965 -4.914
103 HG11 VAL 17 1HG1 VAL 17 -7.678 7.692 -3.112
104 HG12 VAL 17 2HG1 VAL 17 -7.743 6.077 -2.403
105 HG13 VAL 17 3HG1 VAL 17 -6.236 6.993 -2.376
106 HG21 VAL 17 3HG2 VAL 17 -5.874 4.510 -3.256
107 HG22 VAL 17 1HG2 VAL 17 -5.596 4.510 -4.998
108 HG23 VAL 17 2HG2 VAL 17 -4.696 5.616 -3.961
109 H CYS 18 H CYS 18 -6.826 3.609 -6.123
110 HA CYS 18 HA CYS 18 -6.974 4.838 -8.798
111 HB2 CYS 18 1HB CYS 18 -4.942 3.672 -9.383
112 HB3 CYS 18 2HB CYS 18 -4.668 4.567 -7.892
113 H GLY 19 H GLY 19 -7.459 1.944 -6.890
114 HA2 GLY 19 1HA GLY 19 -9.128 0.341 -7.387
115 HA3 GLY 19 2HA GLY 19 -9.076 0.845 -9.070
116 H LYS 20 H LYS 20 -6.127 0.232 -7.348
117 HA LYS 20 HA LYS 20 -5.322 -1.746 -9.233
118 HB2 LYS 20 1HB LYS 20 -4.136 -0.494 -6.803
119 HB3 LYS 20 2HB LYS 20 -3.454 -2.018 -7.354
120 HG2 LYS 20 1HG LYS 20 -3.820 0.282 -9.236
121 HG3 LYS 20 2HG LYS 20 -2.404 0.166 -8.187
122 HD2 LYS 20 1HD LYS 20 -3.154 -2.223 -9.790
123 HD3 LYS 20 2HD LYS 20 -2.424 -0.855 -10.634
124 HE2 LYS 20 1HE LYS 20 -0.524 -0.921 -9.097
125 HE3 LYS 20 2HE LYS 20 -1.256 -2.279 -8.244
126 HZ1 LYS 20 3HZ LYS 20 -0.945 -2.646 -11.098
127 HZ2 LYS 20 1HZ LYS 20 -0.631 -3.717 -9.827
128 HZ3 LYS 20 2HZ LYS 20 0.506 -2.534 -10.235
129 H ALA 21 H ALA 21 -4.244 -3.833 -8.264
130 HA ALA 21 HA ALA 21 -5.852 -5.040 -6.159
131 HB1 ALA 21 3HB ALA 21 -7.110 -5.435 -8.254
132 HB2 ALA 21 1HB ALA 21 -5.710 -6.293 -8.897
133 HB3 ALA 21 2HB ALA 21 -6.559 -6.923 -7.484
134 H PHE 22 H PHE 22 -4.823 -6.685 -5.087
135 HA PHE 22 HA PHE 22 -2.370 -7.806 -6.171
136 HB2 PHE 22 1HB PHE 22 -2.221 -6.624 -3.419
137 HB3 PHE 22 2HB PHE 22 -0.913 -7.039 -4.521
138 HD1 PHE 22 HD2 PHE 22 -3.872 -4.765 -4.418
139 HD2 PHE 22 HD1 PHE 22 0.211 -5.300 -5.495
140 HE1 PHE 22 HE2 PHE 22 -3.766 -2.423 -5.165
141 HE2 PHE 22 HE1 PHE 22 0.324 -2.958 -6.243
142 HZ PHE 22 HZ PHE 22 -1.667 -1.517 -6.079
143 H ARG 23 H ARG 23 -2.854 -9.901 -6.010
144 HA ARG 23 HA ARG 23 -4.631 -11.163 -4.374
145 HB2 ARG 23 1HB ARG 23 -3.313 -13.229 -4.720
146 HB3 ARG 23 2HB ARG 23 -3.543 -12.316 -6.205
147 HG2 ARG 23 1HG ARG 23 -1.322 -11.637 -6.281
148 HG3 ARG 23 2HG ARG 23 -1.060 -11.984 -4.570
149 HD2 ARG 23 1HD ARG 23 -1.405 -13.961 -6.816
150 HD3 ARG 23 2HD ARG 23 0.040 -13.679 -5.847
151 HE ARG 23 HE ARG 23 -1.958 -14.408 -4.081
152 HH11 ARG 23 1HH1 ARG 23 -0.303 -15.814 -6.802
153 HH12 ARG 23 2HH1 ARG 23 -0.475 -17.441 -6.232
154 HH21 ARG 23 1HH2 ARG 23 -2.190 -16.546 -3.320
155 HH22 ARG 23 2HH2 ARG 23 -1.549 -17.857 -4.251
156 H VAL 24 H VAL 24 -1.603 -9.814 -3.483
157 HA VAL 24 HA VAL 24 -1.758 -11.120 -0.845
158 HB VAL 24 HB VAL 24 0.565 -10.880 -0.572
159 HG11 VAL 24 1HG1 VAL 24 -0.449 -12.358 -2.631
160 HG12 VAL 24 2HG1 VAL 24 0.829 -11.442 -3.432
161 HG13 VAL 24 3HG1 VAL 24 1.208 -12.451 -2.035
162 HG21 VAL 24 3HG2 VAL 24 1.600 -9.037 -1.256
163 HG22 VAL 24 1HG2 VAL 24 1.512 -9.626 -2.917
164 HG23 VAL 24 2HG2 VAL 24 0.224 -8.610 -2.272
165 H SER 25 H SER 25 -1.180 -9.808 1.014
166 HA SER 25 HA SER 25 -2.402 -7.203 0.866
167 HB2 SER 25 1HB SER 25 -2.914 -8.512 2.805
168 HB3 SER 25 2HB SER 25 -1.205 -8.782 3.149
169 HG SER 25 HG SER 25 -2.095 -7.147 4.477
170 H SER 26 H SER 26 0.823 -8.478 1.618
171 HA SER 26 HA SER 26 2.164 -6.209 2.330
172 HB2 SER 26 1HB SER 26 3.382 -8.233 2.377
173 HB3 SER 26 2HB SER 26 3.053 -8.568 0.677
174 HG SER 26 HG SER 26 5.098 -7.800 0.711
175 H HIS 27 H HIS 27 2.519 -7.421 -0.990
176 HA HIS 27 HA HIS 27 3.515 -5.281 -2.247
177 HB2 HIS 27 1HB HIS 27 1.408 -7.212 -3.178
178 HB3 HIS 27 2HB HIS 27 1.997 -5.939 -4.243
179 HD2 HIS 27 HD2 HIS 27 4.660 -7.635 -2.008
180 HE1 HIS 27 HE1 HIS 27 5.076 -9.179 -5.938
181 HE2 HIS 27 HE2 HIS 27 6.035 -9.130 -3.610
182 H LEU 28 H LEU 28 0.009 -5.743 -1.787
183 HA LEU 28 HA LEU 28 -0.862 -3.356 -2.883
184 HB2 LEU 28 1HB LEU 28 -2.499 -4.940 -2.363
185 HB3 LEU 28 2HB LEU 28 -1.943 -5.097 -0.698
186 HG LEU 28 HG LEU 28 -2.851 -2.874 -0.193
187 HD11 LEU 28 1HD1 LEU 28 -3.857 -2.949 -3.034
188 HD12 LEU 28 2HD1 LEU 28 -2.625 -1.862 -2.392
189 HD13 LEU 28 3HD1 LEU 28 -4.289 -1.746 -1.819
190 HD21 LEU 28 3HD2 LEU 28 -4.657 -4.013 0.406
191 HD22 LEU 28 1HD2 LEU 28 -4.328 -5.232 -0.824
192 HD23 LEU 28 2HD2 LEU 28 -5.304 -3.818 -1.224
193 H VAL 29 H VAL 29 0.344 -4.017 0.363
194 HA VAL 29 HA VAL 29 -0.298 -1.548 1.538
195 HB VAL 29 HB VAL 29 1.992 -3.415 2.169
196 HG11 VAL 29 1HG1 VAL 29 1.047 -1.866 4.394
197 HG12 VAL 29 2HG1 VAL 29 2.678 -1.993 3.732
198 HG13 VAL 29 3HG1 VAL 29 1.552 -0.800 3.083
199 HG21 VAL 29 3HG2 VAL 29 0.083 -3.585 4.164
200 HG22 VAL 29 1HG2 VAL 29 -0.863 -3.505 2.678
201 HG23 VAL 29 2HG2 VAL 29 0.360 -4.760 2.879
202 H GLN 30 H GLN 30 2.795 -2.649 0.140
203 HA GLN 30 HA GLN 30 4.167 -0.234 0.406
204 HB2 GLN 30 1HB GLN 30 4.508 -2.381 -1.696
205 HB3 GLN 30 2HB GLN 30 5.671 -1.107 -1.353
206 HG2 GLN 30 1HG GLN 30 4.875 -3.419 0.381
207 HG3 GLN 30 2HG GLN 30 6.470 -3.019 -0.256
208 HE21 GLN 30 1HE2 GLN 30 4.010 -2.130 2.068
209 HE22 GLN 30 2HE2 GLN 30 5.052 -1.236 3.118
210 H HIS 31 H HIS 31 1.791 -1.249 -1.908
211 HA HIS 31 HA HIS 31 2.386 0.833 -3.811
212 HB2 HIS 31 1HB HIS 31 1.438 -0.946 -4.917
213 HB3 HIS 31 2HB HIS 31 0.364 -1.345 -3.580
214 HD1 HIS 31 HD1 HIS 31 0.653 0.955 -6.537
215 HD2 HIS 31 HD2 HIS 31 -2.141 -0.162 -3.672
216 HE1 HIS 31 HE1 HIS 31 -1.530 1.937 -7.308
217 H HIS 32 H HIS 32 0.488 0.504 -0.964
218 HA HIS 32 HA HIS 32 -1.427 2.536 -1.508
219 HB2 HIS 32 1HB HIS 32 -0.542 1.022 0.902
220 HB3 HIS 32 2HB HIS 32 -1.440 2.515 1.154
221 HD2 HIS 32 HD2 HIS 32 -2.394 -0.913 1.297
222 HE1 HIS 32 HE1 HIS 32 -5.489 0.743 -1.085
223 HE2 HIS 32 HE2 HIS 32 -4.798 -1.184 0.382
224 H SER 33 H SER 33 1.820 2.775 -1.223
225 HA SER 33 HA SER 33 1.689 5.457 -0.009
226 HB2 SER 33 1HB SER 33 4.037 3.552 -0.179
227 HB3 SER 33 2HB SER 33 4.103 5.182 0.492
228 HG SER 33 HG SER 33 2.168 4.163 1.780
229 H VAL 34 H VAL 34 1.573 4.148 -2.903
230 HA VAL 34 HA VAL 34 3.677 5.612 -4.244
231 HB VAL 34 HB VAL 34 2.865 4.665 -6.282
232 HG11 VAL 34 1HG1 VAL 34 2.960 2.843 -3.920
233 HG12 VAL 34 2HG1 VAL 34 2.581 2.185 -5.513
234 HG13 VAL 34 3HG1 VAL 34 4.108 3.026 -5.246
235 HG21 VAL 34 3HG2 VAL 34 0.716 3.073 -5.811
236 HG22 VAL 34 1HG2 VAL 34 0.355 4.454 -4.775
237 HG23 VAL 34 2HG2 VAL 34 0.626 4.693 -6.501
238 H HIS 35 H HIS 35 0.310 6.029 -3.486
239 HA HIS 35 HA HIS 35 -0.039 8.220 -5.350
240 HB2 HIS 35 1HB HIS 35 -1.960 7.517 -3.148
241 HB3 HIS 35 2HB HIS 35 -2.300 8.230 -4.722
242 HD1 HIS 35 HD1 HIS 35 -1.638 6.446 -6.791
243 HD2 HIS 35 HD2 HIS 35 -2.611 4.903 -3.058
244 HE1 HIS 35 HE1 HIS 35 -2.279 4.049 -7.201
245 H SER 36 H SER 36 2.011 8.422 -3.260
246 HA SER 36 HA SER 36 1.016 10.860 -1.941
247 HB2 SER 36 1HB SER 36 2.587 10.294 -0.044
248 HB3 SER 36 2HB SER 36 1.198 9.220 -0.203
249 HG SER 36 HG SER 36 2.887 7.867 -0.002
250 H GLY 37 H GLY 37 2.062 12.589 -2.652
251 HA2 GLY 37 1HA GLY 37 4.899 12.751 -2.723
252 HA3 GLY 37 2HA GLY 37 4.253 12.588 -4.349
253 H GLU 38 H GLU 38 2.960 14.251 -5.214
254 HA GLU 38 HA GLU 38 3.545 16.857 -4.058
255 HB2 GLU 38 1HB GLU 38 2.380 16.014 -6.712
256 HB3 GLU 38 2HB GLU 38 2.546 17.694 -6.223
257 HG2 GLU 38 1HG GLU 38 4.918 15.883 -6.187
258 HG3 GLU 38 2HG GLU 38 4.364 16.597 -7.701
259 H ARG 39 H ARG 39 2.110 18.109 -3.041
260 HA ARG 39 HA ARG 39 -0.507 17.074 -2.466
261 HB2 ARG 39 1HB ARG 39 1.087 19.450 -1.598
262 HB3 ARG 39 2HB ARG 39 -0.649 19.444 -1.321
263 HG2 ARG 39 1HG ARG 39 -0.489 17.458 0.014
264 HG3 ARG 39 2HG ARG 39 1.224 17.287 -0.376
265 HD2 ARG 39 1HD ARG 39 1.359 18.283 1.684
266 HD3 ARG 39 2HD ARG 39 1.369 19.702 0.639
267 HE ARG 39 HE ARG 39 -0.734 20.263 1.410
268 HH11 ARG 39 1HH1 ARG 39 0.161 17.095 2.542
269 HH12 ARG 39 2HH1 ARG 39 -1.142 16.990 3.679
270 HH21 ARG 39 1HH2 ARG 39 -2.454 20.137 2.902
271 HH22 ARG 39 2HH2 ARG 39 -2.630 18.721 3.882
272 HA PRO 40 HA PRO 40 -2.677 19.060 -5.754
273 HB2 PRO 40 1HB PRO 40 -5.178 18.915 -4.707
274 HB3 PRO 40 2HB PRO 40 -4.335 17.514 -5.378
275 HG2 PRO 40 1HG PRO 40 -4.646 18.347 -2.520
276 HG3 PRO 40 2HG PRO 40 -4.781 16.730 -3.235
277 HD2 PRO 40 1HD PRO 40 -2.556 17.568 -1.938
278 HD3 PRO 40 2HD PRO 40 -2.497 16.430 -3.300
279 H SER 41 H SER 41 -4.310 20.848 -6.056
280 HA SER 41 HA SER 41 -3.762 22.996 -4.119
281 HB2 SER 41 1HB SER 41 -3.038 23.114 -6.639
282 HB3 SER 41 2HB SER 41 -4.731 23.527 -6.907
283 HG SER 41 HG SER 41 -3.872 25.456 -6.522
284 H GLY 42 H GLY 42 -5.419 24.307 -3.381
285 HA2 GLY 42 1HA GLY 42 -7.750 25.065 -3.660
286 HA3 GLY 42 2HA GLY 42 -8.149 23.400 -4.057
287 HA PRO 43 HA PRO 43 -8.365 24.412 0.633
288 HB2 PRO 43 1HB PRO 43 -10.984 25.089 0.866
289 HB3 PRO 43 2HB PRO 43 -9.705 26.278 0.592
290 HG2 PRO 43 1HG PRO 43 -11.593 25.040 -1.374
291 HG3 PRO 43 2HG PRO 43 -11.076 26.731 -1.231
292 HD2 PRO 43 1HD PRO 43 -10.025 25.036 -3.062
293 HD3 PRO 43 2HD PRO 43 -9.082 26.344 -2.321
294 H SER 44 H SER 44 -8.173 22.244 1.058
295 HA SER 44 HA SER 44 -10.305 20.409 0.358
296 HB2 SER 44 1HB SER 44 -7.557 20.156 1.494
297 HB3 SER 44 2HB SER 44 -8.707 18.858 1.811
298 HG SER 44 HG SER 44 -8.537 19.770 -0.809
299 H SER 45 H SER 45 -11.210 22.413 2.047
300 HA SER 45 HA SER 45 -12.161 22.851 4.089
301 HB2 SER 45 1HB SER 45 -12.883 20.005 3.448
302 HB3 SER 45 2HB SER 45 -13.468 20.763 4.929
303 HG SER 45 HG SER 45 -15.007 21.280 3.515
304 H GLY 46 H GLY 46 -9.439 22.419 4.399
305 HA2 GLY 46 1HA GLY 46 -8.816 22.361 6.929
306 HA3 GLY 46 2HA GLY 46 -9.189 20.655 6.732
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -14.126 2.937 -22.369
2 HA2 GLY 1 1HA GLY 1 -14.485 0.563 -23.714
3 HA3 GLY 1 2HA GLY 1 -13.698 1.625 -24.872
4 H SER 2 H SER 2 -13.122 -0.722 -22.685
5 HA SER 2 HA SER 2 -10.713 0.326 -21.495
6 HB2 SER 2 1HB SER 2 -12.377 -1.524 -20.603
7 HB3 SER 2 2HB SER 2 -11.333 -2.600 -21.532
8 HG SER 2 HG SER 2 -9.652 -2.107 -20.245
9 H SER 3 H SER 3 -8.742 0.283 -22.343
10 HA SER 3 HA SER 3 -8.279 -1.420 -24.702
11 HB2 SER 3 1HB SER 3 -7.377 1.340 -23.990
12 HB3 SER 3 2HB SER 3 -6.322 0.341 -24.991
13 HG SER 3 HG SER 3 -7.643 1.400 -26.390
14 H GLY 4 H GLY 4 -7.258 -3.212 -24.049
15 HA2 GLY 4 1HA GLY 4 -5.336 -4.400 -23.454
16 HA3 GLY 4 2HA GLY 4 -4.664 -2.926 -22.772
17 H SER 5 H SER 5 -7.375 -5.169 -22.192
18 HA SER 5 HA SER 5 -7.314 -4.610 -19.359
19 HB2 SER 5 1HB SER 5 -8.955 -6.529 -21.023
20 HB3 SER 5 2HB SER 5 -9.128 -6.358 -19.276
21 HG SER 5 HG SER 5 -9.493 -4.057 -19.751
22 H SER 6 H SER 6 -4.862 -5.574 -20.163
23 HA SER 6 HA SER 6 -4.393 -8.288 -20.060
24 HB2 SER 6 1HB SER 6 -2.694 -6.073 -18.890
25 HB3 SER 6 2HB SER 6 -2.137 -7.715 -19.208
26 HG SER 6 HG SER 6 -2.798 -7.286 -21.448
27 H GLY 7 H GLY 7 -3.668 -9.685 -18.348
28 HA2 GLY 7 1HA GLY 7 -3.690 -10.564 -16.214
29 HA3 GLY 7 2HA GLY 7 -4.002 -8.946 -15.603
30 H THR 8 H THR 8 -5.425 -11.919 -16.728
31 HA THR 8 HA THR 8 -8.127 -10.945 -16.208
32 HB THR 8 HB THR 8 -7.777 -12.315 -18.214
33 HG1 THR 8 HG1 THR 8 -9.713 -12.501 -16.614
34 HG21 THR 8 3HG2 THR 8 -6.915 -14.447 -18.220
35 HG22 THR 8 1HG2 THR 8 -7.361 -14.751 -16.542
36 HG23 THR 8 2HG2 THR 8 -5.973 -13.728 -16.914
37 H GLY 9 H GLY 9 -7.252 -10.716 -13.870
38 HA2 GLY 9 1HA GLY 9 -8.194 -13.077 -12.415
39 HA3 GLY 9 2HA GLY 9 -6.589 -12.470 -12.033
40 H GLU 10 H GLU 10 -9.090 -12.663 -10.418
41 HA GLU 10 HA GLU 10 -9.382 -9.809 -9.744
42 HB2 GLU 10 1HB GLU 10 -11.518 -10.676 -8.562
43 HB3 GLU 10 2HB GLU 10 -11.531 -10.494 -10.311
44 HG2 GLU 10 1HG GLU 10 -10.753 -13.127 -9.184
45 HG3 GLU 10 2HG GLU 10 -12.452 -12.660 -9.128
46 H LYS 11 H LYS 11 -8.097 -9.338 -8.084
47 HA LYS 11 HA LYS 11 -7.433 -11.319 -6.082
48 HB2 LYS 11 1HB LYS 11 -6.670 -8.399 -6.114
49 HB3 LYS 11 2HB LYS 11 -5.888 -9.698 -5.223
50 HG2 LYS 11 1HG LYS 11 -5.971 -9.496 -8.225
51 HG3 LYS 11 2HG LYS 11 -4.626 -8.962 -7.215
52 HD2 LYS 11 1HD LYS 11 -3.887 -11.058 -7.714
53 HD3 LYS 11 2HD LYS 11 -4.846 -11.440 -6.282
54 HE2 LYS 11 1HE LYS 11 -5.496 -13.034 -7.871
55 HE3 LYS 11 2HE LYS 11 -6.783 -11.829 -7.899
56 HZ1 LYS 11 3HZ LYS 11 -5.048 -12.649 -9.994
57 HZ2 LYS 11 1HZ LYS 11 -4.942 -10.978 -9.755
58 HZ3 LYS 11 2HZ LYS 11 -6.442 -11.693 -10.072
59 HA PRO 12 HA PRO 12 -10.425 -10.222 -3.061
60 HB2 PRO 12 1HB PRO 12 -9.039 -10.695 -0.775
61 HB3 PRO 12 2HB PRO 12 -9.637 -11.988 -1.820
62 HG2 PRO 12 1HG PRO 12 -6.890 -10.811 -1.647
63 HG3 PRO 12 2HG PRO 12 -7.372 -12.512 -1.784
64 HD2 PRO 12 1HD PRO 12 -6.505 -11.068 -3.904
65 HD3 PRO 12 2HD PRO 12 -7.708 -12.364 -4.059
66 H TYR 13 H TYR 13 -7.227 -8.767 -2.813
67 HA TYR 13 HA TYR 13 -8.382 -6.510 -1.323
68 HB2 TYR 13 1HB TYR 13 -5.438 -6.801 -1.725
69 HB3 TYR 13 2HB TYR 13 -6.320 -6.121 -0.362
70 HD1 TYR 13 HD2 TYR 13 -8.185 -8.379 0.214
71 HD2 TYR 13 HD1 TYR 13 -4.029 -8.366 -0.696
72 HE1 TYR 13 HE2 TYR 13 -7.915 -10.490 1.447
73 HE2 TYR 13 HE1 TYR 13 -3.747 -10.478 0.533
74 HH TYR 13 HH TYR 13 -5.196 -12.427 1.200
75 H LYS 14 H LYS 14 -9.031 -4.923 -2.612
76 HA LYS 14 HA LYS 14 -7.301 -4.166 -4.876
77 HB2 LYS 14 1HB LYS 14 -9.306 -5.098 -5.795
78 HB3 LYS 14 2HB LYS 14 -10.314 -4.170 -4.693
79 HG2 LYS 14 1HG LYS 14 -9.111 -2.139 -5.897
80 HG3 LYS 14 2HG LYS 14 -8.954 -3.332 -7.189
81 HD2 LYS 14 1HD LYS 14 -11.447 -3.756 -6.878
82 HD3 LYS 14 2HD LYS 14 -11.465 -2.281 -5.907
83 HE2 LYS 14 1HE LYS 14 -10.548 -1.036 -7.818
84 HE3 LYS 14 2HE LYS 14 -10.578 -2.511 -8.783
85 HZ1 LYS 14 3HZ LYS 14 -12.633 -0.671 -8.413
86 HZ2 LYS 14 1HZ LYS 14 -13.116 -2.100 -7.646
87 HZ3 LYS 14 2HZ LYS 14 -12.684 -2.122 -9.281
88 H CYS 15 H CYS 15 -6.749 -2.059 -5.065
89 HA CYS 15 HA CYS 15 -6.903 -0.354 -2.861
90 HB2 CYS 15 1HB CYS 15 -5.391 -0.349 -5.051
91 HB3 CYS 15 2HB CYS 15 -6.586 0.831 -5.579
92 H GLN 16 H GLN 16 -7.713 2.059 -3.308
93 HA GLN 16 HA GLN 16 -10.486 1.910 -4.279
94 HB2 GLN 16 1HB GLN 16 -9.596 3.391 -1.800
95 HB3 GLN 16 2HB GLN 16 -11.241 3.246 -2.405
96 HG2 GLN 16 1HG GLN 16 -9.589 0.888 -1.543
97 HG3 GLN 16 2HG GLN 16 -10.656 1.778 -0.457
98 HE21 GLN 16 1HE2 GLN 16 -10.421 -0.726 -2.673
99 HE22 GLN 16 2HE2 GLN 16 -12.105 -1.050 -2.878
100 H VAL 17 H VAL 17 -7.577 3.768 -3.825
101 HA VAL 17 HA VAL 17 -8.652 6.228 -4.841
102 HB VAL 17 HB VAL 17 -6.281 6.965 -4.932
103 HG11 VAL 17 1HG1 VAL 17 -7.350 7.448 -2.912
104 HG12 VAL 17 2HG1 VAL 17 -7.395 5.753 -2.424
105 HG13 VAL 17 3HG1 VAL 17 -5.866 6.632 -2.422
106 HG21 VAL 17 3HG2 VAL 17 -5.849 4.083 -4.542
107 HG22 VAL 17 1HG2 VAL 17 -4.824 5.292 -5.314
108 HG23 VAL 17 2HG2 VAL 17 -4.833 5.135 -3.557
109 H CYS 18 H CYS 18 -6.711 3.577 -6.152
110 HA CYS 18 HA CYS 18 -7.046 4.744 -8.836
111 HB2 CYS 18 1HB CYS 18 -5.041 3.595 -9.517
112 HB3 CYS 18 2HB CYS 18 -4.689 4.491 -8.043
113 H GLY 19 H GLY 19 -7.504 1.936 -6.829
114 HA2 GLY 19 1HA GLY 19 -9.177 0.317 -7.221
115 HA3 GLY 19 2HA GLY 19 -9.183 0.768 -8.920
116 H LYS 20 H LYS 20 -6.162 0.209 -7.321
117 HA LYS 20 HA LYS 20 -5.441 -1.836 -9.159
118 HB2 LYS 20 1HB LYS 20 -4.164 -0.498 -6.830
119 HB3 LYS 20 2HB LYS 20 -3.518 -2.060 -7.315
120 HG2 LYS 20 1HG LYS 20 -3.901 0.159 -9.293
121 HG3 LYS 20 2HG LYS 20 -2.448 0.039 -8.298
122 HD2 LYS 20 1HD LYS 20 -3.339 -2.386 -9.771
123 HD3 LYS 20 2HD LYS 20 -2.600 -1.078 -10.697
124 HE2 LYS 20 1HE LYS 20 -0.788 -1.179 -8.807
125 HE3 LYS 20 2HE LYS 20 -1.420 -2.807 -8.570
126 HZ1 LYS 20 3HZ LYS 20 -0.164 -3.458 -10.254
127 HZ2 LYS 20 1HZ LYS 20 0.345 -1.874 -10.559
128 HZ3 LYS 20 2HZ LYS 20 -1.053 -2.470 -11.300
129 H ALA 21 H ALA 21 -4.302 -3.883 -8.120
130 HA ALA 21 HA ALA 21 -5.832 -5.022 -5.930
131 HB1 ALA 21 3HB ALA 21 -5.780 -6.691 -8.388
132 HB2 ALA 21 1HB ALA 21 -6.943 -6.661 -7.063
133 HB3 ALA 21 2HB ALA 21 -6.968 -5.391 -8.287
134 H PHE 22 H PHE 22 -4.884 -6.895 -5.033
135 HA PHE 22 HA PHE 22 -2.442 -7.946 -6.166
136 HB2 PHE 22 1HB PHE 22 -2.266 -6.735 -3.413
137 HB3 PHE 22 2HB PHE 22 -0.955 -7.298 -4.444
138 HD1 PHE 22 HD2 PHE 22 -3.675 -4.754 -4.369
139 HD2 PHE 22 HD1 PHE 22 0.255 -5.760 -5.655
140 HE1 PHE 22 HE2 PHE 22 -3.374 -2.467 -5.225
141 HE2 PHE 22 HE1 PHE 22 0.564 -3.474 -6.512
142 HZ PHE 22 HZ PHE 22 -1.252 -1.825 -6.299
143 H ARG 23 H ARG 23 -2.500 -10.062 -5.845
144 HA ARG 23 HA ARG 23 -4.391 -11.398 -4.321
145 HB2 ARG 23 1HB ARG 23 -2.519 -13.291 -4.446
146 HB3 ARG 23 2HB ARG 23 -3.467 -12.816 -5.849
147 HG2 ARG 23 1HG ARG 23 -1.710 -11.785 -6.865
148 HG3 ARG 23 2HG ARG 23 -0.930 -11.366 -5.338
149 HD2 ARG 23 1HD ARG 23 -0.370 -13.765 -5.030
150 HD3 ARG 23 2HD ARG 23 -1.041 -14.090 -6.627
151 HE ARG 23 HE ARG 23 0.974 -12.062 -6.675
152 HH11 ARG 23 1HH1 ARG 23 0.428 -15.500 -6.632
153 HH12 ARG 23 2HH1 ARG 23 1.935 -15.881 -7.398
154 HH21 ARG 23 1HH2 ARG 23 2.961 -12.551 -7.684
155 HH22 ARG 23 2HH2 ARG 23 3.375 -14.203 -7.995
156 H VAL 24 H VAL 24 -1.366 -10.013 -3.373
157 HA VAL 24 HA VAL 24 -1.564 -11.294 -0.730
158 HB VAL 24 HB VAL 24 0.747 -10.790 -0.374
159 HG11 VAL 24 1HG1 VAL 24 0.636 -11.731 -3.224
160 HG12 VAL 24 2HG1 VAL 24 1.754 -12.212 -1.947
161 HG13 VAL 24 3HG1 VAL 24 0.069 -12.730 -1.886
162 HG21 VAL 24 3HG2 VAL 24 0.530 -8.557 -1.652
163 HG22 VAL 24 1HG2 VAL 24 2.074 -9.409 -1.692
164 HG23 VAL 24 2HG2 VAL 24 0.979 -9.504 -3.070
165 H SER 25 H SER 25 -0.853 -9.883 1.118
166 HA SER 25 HA SER 25 -2.220 -7.308 0.895
167 HB2 SER 25 1HB SER 25 -2.959 -8.765 2.704
168 HB3 SER 25 2HB SER 25 -1.311 -8.870 3.325
169 HG SER 25 HG SER 25 -1.545 -6.436 3.412
170 H SER 26 H SER 26 0.915 -8.698 1.561
171 HA SER 26 HA SER 26 2.180 -6.439 2.647
172 HB2 SER 26 1HB SER 26 4.297 -7.544 1.882
173 HB3 SER 26 2HB SER 26 3.233 -8.606 2.804
174 HG SER 26 HG SER 26 2.447 -9.025 0.433
175 H HIS 27 H HIS 27 1.812 -7.530 -0.700
176 HA HIS 27 HA HIS 27 3.382 -5.466 -1.849
177 HB2 HIS 27 1HB HIS 27 1.264 -7.283 -3.001
178 HB3 HIS 27 2HB HIS 27 2.169 -6.127 -3.974
179 HD2 HIS 27 HD2 HIS 27 4.487 -7.724 -1.440
180 HE1 HIS 27 HE1 HIS 27 4.849 -10.012 -4.994
181 HE2 HIS 27 HE2 HIS 27 5.762 -9.599 -2.683
182 H LEU 28 H LEU 28 -0.155 -5.915 -1.719
183 HA LEU 28 HA LEU 28 -0.951 -3.557 -2.882
184 HB2 LEU 28 1HB LEU 28 -2.650 -5.063 -2.410
185 HB3 LEU 28 2HB LEU 28 -2.141 -5.263 -0.735
186 HG LEU 28 HG LEU 28 -3.052 -3.088 -0.168
187 HD11 LEU 28 1HD1 LEU 28 -3.086 -1.558 -1.789
188 HD12 LEU 28 2HD1 LEU 28 -4.603 -2.300 -2.294
189 HD13 LEU 28 3HD1 LEU 28 -3.090 -2.778 -3.062
190 HD21 LEU 28 3HD2 LEU 28 -5.116 -3.912 0.084
191 HD22 LEU 28 1HD2 LEU 28 -4.492 -5.342 -0.739
192 HD23 LEU 28 2HD2 LEU 28 -5.354 -4.104 -1.654
193 H VAL 29 H VAL 29 0.399 -4.061 0.283
194 HA VAL 29 HA VAL 29 -0.392 -1.580 1.424
195 HB VAL 29 HB VAL 29 1.895 -3.419 2.139
196 HG11 VAL 29 1HG1 VAL 29 0.897 -0.892 3.385
197 HG12 VAL 29 2HG1 VAL 29 1.607 -2.156 4.390
198 HG13 VAL 29 3HG1 VAL 29 2.554 -1.420 3.097
199 HG21 VAL 29 3HG2 VAL 29 -0.356 -3.194 3.975
200 HG22 VAL 29 1HG2 VAL 29 -0.811 -3.827 2.392
201 HG23 VAL 29 2HG2 VAL 29 0.445 -4.630 3.335
202 H GLN 30 H GLN 30 2.695 -2.688 0.026
203 HA GLN 30 HA GLN 30 4.057 -0.255 0.256
204 HB2 GLN 30 1HB GLN 30 4.420 -2.447 -1.794
205 HB3 GLN 30 2HB GLN 30 5.572 -1.158 -1.477
206 HG2 GLN 30 1HG GLN 30 4.755 -3.383 0.369
207 HG3 GLN 30 2HG GLN 30 6.336 -3.108 -0.362
208 HE21 GLN 30 1HE2 GLN 30 4.007 -1.831 1.941
209 HE22 GLN 30 2HE2 GLN 30 5.155 -0.984 2.914
210 H HIS 31 H HIS 31 1.649 -1.310 -1.986
211 HA HIS 31 HA HIS 31 2.243 0.699 -3.970
212 HB2 HIS 31 1HB HIS 31 1.252 -1.063 -5.040
213 HB3 HIS 31 2HB HIS 31 0.250 -1.482 -3.653
214 HD1 HIS 31 HD1 HIS 31 0.360 0.859 -6.598
215 HD2 HIS 31 HD2 HIS 31 -2.293 -0.402 -3.660
216 HE1 HIS 31 HE1 HIS 31 -1.880 1.777 -7.277
217 H HIS 32 H HIS 32 0.295 0.430 -1.127
218 HA HIS 32 HA HIS 32 -1.591 2.459 -1.691
219 HB2 HIS 32 1HB HIS 32 -0.625 1.089 0.783
220 HB3 HIS 32 2HB HIS 32 -1.583 2.557 0.952
221 HD2 HIS 32 HD2 HIS 32 -2.446 -0.829 1.411
222 HE1 HIS 32 HE1 HIS 32 -5.528 0.437 -1.214
223 HE2 HIS 32 HE2 HIS 32 -4.815 -1.286 0.479
224 H SER 33 H SER 33 1.685 2.686 -1.397
225 HA SER 33 HA SER 33 1.561 5.432 -0.337
226 HB2 SER 33 1HB SER 33 3.778 3.387 -0.330
227 HB3 SER 33 2HB SER 33 4.086 5.099 -0.037
228 HG SER 33 HG SER 33 2.366 3.405 1.456
229 H VAL 34 H VAL 34 1.286 4.115 -3.159
230 HA VAL 34 HA VAL 34 3.415 5.455 -4.607
231 HB VAL 34 HB VAL 34 2.641 4.391 -6.549
232 HG11 VAL 34 1HG1 VAL 34 1.812 2.042 -5.387
233 HG12 VAL 34 2HG1 VAL 34 3.488 2.531 -5.644
234 HG13 VAL 34 3HG1 VAL 34 2.709 2.830 -4.090
235 HG21 VAL 34 3HG2 VAL 34 0.305 5.066 -6.406
236 HG22 VAL 34 1HG2 VAL 34 0.435 3.342 -6.753
237 HG23 VAL 34 2HG2 VAL 34 0.028 3.885 -5.125
238 H HIS 35 H HIS 35 0.234 6.128 -3.549
239 HA HIS 35 HA HIS 35 -0.160 8.232 -5.540
240 HB2 HIS 35 1HB HIS 35 -2.070 7.621 -3.304
241 HB3 HIS 35 2HB HIS 35 -2.409 8.297 -4.894
242 HD1 HIS 35 HD1 HIS 35 -1.898 6.465 -6.928
243 HD2 HIS 35 HD2 HIS 35 -2.699 5.002 -3.123
244 HE1 HIS 35 HE1 HIS 35 -2.580 4.067 -7.259
245 H SER 36 H SER 36 0.950 7.791 -2.342
246 HA SER 36 HA SER 36 0.424 10.538 -1.542
247 HB2 SER 36 1HB SER 36 1.769 8.231 -0.122
248 HB3 SER 36 2HB SER 36 1.591 9.841 0.575
249 HG SER 36 HG SER 36 -0.709 8.663 -0.444
250 H GLY 37 H GLY 37 2.271 9.785 -3.789
251 HA2 GLY 37 1HA GLY 37 4.254 10.555 -4.653
252 HA3 GLY 37 2HA GLY 37 4.231 11.751 -3.366
253 H GLU 38 H GLU 38 5.726 8.959 -4.575
254 HA GLU 38 HA GLU 38 6.869 8.038 -2.113
255 HB2 GLU 38 1HB GLU 38 7.724 7.473 -4.957
256 HB3 GLU 38 2HB GLU 38 8.237 6.585 -3.529
257 HG2 GLU 38 1HG GLU 38 5.329 6.791 -4.108
258 HG3 GLU 38 2HG GLU 38 6.314 5.698 -5.078
259 H ARG 39 H ARG 39 7.329 10.828 -3.667
260 HA ARG 39 HA ARG 39 9.849 11.327 -2.409
261 HB2 ARG 39 1HB ARG 39 11.205 11.732 -4.314
262 HB3 ARG 39 2HB ARG 39 10.477 10.150 -4.559
263 HG2 ARG 39 1HG ARG 39 9.188 10.856 -6.299
264 HG3 ARG 39 2HG ARG 39 9.086 12.511 -5.696
265 HD2 ARG 39 1HD ARG 39 11.702 11.408 -6.638
266 HD3 ARG 39 2HD ARG 39 10.515 11.990 -7.805
267 HE ARG 39 HE ARG 39 10.778 13.992 -5.931
268 HH11 ARG 39 1HH1 ARG 39 12.857 12.327 -8.172
269 HH12 ARG 39 2HH1 ARG 39 13.912 13.681 -8.401
270 HH21 ARG 39 1HH2 ARG 39 12.160 15.783 -6.224
271 HH22 ARG 39 2HH2 ARG 39 13.516 15.646 -7.292
272 HA PRO 40 HA PRO 40 8.207 15.401 -2.381
273 HB2 PRO 40 1HB PRO 40 10.487 16.850 -2.105
274 HB3 PRO 40 2HB PRO 40 9.795 15.888 -0.793
275 HG2 PRO 40 1HG PRO 40 12.046 15.218 -2.650
276 HG3 PRO 40 2HG PRO 40 11.923 14.956 -0.901
277 HD2 PRO 40 1HD PRO 40 11.498 12.980 -2.702
278 HD3 PRO 40 2HD PRO 40 10.645 13.054 -1.148
279 H SER 41 H SER 41 7.420 15.493 -4.540
280 HA SER 41 HA SER 41 8.945 17.307 -6.227
281 HB2 SER 41 1HB SER 41 8.576 15.905 -8.248
282 HB3 SER 41 2HB SER 41 9.644 15.136 -7.074
283 HG SER 41 HG SER 41 6.925 14.592 -6.857
284 H GLY 42 H GLY 42 7.507 17.709 -8.327
285 HA2 GLY 42 1HA GLY 42 4.684 17.496 -8.009
286 HA3 GLY 42 2HA GLY 42 5.248 19.091 -7.533
287 HA PRO 43 HA PRO 43 4.902 18.435 -12.296
288 HB2 PRO 43 1HB PRO 43 2.305 19.088 -12.740
289 HB3 PRO 43 2HB PRO 43 2.846 17.426 -12.473
290 HG2 PRO 43 1HG PRO 43 1.593 19.344 -10.545
291 HG3 PRO 43 2HG PRO 43 1.266 17.617 -10.776
292 HD2 PRO 43 1HD PRO 43 2.822 18.548 -8.766
293 HD3 PRO 43 2HD PRO 43 3.102 16.975 -9.539
294 H SER 44 H SER 44 2.990 20.744 -10.362
295 HA SER 44 HA SER 44 2.996 22.905 -12.056
296 HB2 SER 44 1HB SER 44 3.081 22.724 -9.054
297 HB3 SER 44 2HB SER 44 3.047 24.288 -9.867
298 HG SER 44 HG SER 44 1.140 23.344 -11.010
299 H SER 45 H SER 45 4.241 25.051 -11.390
300 HA SER 45 HA SER 45 6.680 25.116 -12.463
301 HB2 SER 45 1HB SER 45 5.742 27.182 -11.773
302 HB3 SER 45 2HB SER 45 5.680 26.679 -10.084
303 HG SER 45 HG SER 45 7.637 27.384 -9.854
304 H GLY 46 H GLY 46 8.084 23.449 -12.163
305 HA2 GLY 46 1HA GLY 46 10.164 23.253 -10.695
306 HA3 GLY 46 2HA GLY 46 9.008 22.939 -9.409
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -8.438 -17.733 -30.414
2 HA2 GLY 1 1HA GLY 1 -8.329 -15.790 -32.403
3 HA3 GLY 1 2HA GLY 1 -9.704 -15.391 -31.384
4 H SER 2 H SER 2 -7.197 -13.931 -31.806
5 HA SER 2 HA SER 2 -5.322 -14.137 -29.822
6 HB2 SER 2 1HB SER 2 -5.029 -12.493 -31.535
7 HB3 SER 2 2HB SER 2 -6.516 -11.662 -31.079
8 HG SER 2 HG SER 2 -5.516 -10.730 -29.447
9 H SER 3 H SER 3 -5.756 -14.543 -27.746
10 HA SER 3 HA SER 3 -7.841 -12.960 -26.406
11 HB2 SER 3 1HB SER 3 -7.773 -14.725 -24.656
12 HB3 SER 3 2HB SER 3 -8.195 -15.361 -26.245
13 HG SER 3 HG SER 3 -5.562 -15.454 -26.027
14 H GLY 4 H GLY 4 -7.420 -11.956 -24.415
15 HA2 GLY 4 1HA GLY 4 -4.784 -10.887 -24.162
16 HA3 GLY 4 2HA GLY 4 -6.137 -10.584 -23.082
17 H SER 5 H SER 5 -6.744 -12.862 -21.927
18 HA SER 5 HA SER 5 -4.510 -14.462 -21.165
19 HB2 SER 5 1HB SER 5 -4.071 -13.684 -18.992
20 HB3 SER 5 2HB SER 5 -4.187 -12.204 -19.945
21 HG SER 5 HG SER 5 -5.627 -12.916 -17.829
22 H SER 6 H SER 6 -5.099 -16.230 -19.885
23 HA SER 6 HA SER 6 -7.919 -16.849 -19.960
24 HB2 SER 6 1HB SER 6 -7.154 -19.078 -19.075
25 HB3 SER 6 2HB SER 6 -6.405 -18.606 -20.601
26 HG SER 6 HG SER 6 -5.099 -17.868 -18.255
27 H GLY 7 H GLY 7 -9.306 -16.985 -18.275
28 HA2 GLY 7 1HA GLY 7 -10.134 -16.773 -16.143
29 HA3 GLY 7 2HA GLY 7 -8.540 -17.232 -15.563
30 H THR 8 H THR 8 -10.771 -14.913 -15.302
31 HA THR 8 HA THR 8 -9.192 -12.542 -15.550
32 HB THR 8 HB THR 8 -11.619 -12.419 -15.750
33 HG1 THR 8 HG1 THR 8 -10.214 -10.972 -13.836
34 HG21 THR 8 3HG2 THR 8 -12.351 -14.139 -14.264
35 HG22 THR 8 1HG2 THR 8 -13.002 -12.617 -13.659
36 HG23 THR 8 2HG2 THR 8 -11.598 -13.347 -12.881
37 H GLY 9 H GLY 9 -9.837 -14.841 -13.005
38 HA2 GLY 9 1HA GLY 9 -9.293 -14.797 -10.741
39 HA3 GLY 9 2HA GLY 9 -7.707 -14.500 -11.437
40 H GLU 10 H GLU 10 -10.503 -13.044 -9.927
41 HA GLU 10 HA GLU 10 -9.250 -10.420 -9.869
42 HB2 GLU 10 1HB GLU 10 -11.929 -11.487 -9.027
43 HB3 GLU 10 2HB GLU 10 -11.386 -9.903 -8.491
44 HG2 GLU 10 1HG GLU 10 -11.101 -9.238 -10.848
45 HG3 GLU 10 2HG GLU 10 -11.749 -10.802 -11.339
46 H LYS 11 H LYS 11 -7.944 -9.794 -8.293
47 HA LYS 11 HA LYS 11 -7.339 -11.406 -6.059
48 HB2 LYS 11 1HB LYS 11 -6.754 -8.456 -6.281
49 HB3 LYS 11 2HB LYS 11 -5.848 -9.674 -5.392
50 HG2 LYS 11 1HG LYS 11 -6.077 -9.487 -8.389
51 HG3 LYS 11 2HG LYS 11 -4.684 -8.999 -7.420
52 HD2 LYS 11 1HD LYS 11 -4.258 -11.244 -6.757
53 HD3 LYS 11 2HD LYS 11 -5.799 -11.798 -7.416
54 HE2 LYS 11 1HE LYS 11 -3.777 -10.504 -9.200
55 HE3 LYS 11 2HE LYS 11 -3.600 -12.199 -8.749
56 HZ1 LYS 11 3HZ LYS 11 -4.823 -12.341 -10.668
57 HZ2 LYS 11 1HZ LYS 11 -5.692 -10.920 -10.370
58 HZ3 LYS 11 2HZ LYS 11 -6.059 -12.332 -9.513
59 HA PRO 12 HA PRO 12 -10.377 -10.260 -3.097
60 HB2 PRO 12 1HB PRO 12 -8.966 -10.602 -0.803
61 HB3 PRO 12 2HB PRO 12 -9.542 -11.953 -1.787
62 HG2 PRO 12 1HG PRO 12 -6.821 -10.709 -1.685
63 HG3 PRO 12 2HG PRO 12 -7.266 -12.425 -1.743
64 HD2 PRO 12 1HD PRO 12 -6.444 -11.057 -3.931
65 HD3 PRO 12 2HD PRO 12 -7.619 -12.385 -4.020
66 H TYR 13 H TYR 13 -7.157 -8.828 -2.647
67 HA TYR 13 HA TYR 13 -8.367 -6.508 -1.336
68 HB2 TYR 13 1HB TYR 13 -5.420 -6.772 -1.767
69 HB3 TYR 13 2HB TYR 13 -6.293 -6.035 -0.428
70 HD1 TYR 13 HD2 TYR 13 -8.104 -8.207 0.382
71 HD2 TYR 13 HD1 TYR 13 -4.015 -8.346 -0.784
72 HE1 TYR 13 HE2 TYR 13 -7.802 -10.254 1.710
73 HE2 TYR 13 HE1 TYR 13 -3.701 -10.395 0.540
74 HH TYR 13 HH TYR 13 -5.459 -12.345 1.357
75 H LYS 14 H LYS 14 -8.911 -4.815 -2.520
76 HA LYS 14 HA LYS 14 -7.264 -4.127 -4.858
77 HB2 LYS 14 1HB LYS 14 -9.233 -5.130 -5.774
78 HB3 LYS 14 2HB LYS 14 -10.276 -4.218 -4.690
79 HG2 LYS 14 1HG LYS 14 -9.132 -2.168 -5.918
80 HG3 LYS 14 2HG LYS 14 -8.930 -3.373 -7.191
81 HD2 LYS 14 1HD LYS 14 -11.444 -3.869 -6.763
82 HD3 LYS 14 2HD LYS 14 -11.449 -2.277 -6.000
83 HE2 LYS 14 1HE LYS 14 -10.733 -1.230 -8.024
84 HE3 LYS 14 2HE LYS 14 -10.436 -2.789 -8.791
85 HZ1 LYS 14 3HZ LYS 14 -12.627 -3.116 -9.190
86 HZ2 LYS 14 1HZ LYS 14 -12.644 -1.424 -9.191
87 HZ3 LYS 14 2HZ LYS 14 -13.138 -2.273 -7.814
88 H CYS 15 H CYS 15 -6.675 -2.043 -4.985
89 HA CYS 15 HA CYS 15 -6.941 -0.297 -2.843
90 HB2 CYS 15 1HB CYS 15 -5.370 -0.296 -4.983
91 HB3 CYS 15 2HB CYS 15 -6.578 0.839 -5.578
92 H GLN 16 H GLN 16 -7.784 2.092 -3.343
93 HA GLN 16 HA GLN 16 -10.524 1.886 -4.393
94 HB2 GLN 16 1HB GLN 16 -9.788 3.442 -1.915
95 HB3 GLN 16 2HB GLN 16 -11.400 3.133 -2.546
96 HG2 GLN 16 1HG GLN 16 -9.546 0.991 -1.536
97 HG3 GLN 16 2HG GLN 16 -10.788 1.774 -0.559
98 HE21 GLN 16 1HE2 GLN 16 -10.112 -0.860 -2.400
99 HE22 GLN 16 2HE2 GLN 16 -11.718 -1.352 -2.804
100 H VAL 17 H VAL 17 -7.666 3.797 -3.845
101 HA VAL 17 HA VAL 17 -8.757 6.236 -4.899
102 HB VAL 17 HB VAL 17 -6.318 6.937 -4.978
103 HG11 VAL 17 1HG1 VAL 17 -7.647 6.033 -2.439
104 HG12 VAL 17 2HG1 VAL 17 -6.136 6.945 -2.444
105 HG13 VAL 17 3HG1 VAL 17 -7.597 7.653 -3.135
106 HG21 VAL 17 3HG2 VAL 17 -4.675 5.567 -3.917
107 HG22 VAL 17 1HG2 VAL 17 -5.888 4.369 -3.462
108 HG23 VAL 17 2HG2 VAL 17 -5.460 4.591 -5.159
109 H CYS 18 H CYS 18 -6.777 3.591 -6.140
110 HA CYS 18 HA CYS 18 -6.994 4.769 -8.832
111 HB2 CYS 18 1HB CYS 18 -4.961 3.646 -9.436
112 HB3 CYS 18 2HB CYS 18 -4.670 4.500 -7.924
113 H GLY 19 H GLY 19 -7.455 1.915 -6.866
114 HA2 GLY 19 1HA GLY 19 -9.116 0.293 -7.309
115 HA3 GLY 19 2HA GLY 19 -9.101 0.774 -8.999
116 H LYS 20 H LYS 20 -6.131 0.170 -7.292
117 HA LYS 20 HA LYS 20 -5.341 -1.813 -9.181
118 HB2 LYS 20 1HB LYS 20 -4.133 -0.504 -6.806
119 HB3 LYS 20 2HB LYS 20 -3.475 -2.067 -7.270
120 HG2 LYS 20 1HG LYS 20 -3.816 -0.016 -9.388
121 HG3 LYS 20 2HG LYS 20 -2.507 0.193 -8.222
122 HD2 LYS 20 1HD LYS 20 -2.104 -2.371 -8.810
123 HD3 LYS 20 2HD LYS 20 -2.882 -1.878 -10.317
124 HE2 LYS 20 1HE LYS 20 -0.654 -1.487 -10.778
125 HE3 LYS 20 2HE LYS 20 -1.194 0.098 -10.229
126 HZ1 LYS 20 3HZ LYS 20 -0.053 -0.088 -8.274
127 HZ2 LYS 20 1HZ LYS 20 0.974 -0.971 -9.288
128 HZ3 LYS 20 2HZ LYS 20 -0.098 -1.779 -8.259
129 H ALA 21 H ALA 21 -4.224 -3.881 -8.170
130 HA ALA 21 HA ALA 21 -5.806 -5.079 -6.048
131 HB1 ALA 21 3HB ALA 21 -7.267 -5.798 -7.656
132 HB2 ALA 21 1HB ALA 21 -6.028 -5.867 -8.909
133 HB3 ALA 21 2HB ALA 21 -6.106 -7.125 -7.675
134 H PHE 22 H PHE 22 -4.828 -6.867 -5.088
135 HA PHE 22 HA PHE 22 -2.383 -7.949 -6.193
136 HB2 PHE 22 1HB PHE 22 -2.217 -6.699 -3.459
137 HB3 PHE 22 2HB PHE 22 -0.903 -7.259 -4.489
138 HD1 PHE 22 HD2 PHE 22 -3.534 -4.664 -4.196
139 HD2 PHE 22 HD1 PHE 22 0.177 -5.795 -5.948
140 HE1 PHE 22 HE2 PHE 22 -3.256 -2.382 -5.071
141 HE2 PHE 22 HE1 PHE 22 0.462 -3.514 -6.825
142 HZ PHE 22 HZ PHE 22 -1.256 -1.804 -6.388
143 H ARG 23 H ARG 23 -2.547 -10.060 -5.890
144 HA ARG 23 HA ARG 23 -4.412 -11.367 -4.344
145 HB2 ARG 23 1HB ARG 23 -2.529 -13.258 -4.403
146 HB3 ARG 23 2HB ARG 23 -3.467 -12.820 -5.824
147 HG2 ARG 23 1HG ARG 23 -1.707 -11.804 -6.849
148 HG3 ARG 23 2HG ARG 23 -0.943 -11.345 -5.325
149 HD2 ARG 23 1HD ARG 23 0.482 -13.002 -5.983
150 HD3 ARG 23 2HD ARG 23 -0.686 -13.959 -5.072
151 HE ARG 23 HE ARG 23 -1.666 -13.994 -7.601
152 HH11 ARG 23 1HH1 ARG 23 1.426 -14.762 -6.198
153 HH12 ARG 23 2HH1 ARG 23 1.812 -15.964 -7.385
154 HH21 ARG 23 1HH2 ARG 23 -1.170 -15.574 -9.169
155 HH22 ARG 23 2HH2 ARG 23 0.336 -16.425 -9.075
156 H VAL 24 H VAL 24 -1.288 -10.117 -3.413
157 HA VAL 24 HA VAL 24 -1.568 -11.299 -0.740
158 HB VAL 24 HB VAL 24 0.726 -10.926 -0.381
159 HG11 VAL 24 1HG1 VAL 24 0.491 -11.616 -3.307
160 HG12 VAL 24 2HG1 VAL 24 1.815 -12.045 -2.222
161 HG13 VAL 24 3HG1 VAL 24 0.213 -12.742 -1.979
162 HG21 VAL 24 3HG2 VAL 24 0.739 -8.592 -1.218
163 HG22 VAL 24 1HG2 VAL 24 2.138 -9.528 -1.743
164 HG23 VAL 24 2HG2 VAL 24 0.814 -9.218 -2.866
165 H SER 25 H SER 25 -0.887 -9.874 1.101
166 HA SER 25 HA SER 25 -2.297 -7.337 0.877
167 HB2 SER 25 1HB SER 25 -2.861 -8.770 2.768
168 HB3 SER 25 2HB SER 25 -1.176 -8.789 3.287
169 HG SER 25 HG SER 25 -1.687 -6.294 3.161
170 H SER 26 H SER 26 0.925 -8.578 1.513
171 HA SER 26 HA SER 26 2.170 -6.270 2.436
172 HB2 SER 26 1HB SER 26 3.331 -8.449 0.682
173 HB3 SER 26 2HB SER 26 4.270 -7.270 1.598
174 HG SER 26 HG SER 26 2.718 -8.269 3.371
175 H HIS 27 H HIS 27 2.247 -7.489 -0.919
176 HA HIS 27 HA HIS 27 3.431 -5.332 -2.134
177 HB2 HIS 27 1HB HIS 27 1.386 -7.306 -3.104
178 HB3 HIS 27 2HB HIS 27 1.948 -6.013 -4.159
179 HD2 HIS 27 HD2 HIS 27 4.699 -7.527 -1.936
180 HE1 HIS 27 HE1 HIS 27 5.096 -9.233 -5.800
181 HE2 HIS 27 HE2 HIS 27 6.104 -9.032 -3.501
182 H LEU 28 H LEU 28 -0.083 -5.844 -1.794
183 HA LEU 28 HA LEU 28 -0.982 -3.496 -2.910
184 HB2 LEU 28 1HB LEU 28 -2.601 -5.079 -2.344
185 HB3 LEU 28 2HB LEU 28 -2.035 -5.196 -0.679
186 HG LEU 28 HG LEU 28 -2.992 -3.022 -0.174
187 HD11 LEU 28 1HD1 LEU 28 -2.844 -1.727 -2.080
188 HD12 LEU 28 2HD1 LEU 28 -4.568 -2.093 -2.014
189 HD13 LEU 28 3HD1 LEU 28 -3.519 -2.985 -3.116
190 HD21 LEU 28 3HD2 LEU 28 -5.238 -4.334 -1.589
191 HD22 LEU 28 1HD2 LEU 28 -5.110 -3.790 0.084
192 HD23 LEU 28 2HD2 LEU 28 -4.353 -5.304 -0.411
193 H VAL 29 H VAL 29 0.261 -4.043 0.341
194 HA VAL 29 HA VAL 29 -0.422 -1.551 1.449
195 HB VAL 29 HB VAL 29 1.921 -3.333 2.134
196 HG11 VAL 29 1HG1 VAL 29 0.651 -1.040 3.619
197 HG12 VAL 29 2HG1 VAL 29 1.763 -2.195 4.355
198 HG13 VAL 29 3HG1 VAL 29 2.312 -1.157 3.039
199 HG21 VAL 29 3HG2 VAL 29 -0.838 -3.780 2.406
200 HG22 VAL 29 1HG2 VAL 29 0.481 -4.709 3.120
201 HG23 VAL 29 2HG2 VAL 29 -0.244 -3.375 4.017
202 H GLN 30 H GLN 30 2.733 -2.641 0.182
203 HA GLN 30 HA GLN 30 4.060 -0.214 0.344
204 HB2 GLN 30 1HB GLN 30 4.416 -2.382 -1.733
205 HB3 GLN 30 2HB GLN 30 5.574 -1.105 -1.387
206 HG2 GLN 30 1HG GLN 30 4.714 -3.317 0.461
207 HG3 GLN 30 2HG GLN 30 6.282 -3.131 -0.322
208 HE21 GLN 30 1HE2 GLN 30 4.098 -1.715 2.040
209 HE22 GLN 30 2HE2 GLN 30 5.319 -0.920 2.968
210 H HIS 31 H HIS 31 1.663 -1.276 -1.918
211 HA HIS 31 HA HIS 31 2.239 0.749 -3.885
212 HB2 HIS 31 1HB HIS 31 1.242 -1.013 -4.953
213 HB3 HIS 31 2HB HIS 31 0.241 -1.429 -3.565
214 HD1 HIS 31 HD1 HIS 31 0.363 0.939 -6.493
215 HD2 HIS 31 HD2 HIS 31 -2.303 -0.364 -3.585
216 HE1 HIS 31 HE1 HIS 31 -1.877 1.860 -7.173
217 H HIS 32 H HIS 32 0.297 0.467 -1.037
218 HA HIS 32 HA HIS 32 -1.564 2.531 -1.601
219 HB2 HIS 32 1HB HIS 32 -0.676 1.088 0.864
220 HB3 HIS 32 2HB HIS 32 -1.632 2.557 1.037
221 HD2 HIS 32 HD2 HIS 32 -2.189 -1.134 0.604
222 HE1 HIS 32 HE1 HIS 32 -5.770 0.730 -0.700
223 HE2 HIS 32 HE2 HIS 32 -4.695 -1.427 0.034
224 H SER 33 H SER 33 1.695 2.713 -1.285
225 HA SER 33 HA SER 33 1.599 5.421 -0.127
226 HB2 SER 33 1HB SER 33 3.646 3.247 0.001
227 HB3 SER 33 2HB SER 33 4.196 4.923 0.042
228 HG SER 33 HG SER 33 3.479 3.641 2.088
229 H VAL 34 H VAL 34 1.456 4.082 -2.999
230 HA VAL 34 HA VAL 34 3.593 5.489 -4.355
231 HB VAL 34 HB VAL 34 2.779 4.517 -6.381
232 HG11 VAL 34 1HG1 VAL 34 3.971 2.842 -5.396
233 HG12 VAL 34 2HG1 VAL 34 2.923 2.777 -3.978
234 HG13 VAL 34 3HG1 VAL 34 2.400 2.049 -5.498
235 HG21 VAL 34 3HG2 VAL 34 0.616 2.968 -5.946
236 HG22 VAL 34 1HG2 VAL 34 0.262 4.314 -4.862
237 HG23 VAL 34 2HG2 VAL 34 0.531 4.612 -6.579
238 H HIS 35 H HIS 35 0.233 5.965 -3.612
239 HA HIS 35 HA HIS 35 -0.069 8.139 -5.510
240 HB2 HIS 35 1HB HIS 35 -2.054 7.520 -3.350
241 HB3 HIS 35 2HB HIS 35 -2.337 8.137 -4.975
242 HD1 HIS 35 HD1 HIS 35 -1.766 6.269 -6.931
243 HD2 HIS 35 HD2 HIS 35 -2.566 4.877 -3.099
244 HE1 HIS 35 HE1 HIS 35 -2.365 3.843 -7.209
245 H SER 36 H SER 36 1.965 8.395 -3.462
246 HA SER 36 HA SER 36 0.970 10.254 -1.499
247 HB2 SER 36 1HB SER 36 3.352 10.467 -0.846
248 HB3 SER 36 2HB SER 36 2.829 8.784 -0.920
249 HG SER 36 HG SER 36 3.973 8.492 -2.748
250 H GLY 37 H GLY 37 2.957 10.434 -4.433
251 HA2 GLY 37 1HA GLY 37 3.484 13.202 -4.306
252 HA3 GLY 37 2HA GLY 37 3.557 12.211 -5.756
253 H GLU 38 H GLU 38 2.459 13.278 -7.274
254 HA GLU 38 HA GLU 38 -0.318 14.022 -6.673
255 HB2 GLU 38 1HB GLU 38 1.491 15.956 -6.800
256 HB3 GLU 38 2HB GLU 38 1.253 15.750 -8.529
257 HG2 GLU 38 1HG GLU 38 -0.185 17.490 -7.789
258 HG3 GLU 38 2HG GLU 38 -1.182 16.088 -8.174
259 H ARG 39 H ARG 39 -1.743 13.992 -8.469
260 HA ARG 39 HA ARG 39 -0.705 12.511 -10.796
261 HB2 ARG 39 1HB ARG 39 -2.189 11.191 -9.238
262 HB3 ARG 39 2HB ARG 39 -3.496 12.286 -9.669
263 HG2 ARG 39 1HG ARG 39 -3.166 11.619 -12.052
264 HG3 ARG 39 2HG ARG 39 -2.022 10.399 -11.488
265 HD2 ARG 39 1HD ARG 39 -3.858 9.506 -10.023
266 HD3 ARG 39 2HD ARG 39 -4.960 10.602 -10.856
267 HE ARG 39 HE ARG 39 -3.509 8.974 -12.687
268 HH11 ARG 39 1HH1 ARG 39 -6.199 8.972 -10.477
269 HH12 ARG 39 2HH1 ARG 39 -7.054 7.719 -11.313
270 HH21 ARG 39 1HH2 ARG 39 -4.625 7.323 -13.797
271 HH22 ARG 39 2HH2 ARG 39 -6.157 6.780 -13.201
272 HA PRO 40 HA PRO 40 -2.192 15.874 -13.231
273 HB2 PRO 40 1HB PRO 40 -2.254 14.619 -15.638
274 HB3 PRO 40 2HB PRO 40 -0.751 15.126 -14.857
275 HG2 PRO 40 1HG PRO 40 -2.029 12.420 -14.930
276 HG3 PRO 40 2HG PRO 40 -0.322 12.857 -15.128
277 HD2 PRO 40 1HD PRO 40 -1.319 11.892 -12.802
278 HD3 PRO 40 2HD PRO 40 0.020 13.057 -12.857
279 H SER 41 H SER 41 -4.069 16.613 -14.230
280 HA SER 41 HA SER 41 -6.485 15.434 -13.458
281 HB2 SER 41 1HB SER 41 -7.571 17.159 -14.708
282 HB3 SER 41 2HB SER 41 -6.093 17.865 -14.056
283 HG SER 41 HG SER 41 -5.133 17.640 -16.069
284 H GLY 42 H GLY 42 -8.275 14.822 -14.985
285 HA2 GLY 42 1HA GLY 42 -7.236 13.309 -17.296
286 HA3 GLY 42 2HA GLY 42 -8.321 12.554 -16.138
287 HA PRO 43 HA PRO 43 -10.820 14.328 -19.643
288 HB2 PRO 43 1HB PRO 43 -12.235 12.059 -20.113
289 HB3 PRO 43 2HB PRO 43 -10.673 12.391 -20.870
290 HG2 PRO 43 1HG PRO 43 -11.301 10.683 -18.494
291 HG3 PRO 43 2HG PRO 43 -10.203 10.356 -19.848
292 HD2 PRO 43 1HD PRO 43 -9.325 11.216 -17.435
293 HD3 PRO 43 2HD PRO 43 -8.516 11.647 -18.955
294 H SER 44 H SER 44 -13.303 14.173 -19.833
295 HA SER 44 HA SER 44 -15.342 14.603 -18.921
296 HB2 SER 44 1HB SER 44 -14.433 12.820 -16.650
297 HB3 SER 44 2HB SER 44 -16.096 13.214 -17.086
298 HG SER 44 HG SER 44 -16.021 11.603 -18.414
299 H SER 45 H SER 45 -13.426 16.529 -18.493
300 HA SER 45 HA SER 45 -12.828 17.400 -15.985
301 HB2 SER 45 1HB SER 45 -12.815 19.670 -16.864
302 HB3 SER 45 2HB SER 45 -12.187 18.564 -18.086
303 HG SER 45 HG SER 45 -13.777 19.103 -19.341
304 H GLY 46 H GLY 46 -15.891 17.974 -17.703
305 HA2 GLY 46 1HA GLY 46 -17.200 19.539 -15.850
306 HA3 GLY 46 2HA GLY 46 -18.005 18.377 -16.893
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -5.935 -3.030 -30.770
2 HA2 GLY 1 1HA GLY 1 -6.309 -2.995 -28.404
3 HA3 GLY 1 2HA GLY 1 -6.999 -4.509 -28.970
4 H SER 2 H SER 2 -4.778 -3.076 -26.880
5 HA SER 2 HA SER 2 -2.944 -5.255 -26.634
6 HB2 SER 2 1HB SER 2 -2.640 -2.752 -25.960
7 HB3 SER 2 2HB SER 2 -3.414 -3.244 -24.453
8 HG SER 2 HG SER 2 -1.027 -4.279 -25.584
9 H SER 3 H SER 3 -4.141 -7.121 -26.287
10 HA SER 3 HA SER 3 -5.943 -7.255 -24.011
11 HB2 SER 3 1HB SER 3 -6.342 -8.395 -26.277
12 HB3 SER 3 2HB SER 3 -5.131 -9.569 -25.765
13 HG SER 3 HG SER 3 -7.401 -8.921 -24.202
14 H GLY 4 H GLY 4 -4.897 -7.293 -22.103
15 HA2 GLY 4 1HA GLY 4 -2.929 -9.454 -21.714
16 HA3 GLY 4 2HA GLY 4 -2.594 -7.832 -21.126
17 H SER 5 H SER 5 -4.022 -10.824 -20.435
18 HA SER 5 HA SER 5 -6.045 -10.251 -18.651
19 HB2 SER 5 1HB SER 5 -4.050 -12.482 -18.831
20 HB3 SER 5 2HB SER 5 -5.141 -12.402 -17.448
21 HG SER 5 HG SER 5 -5.703 -12.868 -20.145
22 H SER 6 H SER 6 -2.617 -10.782 -17.813
23 HA SER 6 HA SER 6 -1.521 -10.354 -15.824
24 HB2 SER 6 1HB SER 6 -1.394 -7.885 -15.413
25 HB3 SER 6 2HB SER 6 -1.110 -8.340 -17.093
26 HG SER 6 HG SER 6 -3.299 -7.030 -15.941
27 H GLY 7 H GLY 7 -3.955 -11.505 -15.204
28 HA2 GLY 7 1HA GLY 7 -4.399 -11.436 -12.650
29 HA3 GLY 7 2HA GLY 7 -5.057 -9.854 -13.036
30 H THR 8 H THR 8 -5.310 -13.189 -14.276
31 HA THR 8 HA THR 8 -7.862 -12.933 -15.372
32 HB THR 8 HB THR 8 -6.397 -14.840 -15.863
33 HG1 THR 8 HG1 THR 8 -8.660 -16.019 -14.689
34 HG21 THR 8 3HG2 THR 8 -7.159 -16.014 -13.204
35 HG22 THR 8 1HG2 THR 8 -5.683 -15.072 -13.409
36 HG23 THR 8 2HG2 THR 8 -5.918 -16.555 -14.334
37 H GLY 9 H GLY 9 -6.879 -14.032 -12.137
38 HA2 GLY 9 1HA GLY 9 -9.703 -14.063 -11.328
39 HA3 GLY 9 2HA GLY 9 -8.376 -14.803 -10.446
40 H GLU 10 H GLU 10 -10.388 -12.100 -10.713
41 HA GLU 10 HA GLU 10 -8.997 -9.940 -9.840
42 HB2 GLU 10 1HB GLU 10 -11.708 -10.876 -8.890
43 HB3 GLU 10 2HB GLU 10 -11.058 -9.272 -8.581
44 HG2 GLU 10 1HG GLU 10 -11.144 -8.676 -10.843
45 HG3 GLU 10 2HG GLU 10 -11.342 -10.348 -11.363
46 H LYS 11 H LYS 11 -7.753 -9.457 -8.161
47 HA LYS 11 HA LYS 11 -7.201 -11.328 -6.112
48 HB2 LYS 11 1HB LYS 11 -6.540 -8.391 -5.990
49 HB3 LYS 11 2HB LYS 11 -5.664 -9.731 -5.263
50 HG2 LYS 11 1HG LYS 11 -5.884 -9.150 -8.210
51 HG3 LYS 11 2HG LYS 11 -4.477 -8.850 -7.188
52 HD2 LYS 11 1HD LYS 11 -3.961 -11.086 -7.012
53 HD3 LYS 11 2HD LYS 11 -5.624 -11.602 -7.301
54 HE2 LYS 11 1HE LYS 11 -5.446 -11.214 -9.620
55 HE3 LYS 11 2HE LYS 11 -3.959 -10.286 -9.430
56 HZ1 LYS 11 3HZ LYS 11 -2.736 -12.213 -8.987
57 HZ2 LYS 11 1HZ LYS 11 -3.741 -12.645 -10.277
58 HZ3 LYS 11 2HZ LYS 11 -4.116 -13.150 -8.707
59 HA PRO 12 HA PRO 12 -10.204 -10.417 -3.039
60 HB2 PRO 12 1HB PRO 12 -8.782 -10.905 -0.778
61 HB3 PRO 12 2HB PRO 12 -9.345 -12.189 -1.854
62 HG2 PRO 12 1HG PRO 12 -6.639 -10.923 -1.669
63 HG3 PRO 12 2HG PRO 12 -7.063 -12.635 -1.849
64 HD2 PRO 12 1HD PRO 12 -6.264 -11.105 -3.935
65 HD3 PRO 12 2HD PRO 12 -7.423 -12.437 -4.117
66 H TYR 13 H TYR 13 -7.109 -8.788 -2.936
67 HA TYR 13 HA TYR 13 -8.320 -6.628 -1.341
68 HB2 TYR 13 1HB TYR 13 -5.365 -6.808 -1.714
69 HB3 TYR 13 2HB TYR 13 -6.288 -6.200 -0.344
70 HD1 TYR 13 HD2 TYR 13 -8.069 -8.541 0.154
71 HD2 TYR 13 HD1 TYR 13 -3.909 -8.347 -0.714
72 HE1 TYR 13 HE2 TYR 13 -7.730 -10.673 1.333
73 HE2 TYR 13 HE1 TYR 13 -3.558 -10.479 0.462
74 HH TYR 13 HH TYR 13 -4.799 -12.433 1.140
75 H LYS 14 H LYS 14 -9.032 -5.076 -2.648
76 HA LYS 14 HA LYS 14 -7.312 -4.247 -4.894
77 HB2 LYS 14 1HB LYS 14 -9.314 -5.165 -5.813
78 HB3 LYS 14 2HB LYS 14 -10.320 -4.291 -4.665
79 HG2 LYS 14 1HG LYS 14 -9.249 -2.187 -5.797
80 HG3 LYS 14 2HG LYS 14 -8.955 -3.314 -7.124
81 HD2 LYS 14 1HD LYS 14 -11.488 -3.920 -6.720
82 HD3 LYS 14 2HD LYS 14 -11.531 -2.301 -6.017
83 HE2 LYS 14 1HE LYS 14 -12.052 -1.851 -8.211
84 HE3 LYS 14 2HE LYS 14 -10.303 -1.630 -8.224
85 HZ1 LYS 14 3HZ LYS 14 -10.585 -2.969 -10.033
86 HZ2 LYS 14 1HZ LYS 14 -11.912 -3.792 -9.380
87 HZ3 LYS 14 2HZ LYS 14 -10.347 -4.151 -8.846
88 H CYS 15 H CYS 15 -6.806 -2.121 -5.092
89 HA CYS 15 HA CYS 15 -6.937 -0.450 -2.849
90 HB2 CYS 15 1HB CYS 15 -5.437 -0.416 -5.050
91 HB3 CYS 15 2HB CYS 15 -6.636 0.772 -5.552
92 H GLN 16 H GLN 16 -7.754 1.968 -3.274
93 HA GLN 16 HA GLN 16 -10.531 1.820 -4.233
94 HB2 GLN 16 1HB GLN 16 -9.661 3.311 -1.756
95 HB3 GLN 16 2HB GLN 16 -11.304 3.090 -2.341
96 HG2 GLN 16 1HG GLN 16 -9.481 0.937 -1.293
97 HG3 GLN 16 2HG GLN 16 -10.863 1.642 -0.456
98 HE21 GLN 16 1HE2 GLN 16 -9.989 -1.068 -1.800
99 HE22 GLN 16 2HE2 GLN 16 -11.457 -1.585 -2.550
100 H VAL 17 H VAL 17 -7.626 3.681 -3.770
101 HA VAL 17 HA VAL 17 -8.707 6.153 -4.740
102 HB VAL 17 HB VAL 17 -6.345 6.896 -4.845
103 HG11 VAL 17 1HG1 VAL 17 -7.357 5.583 -2.339
104 HG12 VAL 17 2HG1 VAL 17 -5.876 6.542 -2.368
105 HG13 VAL 17 3HG1 VAL 17 -7.419 7.286 -2.790
106 HG21 VAL 17 3HG2 VAL 17 -4.925 5.204 -5.338
107 HG22 VAL 17 1HG2 VAL 17 -4.830 5.075 -3.582
108 HG23 VAL 17 2HG2 VAL 17 -5.892 3.998 -4.489
109 H CYS 18 H CYS 18 -6.748 3.542 -6.117
110 HA CYS 18 HA CYS 18 -7.149 4.736 -8.781
111 HB2 CYS 18 1HB CYS 18 -5.147 3.573 -9.506
112 HB3 CYS 18 2HB CYS 18 -4.781 4.527 -8.073
113 H GLY 19 H GLY 19 -7.519 1.885 -6.809
114 HA2 GLY 19 1HA GLY 19 -9.194 0.261 -7.200
115 HA3 GLY 19 2HA GLY 19 -9.210 0.721 -8.896
116 H LYS 20 H LYS 20 -6.159 0.218 -7.363
117 HA LYS 20 HA LYS 20 -5.418 -1.807 -9.199
118 HB2 LYS 20 1HB LYS 20 -4.168 -0.516 -6.823
119 HB3 LYS 20 2HB LYS 20 -3.496 -2.047 -7.367
120 HG2 LYS 20 1HG LYS 20 -3.933 0.178 -9.312
121 HG3 LYS 20 2HG LYS 20 -2.513 0.169 -8.263
122 HD2 LYS 20 1HD LYS 20 -2.215 -2.264 -9.116
123 HD3 LYS 20 2HD LYS 20 -3.287 -1.756 -10.423
124 HE2 LYS 20 1HE LYS 20 -0.822 -0.209 -9.672
125 HE3 LYS 20 2HE LYS 20 -0.779 -1.543 -10.823
126 HZ1 LYS 20 3HZ LYS 20 -2.683 0.683 -11.172
127 HZ2 LYS 20 1HZ LYS 20 -2.078 -0.390 -12.332
128 HZ3 LYS 20 2HZ LYS 20 -1.084 0.827 -11.706
129 H ALA 21 H ALA 21 -4.291 -3.873 -8.224
130 HA ALA 21 HA ALA 21 -5.835 -5.064 -6.063
131 HB1 ALA 21 3HB ALA 21 -5.715 -6.494 -8.703
132 HB2 ALA 21 1HB ALA 21 -6.698 -6.875 -7.289
133 HB3 ALA 21 2HB ALA 21 -7.061 -5.446 -8.256
134 H PHE 22 H PHE 22 -4.835 -6.839 -5.098
135 HA PHE 22 HA PHE 22 -2.357 -7.862 -6.204
136 HB2 PHE 22 1HB PHE 22 -2.283 -6.673 -3.437
137 HB3 PHE 22 2HB PHE 22 -0.932 -7.200 -4.435
138 HD1 PHE 22 HD2 PHE 22 -3.725 -4.730 -4.466
139 HD2 PHE 22 HD1 PHE 22 0.297 -5.610 -5.548
140 HE1 PHE 22 HE2 PHE 22 -3.448 -2.430 -5.294
141 HE2 PHE 22 HE1 PHE 22 0.580 -3.311 -6.377
142 HZ PHE 22 HZ PHE 22 -1.294 -1.718 -6.252
143 H ARG 23 H ARG 23 -2.488 -9.984 -5.969
144 HA ARG 23 HA ARG 23 -4.352 -11.358 -4.463
145 HB2 ARG 23 1HB ARG 23 -2.481 -13.243 -4.622
146 HB3 ARG 23 2HB ARG 23 -3.413 -12.735 -6.023
147 HG2 ARG 23 1HG ARG 23 -1.645 -11.500 -6.905
148 HG3 ARG 23 2HG ARG 23 -0.788 -11.457 -5.363
149 HD2 ARG 23 1HD ARG 23 -1.247 -13.916 -7.049
150 HD3 ARG 23 2HD ARG 23 0.257 -13.001 -6.963
151 HE ARG 23 HE ARG 23 -0.416 -13.731 -4.367
152 HH11 ARG 23 1HH1 ARG 23 0.455 -15.276 -7.363
153 HH12 ARG 23 2HH1 ARG 23 1.186 -16.646 -6.595
154 HH21 ARG 23 1HH2 ARG 23 0.543 -15.529 -3.344
155 HH22 ARG 23 2HH2 ARG 23 1.235 -16.789 -4.309
156 H VAL 24 H VAL 24 -1.454 -9.851 -3.432
157 HA VAL 24 HA VAL 24 -1.643 -11.203 -0.819
158 HB VAL 24 HB VAL 24 0.666 -10.823 -0.445
159 HG11 VAL 24 1HG1 VAL 24 1.694 -11.775 -2.624
160 HG12 VAL 24 2HG1 VAL 24 0.512 -12.741 -1.739
161 HG13 VAL 24 3HG1 VAL 24 0.022 -11.851 -3.181
162 HG21 VAL 24 3HG2 VAL 24 0.824 -9.265 -3.019
163 HG22 VAL 24 1HG2 VAL 24 0.660 -8.519 -1.429
164 HG23 VAL 24 2HG2 VAL 24 2.089 -9.479 -1.810
165 H SER 25 H SER 25 -1.165 -9.880 1.069
166 HA SER 25 HA SER 25 -2.462 -7.306 0.875
167 HB2 SER 25 1HB SER 25 -3.033 -8.730 2.753
168 HB3 SER 25 2HB SER 25 -1.342 -8.821 3.244
169 HG SER 25 HG SER 25 -1.879 -6.278 3.116
170 H SER 26 H SER 26 0.740 -8.541 1.747
171 HA SER 26 HA SER 26 1.974 -6.228 2.582
172 HB2 SER 26 1HB SER 26 4.081 -7.248 1.928
173 HB3 SER 26 2HB SER 26 3.015 -8.490 2.584
174 HG SER 26 HG SER 26 3.248 -9.486 0.762
175 H HIS 27 H HIS 27 2.107 -7.494 -0.754
176 HA HIS 27 HA HIS 27 3.334 -5.367 -1.978
177 HB2 HIS 27 1HB HIS 27 1.203 -7.236 -3.011
178 HB3 HIS 27 2HB HIS 27 2.007 -6.056 -4.042
179 HD2 HIS 27 HD2 HIS 27 4.533 -7.545 -1.649
180 HE1 HIS 27 HE1 HIS 27 4.753 -9.857 -5.200
181 HE2 HIS 27 HE2 HIS 27 5.795 -9.387 -2.955
182 H LEU 28 H LEU 28 -0.198 -5.843 -1.779
183 HA LEU 28 HA LEU 28 -1.049 -3.502 -2.912
184 HB2 LEU 28 1HB LEU 28 -2.694 -5.057 -2.344
185 HB3 LEU 28 2HB LEU 28 -2.158 -5.148 -0.667
186 HG LEU 28 HG LEU 28 -3.144 -3.026 -0.167
187 HD11 LEU 28 1HD1 LEU 28 -4.598 -2.245 -2.378
188 HD12 LEU 28 2HD1 LEU 28 -3.027 -2.689 -3.047
189 HD13 LEU 28 3HD1 LEU 28 -3.131 -1.479 -1.768
190 HD21 LEU 28 3HD2 LEU 28 -4.565 -5.259 -0.735
191 HD22 LEU 28 1HD2 LEU 28 -5.358 -4.084 -1.784
192 HD23 LEU 28 2HD2 LEU 28 -5.255 -3.788 -0.048
193 H VAL 29 H VAL 29 0.082 -4.006 0.393
194 HA VAL 29 HA VAL 29 -0.568 -1.465 1.410
195 HB VAL 29 HB VAL 29 1.668 -3.324 2.232
196 HG11 VAL 29 1HG1 VAL 29 0.535 -0.853 3.513
197 HG12 VAL 29 2HG1 VAL 29 1.409 -2.078 4.434
198 HG13 VAL 29 3HG1 VAL 29 2.216 -1.216 3.123
199 HG21 VAL 29 3HG2 VAL 29 -1.169 -3.487 2.519
200 HG22 VAL 29 1HG2 VAL 29 0.070 -4.608 3.083
201 HG23 VAL 29 2HG2 VAL 29 -0.439 -3.267 4.109
202 H GLN 30 H GLN 30 2.559 -2.695 0.210
203 HA GLN 30 HA GLN 30 3.982 -0.313 0.397
204 HB2 GLN 30 1HB GLN 30 4.316 -2.530 -1.632
205 HB3 GLN 30 2HB GLN 30 5.511 -1.290 -1.273
206 HG2 GLN 30 1HG GLN 30 4.540 -3.487 0.532
207 HG3 GLN 30 2HG GLN 30 6.157 -3.265 -0.134
208 HE21 GLN 30 1HE2 GLN 30 3.799 -1.980 2.120
209 HE22 GLN 30 2HE2 GLN 30 4.932 -1.154 3.129
210 H HIS 31 H HIS 31 1.562 -1.280 -1.858
211 HA HIS 31 HA HIS 31 2.283 0.673 -3.862
212 HB2 HIS 31 1HB HIS 31 1.249 -1.071 -4.927
213 HB3 HIS 31 2HB HIS 31 0.193 -1.420 -3.561
214 HD1 HIS 31 HD1 HIS 31 0.491 0.872 -6.534
215 HD2 HIS 31 HD2 HIS 31 -2.301 -0.239 -3.665
216 HE1 HIS 31 HE1 HIS 31 -1.688 1.874 -7.292
217 H HIS 32 H HIS 32 0.320 0.537 -1.034
218 HA HIS 32 HA HIS 32 -1.477 2.641 -1.675
219 HB2 HIS 32 1HB HIS 32 -0.643 1.281 0.866
220 HB3 HIS 32 2HB HIS 32 -1.633 2.736 0.932
221 HD2 HIS 32 HD2 HIS 32 -2.452 -0.670 1.406
222 HE1 HIS 32 HE1 HIS 32 -5.414 0.505 -1.395
223 HE2 HIS 32 HE2 HIS 32 -4.760 -1.183 0.356
224 H SER 33 H SER 33 1.777 2.731 -1.349
225 HA SER 33 HA SER 33 1.771 5.451 -0.218
226 HB2 SER 33 1HB SER 33 3.142 3.857 1.059
227 HB3 SER 33 2HB SER 33 4.060 3.475 -0.397
228 HG SER 33 HG SER 33 5.142 5.020 0.873
229 H VAL 34 H VAL 34 1.569 4.083 -3.083
230 HA VAL 34 HA VAL 34 3.708 5.460 -4.469
231 HB VAL 34 HB VAL 34 2.931 4.437 -6.460
232 HG11 VAL 34 1HG1 VAL 34 2.924 2.749 -4.018
233 HG12 VAL 34 2HG1 VAL 34 2.414 2.006 -5.536
234 HG13 VAL 34 3HG1 VAL 34 4.016 2.734 -5.403
235 HG21 VAL 34 3HG2 VAL 34 0.355 4.344 -5.017
236 HG22 VAL 34 1HG2 VAL 34 0.693 4.642 -6.722
237 HG23 VAL 34 2HG2 VAL 34 0.696 2.993 -6.098
238 H HIS 35 H HIS 35 0.282 5.861 -3.864
239 HA HIS 35 HA HIS 35 -0.079 7.971 -5.768
240 HB2 HIS 35 1HB HIS 35 -1.860 7.469 -3.395
241 HB3 HIS 35 2HB HIS 35 -2.294 8.119 -4.973
242 HD1 HIS 35 HD1 HIS 35 -1.709 6.180 -6.982
243 HD2 HIS 35 HD2 HIS 35 -2.703 4.926 -3.148
244 HE1 HIS 35 HE1 HIS 35 -2.477 3.799 -7.231
245 H SER 36 H SER 36 0.128 7.864 -2.214
246 HA SER 36 HA SER 36 0.126 10.702 -1.936
247 HB2 SER 36 1HB SER 36 0.603 8.387 -0.095
248 HB3 SER 36 2HB SER 36 1.042 10.012 0.432
249 HG SER 36 HG SER 36 -1.084 9.547 1.036
250 H GLY 37 H GLY 37 1.749 12.067 -2.259
251 HA2 GLY 37 1HA GLY 37 4.431 11.510 -1.466
252 HA3 GLY 37 2HA GLY 37 4.251 11.390 -3.210
253 H GLU 38 H GLU 38 4.541 13.490 -0.517
254 HA GLU 38 HA GLU 38 4.337 15.793 -0.316
255 HB2 GLU 38 1HB GLU 38 6.101 15.585 -2.760
256 HB3 GLU 38 2HB GLU 38 6.077 16.895 -1.588
257 HG2 GLU 38 1HG GLU 38 6.884 15.368 0.139
258 HG3 GLU 38 2HG GLU 38 6.910 14.055 -1.038
259 H ARG 39 H ARG 39 2.038 15.011 -1.516
260 HA ARG 39 HA ARG 39 1.509 17.261 -3.292
261 HB2 ARG 39 1HB ARG 39 1.143 14.375 -4.022
262 HB3 ARG 39 2HB ARG 39 0.074 15.598 -4.696
263 HG2 ARG 39 1HG ARG 39 1.991 16.766 -5.644
264 HG3 ARG 39 2HG ARG 39 3.074 15.556 -4.953
265 HD2 ARG 39 1HD ARG 39 2.755 14.964 -7.226
266 HD3 ARG 39 2HD ARG 39 1.805 13.828 -6.269
267 HE ARG 39 HE ARG 39 0.334 16.127 -7.197
268 HH11 ARG 39 1HH1 ARG 39 1.363 12.877 -7.906
269 HH12 ARG 39 2HH1 ARG 39 0.080 12.577 -9.031
270 HH21 ARG 39 1HH2 ARG 39 -1.360 15.743 -8.677
271 HH22 ARG 39 2HH2 ARG 39 -1.467 14.208 -9.470
272 HA PRO 40 HA PRO 40 -2.186 17.575 -0.941
273 HB2 PRO 40 1HB PRO 40 -3.825 18.778 -2.741
274 HB3 PRO 40 2HB PRO 40 -2.494 19.621 -1.939
275 HG2 PRO 40 1HG PRO 40 -2.596 18.416 -4.678
276 HG3 PRO 40 2HG PRO 40 -1.913 19.970 -4.164
277 HD2 PRO 40 1HD PRO 40 -0.382 17.783 -4.615
278 HD3 PRO 40 2HD PRO 40 0.032 19.003 -3.393
279 H SER 41 H SER 41 -3.879 16.298 -0.460
280 HA SER 41 HA SER 41 -4.627 14.238 -2.386
281 HB2 SER 41 1HB SER 41 -4.069 13.442 -0.173
282 HB3 SER 41 2HB SER 41 -5.222 14.555 0.565
283 HG SER 41 HG SER 41 -6.134 12.499 0.409
284 H GLY 42 H GLY 42 -6.733 13.857 -3.067
285 HA2 GLY 42 1HA GLY 42 -8.608 16.090 -2.584
286 HA3 GLY 42 2HA GLY 42 -8.472 15.251 -4.122
287 HA PRO 43 HA PRO 43 -10.652 12.264 -0.970
288 HB2 PRO 43 1HB PRO 43 -11.700 13.473 1.224
289 HB3 PRO 43 2HB PRO 43 -10.070 12.791 1.190
290 HG2 PRO 43 1HG PRO 43 -10.939 15.637 0.868
291 HG3 PRO 43 2HG PRO 43 -9.580 14.981 1.799
292 HD2 PRO 43 1HD PRO 43 -9.264 16.107 -0.643
293 HD3 PRO 43 2HD PRO 43 -8.238 14.779 -0.064
294 H SER 44 H SER 44 -13.039 12.185 -0.113
295 HA SER 44 HA SER 44 -14.662 14.000 -1.775
296 HB2 SER 44 1HB SER 44 -15.022 11.041 -1.264
297 HB3 SER 44 2HB SER 44 -16.264 12.059 -1.995
298 HG SER 44 HG SER 44 -14.530 12.623 -3.556
299 H SER 45 H SER 45 -16.995 14.067 -1.050
300 HA SER 45 HA SER 45 -17.144 13.996 1.893
301 HB2 SER 45 1HB SER 45 -16.978 16.312 1.034
302 HB3 SER 45 2HB SER 45 -18.421 16.039 0.057
303 HG SER 45 HG SER 45 -19.229 15.363 2.360
304 H GLY 46 H GLY 46 -19.025 13.266 2.822
305 HA2 GLY 46 1HA GLY 46 -21.463 12.886 1.443
306 HA3 GLY 46 2HA GLY 46 -20.553 11.382 1.444
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -2.773 -4.533 -23.482
2 HA2 GLY 1 1HA GLY 1 -2.197 -1.773 -22.641
3 HA3 GLY 1 2HA GLY 1 -3.862 -2.251 -22.940
4 H SER 2 H SER 2 -4.534 -1.897 -20.833
5 HA SER 2 HA SER 2 -3.254 -2.763 -18.515
6 HB2 SER 2 1HB SER 2 -5.532 -2.627 -17.465
7 HB3 SER 2 2HB SER 2 -5.072 -1.188 -18.373
8 HG SER 2 HG SER 2 -7.237 -1.961 -18.791
9 H SER 3 H SER 3 -2.487 -4.823 -18.517
10 HA SER 3 HA SER 3 -3.372 -7.120 -19.549
11 HB2 SER 3 1HB SER 3 -2.457 -6.901 -16.671
12 HB3 SER 3 2HB SER 3 -2.360 -8.332 -17.697
13 HG SER 3 HG SER 3 -0.471 -7.577 -18.212
14 H GLY 4 H GLY 4 -4.953 -8.627 -19.266
15 HA2 GLY 4 1HA GLY 4 -6.672 -8.645 -16.968
16 HA3 GLY 4 2HA GLY 4 -7.451 -7.948 -18.380
17 H SER 5 H SER 5 -7.370 -9.312 -20.386
18 HA SER 5 HA SER 5 -8.741 -11.599 -20.220
19 HB2 SER 5 1HB SER 5 -8.213 -10.648 -22.376
20 HB3 SER 5 2HB SER 5 -6.502 -11.021 -22.172
21 HG SER 5 HG SER 5 -7.199 -13.277 -22.070
22 H SER 6 H SER 6 -8.325 -13.843 -20.177
23 HA SER 6 HA SER 6 -7.395 -15.733 -19.319
24 HB2 SER 6 1HB SER 6 -5.026 -14.286 -20.451
25 HB3 SER 6 2HB SER 6 -4.778 -15.770 -19.530
26 HG SER 6 HG SER 6 -5.547 -15.511 -22.061
27 H GLY 7 H GLY 7 -8.107 -13.867 -17.424
28 HA2 GLY 7 1HA GLY 7 -5.879 -13.851 -15.500
29 HA3 GLY 7 2HA GLY 7 -7.309 -12.834 -15.410
30 H THR 8 H THR 8 -5.864 -15.151 -13.792
31 HA THR 8 HA THR 8 -7.621 -17.254 -13.424
32 HB THR 8 HB THR 8 -5.457 -17.318 -12.382
33 HG1 THR 8 HG1 THR 8 -6.208 -18.400 -10.714
34 HG21 THR 8 3HG2 THR 8 -5.642 -14.739 -11.866
35 HG22 THR 8 1HG2 THR 8 -4.618 -15.787 -10.887
36 HG23 THR 8 2HG2 THR 8 -6.216 -15.320 -10.303
37 H GLY 9 H GLY 9 -7.677 -14.029 -11.976
38 HA2 GLY 9 1HA GLY 9 -10.375 -13.746 -11.716
39 HA3 GLY 9 2HA GLY 9 -9.913 -14.626 -10.267
40 H GLU 10 H GLU 10 -11.061 -12.272 -9.847
41 HA GLU 10 HA GLU 10 -9.165 -10.115 -9.735
42 HB2 GLU 10 1HB GLU 10 -11.980 -10.496 -8.758
43 HB3 GLU 10 2HB GLU 10 -11.044 -9.090 -8.273
44 HG2 GLU 10 1HG GLU 10 -11.268 -9.769 -11.164
45 HG3 GLU 10 2HG GLU 10 -12.619 -8.988 -10.345
46 H LYS 11 H LYS 11 -7.857 -9.548 -8.108
47 HA LYS 11 HA LYS 11 -7.271 -11.322 -6.018
48 HB2 LYS 11 1HB LYS 11 -6.624 -8.375 -6.008
49 HB3 LYS 11 2HB LYS 11 -5.731 -9.677 -5.233
50 HG2 LYS 11 1HG LYS 11 -5.984 -9.190 -8.193
51 HG3 LYS 11 2HG LYS 11 -4.553 -8.923 -7.194
52 HD2 LYS 11 1HD LYS 11 -4.216 -11.221 -6.868
53 HD3 LYS 11 2HD LYS 11 -5.853 -11.624 -7.393
54 HE2 LYS 11 1HE LYS 11 -4.035 -10.268 -9.320
55 HE3 LYS 11 2HE LYS 11 -3.762 -11.974 -8.971
56 HZ1 LYS 11 3HZ LYS 11 -6.196 -12.284 -9.490
57 HZ2 LYS 11 1HZ LYS 11 -5.199 -11.912 -10.806
58 HZ3 LYS 11 2HZ LYS 11 -6.180 -10.716 -10.124
59 HA PRO 12 HA PRO 12 -10.168 -10.374 -2.855
60 HB2 PRO 12 1HB PRO 12 -8.666 -10.829 -0.640
61 HB3 PRO 12 2HB PRO 12 -9.264 -12.128 -1.678
62 HG2 PRO 12 1HG PRO 12 -6.555 -10.857 -1.607
63 HG3 PRO 12 2HG PRO 12 -6.983 -12.572 -1.748
64 HD2 PRO 12 1HD PRO 12 -6.261 -11.069 -3.882
65 HD3 PRO 12 2HD PRO 12 -7.424 -12.405 -4.004
66 H TYR 13 H TYR 13 -7.110 -8.705 -2.963
67 HA TYR 13 HA TYR 13 -8.269 -6.523 -1.356
68 HB2 TYR 13 1HB TYR 13 -5.318 -6.748 -1.749
69 HB3 TYR 13 2HB TYR 13 -6.220 -6.077 -0.394
70 HD1 TYR 13 HD2 TYR 13 -8.029 -8.365 0.212
71 HD2 TYR 13 HD1 TYR 13 -3.878 -8.278 -0.716
72 HE1 TYR 13 HE2 TYR 13 -7.711 -10.457 1.465
73 HE2 TYR 13 HE1 TYR 13 -3.549 -10.371 0.533
74 HH TYR 13 HH TYR 13 -6.159 -12.309 1.591
75 H LYS 14 H LYS 14 -8.939 -4.947 -2.646
76 HA LYS 14 HA LYS 14 -7.230 -4.182 -4.923
77 HB2 LYS 14 1HB LYS 14 -9.225 -5.159 -5.824
78 HB3 LYS 14 2HB LYS 14 -10.243 -4.228 -4.733
79 HG2 LYS 14 1HG LYS 14 -9.069 -2.199 -5.966
80 HG3 LYS 14 2HG LYS 14 -8.895 -3.407 -7.241
81 HD2 LYS 14 1HD LYS 14 -11.376 -3.862 -6.945
82 HD3 LYS 14 2HD LYS 14 -11.426 -2.392 -5.968
83 HE2 LYS 14 1HE LYS 14 -10.537 -1.117 -7.867
84 HE3 LYS 14 2HE LYS 14 -10.514 -2.588 -8.838
85 HZ1 LYS 14 3HZ LYS 14 -12.514 -1.760 -9.462
86 HZ2 LYS 14 1HZ LYS 14 -12.781 -0.948 -8.003
87 HZ3 LYS 14 2HZ LYS 14 -13.032 -2.617 -8.099
88 H CYS 15 H CYS 15 -6.666 -2.085 -5.083
89 HA CYS 15 HA CYS 15 -6.869 -0.363 -2.906
90 HB2 CYS 15 1HB CYS 15 -5.345 -0.354 -5.087
91 HB3 CYS 15 2HB CYS 15 -6.550 0.809 -5.629
92 H GLN 16 H GLN 16 -7.701 2.041 -3.386
93 HA GLN 16 HA GLN 16 -10.468 1.852 -4.369
94 HB2 GLN 16 1HB GLN 16 -9.604 3.346 -1.888
95 HB3 GLN 16 2HB GLN 16 -11.244 3.204 -2.508
96 HG2 GLN 16 1HG GLN 16 -9.661 0.784 -1.733
97 HG3 GLN 16 2HG GLN 16 -10.548 1.727 -0.536
98 HE21 GLN 16 1HE2 GLN 16 -10.723 -0.900 -2.455
99 HE22 GLN 16 2HE2 GLN 16 -12.436 -1.035 -2.628
100 H VAL 17 H VAL 17 -7.585 3.750 -3.901
101 HA VAL 17 HA VAL 17 -8.684 6.188 -4.945
102 HB VAL 17 HB VAL 17 -6.330 6.964 -5.009
103 HG11 VAL 17 1HG1 VAL 17 -7.438 7.410 -2.995
104 HG12 VAL 17 2HG1 VAL 17 -7.416 5.714 -2.505
105 HG13 VAL 17 3HG1 VAL 17 -5.922 6.653 -2.504
106 HG21 VAL 17 3HG2 VAL 17 -4.865 5.290 -5.413
107 HG22 VAL 17 1HG2 VAL 17 -4.831 5.190 -3.652
108 HG23 VAL 17 2HG2 VAL 17 -5.846 4.085 -4.579
109 H CYS 18 H CYS 18 -6.655 3.577 -6.214
110 HA CYS 18 HA CYS 18 -6.982 4.716 -8.910
111 HB2 CYS 18 1HB CYS 18 -4.962 3.569 -9.557
112 HB3 CYS 18 2HB CYS 18 -4.636 4.486 -8.089
113 H GLY 19 H GLY 19 -7.437 1.907 -6.899
114 HA2 GLY 19 1HA GLY 19 -9.100 0.279 -7.307
115 HA3 GLY 19 2HA GLY 19 -9.081 0.720 -9.008
116 H LYS 20 H LYS 20 -6.081 0.193 -7.361
117 HA LYS 20 HA LYS 20 -5.304 -1.845 -9.177
118 HB2 LYS 20 1HB LYS 20 -4.103 -0.505 -6.812
119 HB3 LYS 20 2HB LYS 20 -3.443 -2.073 -7.260
120 HG2 LYS 20 1HG LYS 20 -3.762 0.090 -9.302
121 HG3 LYS 20 2HG LYS 20 -2.366 0.056 -8.222
122 HD2 LYS 20 1HD LYS 20 -2.298 -2.477 -9.031
123 HD3 LYS 20 2HD LYS 20 -3.111 -1.780 -10.434
124 HE2 LYS 20 1HE LYS 20 -1.160 0.006 -10.187
125 HE3 LYS 20 2HE LYS 20 -0.350 -1.361 -9.424
126 HZ1 LYS 20 3HZ LYS 20 0.215 -1.798 -11.547
127 HZ2 LYS 20 1HZ LYS 20 -1.105 -0.968 -12.204
128 HZ3 LYS 20 2HZ LYS 20 -1.308 -2.533 -11.598
129 H ALA 21 H ALA 21 -4.231 -3.916 -8.179
130 HA ALA 21 HA ALA 21 -5.760 -5.071 -6.001
131 HB1 ALA 21 3HB ALA 21 -6.839 -6.752 -7.168
132 HB2 ALA 21 1HB ALA 21 -7.014 -5.371 -8.252
133 HB3 ALA 21 2HB ALA 21 -5.785 -6.595 -8.574
134 H PHE 22 H PHE 22 -4.795 -6.895 -5.090
135 HA PHE 22 HA PHE 22 -2.412 -8.014 -6.300
136 HB2 PHE 22 1HB PHE 22 -2.172 -6.801 -3.550
137 HB3 PHE 22 2HB PHE 22 -0.886 -7.422 -4.580
138 HD1 PHE 22 HD2 PHE 22 -3.439 -4.734 -4.365
139 HD2 PHE 22 HD1 PHE 22 0.296 -5.992 -5.974
140 HE1 PHE 22 HE2 PHE 22 -3.061 -2.470 -5.250
141 HE2 PHE 22 HE1 PHE 22 0.680 -3.729 -6.861
142 HZ PHE 22 HZ PHE 22 -1.000 -1.965 -6.500
143 H ARG 23 H ARG 23 -2.499 -10.130 -5.990
144 HA ARG 23 HA ARG 23 -4.387 -11.453 -4.461
145 HB2 ARG 23 1HB ARG 23 -2.552 -13.369 -4.589
146 HB3 ARG 23 2HB ARG 23 -3.462 -12.861 -6.006
147 HG2 ARG 23 1HG ARG 23 -1.666 -11.829 -6.966
148 HG3 ARG 23 2HG ARG 23 -0.894 -11.489 -5.415
149 HD2 ARG 23 1HD ARG 23 -1.153 -14.239 -6.623
150 HD3 ARG 23 2HD ARG 23 0.274 -13.215 -6.780
151 HE ARG 23 HE ARG 23 -0.551 -13.680 -4.061
152 HH11 ARG 23 1HH1 ARG 23 1.357 -14.845 -6.730
153 HH12 ARG 23 2HH1 ARG 23 2.441 -15.752 -5.729
154 HH21 ARG 23 1HH2 ARG 23 0.870 -14.872 -2.732
155 HH22 ARG 23 2HH2 ARG 23 2.162 -15.768 -3.455
156 H VAL 24 H VAL 24 -1.463 -9.967 -3.463
157 HA VAL 24 HA VAL 24 -1.674 -11.261 -0.822
158 HB VAL 24 HB VAL 24 0.633 -10.982 -0.468
159 HG11 VAL 24 1HG1 VAL 24 0.865 -11.573 -3.358
160 HG12 VAL 24 2HG1 VAL 24 1.460 -12.474 -1.962
161 HG13 VAL 24 3HG1 VAL 24 -0.239 -12.581 -2.423
162 HG21 VAL 24 3HG2 VAL 24 1.650 -9.120 -1.129
163 HG22 VAL 24 1HG2 VAL 24 1.663 -9.744 -2.778
164 HG23 VAL 24 2HG2 VAL 24 0.321 -8.744 -2.225
165 H SER 25 H SER 25 -1.050 -9.880 1.024
166 HA SER 25 HA SER 25 -2.374 -7.322 0.821
167 HB2 SER 25 1HB SER 25 -2.924 -8.409 2.811
168 HB3 SER 25 2HB SER 25 -1.272 -8.967 3.078
169 HG SER 25 HG SER 25 -2.047 -7.156 4.420
170 H SER 26 H SER 26 0.851 -8.424 1.866
171 HA SER 26 HA SER 26 2.109 -6.106 2.437
172 HB2 SER 26 1HB SER 26 3.399 -8.073 2.605
173 HB3 SER 26 2HB SER 26 3.115 -8.507 0.919
174 HG SER 26 HG SER 26 4.393 -6.084 1.406
175 H HIS 27 H HIS 27 2.498 -7.451 -0.835
176 HA HIS 27 HA HIS 27 3.498 -5.335 -2.156
177 HB2 HIS 27 1HB HIS 27 1.407 -7.300 -3.078
178 HB3 HIS 27 2HB HIS 27 2.112 -6.108 -4.166
179 HD2 HIS 27 HD2 HIS 27 4.609 -7.703 -1.701
180 HE1 HIS 27 HE1 HIS 27 5.128 -9.595 -5.463
181 HE2 HIS 27 HE2 HIS 27 5.999 -9.368 -3.110
182 H LEU 28 H LEU 28 -0.016 -5.881 -1.850
183 HA LEU 28 HA LEU 28 -0.883 -3.525 -3.011
184 HB2 LEU 28 1HB LEU 28 -2.537 -5.093 -2.585
185 HB3 LEU 28 2HB LEU 28 -2.028 -5.320 -0.913
186 HG LEU 28 HG LEU 28 -2.998 -3.175 -0.303
187 HD11 LEU 28 1HD1 LEU 28 -3.312 -2.929 -3.244
188 HD12 LEU 28 2HD1 LEU 28 -2.889 -1.711 -2.041
189 HD13 LEU 28 3HD1 LEU 28 -4.565 -2.232 -2.216
190 HD21 LEU 28 3HD2 LEU 28 -4.363 -5.301 -0.389
191 HD22 LEU 28 1HD2 LEU 28 -5.027 -4.707 -1.911
192 HD23 LEU 28 2HD2 LEU 28 -5.277 -3.792 -0.424
193 H VAL 29 H VAL 29 0.134 -4.129 0.314
194 HA VAL 29 HA VAL 29 -0.620 -1.649 1.403
195 HB VAL 29 HB VAL 29 1.639 -3.476 2.232
196 HG11 VAL 29 1HG1 VAL 29 1.844 -1.141 3.069
197 HG12 VAL 29 2HG1 VAL 29 0.273 -1.330 3.850
198 HG13 VAL 29 3HG1 VAL 29 1.632 -2.340 4.344
199 HG21 VAL 29 3HG2 VAL 29 -1.254 -3.589 2.545
200 HG22 VAL 29 1HG2 VAL 29 -0.038 -4.842 2.791
201 HG23 VAL 29 2HG2 VAL 29 -0.390 -3.690 4.079
202 H GLN 30 H GLN 30 2.538 -2.747 0.167
203 HA GLN 30 HA GLN 30 3.892 -0.323 0.523
204 HB2 GLN 30 1HB GLN 30 4.382 -2.469 -1.549
205 HB3 GLN 30 2HB GLN 30 5.519 -1.204 -1.103
206 HG2 GLN 30 1HG GLN 30 4.536 -3.466 0.613
207 HG3 GLN 30 2HG GLN 30 6.167 -3.213 -0.006
208 HE21 GLN 30 1HE2 GLN 30 3.737 -2.014 2.218
209 HE22 GLN 30 2HE2 GLN 30 4.832 -1.190 3.269
210 H HIS 31 H HIS 31 1.577 -1.294 -1.829
211 HA HIS 31 HA HIS 31 2.312 0.733 -3.757
212 HB2 HIS 31 1HB HIS 31 1.391 -1.013 -4.916
213 HB3 HIS 31 2HB HIS 31 0.301 -1.450 -3.604
214 HD1 HIS 31 HD1 HIS 31 0.604 0.907 -6.518
215 HD2 HIS 31 HD2 HIS 31 -2.228 -0.329 -3.740
216 HE1 HIS 31 HE1 HIS 31 -1.584 1.852 -7.321
217 H HIS 32 H HIS 32 0.279 0.459 -0.999
218 HA HIS 32 HA HIS 32 -1.614 2.469 -1.642
219 HB2 HIS 32 1HB HIS 32 -0.758 1.063 0.846
220 HB3 HIS 32 2HB HIS 32 -1.689 2.549 1.013
221 HD2 HIS 32 HD2 HIS 32 -2.602 -0.869 1.312
222 HE1 HIS 32 HE1 HIS 32 -5.638 0.593 -1.265
223 HE2 HIS 32 HE2 HIS 32 -4.969 -1.233 0.336
224 H SER 33 H SER 33 1.636 2.729 -1.254
225 HA SER 33 HA SER 33 1.452 5.464 -0.175
226 HB2 SER 33 1HB SER 33 2.904 3.606 0.977
227 HB3 SER 33 2HB SER 33 4.044 3.962 -0.320
228 HG SER 33 HG SER 33 2.972 6.132 1.051
229 H VAL 34 H VAL 34 1.315 4.150 -3.007
230 HA VAL 34 HA VAL 34 3.500 5.514 -4.350
231 HB VAL 34 HB VAL 34 2.846 4.431 -6.324
232 HG11 VAL 34 1HG1 VAL 34 3.763 2.702 -5.156
233 HG12 VAL 34 2HG1 VAL 34 2.562 2.790 -3.865
234 HG13 VAL 34 3HG1 VAL 34 2.147 2.044 -5.409
235 HG21 VAL 34 3HG2 VAL 34 0.668 3.347 -6.640
236 HG22 VAL 34 1HG2 VAL 34 0.171 3.891 -5.038
237 HG23 VAL 34 2HG2 VAL 34 0.496 5.070 -6.309
238 H HIS 35 H HIS 35 0.264 6.141 -3.450
239 HA HIS 35 HA HIS 35 -0.109 8.195 -5.486
240 HB2 HIS 35 1HB HIS 35 -2.012 7.593 -3.233
241 HB3 HIS 35 2HB HIS 35 -2.364 8.305 -4.805
242 HD1 HIS 35 HD1 HIS 35 -1.824 6.505 -6.880
243 HD2 HIS 35 HD2 HIS 35 -2.690 4.985 -3.111
244 HE1 HIS 35 HE1 HIS 35 -2.523 4.120 -7.261
245 H SER 36 H SER 36 -0.327 8.021 -1.927
246 HA SER 36 HA SER 36 -0.483 10.696 -1.353
247 HB2 SER 36 1HB SER 36 0.878 8.453 0.136
248 HB3 SER 36 2HB SER 36 0.776 10.085 0.795
249 HG SER 36 HG SER 36 -1.457 8.548 -0.044
250 H GLY 37 H GLY 37 0.717 12.249 -2.255
251 HA2 GLY 37 1HA GLY 37 3.179 13.027 -1.574
252 HA3 GLY 37 2HA GLY 37 3.543 11.813 -2.791
253 H GLU 38 H GLU 38 2.515 12.120 -4.938
254 HA GLU 38 HA GLU 38 2.299 14.992 -5.561
255 HB2 GLU 38 1HB GLU 38 4.282 13.524 -6.452
256 HB3 GLU 38 2HB GLU 38 3.087 12.958 -7.611
257 HG2 GLU 38 1HG GLU 38 4.219 14.711 -8.673
258 HG3 GLU 38 2HG GLU 38 2.670 15.385 -8.171
259 H ARG 39 H ARG 39 0.796 15.645 -7.143
260 HA ARG 39 HA ARG 39 -1.732 14.758 -7.023
261 HB2 ARG 39 1HB ARG 39 -0.729 16.732 -8.366
262 HB3 ARG 39 2HB ARG 39 -0.653 15.591 -9.701
263 HG2 ARG 39 1HG ARG 39 -3.209 16.030 -8.211
264 HG3 ARG 39 2HG ARG 39 -2.701 17.131 -9.493
265 HD2 ARG 39 1HD ARG 39 -2.360 14.899 -10.833
266 HD3 ARG 39 2HD ARG 39 -3.505 14.265 -9.652
267 HE ARG 39 HE ARG 39 -4.057 16.112 -11.796
268 HH11 ARG 39 1HH1 ARG 39 -5.113 14.847 -8.729
269 HH12 ARG 39 2HH1 ARG 39 -6.773 15.279 -8.974
270 HH21 ARG 39 1HH2 ARG 39 -6.239 16.687 -12.130
271 HH22 ARG 39 2HH2 ARG 39 -7.412 16.325 -10.910
272 HA PRO 40 HA PRO 40 -1.781 10.675 -8.723
273 HB2 PRO 40 1HB PRO 40 -4.477 10.400 -8.884
274 HB3 PRO 40 2HB PRO 40 -3.591 10.305 -7.357
275 HG2 PRO 40 1HG PRO 40 -5.109 12.605 -8.526
276 HG3 PRO 40 2HG PRO 40 -5.083 12.015 -6.854
277 HD2 PRO 40 1HD PRO 40 -3.650 14.165 -7.663
278 HD3 PRO 40 2HD PRO 40 -3.092 13.074 -6.379
279 H SER 41 H SER 41 -1.731 9.855 -10.738
280 HA SER 41 HA SER 41 -2.408 11.588 -12.950
281 HB2 SER 41 1HB SER 41 -1.193 8.816 -12.881
282 HB3 SER 41 2HB SER 41 -1.398 9.786 -14.340
283 HG SER 41 HG SER 41 0.622 10.249 -13.693
284 H GLY 42 H GLY 42 -4.699 11.645 -12.751
285 HA2 GLY 42 1HA GLY 42 -6.444 9.514 -12.610
286 HA3 GLY 42 2HA GLY 42 -6.798 11.018 -13.447
287 HA PRO 43 HA PRO 43 -6.746 9.044 -17.355
288 HB2 PRO 43 1HB PRO 43 -5.285 10.702 -18.932
289 HB3 PRO 43 2HB PRO 43 -6.903 11.109 -18.349
290 HG2 PRO 43 1HG PRO 43 -4.237 11.966 -17.291
291 HG3 PRO 43 2HG PRO 43 -5.707 12.928 -17.531
292 HD2 PRO 43 1HD PRO 43 -4.969 11.973 -15.106
293 HD3 PRO 43 2HD PRO 43 -6.670 12.174 -15.576
294 H SER 44 H SER 44 -5.558 7.157 -16.823
295 HA SER 44 HA SER 44 -2.703 7.094 -16.916
296 HB2 SER 44 1HB SER 44 -4.216 5.487 -15.640
297 HB3 SER 44 2HB SER 44 -4.540 4.713 -17.191
298 HG SER 44 HG SER 44 -2.797 3.747 -16.006
299 H SER 45 H SER 45 -5.253 5.921 -19.104
300 HA SER 45 HA SER 45 -3.345 5.226 -21.148
301 HB2 SER 45 1HB SER 45 -5.607 4.082 -20.692
302 HB3 SER 45 2HB SER 45 -6.325 5.447 -21.547
303 HG SER 45 HG SER 45 -4.255 3.850 -22.639
304 H GLY 46 H GLY 46 -2.279 7.014 -21.876
305 HA2 GLY 46 1HA GLY 46 -3.495 8.618 -23.832
306 HA3 GLY 46 2HA GLY 46 -3.426 9.539 -22.337
Start of MODEL 14
1 H1 GLY 1 H GLY 1 0.266 -10.615 -26.042
2 HA2 GLY 1 1HA GLY 1 2.451 -10.053 -24.782
3 HA3 GLY 1 2HA GLY 1 1.654 -8.508 -24.528
4 H SER 2 H SER 2 1.937 -11.768 -23.506
5 HA SER 2 HA SER 2 0.646 -11.260 -21.040
6 HB2 SER 2 1HB SER 2 -1.302 -12.682 -21.236
7 HB3 SER 2 2HB SER 2 -1.362 -11.471 -22.517
8 HG SER 2 HG SER 2 -0.100 -13.394 -23.624
9 H SER 3 H SER 3 0.770 -13.052 -19.580
10 HA SER 3 HA SER 3 3.092 -14.564 -19.795
11 HB2 SER 3 1HB SER 3 0.653 -14.823 -18.049
12 HB3 SER 3 2HB SER 3 1.984 -15.974 -17.930
13 HG SER 3 HG SER 3 3.365 -14.134 -17.570
14 H GLY 4 H GLY 4 -0.258 -15.793 -19.982
15 HA2 GLY 4 1HA GLY 4 -0.687 -17.182 -22.043
16 HA3 GLY 4 2HA GLY 4 0.784 -18.035 -21.599
17 H SER 5 H SER 5 -2.046 -16.945 -19.730
18 HA SER 5 HA SER 5 -2.596 -19.747 -19.050
19 HB2 SER 5 1HB SER 5 -1.232 -18.497 -17.254
20 HB3 SER 5 2HB SER 5 -2.715 -17.592 -16.948
21 HG SER 5 HG SER 5 -2.628 -19.381 -15.586
22 H SER 6 H SER 6 -4.761 -20.051 -18.093
23 HA SER 6 HA SER 6 -6.661 -18.041 -19.115
24 HB2 SER 6 1HB SER 6 -8.211 -19.845 -19.608
25 HB3 SER 6 2HB SER 6 -6.665 -20.183 -20.386
26 HG SER 6 HG SER 6 -7.937 -21.501 -18.308
27 H GLY 7 H GLY 7 -8.045 -17.179 -17.701
28 HA2 GLY 7 1HA GLY 7 -9.284 -16.859 -15.791
29 HA3 GLY 7 2HA GLY 7 -9.137 -18.584 -15.487
30 H THR 8 H THR 8 -7.477 -15.484 -15.142
31 HA THR 8 HA THR 8 -5.528 -16.574 -13.311
32 HB THR 8 HB THR 8 -4.752 -14.788 -14.690
33 HG1 THR 8 HG1 THR 8 -4.214 -13.209 -13.015
34 HG21 THR 8 3HG2 THR 8 -6.099 -13.159 -15.387
35 HG22 THR 8 1HG2 THR 8 -6.211 -12.534 -13.743
36 HG23 THR 8 2HG2 THR 8 -7.364 -13.744 -14.306
37 H GLY 9 H GLY 9 -8.716 -15.757 -13.014
38 HA2 GLY 9 1HA GLY 9 -10.076 -15.516 -11.176
39 HA3 GLY 9 2HA GLY 9 -8.680 -15.907 -10.182
40 H GLU 10 H GLU 10 -10.614 -14.029 -9.432
41 HA GLU 10 HA GLU 10 -9.351 -11.426 -9.881
42 HB2 GLU 10 1HB GLU 10 -11.980 -12.169 -8.588
43 HB3 GLU 10 2HB GLU 10 -11.375 -10.525 -8.734
44 HG2 GLU 10 1HG GLU 10 -12.962 -10.905 -10.471
45 HG3 GLU 10 2HG GLU 10 -11.358 -10.803 -11.196
46 H LYS 11 H LYS 11 -8.238 -10.368 -8.351
47 HA LYS 11 HA LYS 11 -7.389 -11.737 -6.015
48 HB2 LYS 11 1HB LYS 11 -7.059 -8.854 -6.860
49 HB3 LYS 11 2HB LYS 11 -6.266 -9.568 -5.463
50 HG2 LYS 11 1HG LYS 11 -4.866 -10.871 -6.756
51 HG3 LYS 11 2HG LYS 11 -5.930 -10.801 -8.162
52 HD2 LYS 11 1HD LYS 11 -5.378 -8.429 -8.451
53 HD3 LYS 11 2HD LYS 11 -4.307 -8.510 -7.051
54 HE2 LYS 11 1HE LYS 11 -2.776 -8.828 -8.709
55 HE3 LYS 11 2HE LYS 11 -3.250 -10.503 -8.432
56 HZ1 LYS 11 3HZ LYS 11 -4.970 -10.061 -10.252
57 HZ2 LYS 11 1HZ LYS 11 -3.357 -10.263 -10.721
58 HZ3 LYS 11 2HZ LYS 11 -4.027 -8.712 -10.644
59 HA PRO 12 HA PRO 12 -10.527 -10.624 -3.136
60 HB2 PRO 12 1HB PRO 12 -9.107 -10.853 -0.834
61 HB3 PRO 12 2HB PRO 12 -9.646 -12.250 -1.774
62 HG2 PRO 12 1HG PRO 12 -6.960 -10.929 -1.715
63 HG3 PRO 12 2HG PRO 12 -7.357 -12.657 -1.718
64 HD2 PRO 12 1HD PRO 12 -6.574 -11.337 -3.949
65 HD3 PRO 12 2HD PRO 12 -7.712 -12.699 -3.995
66 H TYR 13 H TYR 13 -7.371 -9.043 -2.887
67 HA TYR 13 HA TYR 13 -8.602 -6.752 -1.543
68 HB2 TYR 13 1HB TYR 13 -5.678 -6.921 -2.164
69 HB3 TYR 13 2HB TYR 13 -6.487 -6.140 -0.809
70 HD1 TYR 13 HD2 TYR 13 -8.224 -8.468 0.036
71 HD2 TYR 13 HD1 TYR 13 -4.106 -8.250 -1.008
72 HE1 TYR 13 HE2 TYR 13 -7.770 -10.433 1.443
73 HE2 TYR 13 HE1 TYR 13 -3.640 -10.216 0.395
74 HH TYR 13 HH TYR 13 -4.572 -11.920 1.544
75 H LYS 14 H LYS 14 -8.432 -4.643 -2.351
76 HA LYS 14 HA LYS 14 -7.257 -4.116 -4.917
77 HB2 LYS 14 1HB LYS 14 -9.254 -5.136 -5.753
78 HB3 LYS 14 2HB LYS 14 -10.258 -4.238 -4.623
79 HG2 LYS 14 1HG LYS 14 -9.189 -2.172 -5.889
80 HG3 LYS 14 2HG LYS 14 -9.025 -3.371 -7.174
81 HD2 LYS 14 1HD LYS 14 -11.529 -3.888 -6.582
82 HD3 LYS 14 2HD LYS 14 -11.490 -2.253 -5.915
83 HE2 LYS 14 1HE LYS 14 -12.224 -1.995 -8.132
84 HE3 LYS 14 2HE LYS 14 -10.523 -1.533 -8.155
85 HZ1 LYS 14 3HZ LYS 14 -9.967 -3.708 -9.019
86 HZ2 LYS 14 1HZ LYS 14 -11.107 -2.963 -10.023
87 HZ3 LYS 14 2HZ LYS 14 -11.589 -4.186 -8.959
88 H CYS 15 H CYS 15 -6.706 -2.022 -5.070
89 HA CYS 15 HA CYS 15 -6.989 -0.290 -2.883
90 HB2 CYS 15 1HB CYS 15 -5.335 -0.324 -4.976
91 HB3 CYS 15 2HB CYS 15 -6.485 0.863 -5.582
92 H GLN 16 H GLN 16 -7.854 2.030 -3.198
93 HA GLN 16 HA GLN 16 -10.517 1.893 -4.450
94 HB2 GLN 16 1HB GLN 16 -9.845 3.409 -1.927
95 HB3 GLN 16 2HB GLN 16 -11.438 3.169 -2.632
96 HG2 GLN 16 1HG GLN 16 -9.806 0.816 -1.792
97 HG3 GLN 16 2HG GLN 16 -10.701 1.752 -0.595
98 HE21 GLN 16 1HE2 GLN 16 -10.990 -0.177 -3.509
99 HE22 GLN 16 2HE2 GLN 16 -12.647 -0.613 -3.283
100 H VAL 17 H VAL 17 -7.703 3.828 -3.694
101 HA VAL 17 HA VAL 17 -8.686 6.282 -4.742
102 HB VAL 17 HB VAL 17 -6.305 6.983 -4.772
103 HG11 VAL 17 1HG1 VAL 17 -7.455 5.698 -2.315
104 HG12 VAL 17 2HG1 VAL 17 -5.929 6.583 -2.273
105 HG13 VAL 17 3HG1 VAL 17 -7.414 7.406 -2.753
106 HG21 VAL 17 3HG2 VAL 17 -4.858 5.308 -5.179
107 HG22 VAL 17 1HG2 VAL 17 -4.915 5.077 -3.431
108 HG23 VAL 17 2HG2 VAL 17 -5.921 4.084 -4.485
109 H CYS 18 H CYS 18 -6.799 3.618 -6.097
110 HA CYS 18 HA CYS 18 -7.101 4.850 -8.758
111 HB2 CYS 18 1HB CYS 18 -5.076 3.683 -9.443
112 HB3 CYS 18 2HB CYS 18 -4.749 4.672 -8.023
113 H GLY 19 H GLY 19 -7.545 2.017 -6.796
114 HA2 GLY 19 1HA GLY 19 -9.179 0.372 -7.238
115 HA3 GLY 19 2HA GLY 19 -9.156 0.837 -8.932
116 H LYS 20 H LYS 20 -6.122 0.375 -7.376
117 HA LYS 20 HA LYS 20 -5.290 -1.606 -9.187
118 HB2 LYS 20 1HB LYS 20 -4.194 -0.396 -6.703
119 HB3 LYS 20 2HB LYS 20 -3.503 -1.929 -7.218
120 HG2 LYS 20 1HG LYS 20 -3.762 0.361 -9.128
121 HG3 LYS 20 2HG LYS 20 -2.401 0.251 -8.010
122 HD2 LYS 20 1HD LYS 20 -2.311 -2.223 -8.987
123 HD3 LYS 20 2HD LYS 20 -3.076 -1.427 -10.365
124 HE2 LYS 20 1HE LYS 20 -1.130 0.330 -9.928
125 HE3 LYS 20 2HE LYS 20 -0.348 -1.092 -9.239
126 HZ1 LYS 20 3HZ LYS 20 0.064 -1.871 -11.258
127 HZ2 LYS 20 1HZ LYS 20 -0.481 -0.404 -11.900
128 HZ3 LYS 20 2HZ LYS 20 -1.550 -1.704 -11.737
129 H ALA 21 H ALA 21 -4.153 -3.678 -8.101
130 HA ALA 21 HA ALA 21 -5.820 -4.964 -6.119
131 HB1 ALA 21 3HB ALA 21 -6.960 -5.215 -8.402
132 HB2 ALA 21 1HB ALA 21 -5.643 -6.324 -8.786
133 HB3 ALA 21 2HB ALA 21 -6.721 -6.669 -7.434
134 H PHE 22 H PHE 22 -4.776 -6.595 -5.068
135 HA PHE 22 HA PHE 22 -2.340 -7.717 -6.203
136 HB2 PHE 22 1HB PHE 22 -2.221 -6.571 -3.425
137 HB3 PHE 22 2HB PHE 22 -0.892 -7.047 -4.478
138 HD1 PHE 22 HD2 PHE 22 -3.759 -4.656 -4.490
139 HD2 PHE 22 HD1 PHE 22 0.330 -5.365 -5.434
140 HE1 PHE 22 HE2 PHE 22 -3.534 -2.327 -5.250
141 HE2 PHE 22 HE1 PHE 22 0.562 -3.037 -6.195
142 HZ PHE 22 HZ PHE 22 -1.372 -1.515 -6.105
143 H ARG 23 H ARG 23 -2.800 -9.819 -6.095
144 HA ARG 23 HA ARG 23 -4.595 -11.136 -4.529
145 HB2 ARG 23 1HB ARG 23 -3.228 -13.181 -4.881
146 HB3 ARG 23 2HB ARG 23 -3.475 -12.249 -6.352
147 HG2 ARG 23 1HG ARG 23 -1.193 -11.202 -5.841
148 HG3 ARG 23 2HG ARG 23 -0.987 -12.544 -4.713
149 HD2 ARG 23 1HD ARG 23 -0.058 -13.454 -6.595
150 HD3 ARG 23 2HD ARG 23 -1.732 -13.969 -6.796
151 HE ARG 23 HE ARG 23 -1.912 -12.581 -8.615
152 HH11 ARG 23 1HH1 ARG 23 0.991 -11.817 -6.853
153 HH12 ARG 23 2HH1 ARG 23 1.608 -10.752 -8.072
154 HH21 ARG 23 1HH2 ARG 23 -1.111 -11.181 -10.229
155 HH22 ARG 23 2HH2 ARG 23 0.411 -10.390 -9.992
156 H VAL 24 H VAL 24 -1.593 -9.792 -3.540
157 HA VAL 24 HA VAL 24 -1.803 -11.156 -0.935
158 HB VAL 24 HB VAL 24 0.525 -10.850 -0.593
159 HG11 VAL 24 1HG1 VAL 24 1.306 -12.390 -2.067
160 HG12 VAL 24 2HG1 VAL 24 -0.410 -12.508 -2.463
161 HG13 VAL 24 3HG1 VAL 24 0.664 -11.536 -3.470
162 HG21 VAL 24 3HG2 VAL 24 0.207 -8.604 -2.239
163 HG22 VAL 24 1HG2 VAL 24 1.672 -9.132 -1.411
164 HG23 VAL 24 2HG2 VAL 24 1.359 -9.651 -3.067
165 H SER 25 H SER 25 -1.040 -9.827 0.935
166 HA SER 25 HA SER 25 -2.341 -7.236 0.831
167 HB2 SER 25 1HB SER 25 -2.833 -8.691 2.724
168 HB3 SER 25 2HB SER 25 -1.122 -8.766 3.143
169 HG SER 25 HG SER 25 -1.191 -6.546 3.592
170 H SER 26 H SER 26 0.812 -8.460 1.965
171 HA SER 26 HA SER 26 2.142 -6.222 2.610
172 HB2 SER 26 1HB SER 26 4.215 -7.265 1.699
173 HB3 SER 26 2HB SER 26 3.235 -8.390 2.639
174 HG SER 26 HG SER 26 4.052 -8.639 0.133
175 H HIS 27 H HIS 27 2.376 -7.450 -0.730
176 HA HIS 27 HA HIS 27 3.518 -5.301 -1.940
177 HB2 HIS 27 1HB HIS 27 1.416 -7.201 -2.965
178 HB3 HIS 27 2HB HIS 27 2.137 -5.970 -3.999
179 HD2 HIS 27 HD2 HIS 27 4.572 -7.727 -1.568
180 HE1 HIS 27 HE1 HIS 27 5.165 -9.386 -5.427
181 HE2 HIS 27 HE2 HIS 27 5.979 -9.318 -3.044
182 H LEU 28 H LEU 28 -0.013 -5.797 -1.760
183 HA LEU 28 HA LEU 28 -0.908 -3.477 -2.859
184 HB2 LEU 28 1HB LEU 28 -2.524 -5.031 -2.206
185 HB3 LEU 28 2HB LEU 28 -1.935 -5.081 -0.546
186 HG LEU 28 HG LEU 28 -2.892 -2.914 -0.091
187 HD11 LEU 28 1HD1 LEU 28 -2.711 -1.626 -1.990
188 HD12 LEU 28 2HD1 LEU 28 -4.435 -1.996 -1.979
189 HD13 LEU 28 3HD1 LEU 28 -3.348 -2.891 -3.041
190 HD21 LEU 28 3HD2 LEU 28 -5.340 -3.661 -1.123
191 HD22 LEU 28 1HD2 LEU 28 -4.660 -4.172 0.422
192 HD23 LEU 28 2HD2 LEU 28 -4.458 -5.184 -1.008
193 H VAL 29 H VAL 29 0.251 -3.919 0.456
194 HA VAL 29 HA VAL 29 -0.348 -1.355 1.421
195 HB VAL 29 HB VAL 29 1.914 -3.185 2.236
196 HG11 VAL 29 1HG1 VAL 29 2.377 -0.977 3.030
197 HG12 VAL 29 2HG1 VAL 29 0.716 -0.775 3.592
198 HG13 VAL 29 3HG1 VAL 29 1.784 -1.931 4.389
199 HG21 VAL 29 3HG2 VAL 29 -0.931 -2.918 3.179
200 HG22 VAL 29 1HG2 VAL 29 -0.127 -4.348 2.532
201 HG23 VAL 29 2HG2 VAL 29 0.320 -3.727 4.121
202 H GLN 30 H GLN 30 2.759 -2.614 0.196
203 HA GLN 30 HA GLN 30 4.221 -0.273 0.312
204 HB2 GLN 30 1HB GLN 30 4.399 -2.465 -1.762
205 HB3 GLN 30 2HB GLN 30 5.634 -1.249 -1.467
206 HG2 GLN 30 1HG GLN 30 4.741 -3.450 0.370
207 HG3 GLN 30 2HG GLN 30 6.322 -3.234 -0.380
208 HE21 GLN 30 1HE2 GLN 30 4.096 -1.947 2.007
209 HE22 GLN 30 2HE2 GLN 30 5.291 -1.147 2.965
210 H HIS 31 H HIS 31 1.713 -1.178 -1.894
211 HA HIS 31 HA HIS 31 2.371 0.841 -3.852
212 HB2 HIS 31 1HB HIS 31 1.312 -0.872 -4.942
213 HB3 HIS 31 2HB HIS 31 0.296 -1.268 -3.559
214 HD1 HIS 31 HD1 HIS 31 0.539 1.275 -6.352
215 HD2 HIS 31 HD2 HIS 31 -2.240 -0.252 -3.667
216 HE1 HIS 31 HE1 HIS 31 -1.672 2.252 -7.045
217 H HIS 32 H HIS 32 0.403 0.566 -1.014
218 HA HIS 32 HA HIS 32 -1.397 2.682 -1.521
219 HB2 HIS 32 1HB HIS 32 -0.483 1.214 0.916
220 HB3 HIS 32 2HB HIS 32 -1.385 2.713 1.123
221 HD2 HIS 32 HD2 HIS 32 -2.311 -0.727 1.368
222 HE1 HIS 32 HE1 HIS 32 -5.457 0.860 -0.995
223 HE2 HIS 32 HE2 HIS 32 -4.728 -1.031 0.500
224 H SER 33 H SER 33 1.890 2.769 -1.200
225 HA SER 33 HA SER 33 1.872 5.487 -0.065
226 HB2 SER 33 1HB SER 33 3.271 3.851 1.156
227 HB3 SER 33 2HB SER 33 4.198 3.562 -0.316
228 HG SER 33 HG SER 33 3.959 6.043 1.046
229 H VAL 34 H VAL 34 1.582 4.211 -2.937
230 HA VAL 34 HA VAL 34 3.715 5.585 -4.345
231 HB VAL 34 HB VAL 34 2.936 4.573 -6.319
232 HG11 VAL 34 1HG1 VAL 34 3.872 2.761 -5.358
233 HG12 VAL 34 2HG1 VAL 34 2.905 2.908 -3.889
234 HG13 VAL 34 3HG1 VAL 34 2.211 2.171 -5.333
235 HG21 VAL 34 3HG2 VAL 34 0.327 4.197 -4.865
236 HG22 VAL 34 1HG2 VAL 34 0.638 5.146 -6.320
237 HG23 VAL 34 2HG2 VAL 34 0.707 3.385 -6.384
238 H HIS 35 H HIS 35 0.353 6.055 -3.558
239 HA HIS 35 HA HIS 35 -0.057 8.183 -5.447
240 HB2 HIS 35 1HB HIS 35 -1.759 7.608 -3.026
241 HB3 HIS 35 2HB HIS 35 -2.242 8.372 -4.538
242 HD1 HIS 35 HD1 HIS 35 -1.687 6.524 -6.683
243 HD2 HIS 35 HD2 HIS 35 -2.748 5.109 -2.923
244 HE1 HIS 35 HE1 HIS 35 -2.545 4.190 -7.060
245 H SER 36 H SER 36 0.056 8.071 -1.882
246 HA SER 36 HA SER 36 0.186 10.888 -1.588
247 HB2 SER 36 1HB SER 36 0.724 10.411 0.767
248 HB3 SER 36 2HB SER 36 -0.626 9.423 0.210
249 HG SER 36 HG SER 36 0.780 8.094 1.305
250 H GLY 37 H GLY 37 1.889 11.341 -3.159
251 HA2 GLY 37 1HA GLY 37 4.302 12.051 -2.014
252 HA3 GLY 37 2HA GLY 37 4.565 10.465 -2.724
253 H GLU 38 H GLU 38 5.532 10.612 -4.627
254 HA GLU 38 HA GLU 38 5.696 12.962 -6.154
255 HB2 GLU 38 1HB GLU 38 7.390 11.264 -6.360
256 HB3 GLU 38 2HB GLU 38 6.206 10.080 -6.898
257 HG2 GLU 38 1HG GLU 38 7.374 10.759 -8.819
258 HG3 GLU 38 2HG GLU 38 5.804 11.557 -8.895
259 H ARG 39 H ARG 39 4.291 13.887 -7.482
260 HA ARG 39 HA ARG 39 1.709 13.049 -7.923
261 HB2 ARG 39 1HB ARG 39 2.693 15.337 -8.371
262 HB3 ARG 39 2HB ARG 39 3.289 14.696 -9.897
263 HG2 ARG 39 1HG ARG 39 0.923 14.119 -10.476
264 HG3 ARG 39 2HG ARG 39 0.426 15.004 -9.033
265 HD2 ARG 39 1HD ARG 39 1.296 17.045 -9.885
266 HD3 ARG 39 2HD ARG 39 2.116 16.216 -11.207
267 HE ARG 39 HE ARG 39 0.166 16.278 -12.392
268 HH11 ARG 39 1HH1 ARG 39 -0.550 16.799 -9.025
269 HH12 ARG 39 2HH1 ARG 39 -2.223 17.154 -9.302
270 HH21 ARG 39 1HH2 ARG 39 -2.034 16.744 -12.769
271 HH22 ARG 39 2HH2 ARG 39 -3.066 17.122 -11.431
272 HA PRO 40 HA PRO 40 2.016 9.725 -10.805
273 HB2 PRO 40 1HB PRO 40 -0.551 9.738 -11.689
274 HB3 PRO 40 2HB PRO 40 -0.086 9.127 -10.096
275 HG2 PRO 40 1HG PRO 40 -1.237 11.788 -10.843
276 HG3 PRO 40 2HG PRO 40 -1.645 10.736 -9.474
277 HD2 PRO 40 1HD PRO 40 -0.036 12.899 -9.221
278 HD3 PRO 40 2HD PRO 40 0.166 11.438 -8.233
279 H SER 41 H SER 41 1.696 9.255 -13.103
280 HA SER 41 HA SER 41 2.665 11.293 -14.764
281 HB2 SER 41 1HB SER 41 2.680 8.686 -15.048
282 HB3 SER 41 2HB SER 41 1.161 8.960 -15.900
283 HG SER 41 HG SER 41 3.739 9.522 -16.667
284 H GLY 42 H GLY 42 1.422 11.624 -17.010
285 HA2 GLY 42 1HA GLY 42 -1.226 11.780 -17.407
286 HA3 GLY 42 2HA GLY 42 -0.968 13.102 -16.279
287 HA PRO 43 HA PRO 43 1.371 14.127 -20.418
288 HB2 PRO 43 1HB PRO 43 0.473 12.769 -22.591
289 HB3 PRO 43 2HB PRO 43 1.819 12.205 -21.595
290 HG2 PRO 43 1HG PRO 43 -1.052 11.357 -21.557
291 HG3 PRO 43 2HG PRO 43 0.411 10.359 -21.458
292 HD2 PRO 43 1HD PRO 43 -1.050 11.023 -19.277
293 HD3 PRO 43 2HD PRO 43 0.710 10.797 -19.215
294 H SER 44 H SER 44 0.587 15.209 -22.494
295 HA SER 44 HA SER 44 -1.451 16.970 -21.988
296 HB2 SER 44 1HB SER 44 0.147 17.343 -23.783
297 HB3 SER 44 2HB SER 44 -0.499 15.970 -24.683
298 HG SER 44 HG SER 44 -1.991 18.279 -23.975
299 H SER 45 H SER 45 -3.622 17.122 -22.457
300 HA SER 45 HA SER 45 -5.098 14.697 -22.456
301 HB2 SER 45 1HB SER 45 -5.816 17.606 -22.598
302 HB3 SER 45 2HB SER 45 -7.053 16.385 -22.893
303 HG SER 45 HG SER 45 -6.645 17.191 -20.627
304 H GLY 46 H GLY 46 -6.387 13.773 -24.042
305 HA2 GLY 46 1HA GLY 46 -5.435 14.048 -26.720
306 HA3 GLY 46 2HA GLY 46 -6.755 13.019 -26.187
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -10.400 4.090 -23.509
2 HA2 GLY 1 1HA GLY 1 -9.779 2.515 -21.236
3 HA3 GLY 1 2HA GLY 1 -11.355 3.264 -21.030
4 H SER 2 H SER 2 -9.764 0.582 -22.165
5 HA SER 2 HA SER 2 -12.021 -0.135 -23.921
6 HB2 SER 2 1HB SER 2 -9.202 -1.232 -24.041
7 HB3 SER 2 2HB SER 2 -10.520 -1.595 -25.155
8 HG SER 2 HG SER 2 -9.570 -0.007 -26.210
9 H SER 3 H SER 3 -12.085 -2.683 -24.108
10 HA SER 3 HA SER 3 -13.210 -3.762 -21.922
11 HB2 SER 3 1HB SER 3 -12.926 -5.900 -22.869
12 HB3 SER 3 2HB SER 3 -12.859 -4.809 -24.253
13 HG SER 3 HG SER 3 -11.169 -6.440 -24.162
14 H GLY 4 H GLY 4 -12.647 -4.515 -19.964
15 HA2 GLY 4 1HA GLY 4 -9.894 -4.157 -19.117
16 HA3 GLY 4 2HA GLY 4 -11.266 -4.529 -18.084
17 H SER 5 H SER 5 -9.862 -6.070 -17.039
18 HA SER 5 HA SER 5 -9.717 -8.602 -18.535
19 HB2 SER 5 1HB SER 5 -7.616 -9.140 -17.418
20 HB3 SER 5 2HB SER 5 -7.458 -7.608 -18.277
21 HG SER 5 HG SER 5 -6.986 -6.725 -16.443
22 H SER 6 H SER 6 -9.903 -10.522 -17.262
23 HA SER 6 HA SER 6 -10.639 -10.317 -14.480
24 HB2 SER 6 1HB SER 6 -12.684 -10.935 -16.607
25 HB3 SER 6 2HB SER 6 -12.877 -11.488 -14.944
26 HG SER 6 HG SER 6 -12.291 -8.790 -15.416
27 H GLY 7 H GLY 7 -9.903 -12.069 -13.474
28 HA2 GLY 7 1HA GLY 7 -9.520 -14.521 -15.079
29 HA3 GLY 7 2HA GLY 7 -8.421 -14.012 -13.805
30 H THR 8 H THR 8 -9.595 -16.553 -13.902
31 HA THR 8 HA THR 8 -11.916 -16.750 -12.290
32 HB THR 8 HB THR 8 -11.394 -18.630 -13.644
33 HG1 THR 8 HG1 THR 8 -11.964 -18.907 -11.214
34 HG21 THR 8 3HG2 THR 8 -9.130 -19.850 -12.620
35 HG22 THR 8 1HG2 THR 8 -8.688 -18.144 -12.696
36 HG23 THR 8 2HG2 THR 8 -9.242 -18.978 -14.148
37 H GLY 9 H GLY 9 -8.878 -15.706 -11.493
38 HA2 GLY 9 1HA GLY 9 -9.229 -16.552 -8.682
39 HA3 GLY 9 2HA GLY 9 -7.649 -16.378 -9.432
40 H GLU 10 H GLU 10 -10.359 -14.178 -9.882
41 HA GLU 10 HA GLU 10 -9.129 -11.814 -9.733
42 HB2 GLU 10 1HB GLU 10 -11.192 -10.859 -8.692
43 HB3 GLU 10 2HB GLU 10 -11.499 -11.901 -10.074
44 HG2 GLU 10 1HG GLU 10 -12.378 -13.597 -8.768
45 HG3 GLU 10 2HG GLU 10 -11.599 -13.006 -7.301
46 H LYS 11 H LYS 11 -8.015 -10.605 -8.329
47 HA LYS 11 HA LYS 11 -7.177 -11.682 -5.849
48 HB2 LYS 11 1HB LYS 11 -6.927 -8.823 -6.798
49 HB3 LYS 11 2HB LYS 11 -5.959 -9.607 -5.556
50 HG2 LYS 11 1HG LYS 11 -4.824 -10.933 -7.119
51 HG3 LYS 11 2HG LYS 11 -6.008 -10.601 -8.385
52 HD2 LYS 11 1HD LYS 11 -5.294 -8.229 -8.370
53 HD3 LYS 11 2HD LYS 11 -4.050 -8.641 -7.187
54 HE2 LYS 11 1HE LYS 11 -2.853 -8.748 -9.146
55 HE3 LYS 11 2HE LYS 11 -3.365 -10.426 -8.970
56 HZ1 LYS 11 3HZ LYS 11 -3.962 -10.055 -11.116
57 HZ2 LYS 11 1HZ LYS 11 -4.252 -8.404 -10.887
58 HZ3 LYS 11 2HZ LYS 11 -5.390 -9.542 -10.368
59 HA PRO 12 HA PRO 12 -10.482 -10.360 -3.235
60 HB2 PRO 12 1HB PRO 12 -9.212 -10.653 -0.854
61 HB3 PRO 12 2HB PRO 12 -9.801 -12.023 -1.803
62 HG2 PRO 12 1HG PRO 12 -7.031 -10.902 -1.611
63 HG3 PRO 12 2HG PRO 12 -7.555 -12.596 -1.614
64 HD2 PRO 12 1HD PRO 12 -6.555 -11.377 -3.815
65 HD3 PRO 12 2HD PRO 12 -7.786 -12.652 -3.906
66 H TYR 13 H TYR 13 -7.235 -9.011 -2.832
67 HA TYR 13 HA TYR 13 -8.306 -6.655 -1.495
68 HB2 TYR 13 1HB TYR 13 -5.428 -7.059 -2.274
69 HB3 TYR 13 2HB TYR 13 -6.085 -6.090 -0.960
70 HD1 TYR 13 HD2 TYR 13 -8.053 -8.405 -0.116
71 HD2 TYR 13 HD1 TYR 13 -3.858 -8.181 -0.790
72 HE1 TYR 13 HE2 TYR 13 -7.709 -10.279 1.440
73 HE2 TYR 13 HE1 TYR 13 -3.503 -10.055 0.763
74 HH TYR 13 HH TYR 13 -6.221 -11.550 2.492
75 H LYS 14 H LYS 14 -8.331 -4.613 -2.343
76 HA LYS 14 HA LYS 14 -7.164 -4.041 -4.919
77 HB2 LYS 14 1HB LYS 14 -9.031 -4.830 -5.977
78 HB3 LYS 14 2HB LYS 14 -10.068 -4.561 -4.582
79 HG2 LYS 14 1HG LYS 14 -10.042 -2.146 -5.059
80 HG3 LYS 14 2HG LYS 14 -9.068 -2.462 -6.496
81 HD2 LYS 14 1HD LYS 14 -11.614 -3.962 -6.181
82 HD3 LYS 14 2HD LYS 14 -11.710 -2.252 -6.608
83 HE2 LYS 14 1HE LYS 14 -10.416 -2.592 -8.577
84 HE3 LYS 14 2HE LYS 14 -9.998 -4.235 -8.093
85 HZ1 LYS 14 3HZ LYS 14 -12.825 -3.524 -8.450
86 HZ2 LYS 14 1HZ LYS 14 -12.062 -5.021 -8.644
87 HZ3 LYS 14 2HZ LYS 14 -11.875 -3.818 -9.818
88 H CYS 15 H CYS 15 -6.691 -1.922 -5.121
89 HA CYS 15 HA CYS 15 -6.943 -0.211 -2.892
90 HB2 CYS 15 1HB CYS 15 -5.283 -0.234 -4.980
91 HB3 CYS 15 2HB CYS 15 -6.436 0.950 -5.588
92 H GLN 16 H GLN 16 -7.824 2.097 -3.179
93 HA GLN 16 HA GLN 16 -10.489 1.950 -4.427
94 HB2 GLN 16 1HB GLN 16 -9.805 3.517 -1.940
95 HB3 GLN 16 2HB GLN 16 -11.402 3.231 -2.617
96 HG2 GLN 16 1HG GLN 16 -9.594 1.132 -1.440
97 HG3 GLN 16 2HG GLN 16 -10.988 1.861 -0.644
98 HE21 GLN 16 1HE2 GLN 16 -10.049 -0.855 -2.027
99 HE22 GLN 16 2HE2 GLN 16 -11.526 -1.398 -2.741
100 H VAL 17 H VAL 17 -7.681 3.914 -3.703
101 HA VAL 17 HA VAL 17 -8.678 6.344 -4.788
102 HB VAL 17 HB VAL 17 -6.309 7.065 -4.828
103 HG11 VAL 17 1HG1 VAL 17 -5.908 6.686 -2.334
104 HG12 VAL 17 2HG1 VAL 17 -7.415 7.477 -2.801
105 HG13 VAL 17 3HG1 VAL 17 -7.415 5.770 -2.354
106 HG21 VAL 17 3HG2 VAL 17 -5.891 4.168 -4.496
107 HG22 VAL 17 1HG2 VAL 17 -4.870 5.384 -5.263
108 HG23 VAL 17 2HG2 VAL 17 -4.863 5.206 -3.508
109 H CYS 18 H CYS 18 -6.759 3.683 -6.108
110 HA CYS 18 HA CYS 18 -7.062 4.880 -8.784
111 HB2 CYS 18 1HB CYS 18 -5.053 3.685 -9.454
112 HB3 CYS 18 2HB CYS 18 -4.714 4.665 -8.031
113 H GLY 19 H GLY 19 -7.546 2.067 -6.799
114 HA2 GLY 19 1HA GLY 19 -9.191 0.433 -7.218
115 HA3 GLY 19 2HA GLY 19 -9.193 0.902 -8.912
116 H LYS 20 H LYS 20 -6.149 0.386 -7.376
117 HA LYS 20 HA LYS 20 -5.368 -1.597 -9.216
118 HB2 LYS 20 1HB LYS 20 -4.211 -0.412 -6.743
119 HB3 LYS 20 2HB LYS 20 -3.538 -1.938 -7.302
120 HG2 LYS 20 1HG LYS 20 -3.840 0.377 -9.173
121 HG3 LYS 20 2HG LYS 20 -2.457 0.262 -8.082
122 HD2 LYS 20 1HD LYS 20 -3.209 -2.060 -9.815
123 HD3 LYS 20 2HD LYS 20 -2.279 -0.716 -10.484
124 HE2 LYS 20 1HE LYS 20 -0.684 -1.040 -8.541
125 HE3 LYS 20 2HE LYS 20 -1.532 -2.551 -8.218
126 HZ1 LYS 20 3HZ LYS 20 0.453 -1.996 -10.168
127 HZ2 LYS 20 1HZ LYS 20 -0.950 -2.584 -10.909
128 HZ3 LYS 20 2HZ LYS 20 -0.192 -3.486 -9.695
129 H ALA 21 H ALA 21 -4.266 -3.697 -8.209
130 HA ALA 21 HA ALA 21 -5.928 -4.958 -6.191
131 HB1 ALA 21 3HB ALA 21 -5.727 -6.283 -8.880
132 HB2 ALA 21 1HB ALA 21 -6.765 -6.710 -7.519
133 HB3 ALA 21 2HB ALA 21 -7.077 -5.237 -8.439
134 H PHE 22 H PHE 22 -4.865 -6.524 -5.083
135 HA PHE 22 HA PHE 22 -2.426 -7.674 -6.194
136 HB2 PHE 22 1HB PHE 22 -2.343 -6.486 -3.431
137 HB3 PHE 22 2HB PHE 22 -1.000 -6.986 -4.454
138 HD1 PHE 22 HD2 PHE 22 -3.740 -4.486 -4.231
139 HD2 PHE 22 HD1 PHE 22 0.125 -5.425 -5.746
140 HE1 PHE 22 HE2 PHE 22 -3.495 -2.172 -5.031
141 HE2 PHE 22 HE1 PHE 22 0.377 -3.113 -6.547
142 HZ PHE 22 HZ PHE 22 -1.435 -1.483 -6.191
143 H ARG 23 H ARG 23 -2.783 -9.784 -6.025
144 HA ARG 23 HA ARG 23 -4.623 -11.075 -4.444
145 HB2 ARG 23 1HB ARG 23 -3.127 -13.115 -4.741
146 HB3 ARG 23 2HB ARG 23 -3.652 -12.303 -6.210
147 HG2 ARG 23 1HG ARG 23 -1.559 -11.566 -6.719
148 HG3 ARG 23 2HG ARG 23 -1.057 -11.486 -5.029
149 HD2 ARG 23 1HD ARG 23 -1.367 -14.112 -5.203
150 HD3 ARG 23 2HD ARG 23 -1.068 -13.787 -6.910
151 HE ARG 23 HE ARG 23 0.841 -13.707 -4.785
152 HH11 ARG 23 1HH1 ARG 23 0.021 -12.373 -7.894
153 HH12 ARG 23 2HH1 ARG 23 1.656 -11.963 -8.295
154 HH21 ARG 23 1HH2 ARG 23 2.998 -13.173 -5.301
155 HH22 ARG 23 2HH2 ARG 23 3.349 -12.420 -6.820
156 H VAL 24 H VAL 24 -1.586 -9.754 -3.522
157 HA VAL 24 HA VAL 24 -1.755 -11.103 -0.907
158 HB VAL 24 HB VAL 24 0.570 -10.842 -0.617
159 HG11 VAL 24 1HG1 VAL 24 1.356 -11.562 -3.118
160 HG12 VAL 24 2HG1 VAL 24 0.634 -12.658 -1.938
161 HG13 VAL 24 3HG1 VAL 24 -0.371 -11.912 -3.181
162 HG21 VAL 24 3HG2 VAL 24 0.660 -9.133 -3.100
163 HG22 VAL 24 1HG2 VAL 24 0.671 -8.508 -1.450
164 HG23 VAL 24 2HG2 VAL 24 2.004 -9.511 -2.022
165 H SER 25 H SER 25 -1.386 -9.862 0.988
166 HA SER 25 HA SER 25 -2.523 -7.231 0.855
167 HB2 SER 25 1HB SER 25 -3.136 -8.572 2.737
168 HB3 SER 25 2HB SER 25 -1.450 -8.891 3.141
169 HG SER 25 HG SER 25 -2.608 -6.303 3.161
170 H SER 26 H SER 26 0.671 -8.585 1.496
171 HA SER 26 HA SER 26 2.006 -6.336 2.391
172 HB2 SER 26 1HB SER 26 3.201 -8.360 0.491
173 HB3 SER 26 2HB SER 26 4.040 -7.407 1.715
174 HG SER 26 HG SER 26 2.428 -9.670 2.006
175 H HIS 27 H HIS 27 2.249 -7.504 -0.967
176 HA HIS 27 HA HIS 27 3.391 -5.359 -2.155
177 HB2 HIS 27 1HB HIS 27 1.263 -7.230 -3.161
178 HB3 HIS 27 2HB HIS 27 1.900 -5.951 -4.192
179 HD2 HIS 27 HD2 HIS 27 4.451 -7.788 -1.923
180 HE1 HIS 27 HE1 HIS 27 4.967 -9.191 -5.893
181 HE2 HIS 27 HE2 HIS 27 5.842 -9.259 -3.532
182 H LEU 28 H LEU 28 -0.136 -5.762 -1.804
183 HA LEU 28 HA LEU 28 -0.980 -3.380 -2.877
184 HB2 LEU 28 1HB LEU 28 -2.656 -4.876 -2.295
185 HB3 LEU 28 2HB LEU 28 -2.036 -5.084 -0.658
186 HG LEU 28 HG LEU 28 -2.881 -2.900 -0.029
187 HD11 LEU 28 1HD1 LEU 28 -3.378 -2.677 -2.949
188 HD12 LEU 28 2HD1 LEU 28 -2.797 -1.470 -1.803
189 HD13 LEU 28 3HD1 LEU 28 -4.509 -1.892 -1.846
190 HD21 LEU 28 3HD2 LEU 28 -5.167 -4.169 -1.468
191 HD22 LEU 28 1HD2 LEU 28 -5.096 -3.497 0.161
192 HD23 LEU 28 2HD2 LEU 28 -4.343 -5.054 -0.184
193 H VAL 29 H VAL 29 0.240 -3.983 0.382
194 HA VAL 29 HA VAL 29 -0.313 -1.464 1.485
195 HB VAL 29 HB VAL 29 1.956 -3.346 2.152
196 HG11 VAL 29 1HG1 VAL 29 1.779 -2.183 4.402
197 HG12 VAL 29 2HG1 VAL 29 2.512 -1.256 3.092
198 HG13 VAL 29 3HG1 VAL 29 0.844 -0.940 3.572
199 HG21 VAL 29 3HG2 VAL 29 0.380 -4.680 2.976
200 HG22 VAL 29 1HG2 VAL 29 -0.045 -3.405 4.119
201 HG23 VAL 29 2HG2 VAL 29 -0.880 -3.514 2.569
202 H GLN 30 H GLN 30 2.738 -2.688 0.099
203 HA GLN 30 HA GLN 30 4.201 -0.335 0.285
204 HB2 GLN 30 1HB GLN 30 4.384 -2.497 -1.819
205 HB3 GLN 30 2HB GLN 30 5.609 -1.270 -1.524
206 HG2 GLN 30 1HG GLN 30 4.777 -3.532 0.261
207 HG3 GLN 30 2HG GLN 30 6.360 -3.219 -0.450
208 HE21 GLN 30 1HE2 GLN 30 4.034 -2.117 1.933
209 HE22 GLN 30 2HE2 GLN 30 5.171 -1.293 2.939
210 H HIS 31 H HIS 31 1.722 -1.255 -1.962
211 HA HIS 31 HA HIS 31 2.341 0.804 -3.880
212 HB2 HIS 31 1HB HIS 31 1.282 -0.906 -4.977
213 HB3 HIS 31 2HB HIS 31 0.268 -1.310 -3.594
214 HD1 HIS 31 HD1 HIS 31 0.484 1.137 -6.455
215 HD2 HIS 31 HD2 HIS 31 -2.239 -0.174 -3.604
216 HE1 HIS 31 HE1 HIS 31 -1.721 2.152 -7.114
217 H HIS 32 H HIS 32 0.391 0.488 -1.034
218 HA HIS 32 HA HIS 32 -1.421 2.600 -1.499
219 HB2 HIS 32 1HB HIS 32 -0.456 1.148 0.934
220 HB3 HIS 32 2HB HIS 32 -1.414 2.613 1.130
221 HD2 HIS 32 HD2 HIS 32 -2.227 -0.840 1.427
222 HE1 HIS 32 HE1 HIS 32 -5.396 0.581 -1.009
223 HE2 HIS 32 HE2 HIS 32 -4.621 -1.250 0.538
224 H SER 33 H SER 33 1.873 2.698 -1.196
225 HA SER 33 HA SER 33 1.845 5.415 -0.060
226 HB2 SER 33 1HB SER 33 4.099 3.403 -0.239
227 HB3 SER 33 2HB SER 33 4.283 5.055 0.349
228 HG SER 33 HG SER 33 3.081 4.580 2.104
229 H VAL 34 H VAL 34 1.516 4.190 -2.923
230 HA VAL 34 HA VAL 34 3.656 5.590 -4.320
231 HB VAL 34 HB VAL 34 2.970 4.515 -6.286
232 HG11 VAL 34 1HG1 VAL 34 3.980 2.845 -5.046
233 HG12 VAL 34 2HG1 VAL 34 2.667 2.781 -3.869
234 HG13 VAL 34 3HG1 VAL 34 2.440 2.103 -5.482
235 HG21 VAL 34 3HG2 VAL 34 0.329 4.632 -5.046
236 HG22 VAL 34 1HG2 VAL 34 0.785 4.650 -6.750
237 HG23 VAL 34 2HG2 VAL 34 0.644 3.116 -5.890
238 H HIS 35 H HIS 35 0.494 6.180 -3.239
239 HA HIS 35 HA HIS 35 -0.026 8.228 -5.257
240 HB2 HIS 35 1HB HIS 35 -1.801 7.520 -2.925
241 HB3 HIS 35 2HB HIS 35 -2.250 8.318 -4.429
242 HD1 HIS 35 HD1 HIS 35 -1.639 6.594 -6.622
243 HD2 HIS 35 HD2 HIS 35 -2.619 4.957 -2.931
244 HE1 HIS 35 HE1 HIS 35 -2.380 4.240 -7.106
245 H SER 36 H SER 36 0.267 7.930 -1.726
246 HA SER 36 HA SER 36 0.429 9.568 -0.109
247 HB2 SER 36 1HB SER 36 2.591 10.588 -1.957
248 HB3 SER 36 2HB SER 36 2.550 10.666 -0.196
249 HG SER 36 HG SER 36 3.770 8.878 -1.481
250 H GLY 37 H GLY 37 -1.649 10.257 -1.784
251 HA2 GLY 37 1HA GLY 37 -2.908 12.299 -1.616
252 HA3 GLY 37 2HA GLY 37 -1.403 13.192 -1.778
253 H GLU 38 H GLU 38 -1.838 14.419 -3.538
254 HA GLU 38 HA GLU 38 -2.596 14.941 -5.664
255 HB2 GLU 38 1HB GLU 38 -1.125 13.960 -7.356
256 HB3 GLU 38 2HB GLU 38 -0.222 14.415 -5.919
257 HG2 GLU 38 1HG GLU 38 0.020 12.178 -5.235
258 HG3 GLU 38 2HG GLU 38 -1.198 11.616 -6.378
259 H ARG 39 H ARG 39 -4.342 13.044 -4.389
260 HA ARG 39 HA ARG 39 -5.013 11.066 -6.395
261 HB2 ARG 39 1HB ARG 39 -6.916 10.562 -4.817
262 HB3 ARG 39 2HB ARG 39 -5.305 10.358 -4.143
263 HG2 ARG 39 1HG ARG 39 -5.473 12.360 -2.893
264 HG3 ARG 39 2HG ARG 39 -6.932 12.853 -3.754
265 HD2 ARG 39 1HD ARG 39 -6.929 10.271 -2.263
266 HD3 ARG 39 2HD ARG 39 -7.071 11.779 -1.361
267 HE ARG 39 HE ARG 39 -9.044 10.604 -3.122
268 HH11 ARG 39 1HH1 ARG 39 -7.977 13.447 -1.420
269 HH12 ARG 39 2HH1 ARG 39 -9.539 14.197 -1.428
270 HH21 ARG 39 1HH2 ARG 39 -11.105 11.581 -3.140
271 HH22 ARG 39 2HH2 ARG 39 -11.317 13.135 -2.406
272 HA PRO 40 HA PRO 40 -7.863 13.550 -8.648
273 HB2 PRO 40 1HB PRO 40 -9.407 11.583 -9.705
274 HB3 PRO 40 2HB PRO 40 -7.767 11.924 -10.269
275 HG2 PRO 40 1HG PRO 40 -8.719 9.803 -8.382
276 HG3 PRO 40 2HG PRO 40 -7.543 9.679 -9.704
277 HD2 PRO 40 1HD PRO 40 -6.801 9.903 -7.109
278 HD3 PRO 40 2HD PRO 40 -5.838 10.579 -8.439
279 H SER 41 H SER 41 -10.016 14.280 -8.634
280 HA SER 41 HA SER 41 -11.594 13.344 -6.329
281 HB2 SER 41 1HB SER 41 -11.649 16.075 -7.636
282 HB3 SER 41 2HB SER 41 -12.531 15.590 -6.188
283 HG SER 41 HG SER 41 -9.898 16.315 -6.488
284 H GLY 42 H GLY 42 -11.678 12.161 -8.969
285 HA2 GLY 42 1HA GLY 42 -13.214 11.444 -10.517
286 HA3 GLY 42 2HA GLY 42 -14.422 11.853 -9.308
287 HA PRO 43 HA PRO 43 -13.903 15.849 -11.968
288 HB2 PRO 43 1HB PRO 43 -12.260 15.695 -14.124
289 HB3 PRO 43 2HB PRO 43 -11.699 16.186 -12.521
290 HG2 PRO 43 1HG PRO 43 -11.492 13.520 -13.867
291 HG3 PRO 43 2HG PRO 43 -10.274 14.391 -12.918
292 HD2 PRO 43 1HD PRO 43 -11.745 12.365 -11.889
293 HD3 PRO 43 2HD PRO 43 -11.187 13.735 -10.907
294 H SER 44 H SER 44 -14.462 12.707 -12.952
295 HA SER 44 HA SER 44 -15.162 12.570 -15.525
296 HB2 SER 44 1HB SER 44 -15.689 10.702 -14.171
297 HB3 SER 44 2HB SER 44 -16.740 11.656 -13.124
298 HG SER 44 HG SER 44 -17.343 11.417 -15.856
299 H SER 45 H SER 45 -17.213 14.108 -13.056
300 HA SER 45 HA SER 45 -19.073 15.081 -15.025
301 HB2 SER 45 1HB SER 45 -20.108 16.254 -13.071
302 HB3 SER 45 2HB SER 45 -19.927 14.516 -12.835
303 HG SER 45 HG SER 45 -19.102 15.304 -11.011
304 H GLY 46 H GLY 46 -16.805 16.650 -12.759
305 HA2 GLY 46 1HA GLY 46 -17.031 19.260 -13.322
306 HA3 GLY 46 2HA GLY 46 -15.456 18.504 -13.138
Start of MODEL 16
1 H1 GLY 1 H GLY 1 6.018 -6.616 -30.752
2 HA2 GLY 1 1HA GLY 1 3.502 -6.326 -30.950
3 HA3 GLY 1 2HA GLY 1 3.609 -7.627 -32.127
4 H SER 2 H SER 2 3.105 -6.866 -28.903
5 HA SER 2 HA SER 2 3.111 -9.695 -28.196
6 HB2 SER 2 1HB SER 2 4.770 -7.585 -26.853
7 HB3 SER 2 2HB SER 2 4.150 -8.945 -25.917
8 HG SER 2 HG SER 2 6.272 -8.884 -27.501
9 H SER 3 H SER 3 1.452 -10.255 -26.895
10 HA SER 3 HA SER 3 0.025 -8.185 -25.407
11 HB2 SER 3 1HB SER 3 -1.290 -9.991 -27.451
12 HB3 SER 3 2HB SER 3 -2.160 -8.970 -26.307
13 HG SER 3 HG SER 3 -1.949 -7.468 -27.750
14 H GLY 4 H GLY 4 -1.909 -9.329 -24.204
15 HA2 GLY 4 1HA GLY 4 -1.644 -12.076 -23.547
16 HA3 GLY 4 2HA GLY 4 -0.826 -11.088 -22.346
17 H SER 5 H SER 5 -3.027 -12.753 -21.786
18 HA SER 5 HA SER 5 -5.276 -10.907 -21.455
19 HB2 SER 5 1HB SER 5 -6.581 -12.889 -20.849
20 HB3 SER 5 2HB SER 5 -5.758 -13.143 -22.388
21 HG SER 5 HG SER 5 -4.770 -14.032 -19.881
22 H SER 6 H SER 6 -5.303 -9.744 -19.659
23 HA SER 6 HA SER 6 -3.937 -10.708 -17.270
24 HB2 SER 6 1HB SER 6 -5.209 -8.035 -17.907
25 HB3 SER 6 2HB SER 6 -4.377 -8.413 -16.399
26 HG SER 6 HG SER 6 -2.586 -7.981 -17.384
27 H GLY 7 H GLY 7 -4.931 -11.377 -15.454
28 HA2 GLY 7 1HA GLY 7 -7.092 -10.823 -14.119
29 HA3 GLY 7 2HA GLY 7 -7.864 -11.531 -15.530
30 H THR 8 H THR 8 -7.547 -13.767 -15.971
31 HA THR 8 HA THR 8 -7.756 -15.924 -15.197
32 HB THR 8 HB THR 8 -5.369 -15.730 -15.851
33 HG1 THR 8 HG1 THR 8 -4.757 -17.628 -14.747
34 HG21 THR 8 3HG2 THR 8 -4.347 -14.220 -14.431
35 HG22 THR 8 1HG2 THR 8 -3.791 -15.755 -13.765
36 HG23 THR 8 2HG2 THR 8 -5.119 -14.888 -12.993
37 H GLY 9 H GLY 9 -8.964 -14.154 -13.390
38 HA2 GLY 9 1HA GLY 9 -9.908 -15.210 -11.315
39 HA3 GLY 9 2HA GLY 9 -8.237 -15.353 -10.788
40 H GLU 10 H GLU 10 -10.672 -13.868 -9.749
41 HA GLU 10 HA GLU 10 -9.774 -11.101 -9.889
42 HB2 GLU 10 1HB GLU 10 -12.171 -12.401 -8.592
43 HB3 GLU 10 2HB GLU 10 -11.810 -10.686 -8.460
44 HG2 GLU 10 1HG GLU 10 -11.942 -10.493 -10.909
45 HG3 GLU 10 2HG GLU 10 -12.378 -12.198 -10.999
46 H LYS 11 H LYS 11 -8.614 -10.112 -8.364
47 HA LYS 11 HA LYS 11 -7.622 -11.630 -6.132
48 HB2 LYS 11 1HB LYS 11 -7.147 -8.810 -7.090
49 HB3 LYS 11 2HB LYS 11 -6.420 -9.443 -5.619
50 HG2 LYS 11 1HG LYS 11 -4.987 -10.807 -6.744
51 HG3 LYS 11 2HG LYS 11 -6.077 -11.005 -8.118
52 HD2 LYS 11 1HD LYS 11 -5.612 -8.526 -8.592
53 HD3 LYS 11 2HD LYS 11 -4.254 -8.705 -7.479
54 HE2 LYS 11 1HE LYS 11 -4.559 -10.710 -9.652
55 HE3 LYS 11 2HE LYS 11 -3.995 -9.098 -10.087
56 HZ1 LYS 11 3HZ LYS 11 -2.441 -11.125 -9.166
57 HZ2 LYS 11 1HZ LYS 11 -2.657 -10.167 -7.788
58 HZ3 LYS 11 2HZ LYS 11 -2.008 -9.490 -9.195
59 HA PRO 12 HA PRO 12 -10.527 -10.349 -3.085
60 HB2 PRO 12 1HB PRO 12 -8.993 -10.631 -0.863
61 HB3 PRO 12 2HB PRO 12 -9.647 -12.007 -1.760
62 HG2 PRO 12 1HG PRO 12 -6.904 -10.811 -1.860
63 HG3 PRO 12 2HG PRO 12 -7.380 -12.519 -1.828
64 HD2 PRO 12 1HD PRO 12 -6.662 -11.249 -4.109
65 HD3 PRO 12 2HD PRO 12 -7.862 -12.557 -4.081
66 H TYR 13 H TYR 13 -7.261 -8.966 -2.855
67 HA TYR 13 HA TYR 13 -8.336 -6.591 -1.540
68 HB2 TYR 13 1HB TYR 13 -5.445 -6.880 -2.239
69 HB3 TYR 13 2HB TYR 13 -6.187 -6.115 -0.838
70 HD1 TYR 13 HD2 TYR 13 -8.011 -8.506 -0.154
71 HD2 TYR 13 HD1 TYR 13 -3.859 -8.199 -1.029
72 HE1 TYR 13 HE2 TYR 13 -7.587 -10.529 1.179
73 HE2 TYR 13 HE1 TYR 13 -3.423 -10.222 0.300
74 HH TYR 13 HH TYR 13 -4.615 -12.192 1.098
75 H LYS 14 H LYS 14 -8.540 -4.649 -2.495
76 HA LYS 14 HA LYS 14 -7.229 -4.096 -5.027
77 HB2 LYS 14 1HB LYS 14 -9.233 -5.160 -5.821
78 HB3 LYS 14 2HB LYS 14 -10.232 -4.211 -4.728
79 HG2 LYS 14 1HG LYS 14 -9.173 -2.197 -6.058
80 HG3 LYS 14 2HG LYS 14 -8.960 -3.436 -7.297
81 HD2 LYS 14 1HD LYS 14 -11.484 -3.956 -6.692
82 HD3 LYS 14 2HD LYS 14 -11.456 -2.268 -6.177
83 HE2 LYS 14 1HE LYS 14 -12.179 -2.350 -8.460
84 HE3 LYS 14 2HE LYS 14 -10.555 -1.666 -8.416
85 HZ1 LYS 14 3HZ LYS 14 -10.266 -4.411 -8.692
86 HZ2 LYS 14 1HZ LYS 14 -9.945 -3.219 -9.849
87 HZ3 LYS 14 2HZ LYS 14 -11.468 -3.951 -9.790
88 H CYS 15 H CYS 15 -6.557 -2.054 -5.054
89 HA CYS 15 HA CYS 15 -6.892 -0.284 -2.946
90 HB2 CYS 15 1HB CYS 15 -5.261 -0.328 -5.064
91 HB3 CYS 15 2HB CYS 15 -6.415 0.866 -5.648
92 H GLN 16 H GLN 16 -7.798 1.998 -3.199
93 HA GLN 16 HA GLN 16 -10.468 1.847 -4.437
94 HB2 GLN 16 1HB GLN 16 -9.753 3.415 -1.958
95 HB3 GLN 16 2HB GLN 16 -11.358 3.153 -2.626
96 HG2 GLN 16 1HG GLN 16 -9.653 0.871 -1.700
97 HG3 GLN 16 2HG GLN 16 -10.667 1.786 -0.586
98 HE21 GLN 16 1HE2 GLN 16 -10.537 -0.766 -2.755
99 HE22 GLN 16 2HE2 GLN 16 -12.230 -1.089 -2.876
100 H VAL 17 H VAL 17 -7.658 3.822 -3.752
101 HA VAL 17 HA VAL 17 -8.672 6.243 -4.841
102 HB VAL 17 HB VAL 17 -6.290 6.955 -4.923
103 HG11 VAL 17 1HG1 VAL 17 -7.427 7.413 -2.911
104 HG12 VAL 17 2HG1 VAL 17 -7.375 5.724 -2.404
105 HG13 VAL 17 3HG1 VAL 17 -5.895 6.684 -2.431
106 HG21 VAL 17 3HG2 VAL 17 -4.861 5.252 -5.306
107 HG22 VAL 17 1HG2 VAL 17 -4.865 5.119 -3.548
108 HG23 VAL 17 2HG2 VAL 17 -5.897 4.064 -4.513
109 H CYS 18 H CYS 18 -6.714 3.603 -6.159
110 HA CYS 18 HA CYS 18 -7.055 4.777 -8.840
111 HB2 CYS 18 1HB CYS 18 -5.054 3.555 -9.515
112 HB3 CYS 18 2HB CYS 18 -4.704 4.577 -8.124
113 H GLY 19 H GLY 19 -7.423 1.917 -6.865
114 HA2 GLY 19 1HA GLY 19 -9.115 0.304 -7.264
115 HA3 GLY 19 2HA GLY 19 -9.109 0.756 -8.962
116 H LYS 20 H LYS 20 -6.069 0.266 -7.414
117 HA LYS 20 HA LYS 20 -5.285 -1.743 -9.228
118 HB2 LYS 20 1HB LYS 20 -4.123 -0.495 -6.793
119 HB3 LYS 20 2HB LYS 20 -3.451 -2.039 -7.301
120 HG2 LYS 20 1HG LYS 20 -3.761 0.153 -9.298
121 HG3 LYS 20 2HG LYS 20 -2.418 0.193 -8.154
122 HD2 LYS 20 1HD LYS 20 -2.165 -2.327 -8.958
123 HD3 LYS 20 2HD LYS 20 -2.959 -1.680 -10.396
124 HE2 LYS 20 1HE LYS 20 -1.132 0.220 -10.076
125 HE3 LYS 20 2HE LYS 20 -0.273 -1.093 -9.271
126 HZ1 LYS 20 3HZ LYS 20 -0.625 -2.437 -11.297
127 HZ2 LYS 20 1HZ LYS 20 0.330 -1.067 -11.567
128 HZ3 LYS 20 2HZ LYS 20 -1.288 -1.081 -12.060
129 H ALA 21 H ALA 21 -4.156 -3.812 -8.167
130 HA ALA 21 HA ALA 21 -5.822 -5.047 -6.134
131 HB1 ALA 21 3HB ALA 21 -6.987 -5.410 -8.328
132 HB2 ALA 21 1HB ALA 21 -5.592 -6.366 -8.831
133 HB3 ALA 21 2HB ALA 21 -6.565 -6.881 -7.452
134 H PHE 22 H PHE 22 -4.776 -6.623 -5.008
135 HA PHE 22 HA PHE 22 -2.315 -7.767 -6.058
136 HB2 PHE 22 1HB PHE 22 -2.221 -6.510 -3.331
137 HB3 PHE 22 2HB PHE 22 -0.885 -6.994 -4.371
138 HD1 PHE 22 HD2 PHE 22 -3.778 -4.638 -4.384
139 HD2 PHE 22 HD1 PHE 22 0.281 -5.343 -5.452
140 HE1 PHE 22 HE2 PHE 22 -3.601 -2.331 -5.220
141 HE2 PHE 22 HE1 PHE 22 0.465 -3.037 -6.289
142 HZ PHE 22 HZ PHE 22 -1.478 -1.528 -6.175
143 H ARG 23 H ARG 23 -2.811 -9.860 -5.876
144 HA ARG 23 HA ARG 23 -4.594 -11.079 -4.194
145 HB2 ARG 23 1HB ARG 23 -2.957 -13.119 -4.450
146 HB3 ARG 23 2HB ARG 23 -3.826 -12.490 -5.844
147 HG2 ARG 23 1HG ARG 23 -1.947 -11.629 -6.805
148 HG3 ARG 23 2HG ARG 23 -1.140 -11.373 -5.257
149 HD2 ARG 23 1HD ARG 23 0.066 -13.151 -6.034
150 HD3 ARG 23 2HD ARG 23 -1.215 -14.008 -5.177
151 HE ARG 23 HE ARG 23 -2.148 -13.707 -7.735
152 HH11 ARG 23 1HH1 ARG 23 0.665 -15.132 -6.260
153 HH12 ARG 23 2HH1 ARG 23 0.859 -16.338 -7.488
154 HH21 ARG 23 1HH2 ARG 23 -1.903 -15.291 -9.359
155 HH22 ARG 23 2HH2 ARG 23 -0.601 -16.427 -9.251
156 H VAL 24 H VAL 24 -1.543 -9.754 -3.386
157 HA VAL 24 HA VAL 24 -1.601 -11.093 -0.762
158 HB VAL 24 HB VAL 24 0.736 -10.737 -0.544
159 HG11 VAL 24 1HG1 VAL 24 1.498 -11.610 -2.958
160 HG12 VAL 24 2HG1 VAL 24 0.683 -12.637 -1.777
161 HG13 VAL 24 3HG1 VAL 24 -0.238 -11.893 -3.085
162 HG21 VAL 24 3HG2 VAL 24 0.728 -9.190 -3.130
163 HG22 VAL 24 1HG2 VAL 24 0.696 -8.438 -1.534
164 HG23 VAL 24 2HG2 VAL 24 2.077 -9.422 -2.018
165 H SER 25 H SER 25 -1.139 -9.830 1.114
166 HA SER 25 HA SER 25 -2.323 -7.206 0.994
167 HB2 SER 25 1HB SER 25 -2.920 -8.580 2.871
168 HB3 SER 25 2HB SER 25 -1.226 -8.849 3.284
169 HG SER 25 HG SER 25 -2.208 -6.225 3.193
170 H SER 26 H SER 26 0.866 -8.566 1.677
171 HA SER 26 HA SER 26 2.198 -6.303 2.539
172 HB2 SER 26 1HB SER 26 3.363 -8.420 0.717
173 HB3 SER 26 2HB SER 26 4.246 -7.384 1.839
174 HG SER 26 HG SER 26 3.235 -8.438 3.549
175 H HIS 27 H HIS 27 2.197 -7.525 -0.815
176 HA HIS 27 HA HIS 27 3.455 -5.426 -2.049
177 HB2 HIS 27 1HB HIS 27 1.182 -7.130 -3.079
178 HB3 HIS 27 2HB HIS 27 2.131 -6.047 -4.093
179 HD2 HIS 27 HD2 HIS 27 4.463 -7.758 -1.671
180 HE1 HIS 27 HE1 HIS 27 4.447 -10.154 -5.172
181 HE2 HIS 27 HE2 HIS 27 5.528 -9.749 -2.934
182 H LEU 28 H LEU 28 -0.086 -5.779 -1.766
183 HA LEU 28 HA LEU 28 -0.911 -3.417 -2.838
184 HB2 LEU 28 1HB LEU 28 -2.555 -4.943 -2.142
185 HB3 LEU 28 2HB LEU 28 -1.954 -4.961 -0.486
186 HG LEU 28 HG LEU 28 -2.845 -2.753 -0.091
187 HD11 LEU 28 1HD1 LEU 28 -2.566 -1.623 -2.128
188 HD12 LEU 28 2HD1 LEU 28 -4.312 -1.744 -1.908
189 HD13 LEU 28 3HD1 LEU 28 -3.487 -2.832 -3.023
190 HD21 LEU 28 3HD2 LEU 28 -5.295 -3.599 -1.221
191 HD22 LEU 28 1HD2 LEU 28 -4.739 -3.774 0.444
192 HD23 LEU 28 2HD2 LEU 28 -4.410 -5.045 -0.734
193 H VAL 29 H VAL 29 0.363 -3.928 0.417
194 HA VAL 29 HA VAL 29 -0.135 -1.373 1.453
195 HB VAL 29 HB VAL 29 2.167 -3.213 2.120
196 HG11 VAL 29 1HG1 VAL 29 1.074 -0.739 3.389
197 HG12 VAL 29 2HG1 VAL 29 1.812 -1.989 4.393
198 HG13 VAL 29 3HG1 VAL 29 2.750 -1.214 3.116
199 HG21 VAL 29 3HG2 VAL 29 -0.653 -3.474 2.551
200 HG22 VAL 29 1HG2 VAL 29 0.648 -4.580 2.991
201 HG23 VAL 29 2HG2 VAL 29 0.169 -3.295 4.100
202 H GLN 30 H GLN 30 2.895 -2.656 0.070
203 HA GLN 30 HA GLN 30 4.382 -0.326 0.136
204 HB2 GLN 30 1HB GLN 30 4.455 -2.517 -1.946
205 HB3 GLN 30 2HB GLN 30 5.709 -1.308 -1.707
206 HG2 GLN 30 1HG GLN 30 4.911 -3.553 0.109
207 HG3 GLN 30 2HG GLN 30 6.481 -3.235 -0.628
208 HE21 GLN 30 1HE2 GLN 30 4.210 -2.204 1.827
209 HE22 GLN 30 2HE2 GLN 30 5.355 -1.354 2.802
210 H HIS 31 H HIS 31 1.809 -1.236 -2.009
211 HA HIS 31 HA HIS 31 2.392 0.854 -3.926
212 HB2 HIS 31 1HB HIS 31 1.417 -0.882 -5.063
213 HB3 HIS 31 2HB HIS 31 0.404 -1.349 -3.700
214 HD1 HIS 31 HD1 HIS 31 0.542 1.093 -6.559
215 HD2 HIS 31 HD2 HIS 31 -2.132 -0.249 -3.677
216 HE1 HIS 31 HE1 HIS 31 -1.689 2.048 -7.217
217 H HIS 32 H HIS 32 0.515 0.440 -1.064
218 HA HIS 32 HA HIS 32 -1.421 2.454 -1.504
219 HB2 HIS 32 1HB HIS 32 -0.410 0.940 0.848
220 HB3 HIS 32 2HB HIS 32 -1.283 2.436 1.166
221 HD2 HIS 32 HD2 HIS 32 -2.225 -1.017 1.270
222 HE1 HIS 32 HE1 HIS 32 -5.483 0.732 -0.810
223 HE2 HIS 32 HE2 HIS 32 -4.691 -1.252 0.525
224 H SER 33 H SER 33 1.854 2.730 -1.283
225 HA SER 33 HA SER 33 1.722 5.409 -0.069
226 HB2 SER 33 1HB SER 33 4.048 3.500 -0.380
227 HB3 SER 33 2HB SER 33 4.213 5.162 0.186
228 HG SER 33 HG SER 33 2.317 3.585 1.465
229 H VAL 34 H VAL 34 1.453 4.142 -2.975
230 HA VAL 34 HA VAL 34 3.430 5.671 -4.426
231 HB VAL 34 HB VAL 34 2.609 4.686 -6.388
232 HG11 VAL 34 1HG1 VAL 34 1.856 2.268 -5.233
233 HG12 VAL 34 2HG1 VAL 34 3.487 2.764 -5.690
234 HG13 VAL 34 3HG1 VAL 34 2.912 3.029 -4.044
235 HG21 VAL 34 3HG2 VAL 34 0.066 4.092 -4.880
236 HG22 VAL 34 1HG2 VAL 34 0.277 5.264 -6.180
237 HG23 VAL 34 2HG2 VAL 34 0.417 3.539 -6.517
238 H HIS 35 H HIS 35 0.274 6.177 -3.208
239 HA HIS 35 HA HIS 35 -0.230 8.403 -5.043
240 HB2 HIS 35 1HB HIS 35 -2.103 7.527 -2.863
241 HB3 HIS 35 2HB HIS 35 -2.478 8.331 -4.385
242 HD1 HIS 35 HD1 HIS 35 -1.845 6.693 -6.572
243 HD2 HIS 35 HD2 HIS 35 -2.697 4.899 -2.924
244 HE1 HIS 35 HE1 HIS 35 -2.455 4.316 -7.119
245 H SER 36 H SER 36 1.881 8.564 -3.076
246 HA SER 36 HA SER 36 1.157 11.083 -1.894
247 HB2 SER 36 1HB SER 36 0.292 9.802 -0.103
248 HB3 SER 36 2HB SER 36 1.628 8.653 -0.172
249 HG SER 36 HG SER 36 1.625 10.369 1.538
250 H GLY 37 H GLY 37 2.863 12.354 -2.160
251 HA2 GLY 37 1HA GLY 37 5.279 12.511 -1.325
252 HA3 GLY 37 2HA GLY 37 5.523 11.097 -2.339
253 H GLU 38 H GLU 38 7.136 13.073 -2.920
254 HA GLU 38 HA GLU 38 5.925 14.453 -5.225
255 HB2 GLU 38 1HB GLU 38 6.754 15.964 -3.448
256 HB3 GLU 38 2HB GLU 38 8.360 15.273 -3.632
257 HG2 GLU 38 1HG GLU 38 8.482 17.225 -4.859
258 HG3 GLU 38 2HG GLU 38 8.164 16.002 -6.088
259 H ARG 39 H ARG 39 6.324 13.094 -6.892
260 HA ARG 39 HA ARG 39 9.147 12.520 -7.473
261 HB2 ARG 39 1HB ARG 39 6.824 10.604 -7.707
262 HB3 ARG 39 2HB ARG 39 8.398 10.323 -8.440
263 HG2 ARG 39 1HG ARG 39 9.440 10.016 -6.394
264 HG3 ARG 39 2HG ARG 39 8.168 10.858 -5.509
265 HD2 ARG 39 1HD ARG 39 6.628 9.018 -5.963
266 HD3 ARG 39 2HD ARG 39 7.888 8.181 -6.870
267 HE ARG 39 HE ARG 39 9.012 8.567 -4.435
268 HH11 ARG 39 1HH1 ARG 39 6.010 7.169 -5.508
269 HH12 ARG 39 2HH1 ARG 39 5.908 6.051 -4.187
270 HH21 ARG 39 1HH2 ARG 39 8.889 7.101 -2.692
271 HH22 ARG 39 2HH2 ARG 39 7.545 6.015 -2.586
272 HA PRO 40 HA PRO 40 8.234 14.315 -11.389
273 HB2 PRO 40 1HB PRO 40 10.283 13.260 -12.825
274 HB3 PRO 40 2HB PRO 40 10.506 14.552 -11.639
275 HG2 PRO 40 1HG PRO 40 10.977 11.610 -11.347
276 HG3 PRO 40 2HG PRO 40 11.978 12.963 -10.791
277 HD2 PRO 40 1HD PRO 40 10.322 11.600 -9.138
278 HD3 PRO 40 2HD PRO 40 10.671 13.328 -8.927
279 H SER 41 H SER 41 6.647 13.714 -12.710
280 HA SER 41 HA SER 41 6.048 10.959 -13.217
281 HB2 SER 41 1HB SER 41 4.854 13.423 -14.509
282 HB3 SER 41 2HB SER 41 4.161 11.801 -14.502
283 HG SER 41 HG SER 41 3.162 12.718 -12.833
284 H GLY 42 H GLY 42 6.650 13.644 -15.496
285 HA2 GLY 42 1HA GLY 42 8.323 13.540 -17.210
286 HA3 GLY 42 2HA GLY 42 8.236 11.786 -17.137
287 HA PRO 43 HA PRO 43 5.786 12.093 -20.799
288 HB2 PRO 43 1HB PRO 43 4.987 9.500 -20.899
289 HB3 PRO 43 2HB PRO 43 6.619 10.020 -21.336
290 HG2 PRO 43 1HG PRO 43 5.636 8.817 -18.777
291 HG3 PRO 43 2HG PRO 43 7.119 8.463 -19.682
292 HD2 PRO 43 1HD PRO 43 7.094 10.055 -17.492
293 HD3 PRO 43 2HD PRO 43 8.222 10.303 -18.841
294 H SER 44 H SER 44 3.619 12.151 -21.417
295 HA SER 44 HA SER 44 1.684 11.806 -19.221
296 HB2 SER 44 1HB SER 44 1.742 13.833 -21.462
297 HB3 SER 44 2HB SER 44 0.335 13.571 -20.432
298 HG SER 44 HG SER 44 2.904 14.494 -19.683
299 H SER 45 H SER 45 0.953 9.771 -19.666
300 HA SER 45 HA SER 45 0.563 8.452 -21.984
301 HB2 SER 45 1HB SER 45 -0.026 7.723 -19.584
302 HB3 SER 45 2HB SER 45 -1.614 8.423 -19.899
303 HG SER 45 HG SER 45 -1.567 7.022 -21.849
304 H GLY 46 H GLY 46 -0.318 9.045 -23.846
305 HA2 GLY 46 1HA GLY 46 -2.188 9.508 -25.216
306 HA3 GLY 46 2HA GLY 46 -2.990 10.237 -23.833
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -4.556 -9.279 -28.252
2 HA2 GLY 1 1HA GLY 1 -5.725 -11.036 -30.031
3 HA3 GLY 1 2HA GLY 1 -4.751 -12.034 -28.963
4 H SER 2 H SER 2 -7.426 -9.750 -29.094
5 HA SER 2 HA SER 2 -8.240 -9.557 -26.516
6 HB2 SER 2 1HB SER 2 -9.742 -9.761 -29.089
7 HB3 SER 2 2HB SER 2 -10.657 -9.820 -27.583
8 HG SER 2 HG SER 2 -9.477 -7.837 -27.026
9 H SER 3 H SER 3 -8.954 -12.278 -28.687
10 HA SER 3 HA SER 3 -10.360 -13.775 -26.714
11 HB2 SER 3 1HB SER 3 -10.742 -14.126 -29.115
12 HB3 SER 3 2HB SER 3 -9.083 -14.697 -29.301
13 HG SER 3 HG SER 3 -10.861 -15.918 -27.482
14 H GLY 4 H GLY 4 -9.632 -15.151 -25.208
15 HA2 GLY 4 1HA GLY 4 -7.792 -16.959 -24.973
16 HA3 GLY 4 2HA GLY 4 -6.725 -15.565 -25.059
17 H SER 5 H SER 5 -7.784 -13.709 -23.501
18 HA SER 5 HA SER 5 -7.231 -14.621 -20.892
19 HB2 SER 5 1HB SER 5 -8.463 -12.060 -21.917
20 HB3 SER 5 2HB SER 5 -8.113 -12.338 -20.211
21 HG SER 5 HG SER 5 -6.451 -11.257 -21.603
22 H SER 6 H SER 6 -8.485 -15.887 -19.706
23 HA SER 6 HA SER 6 -11.405 -15.502 -19.843
24 HB2 SER 6 1HB SER 6 -9.766 -18.011 -19.548
25 HB3 SER 6 2HB SER 6 -11.450 -17.954 -19.028
26 HG SER 6 HG SER 6 -10.675 -17.131 -21.615
27 H GLY 7 H GLY 7 -9.905 -13.935 -18.136
28 HA2 GLY 7 1HA GLY 7 -10.164 -13.198 -15.954
29 HA3 GLY 7 2HA GLY 7 -11.064 -14.665 -15.600
30 H THR 8 H THR 8 -7.873 -13.238 -15.832
31 HA THR 8 HA THR 8 -6.296 -15.445 -15.223
32 HB THR 8 HB THR 8 -5.234 -13.405 -15.896
33 HG1 THR 8 HG1 THR 8 -3.571 -13.664 -14.576
34 HG21 THR 8 3HG2 THR 8 -6.552 -11.643 -15.171
35 HG22 THR 8 1HG2 THR 8 -5.157 -11.516 -14.101
36 HG23 THR 8 2HG2 THR 8 -6.649 -12.257 -13.521
37 H GLY 9 H GLY 9 -8.535 -13.753 -13.254
38 HA2 GLY 9 1HA GLY 9 -9.117 -15.184 -11.241
39 HA3 GLY 9 2HA GLY 9 -7.415 -15.017 -10.832
40 H GLU 10 H GLU 10 -10.226 -14.039 -9.792
41 HA GLU 10 HA GLU 10 -9.822 -11.184 -9.659
42 HB2 GLU 10 1HB GLU 10 -11.849 -11.181 -8.273
43 HB3 GLU 10 2HB GLU 10 -12.089 -12.076 -9.767
44 HG2 GLU 10 1HG GLU 10 -11.549 -14.160 -8.399
45 HG3 GLU 10 2HG GLU 10 -11.779 -13.136 -6.983
46 H LYS 11 H LYS 11 -8.741 -10.108 -8.144
47 HA LYS 11 HA LYS 11 -7.499 -11.575 -5.977
48 HB2 LYS 11 1HB LYS 11 -7.253 -8.730 -6.949
49 HB3 LYS 11 2HB LYS 11 -6.424 -9.320 -5.515
50 HG2 LYS 11 1HG LYS 11 -4.947 -10.570 -6.709
51 HG3 LYS 11 2HG LYS 11 -6.081 -10.849 -8.032
52 HD2 LYS 11 1HD LYS 11 -5.819 -8.400 -8.602
53 HD3 LYS 11 2HD LYS 11 -4.477 -8.366 -7.455
54 HE2 LYS 11 1HE LYS 11 -4.482 -10.488 -9.535
55 HE3 LYS 11 2HE LYS 11 -4.114 -8.840 -10.041
56 HZ1 LYS 11 3HZ LYS 11 -2.718 -10.232 -7.824
57 HZ2 LYS 11 1HZ LYS 11 -2.299 -8.751 -8.527
58 HZ3 LYS 11 2HZ LYS 11 -2.143 -10.183 -9.414
59 HA PRO 12 HA PRO 12 -10.451 -10.489 -2.892
60 HB2 PRO 12 1HB PRO 12 -8.888 -10.807 -0.695
61 HB3 PRO 12 2HB PRO 12 -9.519 -12.168 -1.630
62 HG2 PRO 12 1HG PRO 12 -6.806 -10.907 -1.717
63 HG3 PRO 12 2HG PRO 12 -7.242 -12.626 -1.735
64 HD2 PRO 12 1HD PRO 12 -6.577 -11.268 -3.982
65 HD3 PRO 12 2HD PRO 12 -7.747 -12.603 -3.984
66 H TYR 13 H TYR 13 -7.292 -8.933 -2.959
67 HA TYR 13 HA TYR 13 -8.403 -6.640 -1.492
68 HB2 TYR 13 1HB TYR 13 -5.489 -6.889 -2.114
69 HB3 TYR 13 2HB TYR 13 -6.277 -6.128 -0.736
70 HD1 TYR 13 HD2 TYR 13 -8.077 -8.465 0.007
71 HD2 TYR 13 HD1 TYR 13 -3.938 -8.258 -0.959
72 HE1 TYR 13 HE2 TYR 13 -7.667 -10.480 1.357
73 HE2 TYR 13 HE1 TYR 13 -3.517 -10.273 0.387
74 HH TYR 13 HH TYR 13 -5.922 -12.328 1.420
75 H LYS 14 H LYS 14 -8.555 -4.669 -2.416
76 HA LYS 14 HA LYS 14 -7.212 -4.099 -4.926
77 HB2 LYS 14 1HB LYS 14 -9.198 -5.155 -5.767
78 HB3 LYS 14 2HB LYS 14 -10.219 -4.224 -4.679
79 HG2 LYS 14 1HG LYS 14 -9.112 -2.197 -5.978
80 HG3 LYS 14 2HG LYS 14 -8.937 -3.430 -7.229
81 HD2 LYS 14 1HD LYS 14 -11.457 -3.910 -6.649
82 HD3 LYS 14 2HD LYS 14 -11.409 -2.250 -6.049
83 HE2 LYS 14 1HE LYS 14 -12.063 -1.958 -8.247
84 HE3 LYS 14 2HE LYS 14 -10.318 -1.725 -8.344
85 HZ1 LYS 14 3HZ LYS 14 -10.060 -3.959 -9.138
86 HZ2 LYS 14 1HZ LYS 14 -11.202 -3.171 -10.106
87 HZ3 LYS 14 2HZ LYS 14 -11.708 -4.281 -8.935
88 H CYS 15 H CYS 15 -6.670 -2.004 -5.075
89 HA CYS 15 HA CYS 15 -6.955 -0.260 -2.918
90 HB2 CYS 15 1HB CYS 15 -5.356 -0.258 -5.041
91 HB3 CYS 15 2HB CYS 15 -6.561 0.872 -5.650
92 H GLN 16 H GLN 16 -7.860 2.065 -3.279
93 HA GLN 16 HA GLN 16 -10.555 1.868 -4.449
94 HB2 GLN 16 1HB GLN 16 -9.947 3.418 -1.939
95 HB3 GLN 16 2HB GLN 16 -11.520 2.983 -2.593
96 HG2 GLN 16 1HG GLN 16 -9.525 0.980 -1.572
97 HG3 GLN 16 2HG GLN 16 -10.808 1.682 -0.588
98 HE21 GLN 16 1HE2 GLN 16 -10.069 -1.041 -1.974
99 HE22 GLN 16 2HE2 GLN 16 -11.607 -1.582 -2.545
100 H VAL 17 H VAL 17 -7.710 3.756 -3.853
101 HA VAL 17 HA VAL 17 -8.802 6.235 -4.813
102 HB VAL 17 HB VAL 17 -6.368 6.939 -4.877
103 HG11 VAL 17 1HG1 VAL 17 -6.162 6.846 -2.347
104 HG12 VAL 17 2HG1 VAL 17 -7.635 7.573 -2.993
105 HG13 VAL 17 3HG1 VAL 17 -7.666 5.925 -2.362
106 HG21 VAL 17 3HG2 VAL 17 -5.489 4.623 -5.167
107 HG22 VAL 17 1HG2 VAL 17 -4.720 5.526 -3.861
108 HG23 VAL 17 2HG2 VAL 17 -5.930 4.297 -3.491
109 H CYS 18 H CYS 18 -6.792 3.650 -6.143
110 HA CYS 18 HA CYS 18 -7.035 4.907 -8.797
111 HB2 CYS 18 1HB CYS 18 -5.019 3.706 -9.443
112 HB3 CYS 18 2HB CYS 18 -4.710 4.656 -7.992
113 H GLY 19 H GLY 19 -7.427 1.957 -6.942
114 HA2 GLY 19 1HA GLY 19 -9.164 0.401 -7.456
115 HA3 GLY 19 2HA GLY 19 -9.046 0.876 -9.144
116 H LYS 20 H LYS 20 -6.118 0.319 -7.409
117 HA LYS 20 HA LYS 20 -5.277 -1.703 -9.200
118 HB2 LYS 20 1HB LYS 20 -4.190 -0.441 -6.735
119 HB3 LYS 20 2HB LYS 20 -3.511 -1.992 -7.213
120 HG2 LYS 20 1HG LYS 20 -3.746 0.152 -9.261
121 HG3 LYS 20 2HG LYS 20 -2.471 0.267 -8.046
122 HD2 LYS 20 1HD LYS 20 -2.053 -2.242 -8.727
123 HD3 LYS 20 2HD LYS 20 -2.861 -1.742 -10.215
124 HE2 LYS 20 1HE LYS 20 -0.653 -1.313 -10.718
125 HE3 LYS 20 2HE LYS 20 -1.189 0.256 -10.119
126 HZ1 LYS 20 3HZ LYS 20 1.005 -0.836 -9.252
127 HZ2 LYS 20 1HZ LYS 20 -0.048 -1.653 -8.210
128 HZ3 LYS 20 2HZ LYS 20 0.004 0.037 -8.204
129 H ALA 21 H ALA 21 -4.311 -3.820 -8.249
130 HA ALA 21 HA ALA 21 -5.911 -5.005 -6.140
131 HB1 ALA 21 3HB ALA 21 -7.200 -5.211 -8.330
132 HB2 ALA 21 1HB ALA 21 -5.948 -6.351 -8.824
133 HB3 ALA 21 2HB ALA 21 -6.940 -6.690 -7.405
134 H PHE 22 H PHE 22 -4.690 -6.351 -4.985
135 HA PHE 22 HA PHE 22 -2.438 -7.709 -6.287
136 HB2 PHE 22 1HB PHE 22 -2.123 -6.563 -3.530
137 HB3 PHE 22 2HB PHE 22 -0.877 -7.046 -4.676
138 HD1 PHE 22 HD2 PHE 22 -3.628 -4.564 -4.288
139 HD2 PHE 22 HD1 PHE 22 0.225 -5.423 -5.878
140 HE1 PHE 22 HE2 PHE 22 -3.423 -2.231 -5.040
141 HE2 PHE 22 HE1 PHE 22 0.438 -3.090 -6.632
142 HZ PHE 22 HZ PHE 22 -1.388 -1.491 -6.214
143 H ARG 23 H ARG 23 -2.823 -9.808 -6.079
144 HA ARG 23 HA ARG 23 -4.621 -11.029 -4.383
145 HB2 ARG 23 1HB ARG 23 -3.200 -13.120 -4.772
146 HB3 ARG 23 2HB ARG 23 -3.839 -12.307 -6.195
147 HG2 ARG 23 1HG ARG 23 -1.781 -11.582 -6.879
148 HG3 ARG 23 2HG ARG 23 -1.118 -11.578 -5.243
149 HD2 ARG 23 1HD ARG 23 -1.870 -14.113 -6.671
150 HD3 ARG 23 2HD ARG 23 -0.275 -13.379 -6.832
151 HE ARG 23 HE ARG 23 -0.975 -13.706 -4.102
152 HH11 ARG 23 1HH1 ARG 23 0.109 -15.460 -6.906
153 HH12 ARG 23 2HH1 ARG 23 0.903 -16.697 -5.988
154 HH21 ARG 23 1HH2 ARG 23 0.065 -15.328 -2.881
155 HH22 ARG 23 2HH2 ARG 23 0.876 -16.621 -3.698
156 H VAL 24 H VAL 24 -1.589 -9.695 -3.610
157 HA VAL 24 HA VAL 24 -1.529 -11.145 -1.045
158 HB VAL 24 HB VAL 24 0.819 -10.614 -0.868
159 HG11 VAL 24 1HG1 VAL 24 -0.243 -12.030 -3.217
160 HG12 VAL 24 2HG1 VAL 24 1.468 -11.607 -3.299
161 HG13 VAL 24 3HG1 VAL 24 0.863 -12.583 -1.960
162 HG21 VAL 24 3HG2 VAL 24 1.627 -8.789 -1.844
163 HG22 VAL 24 1HG2 VAL 24 1.505 -9.609 -3.401
164 HG23 VAL 24 2HG2 VAL 24 0.168 -8.617 -2.819
165 H SER 25 H SER 25 -0.805 -9.884 0.835
166 HA SER 25 HA SER 25 -2.167 -7.327 0.898
167 HB2 SER 25 1HB SER 25 -2.581 -8.784 2.762
168 HB3 SER 25 2HB SER 25 -0.855 -8.999 3.049
169 HG SER 25 HG SER 25 -0.744 -7.066 3.963
170 H SER 26 H SER 26 1.066 -8.491 1.860
171 HA SER 26 HA SER 26 2.340 -6.218 2.524
172 HB2 SER 26 1HB SER 26 4.419 -7.181 1.628
173 HB3 SER 26 2HB SER 26 3.451 -8.411 2.441
174 HG SER 26 HG SER 26 3.986 -9.350 0.561
175 H HIS 27 H HIS 27 2.396 -7.382 -0.849
176 HA HIS 27 HA HIS 27 3.481 -5.188 -2.063
177 HB2 HIS 27 1HB HIS 27 1.288 -6.990 -3.106
178 HB3 HIS 27 2HB HIS 27 2.194 -5.857 -4.104
179 HD2 HIS 27 HD2 HIS 27 4.390 -7.734 -1.579
180 HE1 HIS 27 HE1 HIS 27 4.824 -9.682 -5.322
181 HE2 HIS 27 HE2 HIS 27 5.638 -9.543 -2.943
182 H LEU 28 H LEU 28 -0.041 -5.764 -2.011
183 HA LEU 28 HA LEU 28 -0.980 -3.415 -2.935
184 HB2 LEU 28 1HB LEU 28 -2.575 -5.015 -2.364
185 HB3 LEU 28 2HB LEU 28 -1.975 -5.158 -0.713
186 HG LEU 28 HG LEU 28 -2.961 -3.035 -0.124
187 HD11 LEU 28 1HD1 LEU 28 -4.498 -1.972 -1.886
188 HD12 LEU 28 2HD1 LEU 28 -3.533 -2.866 -3.060
189 HD13 LEU 28 3HD1 LEU 28 -2.762 -1.681 -2.006
190 HD21 LEU 28 3HD2 LEU 28 -4.729 -4.309 0.326
191 HD22 LEU 28 1HD2 LEU 28 -4.478 -5.289 -1.118
192 HD23 LEU 28 2HD2 LEU 28 -5.399 -3.788 -1.221
193 H VAL 29 H VAL 29 0.065 -3.990 0.408
194 HA VAL 29 HA VAL 29 -0.547 -1.471 1.450
195 HB VAL 29 HB VAL 29 1.732 -3.285 2.253
196 HG11 VAL 29 1HG1 VAL 29 2.056 -1.094 3.174
197 HG12 VAL 29 2HG1 VAL 29 0.373 -1.016 3.700
198 HG13 VAL 29 3HG1 VAL 29 1.483 -2.159 4.457
199 HG21 VAL 29 3HG2 VAL 29 -0.256 -3.574 4.117
200 HG22 VAL 29 1HG2 VAL 29 -1.162 -3.451 2.609
201 HG23 VAL 29 2HG2 VAL 29 0.076 -4.693 2.796
202 H GLN 30 H GLN 30 2.604 -2.658 0.265
203 HA GLN 30 HA GLN 30 4.012 -0.279 0.498
204 HB2 GLN 30 1HB GLN 30 4.352 -2.444 -1.585
205 HB3 GLN 30 2HB GLN 30 5.543 -1.208 -1.201
206 HG2 GLN 30 1HG GLN 30 4.611 -3.488 0.510
207 HG3 GLN 30 2HG GLN 30 6.236 -3.155 -0.086
208 HE21 GLN 30 1HE2 GLN 30 3.768 -2.204 2.194
209 HE22 GLN 30 2HE2 GLN 30 4.811 -1.331 3.258
210 H HIS 31 H HIS 31 1.628 -1.220 -1.820
211 HA HIS 31 HA HIS 31 2.336 0.807 -3.750
212 HB2 HIS 31 1HB HIS 31 1.343 -0.938 -4.863
213 HB3 HIS 31 2HB HIS 31 0.253 -1.309 -3.530
214 HD1 HIS 31 HD1 HIS 31 0.656 1.190 -6.344
215 HD2 HIS 31 HD2 HIS 31 -2.268 -0.282 -3.787
216 HE1 HIS 31 HE1 HIS 31 -1.511 2.166 -7.167
217 H HIS 32 H HIS 32 0.334 0.552 -0.954
218 HA HIS 32 HA HIS 32 -1.484 2.648 -1.548
219 HB2 HIS 32 1HB HIS 32 -0.667 1.188 0.932
220 HB3 HIS 32 2HB HIS 32 -1.611 2.667 1.084
221 HD2 HIS 32 HD2 HIS 32 -2.434 -0.830 1.226
222 HE1 HIS 32 HE1 HIS 32 -5.551 0.742 -1.183
223 HE2 HIS 32 HE2 HIS 32 -4.814 -1.175 0.274
224 H SER 33 H SER 33 1.775 2.763 -1.145
225 HA SER 33 HA SER 33 1.708 5.463 0.032
226 HB2 SER 33 1HB SER 33 3.077 3.701 1.218
227 HB3 SER 33 2HB SER 33 4.124 3.659 -0.200
228 HG SER 33 HG SER 33 4.428 5.227 1.788
229 H VAL 34 H VAL 34 1.760 3.992 -2.866
230 HA VAL 34 HA VAL 34 3.856 5.457 -4.176
231 HB VAL 34 HB VAL 34 3.145 4.457 -6.192
232 HG11 VAL 34 1HG1 VAL 34 2.532 2.031 -5.337
233 HG12 VAL 34 2HG1 VAL 34 4.139 2.719 -5.094
234 HG13 VAL 34 3HG1 VAL 34 2.964 2.733 -3.778
235 HG21 VAL 34 3HG2 VAL 34 0.874 3.086 -6.015
236 HG22 VAL 34 1HG2 VAL 34 0.504 4.354 -4.846
237 HG23 VAL 34 2HG2 VAL 34 0.912 4.778 -6.509
238 H HIS 35 H HIS 35 0.415 5.864 -3.653
239 HA HIS 35 HA HIS 35 0.101 8.000 -5.530
240 HB2 HIS 35 1HB HIS 35 -1.698 7.436 -3.177
241 HB3 HIS 35 2HB HIS 35 -2.121 8.196 -4.708
242 HD1 HIS 35 HD1 HIS 35 -1.516 6.361 -6.832
243 HD2 HIS 35 HD2 HIS 35 -2.648 4.920 -3.104
244 HE1 HIS 35 HE1 HIS 35 -2.345 4.022 -7.239
245 H SER 36 H SER 36 0.086 7.918 -1.962
246 HA SER 36 HA SER 36 0.393 10.788 -1.831
247 HB2 SER 36 1HB SER 36 0.417 10.402 0.640
248 HB3 SER 36 2HB SER 36 -1.002 9.728 -0.161
249 HG SER 36 HG SER 36 0.856 8.472 1.308
250 H GLY 37 H GLY 37 2.277 11.806 -1.915
251 HA2 GLY 37 1HA GLY 37 4.549 11.100 -0.427
252 HA3 GLY 37 2HA GLY 37 4.758 10.493 -2.063
253 H GLU 38 H GLU 38 5.315 11.876 -3.674
254 HA GLU 38 HA GLU 38 5.486 14.733 -2.974
255 HB2 GLU 38 1HB GLU 38 7.471 13.428 -4.804
256 HB3 GLU 38 2HB GLU 38 7.625 14.920 -3.889
257 HG2 GLU 38 1HG GLU 38 9.038 13.293 -2.889
258 HG3 GLU 38 2HG GLU 38 7.675 13.566 -1.806
259 H ARG 39 H ARG 39 4.064 12.524 -4.943
260 HA ARG 39 HA ARG 39 4.190 13.290 -7.530
261 HB2 ARG 39 1HB ARG 39 1.935 12.546 -7.818
262 HB3 ARG 39 2HB ARG 39 2.663 11.552 -6.563
263 HG2 ARG 39 1HG ARG 39 1.351 12.423 -4.912
264 HG3 ARG 39 2HG ARG 39 1.151 13.970 -5.737
265 HD2 ARG 39 1HD ARG 39 -0.137 12.495 -7.490
266 HD3 ARG 39 2HD ARG 39 -0.317 11.404 -6.117
267 HE ARG 39 HE ARG 39 -1.690 13.868 -6.540
268 HH11 ARG 39 1HH1 ARG 39 -0.415 11.755 -4.084
269 HH12 ARG 39 2HH1 ARG 39 -1.525 12.288 -2.865
270 HH21 ARG 39 1HH2 ARG 39 -3.157 14.577 -4.943
271 HH22 ARG 39 2HH2 ARG 39 -3.085 13.892 -3.355
272 HA PRO 40 HA PRO 40 3.042 17.515 -7.901
273 HB2 PRO 40 1HB PRO 40 2.021 17.516 -10.416
274 HB3 PRO 40 2HB PRO 40 3.751 17.374 -10.082
275 HG2 PRO 40 1HG PRO 40 1.763 15.230 -10.726
276 HG3 PRO 40 2HG PRO 40 3.418 15.439 -11.328
277 HD2 PRO 40 1HD PRO 40 2.796 13.692 -9.356
278 HD3 PRO 40 2HD PRO 40 4.358 14.531 -9.430
279 H SER 41 H SER 41 1.367 18.565 -7.054
280 HA SER 41 HA SER 41 -1.049 17.564 -6.339
281 HB2 SER 41 1HB SER 41 -0.274 20.373 -7.103
282 HB3 SER 41 2HB SER 41 -1.896 19.991 -6.525
283 HG SER 41 HG SER 41 0.547 19.540 -5.150
284 H GLY 42 H GLY 42 -3.262 18.147 -7.165
285 HA2 GLY 42 1HA GLY 42 -3.618 18.676 -9.949
286 HA3 GLY 42 2HA GLY 42 -3.786 16.962 -9.597
287 HA PRO 43 HA PRO 43 -7.320 19.272 -7.206
288 HB2 PRO 43 1HB PRO 43 -7.768 21.841 -7.960
289 HB3 PRO 43 2HB PRO 43 -6.672 21.404 -6.644
290 HG2 PRO 43 1HG PRO 43 -6.037 22.100 -9.486
291 HG3 PRO 43 2HG PRO 43 -5.218 22.611 -7.998
292 HD2 PRO 43 1HD PRO 43 -4.266 20.629 -9.578
293 HD3 PRO 43 2HD PRO 43 -4.043 20.636 -7.817
294 H SER 44 H SER 44 -6.804 20.524 -10.502
295 HA SER 44 HA SER 44 -8.984 19.010 -11.552
296 HB2 SER 44 1HB SER 44 -9.947 21.167 -10.348
297 HB3 SER 44 2HB SER 44 -9.453 21.946 -11.850
298 HG SER 44 HG SER 44 -10.942 20.858 -12.929
299 H SER 45 H SER 45 -9.301 19.414 -13.884
300 HA SER 45 HA SER 45 -8.309 19.368 -15.949
301 HB2 SER 45 1HB SER 45 -8.913 21.869 -15.344
302 HB3 SER 45 2HB SER 45 -7.161 22.071 -15.375
303 HG SER 45 HG SER 45 -8.620 20.874 -17.488
304 H GLY 46 H GLY 46 -6.702 18.139 -13.983
305 HA2 GLY 46 1HA GLY 46 -4.000 19.063 -14.160
306 HA3 GLY 46 2HA GLY 46 -4.531 17.515 -13.520
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -11.965 -19.067 -34.633
2 HA2 GLY 1 1HA GLY 1 -14.111 -18.905 -32.902
3 HA3 GLY 1 2HA GLY 1 -12.435 -19.011 -32.385
4 H SER 2 H SER 2 -14.431 -17.622 -30.970
5 HA SER 2 HA SER 2 -13.728 -14.804 -31.435
6 HB2 SER 2 1HB SER 2 -16.063 -16.087 -30.014
7 HB3 SER 2 2HB SER 2 -15.694 -14.368 -29.874
8 HG SER 2 HG SER 2 -17.233 -15.022 -31.572
9 H SER 3 H SER 3 -13.610 -13.473 -29.381
10 HA SER 3 HA SER 3 -11.476 -14.336 -27.811
11 HB2 SER 3 1HB SER 3 -13.499 -12.133 -27.483
12 HB3 SER 3 2HB SER 3 -12.278 -12.428 -26.245
13 HG SER 3 HG SER 3 -11.051 -11.251 -27.473
14 H GLY 4 H GLY 4 -11.556 -14.423 -25.344
15 HA2 GLY 4 1HA GLY 4 -13.977 -15.658 -24.284
16 HA3 GLY 4 2HA GLY 4 -12.546 -16.675 -24.348
17 H SER 5 H SER 5 -13.789 -16.160 -21.952
18 HA SER 5 HA SER 5 -12.875 -13.959 -20.506
19 HB2 SER 5 1HB SER 5 -13.569 -16.760 -19.603
20 HB3 SER 5 2HB SER 5 -13.221 -15.440 -18.486
21 HG SER 5 HG SER 5 -15.446 -15.888 -20.073
22 H SER 6 H SER 6 -10.733 -13.485 -20.888
23 HA SER 6 HA SER 6 -8.703 -15.501 -20.366
24 HB2 SER 6 1HB SER 6 -8.218 -14.151 -22.257
25 HB3 SER 6 2HB SER 6 -8.595 -12.663 -21.387
26 HG SER 6 HG SER 6 -6.737 -12.948 -20.163
27 H GLY 7 H GLY 7 -7.227 -15.446 -18.699
28 HA2 GLY 7 1HA GLY 7 -6.435 -15.004 -16.591
29 HA3 GLY 7 2HA GLY 7 -6.835 -13.323 -16.911
30 H THR 8 H THR 8 -8.590 -16.360 -16.257
31 HA THR 8 HA THR 8 -10.691 -14.960 -14.885
32 HB THR 8 HB THR 8 -11.251 -16.971 -16.116
33 HG1 THR 8 HG1 THR 8 -12.694 -16.996 -14.552
34 HG21 THR 8 3HG2 THR 8 -9.789 -18.656 -16.161
35 HG22 THR 8 1HG2 THR 8 -10.322 -19.077 -14.534
36 HG23 THR 8 2HG2 THR 8 -8.927 -18.022 -14.759
37 H GLY 9 H GLY 9 -9.270 -13.908 -13.293
38 HA2 GLY 9 1HA GLY 9 -9.231 -15.443 -10.840
39 HA3 GLY 9 2HA GLY 9 -7.641 -14.977 -11.425
40 H GLU 10 H GLU 10 -10.459 -13.979 -9.770
41 HA GLU 10 HA GLU 10 -9.741 -11.156 -9.869
42 HB2 GLU 10 1HB GLU 10 -12.053 -12.630 -8.607
43 HB3 GLU 10 2HB GLU 10 -11.796 -10.900 -8.421
44 HG2 GLU 10 1HG GLU 10 -12.366 -10.437 -10.581
45 HG3 GLU 10 2HG GLU 10 -11.873 -12.024 -11.169
46 H LYS 11 H LYS 11 -8.651 -10.122 -8.322
47 HA LYS 11 HA LYS 11 -7.604 -11.630 -6.095
48 HB2 LYS 11 1HB LYS 11 -7.180 -8.798 -7.046
49 HB3 LYS 11 2HB LYS 11 -6.427 -9.438 -5.590
50 HG2 LYS 11 1HG LYS 11 -4.982 -10.760 -6.747
51 HG3 LYS 11 2HG LYS 11 -6.087 -10.969 -8.108
52 HD2 LYS 11 1HD LYS 11 -5.656 -8.647 -8.792
53 HD3 LYS 11 2HD LYS 11 -4.522 -8.472 -7.451
54 HE2 LYS 11 1HE LYS 11 -4.119 -10.732 -9.338
55 HE3 LYS 11 2HE LYS 11 -3.723 -9.109 -9.898
56 HZ1 LYS 11 3HZ LYS 11 -2.362 -8.900 -7.813
57 HZ2 LYS 11 1HZ LYS 11 -1.768 -9.988 -8.965
58 HZ3 LYS 11 2HZ LYS 11 -2.570 -10.565 -7.592
59 HA PRO 12 HA PRO 12 -10.571 -10.389 -3.089
60 HB2 PRO 12 1HB PRO 12 -9.070 -10.701 -0.848
61 HB3 PRO 12 2HB PRO 12 -9.714 -12.064 -1.770
62 HG2 PRO 12 1HG PRO 12 -6.967 -10.875 -1.817
63 HG3 PRO 12 2HG PRO 12 -7.447 -12.582 -1.812
64 HD2 PRO 12 1HD PRO 12 -6.694 -11.288 -4.068
65 HD3 PRO 12 2HD PRO 12 -7.898 -12.593 -4.072
66 H TYR 13 H TYR 13 -7.313 -8.999 -2.855
67 HA TYR 13 HA TYR 13 -8.390 -6.646 -1.498
68 HB2 TYR 13 1HB TYR 13 -5.499 -6.927 -2.201
69 HB3 TYR 13 2HB TYR 13 -6.239 -6.172 -0.794
70 HD1 TYR 13 HD2 TYR 13 -8.052 -8.516 -0.055
71 HD2 TYR 13 HD1 TYR 13 -3.927 -8.307 -1.075
72 HE1 TYR 13 HE2 TYR 13 -7.629 -10.550 1.262
73 HE2 TYR 13 HE1 TYR 13 -3.493 -10.341 0.237
74 HH TYR 13 HH TYR 13 -5.834 -12.426 1.224
75 H LYS 14 H LYS 14 -8.583 -4.686 -2.423
76 HA LYS 14 HA LYS 14 -7.286 -4.114 -4.960
77 HB2 LYS 14 1HB LYS 14 -9.310 -5.145 -5.745
78 HB3 LYS 14 2HB LYS 14 -10.287 -4.197 -4.631
79 HG2 LYS 14 1HG LYS 14 -9.199 -2.185 -5.955
80 HG3 LYS 14 2HG LYS 14 -9.048 -3.417 -7.210
81 HD2 LYS 14 1HD LYS 14 -11.487 -3.900 -6.903
82 HD3 LYS 14 2HD LYS 14 -11.569 -2.498 -5.834
83 HE2 LYS 14 1HE LYS 14 -11.164 -1.001 -7.559
84 HE3 LYS 14 2HE LYS 14 -10.429 -2.231 -8.587
85 HZ1 LYS 14 3HZ LYS 14 -12.577 -3.204 -8.960
86 HZ2 LYS 14 1HZ LYS 14 -12.656 -1.556 -9.333
87 HZ3 LYS 14 2HZ LYS 14 -13.312 -2.128 -7.882
88 H CYS 15 H CYS 15 -6.664 -2.048 -5.054
89 HA CYS 15 HA CYS 15 -6.908 -0.306 -2.897
90 HB2 CYS 15 1HB CYS 15 -5.330 -0.325 -5.039
91 HB3 CYS 15 2HB CYS 15 -6.515 0.840 -5.622
92 H GLN 16 H GLN 16 -7.728 2.082 -3.357
93 HA GLN 16 HA GLN 16 -10.460 1.919 -4.438
94 HB2 GLN 16 1HB GLN 16 -9.688 3.421 -1.934
95 HB3 GLN 16 2HB GLN 16 -11.306 3.220 -2.591
96 HG2 GLN 16 1HG GLN 16 -9.557 1.068 -1.426
97 HG3 GLN 16 2HG GLN 16 -11.004 1.767 -0.701
98 HE21 GLN 16 1HE2 GLN 16 -10.179 -0.995 -1.674
99 HE22 GLN 16 2HE2 GLN 16 -11.517 -1.508 -2.638
100 H VAL 17 H VAL 17 -7.593 3.812 -3.842
101 HA VAL 17 HA VAL 17 -8.629 6.270 -4.873
102 HB VAL 17 HB VAL 17 -6.234 6.973 -4.951
103 HG11 VAL 17 1HG1 VAL 17 -7.423 5.819 -2.449
104 HG12 VAL 17 2HG1 VAL 17 -5.882 6.679 -2.429
105 HG13 VAL 17 3HG1 VAL 17 -7.346 7.504 -2.964
106 HG21 VAL 17 3HG2 VAL 17 -5.862 4.101 -4.617
107 HG22 VAL 17 1HG2 VAL 17 -4.741 5.328 -5.206
108 HG23 VAL 17 2HG2 VAL 17 -4.924 5.060 -3.472
109 H CYS 18 H CYS 18 -6.764 3.585 -6.203
110 HA CYS 18 HA CYS 18 -7.070 4.786 -8.878
111 HB2 CYS 18 1HB CYS 18 -5.047 3.620 -9.558
112 HB3 CYS 18 2HB CYS 18 -4.713 4.615 -8.145
113 H GLY 19 H GLY 19 -7.479 1.967 -6.879
114 HA2 GLY 19 1HA GLY 19 -9.131 0.326 -7.293
115 HA3 GLY 19 2HA GLY 19 -9.099 0.757 -8.996
116 H LYS 20 H LYS 20 -6.082 0.311 -7.394
117 HA LYS 20 HA LYS 20 -5.261 -1.724 -9.166
118 HB2 LYS 20 1HB LYS 20 -4.131 -0.422 -6.742
119 HB3 LYS 20 2HB LYS 20 -3.439 -1.965 -7.225
120 HG2 LYS 20 1HG LYS 20 -3.751 0.259 -9.202
121 HG3 LYS 20 2HG LYS 20 -2.374 0.206 -8.099
122 HD2 LYS 20 1HD LYS 20 -2.243 -2.292 -8.985
123 HD3 LYS 20 2HD LYS 20 -3.065 -1.578 -10.374
124 HE2 LYS 20 1HE LYS 20 -1.160 0.246 -10.079
125 HE3 LYS 20 2HE LYS 20 -0.321 -1.114 -9.334
126 HZ1 LYS 20 3HZ LYS 20 -0.671 -0.576 -12.059
127 HZ2 LYS 20 1HZ LYS 20 -1.499 -2.009 -11.707
128 HZ3 LYS 20 2HZ LYS 20 0.147 -1.873 -11.344
129 H ALA 21 H ALA 21 -4.248 -3.821 -8.245
130 HA ALA 21 HA ALA 21 -5.839 -5.014 -6.114
131 HB1 ALA 21 3HB ALA 21 -5.675 -6.660 -8.567
132 HB2 ALA 21 1HB ALA 21 -6.942 -6.566 -7.343
133 HB3 ALA 21 2HB ALA 21 -6.815 -5.315 -8.581
134 H PHE 22 H PHE 22 -4.789 -6.614 -5.022
135 HA PHE 22 HA PHE 22 -2.367 -7.780 -6.141
136 HB2 PHE 22 1HB PHE 22 -2.178 -6.590 -3.394
137 HB3 PHE 22 2HB PHE 22 -0.885 -7.018 -4.510
138 HD1 PHE 22 HD2 PHE 22 -3.781 -4.683 -4.253
139 HD2 PHE 22 HD1 PHE 22 0.194 -5.330 -5.631
140 HE1 PHE 22 HE2 PHE 22 -3.665 -2.344 -5.008
141 HE2 PHE 22 HE1 PHE 22 0.317 -2.992 -6.387
142 HZ PHE 22 HZ PHE 22 -1.615 -1.496 -6.077
143 H ARG 23 H ARG 23 -2.818 -9.876 -5.949
144 HA ARG 23 HA ARG 23 -4.603 -11.109 -4.277
145 HB2 ARG 23 1HB ARG 23 -3.231 -13.188 -4.615
146 HB3 ARG 23 2HB ARG 23 -3.656 -12.335 -6.093
147 HG2 ARG 23 1HG ARG 23 -1.506 -11.714 -6.521
148 HG3 ARG 23 2HG ARG 23 -1.053 -11.700 -4.816
149 HD2 ARG 23 1HD ARG 23 -1.467 -14.277 -4.995
150 HD3 ARG 23 2HD ARG 23 -1.231 -13.993 -6.719
151 HE ARG 23 HE ARG 23 0.882 -12.771 -5.404
152 HH11 ARG 23 1HH1 ARG 23 -0.392 -15.984 -5.819
153 HH12 ARG 23 2HH1 ARG 23 1.152 -16.756 -5.665
154 HH21 ARG 23 1HH2 ARG 23 2.919 -13.776 -5.199
155 HH22 ARG 23 2HH2 ARG 23 3.034 -15.499 -5.312
156 H VAL 24 H VAL 24 -1.570 -9.760 -3.451
157 HA VAL 24 HA VAL 24 -1.623 -11.112 -0.834
158 HB VAL 24 HB VAL 24 0.724 -10.642 -0.599
159 HG11 VAL 24 1HG1 VAL 24 1.332 -12.396 -1.842
160 HG12 VAL 24 2HG1 VAL 24 -0.333 -12.404 -2.427
161 HG13 VAL 24 3HG1 VAL 24 0.924 -11.578 -3.350
162 HG21 VAL 24 3HG2 VAL 24 1.895 -9.131 -1.789
163 HG22 VAL 24 1HG2 VAL 24 1.120 -9.577 -3.309
164 HG23 VAL 24 2HG2 VAL 24 0.302 -8.488 -2.189
165 H SER 25 H SER 25 -1.048 -9.824 1.039
166 HA SER 25 HA SER 25 -2.252 -7.184 0.894
167 HB2 SER 25 1HB SER 25 -2.976 -8.604 2.713
168 HB3 SER 25 2HB SER 25 -1.310 -8.852 3.238
169 HG SER 25 HG SER 25 -2.800 -6.439 3.300
170 H SER 26 H SER 26 0.865 -8.660 1.575
171 HA SER 26 HA SER 26 2.232 -6.475 2.607
172 HB2 SER 26 1HB SER 26 3.367 -8.586 0.757
173 HB3 SER 26 2HB SER 26 4.275 -7.588 1.893
174 HG SER 26 HG SER 26 2.955 -9.898 2.331
175 H HIS 27 H HIS 27 2.076 -7.525 -0.797
176 HA HIS 27 HA HIS 27 3.498 -5.383 -1.883
177 HB2 HIS 27 1HB HIS 27 1.293 -7.036 -3.131
178 HB3 HIS 27 2HB HIS 27 2.380 -5.974 -4.021
179 HD2 HIS 27 HD2 HIS 27 4.553 -7.673 -1.527
180 HE1 HIS 27 HE1 HIS 27 4.509 -10.266 -4.885
181 HE2 HIS 27 HE2 HIS 27 5.577 -9.761 -2.660
182 H LEU 28 H LEU 28 -0.045 -5.821 -1.849
183 HA LEU 28 HA LEU 28 -0.889 -3.469 -2.883
184 HB2 LEU 28 1HB LEU 28 -2.548 -4.984 -2.269
185 HB3 LEU 28 2HB LEU 28 -1.958 -5.101 -0.613
186 HG LEU 28 HG LEU 28 -2.836 -2.881 -0.127
187 HD11 LEU 28 1HD1 LEU 28 -3.836 -1.488 -1.658
188 HD12 LEU 28 2HD1 LEU 28 -4.209 -2.800 -2.774
189 HD13 LEU 28 3HD1 LEU 28 -2.555 -2.208 -2.632
190 HD21 LEU 28 3HD2 LEU 28 -4.322 -5.198 -0.603
191 HD22 LEU 28 1HD2 LEU 28 -5.267 -3.881 -1.298
192 HD23 LEU 28 2HD2 LEU 28 -4.780 -3.818 0.396
193 H VAL 29 H VAL 29 0.449 -3.962 0.327
194 HA VAL 29 HA VAL 29 -0.187 -1.437 1.408
195 HB VAL 29 HB VAL 29 2.133 -3.255 2.078
196 HG11 VAL 29 1HG1 VAL 29 1.763 -1.992 4.349
197 HG12 VAL 29 2HG1 VAL 29 2.765 -1.287 3.078
198 HG13 VAL 29 3HG1 VAL 29 1.103 -0.738 3.299
199 HG21 VAL 29 3HG2 VAL 29 0.670 -4.575 3.105
200 HG22 VAL 29 1HG2 VAL 29 0.046 -3.209 4.031
201 HG23 VAL 29 2HG2 VAL 29 -0.642 -3.593 2.453
202 H GLN 30 H GLN 30 2.910 -2.612 0.077
203 HA GLN 30 HA GLN 30 4.313 -0.235 0.171
204 HB2 GLN 30 1HB GLN 30 4.501 -2.395 -1.936
205 HB3 GLN 30 2HB GLN 30 5.718 -1.162 -1.630
206 HG2 GLN 30 1HG GLN 30 4.910 -3.458 0.120
207 HG3 GLN 30 2HG GLN 30 6.492 -3.104 -0.571
208 HE21 GLN 30 1HE2 GLN 30 4.146 -2.153 1.843
209 HE22 GLN 30 2HE2 GLN 30 5.252 -1.300 2.860
210 H HIS 31 H HIS 31 1.756 -1.172 -1.952
211 HA HIS 31 HA HIS 31 2.319 0.886 -3.909
212 HB2 HIS 31 1HB HIS 31 1.322 -0.876 -4.994
213 HB3 HIS 31 2HB HIS 31 0.310 -1.293 -3.614
214 HD1 HIS 31 HD1 HIS 31 0.491 1.169 -6.470
215 HD2 HIS 31 HD2 HIS 31 -2.232 -0.251 -3.672
216 HE1 HIS 31 HE1 HIS 31 -1.735 2.117 -7.157
217 H HIS 32 H HIS 32 0.490 0.531 -1.011
218 HA HIS 32 HA HIS 32 -1.430 2.569 -1.466
219 HB2 HIS 32 1HB HIS 32 -0.450 1.041 0.892
220 HB3 HIS 32 2HB HIS 32 -1.304 2.550 1.203
221 HD2 HIS 32 HD2 HIS 32 -2.276 -0.911 1.264
222 HE1 HIS 32 HE1 HIS 32 -5.531 0.915 -0.754
223 HE2 HIS 32 HE2 HIS 32 -4.750 -1.104 0.534
224 H SER 33 H SER 33 1.836 2.804 -1.285
225 HA SER 33 HA SER 33 1.758 5.476 -0.049
226 HB2 SER 33 1HB SER 33 4.029 5.226 0.562
227 HB3 SER 33 2HB SER 33 3.294 3.664 0.922
228 HG SER 33 HG SER 33 5.048 3.110 -0.205
229 H VAL 34 H VAL 34 1.544 4.142 -2.969
230 HA VAL 34 HA VAL 34 3.507 5.660 -4.424
231 HB VAL 34 HB VAL 34 2.640 4.706 -6.387
232 HG11 VAL 34 1HG1 VAL 34 2.638 2.930 -4.014
233 HG12 VAL 34 2HG1 VAL 34 2.016 2.266 -5.526
234 HG13 VAL 34 3HG1 VAL 34 3.660 2.903 -5.451
235 HG21 VAL 34 3HG2 VAL 34 0.425 3.580 -6.471
236 HG22 VAL 34 1HG2 VAL 34 0.109 4.169 -4.839
237 HG23 VAL 34 2HG2 VAL 34 0.323 5.313 -6.163
238 H HIS 35 H HIS 35 0.222 6.110 -3.392
239 HA HIS 35 HA HIS 35 -0.196 8.378 -5.163
240 HB2 HIS 35 1HB HIS 35 -2.055 7.571 -2.944
241 HB3 HIS 35 2HB HIS 35 -2.436 8.360 -4.472
242 HD1 HIS 35 HD1 HIS 35 -1.848 6.676 -6.643
243 HD2 HIS 35 HD2 HIS 35 -2.712 4.957 -2.960
244 HE1 HIS 35 HE1 HIS 35 -2.513 4.303 -7.147
245 H SER 36 H SER 36 1.942 8.530 -3.221
246 HA SER 36 HA SER 36 1.236 11.066 -2.035
247 HB2 SER 36 1HB SER 36 1.693 8.608 -0.386
248 HB3 SER 36 2HB SER 36 2.242 10.168 0.226
249 HG SER 36 HG SER 36 -0.176 9.190 0.362
250 H GLY 37 H GLY 37 2.891 12.361 -2.449
251 HA2 GLY 37 1HA GLY 37 5.428 12.325 -1.653
252 HA3 GLY 37 2HA GLY 37 5.511 11.214 -3.012
253 H GLU 38 H GLU 38 3.760 12.440 -4.784
254 HA GLU 38 HA GLU 38 5.341 14.793 -5.515
255 HB2 GLU 38 1HB GLU 38 4.587 14.460 -7.757
256 HB3 GLU 38 2HB GLU 38 5.069 12.890 -7.130
257 HG2 GLU 38 1HG GLU 38 2.773 12.270 -6.777
258 HG3 GLU 38 2HG GLU 38 2.231 13.881 -7.244
259 H ARG 39 H ARG 39 3.947 16.413 -6.901
260 HA ARG 39 HA ARG 39 2.374 17.895 -5.229
261 HB2 ARG 39 1HB ARG 39 3.219 18.779 -7.326
262 HB3 ARG 39 2HB ARG 39 2.185 17.689 -8.238
263 HG2 ARG 39 1HG ARG 39 0.907 19.566 -6.324
264 HG3 ARG 39 2HG ARG 39 1.533 20.206 -7.844
265 HD2 ARG 39 1HD ARG 39 -0.166 17.759 -7.898
266 HD3 ARG 39 2HD ARG 39 -0.938 19.325 -7.652
267 HE ARG 39 HE ARG 39 0.112 18.307 -10.091
268 HH11 ARG 39 1HH1 ARG 39 -0.345 21.237 -8.267
269 HH12 ARG 39 2HH1 ARG 39 -0.378 22.258 -9.666
270 HH21 ARG 39 1HH2 ARG 39 0.070 19.641 -11.941
271 HH22 ARG 39 2HH2 ARG 39 -0.143 21.349 -11.756
272 HA PRO 40 HA PRO 40 -1.308 15.455 -4.789
273 HB2 PRO 40 1HB PRO 40 -2.732 17.297 -3.393
274 HB3 PRO 40 2HB PRO 40 -1.440 16.332 -2.670
275 HG2 PRO 40 1HG PRO 40 -1.360 19.146 -3.688
276 HG3 PRO 40 2HG PRO 40 -0.657 18.472 -2.206
277 HD2 PRO 40 1HD PRO 40 0.812 18.945 -4.431
278 HD3 PRO 40 2HD PRO 40 1.172 17.612 -3.315
279 H SER 41 H SER 41 -3.060 15.196 -6.042
280 HA SER 41 HA SER 41 -3.621 16.452 -8.332
281 HB2 SER 41 1HB SER 41 -5.376 15.051 -6.374
282 HB3 SER 41 2HB SER 41 -6.160 15.924 -7.690
283 HG SER 41 HG SER 41 -4.736 13.589 -7.742
284 H GLY 42 H GLY 42 -4.985 17.437 -5.196
285 HA2 GLY 42 1HA GLY 42 -4.961 19.908 -4.830
286 HA3 GLY 42 2HA GLY 42 -5.665 20.033 -6.435
287 HA PRO 43 HA PRO 43 -8.870 19.368 -2.905
288 HB2 PRO 43 1HB PRO 43 -9.391 21.934 -2.189
289 HB3 PRO 43 2HB PRO 43 -8.178 20.938 -1.378
290 HG2 PRO 43 1HG PRO 43 -7.810 23.025 -3.493
291 HG3 PRO 43 2HG PRO 43 -6.857 22.740 -2.024
292 HD2 PRO 43 1HD PRO 43 -6.052 21.900 -4.469
293 HD3 PRO 43 2HD PRO 43 -5.667 21.013 -2.980
294 H SER 44 H SER 44 -10.922 19.230 -3.591
295 HA SER 44 HA SER 44 -11.748 20.970 -5.821
296 HB2 SER 44 1HB SER 44 -11.529 18.350 -6.055
297 HB3 SER 44 2HB SER 44 -13.106 18.361 -5.266
298 HG SER 44 HG SER 44 -13.727 19.893 -6.961
299 H SER 45 H SER 45 -13.021 19.183 -3.018
300 HA SER 45 HA SER 45 -14.949 19.477 -1.805
301 HB2 SER 45 1HB SER 45 -14.072 22.370 -1.936
302 HB3 SER 45 2HB SER 45 -15.023 21.605 -0.663
303 HG SER 45 HG SER 45 -13.262 20.598 0.076
304 H GLY 46 H GLY 46 -15.562 19.341 -4.509
305 HA2 GLY 46 1HA GLY 46 -17.501 19.614 -5.749
306 HA3 GLY 46 2HA GLY 46 -18.080 20.741 -4.531
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.607 -10.274 -29.836
2 HA2 GLY 1 1HA GLY 1 4.127 -10.157 -27.814
3 HA3 GLY 1 2HA GLY 1 4.553 -8.563 -28.420
4 H SER 2 H SER 2 2.149 -10.475 -26.803
5 HA SER 2 HA SER 2 0.497 -8.075 -26.392
6 HB2 SER 2 1HB SER 2 -0.159 -11.016 -26.144
7 HB3 SER 2 2HB SER 2 -1.244 -9.733 -25.607
8 HG SER 2 HG SER 2 -0.239 -9.554 -28.198
9 H SER 3 H SER 3 1.128 -7.031 -24.614
10 HA SER 3 HA SER 3 1.890 -8.592 -22.245
11 HB2 SER 3 1HB SER 3 2.529 -5.806 -23.168
12 HB3 SER 3 2HB SER 3 2.674 -6.232 -21.463
13 HG SER 3 HG SER 3 4.307 -7.556 -21.910
14 H GLY 4 H GLY 4 -0.822 -8.494 -22.839
15 HA2 GLY 4 1HA GLY 4 -1.800 -6.878 -20.576
16 HA3 GLY 4 2HA GLY 4 -2.648 -6.842 -22.115
17 H SER 5 H SER 5 -1.401 -9.237 -19.785
18 HA SER 5 HA SER 5 -3.893 -10.759 -20.191
19 HB2 SER 5 1HB SER 5 -1.094 -11.740 -19.613
20 HB3 SER 5 2HB SER 5 -2.522 -12.765 -19.470
21 HG SER 5 HG SER 5 -2.946 -12.263 -21.700
22 H SER 6 H SER 6 -3.805 -8.681 -18.357
23 HA SER 6 HA SER 6 -3.140 -9.566 -15.736
24 HB2 SER 6 1HB SER 6 -4.972 -7.331 -16.640
25 HB3 SER 6 2HB SER 6 -4.408 -7.572 -14.987
26 HG SER 6 HG SER 6 -2.517 -6.788 -15.513
27 H GLY 7 H GLY 7 -4.587 -10.062 -14.005
28 HA2 GLY 7 1HA GLY 7 -6.908 -10.484 -13.311
29 HA3 GLY 7 2HA GLY 7 -7.180 -11.151 -14.913
30 H THR 8 H THR 8 -6.582 -13.245 -15.360
31 HA THR 8 HA THR 8 -6.459 -15.463 -14.758
32 HB THR 8 HB THR 8 -4.115 -14.852 -15.237
33 HG1 THR 8 HG1 THR 8 -4.244 -16.971 -14.789
34 HG21 THR 8 3HG2 THR 8 -3.505 -13.236 -13.674
35 HG22 THR 8 1HG2 THR 8 -2.638 -14.667 -13.119
36 HG23 THR 8 2HG2 THR 8 -4.128 -14.173 -12.316
37 H GLY 9 H GLY 9 -8.038 -14.043 -12.908
38 HA2 GLY 9 1HA GLY 9 -8.967 -15.325 -10.994
39 HA3 GLY 9 2HA GLY 9 -7.319 -15.416 -10.390
40 H GLU 10 H GLU 10 -10.207 -13.811 -10.118
41 HA GLU 10 HA GLU 10 -9.452 -11.145 -9.698
42 HB2 GLU 10 1HB GLU 10 -11.552 -10.884 -8.539
43 HB3 GLU 10 2HB GLU 10 -11.794 -11.935 -9.928
44 HG2 GLU 10 1HG GLU 10 -11.356 -12.964 -7.140
45 HG3 GLU 10 2HG GLU 10 -12.949 -12.633 -7.815
46 H LYS 11 H LYS 11 -8.546 -10.081 -8.036
47 HA LYS 11 HA LYS 11 -7.477 -11.663 -5.842
48 HB2 LYS 11 1HB LYS 11 -7.024 -8.799 -6.689
49 HB3 LYS 11 2HB LYS 11 -6.260 -9.536 -5.287
50 HG2 LYS 11 1HG LYS 11 -4.853 -10.810 -6.545
51 HG3 LYS 11 2HG LYS 11 -5.976 -10.907 -7.904
52 HD2 LYS 11 1HD LYS 11 -5.527 -8.429 -8.254
53 HD3 LYS 11 2HD LYS 11 -4.185 -8.618 -7.123
54 HE2 LYS 11 1HE LYS 11 -3.143 -8.930 -9.159
55 HE3 LYS 11 2HE LYS 11 -3.502 -10.587 -8.676
56 HZ1 LYS 11 3HZ LYS 11 -4.200 -10.491 -10.867
57 HZ2 LYS 11 1HZ LYS 11 -4.838 -8.931 -10.719
58 HZ3 LYS 11 2HZ LYS 11 -5.641 -10.244 -10.017
59 HA PRO 12 HA PRO 12 -10.491 -10.431 -2.883
60 HB2 PRO 12 1HB PRO 12 -9.024 -10.703 -0.615
61 HB3 PRO 12 2HB PRO 12 -9.631 -12.083 -1.537
62 HG2 PRO 12 1HG PRO 12 -6.903 -10.852 -1.546
63 HG3 PRO 12 2HG PRO 12 -7.357 -12.566 -1.535
64 HD2 PRO 12 1HD PRO 12 -6.585 -11.278 -3.789
65 HD3 PRO 12 2HD PRO 12 -7.768 -12.601 -3.803
66 H TYR 13 H TYR 13 -7.299 -8.928 -2.801
67 HA TYR 13 HA TYR 13 -8.419 -6.599 -1.415
68 HB2 TYR 13 1HB TYR 13 -5.512 -6.899 -2.079
69 HB3 TYR 13 2HB TYR 13 -6.263 -6.041 -0.738
70 HD1 TYR 13 HD2 TYR 13 -8.071 -8.202 0.273
71 HD2 TYR 13 HD1 TYR 13 -4.006 -8.322 -0.977
72 HE1 TYR 13 HE2 TYR 13 -7.686 -10.143 1.734
73 HE2 TYR 13 HE1 TYR 13 -3.610 -10.264 0.479
74 HH TYR 13 HH TYR 13 -6.198 -11.949 2.040
75 H LYS 14 H LYS 14 -8.560 -4.624 -2.346
76 HA LYS 14 HA LYS 14 -7.269 -4.084 -4.886
77 HB2 LYS 14 1HB LYS 14 -9.266 -5.147 -5.687
78 HB3 LYS 14 2HB LYS 14 -10.271 -4.210 -4.590
79 HG2 LYS 14 1HG LYS 14 -9.198 -2.189 -5.919
80 HG3 LYS 14 2HG LYS 14 -9.026 -3.428 -7.164
81 HD2 LYS 14 1HD LYS 14 -11.531 -3.929 -6.576
82 HD3 LYS 14 2HD LYS 14 -11.500 -2.278 -5.952
83 HE2 LYS 14 1HE LYS 14 -12.173 -1.958 -8.138
84 HE3 LYS 14 2HE LYS 14 -10.432 -1.708 -8.249
85 HZ1 LYS 14 3HZ LYS 14 -12.056 -3.706 -9.483
86 HZ2 LYS 14 1HZ LYS 14 -10.760 -4.390 -8.637
87 HZ3 LYS 14 2HZ LYS 14 -10.471 -3.237 -9.840
88 H CYS 15 H CYS 15 -6.701 -2.001 -5.033
89 HA CYS 15 HA CYS 15 -6.987 -0.234 -2.893
90 HB2 CYS 15 1HB CYS 15 -5.373 -0.266 -5.007
91 HB3 CYS 15 2HB CYS 15 -6.563 0.872 -5.630
92 H GLN 16 H GLN 16 -7.843 2.123 -3.364
93 HA GLN 16 HA GLN 16 -10.554 1.908 -4.491
94 HB2 GLN 16 1HB GLN 16 -9.840 3.497 -2.026
95 HB3 GLN 16 2HB GLN 16 -11.447 3.214 -2.683
96 HG2 GLN 16 1HG GLN 16 -9.713 0.956 -1.750
97 HG3 GLN 16 2HG GLN 16 -10.730 1.869 -0.637
98 HE21 GLN 16 1HE2 GLN 16 -10.631 -0.908 -2.186
99 HE22 GLN 16 2HE2 GLN 16 -12.304 -1.167 -2.529
100 H VAL 17 H VAL 17 -7.726 3.864 -3.891
101 HA VAL 17 HA VAL 17 -8.787 6.274 -5.007
102 HB VAL 17 HB VAL 17 -6.423 7.042 -5.029
103 HG11 VAL 17 1HG1 VAL 17 -6.094 6.760 -2.503
104 HG12 VAL 17 2HG1 VAL 17 -7.576 7.541 -3.058
105 HG13 VAL 17 3HG1 VAL 17 -7.606 5.854 -2.541
106 HG21 VAL 17 3HG2 VAL 17 -5.031 5.222 -3.554
107 HG22 VAL 17 1HG2 VAL 17 -5.969 4.177 -4.621
108 HG23 VAL 17 2HG2 VAL 17 -4.907 5.408 -5.303
109 H CYS 18 H CYS 18 -6.819 3.605 -6.220
110 HA CYS 18 HA CYS 18 -7.070 4.736 -8.930
111 HB2 CYS 18 1HB CYS 18 -5.031 3.531 -9.523
112 HB3 CYS 18 2HB CYS 18 -4.737 4.593 -8.149
113 H GLY 19 H GLY 19 -7.575 1.980 -6.879
114 HA2 GLY 19 1HA GLY 19 -9.187 0.313 -7.299
115 HA3 GLY 19 2HA GLY 19 -9.134 0.724 -9.007
116 H LYS 20 H LYS 20 -6.120 0.330 -7.406
117 HA LYS 20 HA LYS 20 -5.254 -1.708 -9.129
118 HB2 LYS 20 1HB LYS 20 -4.208 -0.484 -6.614
119 HB3 LYS 20 2HB LYS 20 -3.471 -1.974 -7.189
120 HG2 LYS 20 1HG LYS 20 -3.818 0.197 -9.167
121 HG3 LYS 20 2HG LYS 20 -2.608 0.440 -7.905
122 HD2 LYS 20 1HD LYS 20 -1.550 -0.577 -9.811
123 HD3 LYS 20 2HD LYS 20 -1.622 -1.760 -8.504
124 HE2 LYS 20 1HE LYS 20 -3.225 -3.030 -9.563
125 HE3 LYS 20 2HE LYS 20 -3.828 -1.670 -10.509
126 HZ1 LYS 20 3HZ LYS 20 -1.091 -2.557 -11.016
127 HZ2 LYS 20 1HZ LYS 20 -2.247 -1.947 -12.091
128 HZ3 LYS 20 2HZ LYS 20 -2.343 -3.553 -11.567
129 H ALA 21 H ALA 21 -4.265 -3.812 -8.185
130 HA ALA 21 HA ALA 21 -5.846 -5.028 -6.081
131 HB1 ALA 21 3HB ALA 21 -5.873 -6.361 -8.772
132 HB2 ALA 21 1HB ALA 21 -6.854 -6.723 -7.351
133 HB3 ALA 21 2HB ALA 21 -7.140 -5.242 -8.267
134 H PHE 22 H PHE 22 -4.674 -6.473 -4.975
135 HA PHE 22 HA PHE 22 -2.397 -7.775 -6.276
136 HB2 PHE 22 1HB PHE 22 -2.110 -6.505 -3.556
137 HB3 PHE 22 2HB PHE 22 -0.843 -7.156 -4.591
138 HD1 PHE 22 HD2 PHE 22 -3.338 -4.427 -4.332
139 HD2 PHE 22 HD1 PHE 22 0.288 -5.785 -6.100
140 HE1 PHE 22 HE2 PHE 22 -2.961 -2.185 -5.272
141 HE2 PHE 22 HE1 PHE 22 0.672 -3.545 -7.042
142 HZ PHE 22 HZ PHE 22 -0.955 -1.742 -6.629
143 H ARG 23 H ARG 23 -2.882 -9.863 -6.083
144 HA ARG 23 HA ARG 23 -4.624 -11.113 -4.421
145 HB2 ARG 23 1HB ARG 23 -3.000 -13.137 -4.629
146 HB3 ARG 23 2HB ARG 23 -3.749 -12.480 -6.078
147 HG2 ARG 23 1HG ARG 23 -1.771 -11.443 -6.771
148 HG3 ARG 23 2HG ARG 23 -1.033 -11.591 -5.174
149 HD2 ARG 23 1HD ARG 23 -1.728 -13.910 -6.971
150 HD3 ARG 23 2HD ARG 23 -0.124 -13.190 -6.838
151 HE ARG 23 HE ARG 23 -1.202 -14.034 -4.317
152 HH11 ARG 23 1HH1 ARG 23 0.523 -15.055 -7.163
153 HH12 ARG 23 2HH1 ARG 23 1.300 -16.387 -6.373
154 HH21 ARG 23 1HH2 ARG 23 -0.186 -15.785 -3.266
155 HH22 ARG 23 2HH2 ARG 23 0.895 -16.802 -4.156
156 H VAL 24 H VAL 24 -1.514 -9.855 -3.584
157 HA VAL 24 HA VAL 24 -1.668 -11.124 -0.933
158 HB VAL 24 HB VAL 24 0.648 -10.843 -0.677
159 HG11 VAL 24 1HG1 VAL 24 1.215 -11.391 -3.393
160 HG12 VAL 24 2HG1 VAL 24 1.036 -12.534 -2.061
161 HG13 VAL 24 3HG1 VAL 24 -0.365 -12.084 -3.033
162 HG21 VAL 24 3HG2 VAL 24 2.047 -9.470 -2.101
163 HG22 VAL 24 1HG2 VAL 24 0.660 -9.062 -3.112
164 HG23 VAL 24 2HG2 VAL 24 0.731 -8.498 -1.442
165 H SER 25 H SER 25 -1.207 -9.833 0.940
166 HA SER 25 HA SER 25 -2.443 -7.240 0.799
167 HB2 SER 25 1HB SER 25 -2.985 -8.542 2.719
168 HB3 SER 25 2HB SER 25 -1.287 -8.859 3.072
169 HG SER 25 HG SER 25 -1.379 -7.151 4.276
170 H SER 26 H SER 26 0.793 -8.492 1.502
171 HA SER 26 HA SER 26 2.081 -6.188 2.281
172 HB2 SER 26 1HB SER 26 2.956 -8.643 1.964
173 HB3 SER 26 2HB SER 26 3.459 -8.053 0.380
174 HG SER 26 HG SER 26 4.523 -7.558 2.847
175 H HIS 27 H HIS 27 2.361 -7.445 -1.040
176 HA HIS 27 HA HIS 27 3.428 -5.326 -2.312
177 HB2 HIS 27 1HB HIS 27 1.228 -7.156 -3.270
178 HB3 HIS 27 2HB HIS 27 2.014 -5.986 -4.326
179 HD2 HIS 27 HD2 HIS 27 4.460 -7.715 -1.934
180 HE1 HIS 27 HE1 HIS 27 4.753 -9.690 -5.677
181 HE2 HIS 27 HE2 HIS 27 5.711 -9.476 -3.358
182 H LEU 28 H LEU 28 -0.080 -5.738 -1.827
183 HA LEU 28 HA LEU 28 -0.907 -3.334 -2.946
184 HB2 LEU 28 1HB LEU 28 -2.574 -4.898 -2.462
185 HB3 LEU 28 2HB LEU 28 -2.044 -5.079 -0.791
186 HG LEU 28 HG LEU 28 -2.954 -2.894 -0.241
187 HD11 LEU 28 1HD1 LEU 28 -2.790 -1.517 -2.064
188 HD12 LEU 28 2HD1 LEU 28 -4.503 -1.930 -2.126
189 HD13 LEU 28 3HD1 LEU 28 -3.360 -2.751 -3.188
190 HD21 LEU 28 3HD2 LEU 28 -5.227 -3.474 -0.266
191 HD22 LEU 28 1HD2 LEU 28 -4.367 -5.014 -0.286
192 HD23 LEU 28 2HD2 LEU 28 -5.070 -4.377 -1.773
193 H VAL 29 H VAL 29 0.299 -4.029 0.285
194 HA VAL 29 HA VAL 29 -0.345 -1.560 1.479
195 HB VAL 29 HB VAL 29 1.923 -3.446 2.133
196 HG11 VAL 29 1HG1 VAL 29 0.711 -1.611 4.134
197 HG12 VAL 29 2HG1 VAL 29 2.345 -2.272 4.048
198 HG13 VAL 29 3HG1 VAL 29 1.871 -0.948 2.983
199 HG21 VAL 29 3HG2 VAL 29 -0.140 -3.554 4.050
200 HG22 VAL 29 1HG2 VAL 29 -0.909 -3.660 2.466
201 HG23 VAL 29 2HG2 VAL 29 0.351 -4.809 2.913
202 H GLN 30 H GLN 30 2.744 -2.701 0.106
203 HA GLN 30 HA GLN 30 4.158 -0.317 0.410
204 HB2 GLN 30 1HB GLN 30 4.476 -2.433 -1.725
205 HB3 GLN 30 2HB GLN 30 5.664 -1.195 -1.339
206 HG2 GLN 30 1HG GLN 30 4.783 -3.514 0.347
207 HG3 GLN 30 2HG GLN 30 6.392 -3.162 -0.280
208 HE21 GLN 30 1HE2 GLN 30 3.969 -2.254 2.067
209 HE22 GLN 30 2HE2 GLN 30 5.034 -1.399 3.125
210 H HIS 31 H HIS 31 1.751 -1.231 -1.900
211 HA HIS 31 HA HIS 31 2.408 0.839 -3.796
212 HB2 HIS 31 1HB HIS 31 1.387 -0.876 -4.925
213 HB3 HIS 31 2HB HIS 31 0.336 -1.285 -3.571
214 HD1 HIS 31 HD1 HIS 31 0.651 1.297 -6.324
215 HD2 HIS 31 HD2 HIS 31 -2.198 -0.281 -3.745
216 HE1 HIS 31 HE1 HIS 31 -1.543 2.276 -7.066
217 H HIS 32 H HIS 32 0.465 0.531 -0.964
218 HA HIS 32 HA HIS 32 -1.363 2.640 -1.478
219 HB2 HIS 32 1HB HIS 32 -0.502 1.117 0.945
220 HB3 HIS 32 2HB HIS 32 -1.415 2.607 1.165
221 HD2 HIS 32 HD2 HIS 32 -2.059 -1.063 0.559
222 HE1 HIS 32 HE1 HIS 32 -5.628 0.951 -0.538
223 HE2 HIS 32 HE2 HIS 32 -4.584 -1.267 0.038
224 H SER 33 H SER 33 1.899 2.755 -1.167
225 HA SER 33 HA SER 33 1.868 5.419 0.088
226 HB2 SER 33 1HB SER 33 3.285 3.770 1.251
227 HB3 SER 33 2HB SER 33 4.192 3.504 -0.237
228 HG SER 33 HG SER 33 5.203 5.352 0.032
229 H VAL 34 H VAL 34 1.686 4.150 -2.845
230 HA VAL 34 HA VAL 34 3.753 5.684 -4.178
231 HB VAL 34 HB VAL 34 3.069 4.674 -6.191
232 HG11 VAL 34 1HG1 VAL 34 2.511 2.208 -5.301
233 HG12 VAL 34 2HG1 VAL 34 4.122 2.924 -5.215
234 HG13 VAL 34 3HG1 VAL 34 3.071 2.941 -3.798
235 HG21 VAL 34 3HG2 VAL 34 0.447 4.579 -4.874
236 HG22 VAL 34 1HG2 VAL 34 0.858 4.788 -6.577
237 HG23 VAL 34 2HG2 VAL 34 0.827 3.173 -5.869
238 H HIS 35 H HIS 35 0.399 5.997 -3.365
239 HA HIS 35 HA HIS 35 -0.135 8.102 -5.258
240 HB2 HIS 35 1HB HIS 35 -1.772 7.335 -2.837
241 HB3 HIS 35 2HB HIS 35 -2.318 8.222 -4.257
242 HD1 HIS 35 HD1 HIS 35 -1.559 6.524 -6.555
243 HD2 HIS 35 HD2 HIS 35 -2.890 4.888 -2.975
244 HE1 HIS 35 HE1 HIS 35 -2.409 4.230 -7.138
245 H SER 36 H SER 36 0.239 7.913 -1.723
246 HA SER 36 HA SER 36 -0.043 10.620 -1.153
247 HB2 SER 36 1HB SER 36 1.370 8.354 0.206
248 HB3 SER 36 2HB SER 36 1.577 9.994 0.819
249 HG SER 36 HG SER 36 -0.431 8.353 1.268
250 H GLY 37 H GLY 37 1.356 12.347 -1.018
251 HA2 GLY 37 1HA GLY 37 4.145 12.237 -1.294
252 HA3 GLY 37 2HA GLY 37 3.451 12.477 -2.891
253 H GLU 38 H GLU 38 3.979 13.875 0.256
254 HA GLU 38 HA GLU 38 2.488 16.192 0.121
255 HB2 GLU 38 1HB GLU 38 3.957 15.356 2.029
256 HB3 GLU 38 2HB GLU 38 5.304 16.114 1.192
257 HG2 GLU 38 1HG GLU 38 3.815 18.233 1.242
258 HG3 GLU 38 2HG GLU 38 2.951 17.381 2.520
259 H ARG 39 H ARG 39 2.382 17.667 -1.427
260 HA ARG 39 HA ARG 39 4.241 17.962 -3.502
261 HB2 ARG 39 1HB ARG 39 1.891 19.507 -2.527
262 HB3 ARG 39 2HB ARG 39 2.992 20.316 -3.634
263 HG2 ARG 39 1HG ARG 39 1.511 19.421 -5.115
264 HG3 ARG 39 2HG ARG 39 2.690 18.110 -5.030
265 HD2 ARG 39 1HD ARG 39 0.701 16.971 -4.773
266 HD3 ARG 39 2HD ARG 39 1.179 17.242 -3.097
267 HE ARG 39 HE ARG 39 -0.365 19.382 -3.608
268 HH11 ARG 39 1HH1 ARG 39 -0.838 15.971 -4.123
269 HH12 ARG 39 2HH1 ARG 39 -2.558 16.048 -3.931
270 HH21 ARG 39 1HH2 ARG 39 -2.629 19.496 -3.354
271 HH22 ARG 39 2HH2 ARG 39 -3.576 18.053 -3.494
272 HA PRO 40 HA PRO 40 7.426 20.379 -1.645
273 HB2 PRO 40 1HB PRO 40 8.546 21.368 -3.912
274 HB3 PRO 40 2HB PRO 40 8.749 19.691 -3.392
275 HG2 PRO 40 1HG PRO 40 6.876 20.828 -5.431
276 HG3 PRO 40 2HG PRO 40 7.856 19.353 -5.513
277 HD2 PRO 40 1HD PRO 40 5.213 19.315 -4.926
278 HD3 PRO 40 2HD PRO 40 6.358 18.137 -4.253
279 H SER 41 H SER 41 4.685 21.604 -2.991
280 HA SER 41 HA SER 41 5.439 24.349 -3.314
281 HB2 SER 41 1HB SER 41 2.996 24.752 -3.472
282 HB3 SER 41 2HB SER 41 3.530 23.454 -4.540
283 HG SER 41 HG SER 41 2.444 23.030 -1.954
284 H GLY 42 H GLY 42 6.524 23.890 -0.994
285 HA2 GLY 42 1HA GLY 42 6.572 24.411 1.248
286 HA3 GLY 42 2HA GLY 42 5.552 25.758 0.763
287 HA PRO 43 HA PRO 43 2.880 22.059 2.497
288 HB2 PRO 43 1HB PRO 43 4.136 20.773 4.532
289 HB3 PRO 43 2HB PRO 43 4.228 20.232 2.852
290 HG2 PRO 43 1HG PRO 43 6.200 21.831 4.438
291 HG3 PRO 43 2HG PRO 43 6.492 20.485 3.321
292 HD2 PRO 43 1HD PRO 43 6.850 23.072 2.609
293 HD3 PRO 43 2HD PRO 43 6.321 21.829 1.457
294 H SER 44 H SER 44 1.410 23.059 3.706
295 HA SER 44 HA SER 44 2.109 25.045 5.634
296 HB2 SER 44 1HB SER 44 -0.549 23.784 4.926
297 HB3 SER 44 2HB SER 44 -0.363 25.131 6.048
298 HG SER 44 HG SER 44 -0.368 26.369 4.364
299 H SER 45 H SER 45 1.827 25.017 7.865
300 HA SER 45 HA SER 45 0.920 22.666 9.240
301 HB2 SER 45 1HB SER 45 3.832 23.194 8.882
302 HB3 SER 45 2HB SER 45 3.292 22.629 10.463
303 HG SER 45 HG SER 45 2.803 21.356 7.972
304 H GLY 46 H GLY 46 1.118 22.921 11.633
305 HA2 GLY 46 1HA GLY 46 1.039 25.789 12.343
306 HA3 GLY 46 2HA GLY 46 -0.017 24.579 13.058
Start of MODEL 20
1 H1 GLY 1 H GLY 1 6.254 -12.119 -29.114
2 HA2 GLY 1 1HA GLY 1 6.024 -10.931 -26.927
3 HA3 GLY 1 2HA GLY 1 4.934 -9.841 -27.770
4 H SER 2 H SER 2 5.008 -12.335 -25.676
5 HA SER 2 HA SER 2 2.522 -13.557 -26.650
6 HB2 SER 2 1HB SER 2 4.690 -14.460 -24.795
7 HB3 SER 2 2HB SER 2 3.070 -15.129 -24.602
8 HG SER 2 HG SER 2 4.124 -15.060 -27.178
9 H SER 3 H SER 3 0.651 -12.972 -25.789
10 HA SER 3 HA SER 3 0.618 -11.264 -23.442
11 HB2 SER 3 1HB SER 3 -1.521 -12.122 -25.395
12 HB3 SER 3 2HB SER 3 -1.865 -11.143 -23.970
13 HG SER 3 HG SER 3 0.206 -10.299 -25.628
14 H GLY 4 H GLY 4 1.163 -12.709 -21.782
15 HA2 GLY 4 1HA GLY 4 -0.402 -15.101 -21.359
16 HA3 GLY 4 2HA GLY 4 0.866 -14.482 -20.312
17 H SER 5 H SER 5 -2.281 -15.213 -20.343
18 HA SER 5 HA SER 5 -3.714 -13.090 -19.347
19 HB2 SER 5 1HB SER 5 -3.868 -16.010 -18.567
20 HB3 SER 5 2HB SER 5 -5.075 -14.806 -18.116
21 HG SER 5 HG SER 5 -4.444 -15.828 -20.660
22 H SER 6 H SER 6 -3.989 -12.108 -17.391
23 HA SER 6 HA SER 6 -1.825 -12.424 -15.489
24 HB2 SER 6 1HB SER 6 -2.847 -10.428 -14.393
25 HB3 SER 6 2HB SER 6 -2.459 -10.163 -16.093
26 HG SER 6 HG SER 6 -5.027 -10.960 -15.202
27 H GLY 7 H GLY 7 -3.181 -14.717 -15.400
28 HA2 GLY 7 1HA GLY 7 -3.925 -16.124 -13.704
29 HA3 GLY 7 2HA GLY 7 -4.225 -14.712 -12.701
30 H THR 8 H THR 8 -5.916 -17.047 -13.138
31 HA THR 8 HA THR 8 -8.219 -15.802 -14.484
32 HB THR 8 HB THR 8 -7.575 -17.977 -15.420
33 HG1 THR 8 HG1 THR 8 -9.652 -18.880 -15.300
34 HG21 THR 8 3HG2 THR 8 -8.453 -19.425 -12.984
35 HG22 THR 8 1HG2 THR 8 -6.835 -18.724 -12.966
36 HG23 THR 8 2HG2 THR 8 -7.278 -19.888 -14.214
37 H GLY 9 H GLY 9 -7.542 -14.957 -11.893
38 HA2 GLY 9 1HA GLY 9 -9.998 -15.680 -10.508
39 HA3 GLY 9 2HA GLY 9 -8.505 -16.063 -9.664
40 H GLU 10 H GLU 10 -10.886 -13.828 -9.909
41 HA GLU 10 HA GLU 10 -9.576 -11.359 -9.885
42 HB2 GLU 10 1HB GLU 10 -11.584 -10.440 -9.019
43 HB3 GLU 10 2HB GLU 10 -12.065 -11.776 -10.056
44 HG2 GLU 10 1HG GLU 10 -11.958 -13.101 -7.766
45 HG3 GLU 10 2HG GLU 10 -12.253 -11.490 -7.114
46 H LYS 11 H LYS 11 -8.233 -10.459 -8.481
47 HA LYS 11 HA LYS 11 -7.387 -11.736 -6.124
48 HB2 LYS 11 1HB LYS 11 -7.055 -8.850 -6.965
49 HB3 LYS 11 2HB LYS 11 -6.167 -9.632 -5.664
50 HG2 LYS 11 1HG LYS 11 -5.049 -11.076 -7.189
51 HG3 LYS 11 2HG LYS 11 -6.086 -10.564 -8.523
52 HD2 LYS 11 1HD LYS 11 -5.171 -8.235 -8.173
53 HD3 LYS 11 2HD LYS 11 -3.982 -8.957 -7.087
54 HE2 LYS 11 1HE LYS 11 -4.384 -9.672 -9.990
55 HE3 LYS 11 2HE LYS 11 -3.090 -8.660 -9.351
56 HZ1 LYS 11 3HZ LYS 11 -2.439 -11.000 -9.752
57 HZ2 LYS 11 1HZ LYS 11 -3.530 -11.484 -8.554
58 HZ3 LYS 11 2HZ LYS 11 -2.211 -10.506 -8.151
59 HA PRO 12 HA PRO 12 -10.441 -10.529 -3.189
60 HB2 PRO 12 1HB PRO 12 -8.980 -10.825 -0.920
61 HB3 PRO 12 2HB PRO 12 -9.595 -12.195 -1.853
62 HG2 PRO 12 1HG PRO 12 -6.858 -10.983 -1.849
63 HG3 PRO 12 2HG PRO 12 -7.324 -12.694 -1.850
64 HD2 PRO 12 1HD PRO 12 -6.539 -11.396 -4.093
65 HD3 PRO 12 2HD PRO 12 -7.731 -12.711 -4.119
66 H TYR 13 H TYR 13 -7.200 -9.111 -2.896
67 HA TYR 13 HA TYR 13 -8.290 -6.787 -1.515
68 HB2 TYR 13 1HB TYR 13 -5.417 -7.041 -2.330
69 HB3 TYR 13 2HB TYR 13 -6.108 -6.242 -0.922
70 HD1 TYR 13 HD2 TYR 13 -7.901 -8.599 -0.093
71 HD2 TYR 13 HD1 TYR 13 -3.792 -8.347 -1.169
72 HE1 TYR 13 HE2 TYR 13 -7.428 -10.590 1.271
73 HE2 TYR 13 HE1 TYR 13 -3.308 -10.338 0.192
74 HH TYR 13 HH TYR 13 -5.699 -12.393 1.358
75 H LYS 14 H LYS 14 -8.320 -4.726 -2.335
76 HA LYS 14 HA LYS 14 -7.215 -4.134 -4.934
77 HB2 LYS 14 1HB LYS 14 -9.253 -5.151 -5.678
78 HB3 LYS 14 2HB LYS 14 -10.198 -4.261 -4.492
79 HG2 LYS 14 1HG LYS 14 -9.194 -2.184 -5.786
80 HG3 LYS 14 2HG LYS 14 -9.082 -3.369 -7.090
81 HD2 LYS 14 1HD LYS 14 -11.560 -3.897 -6.375
82 HD3 LYS 14 2HD LYS 14 -11.490 -2.256 -5.729
83 HE2 LYS 14 1HE LYS 14 -12.282 -1.920 -7.879
84 HE3 LYS 14 2HE LYS 14 -10.552 -1.639 -8.061
85 HZ1 LYS 14 3HZ LYS 14 -10.317 -3.916 -8.864
86 HZ2 LYS 14 1HZ LYS 14 -11.384 -3.031 -9.834
87 HZ3 LYS 14 2HZ LYS 14 -11.986 -4.154 -8.723
88 H CYS 15 H CYS 15 -6.676 -2.036 -5.078
89 HA CYS 15 HA CYS 15 -6.818 -0.341 -2.860
90 HB2 CYS 15 1HB CYS 15 -5.340 -0.312 -5.076
91 HB3 CYS 15 2HB CYS 15 -6.555 0.861 -5.574
92 H GLN 16 H GLN 16 -7.674 2.054 -3.272
93 HA GLN 16 HA GLN 16 -10.451 1.874 -4.225
94 HB2 GLN 16 1HB GLN 16 -9.544 3.291 -1.715
95 HB3 GLN 16 2HB GLN 16 -11.190 3.218 -2.327
96 HG2 GLN 16 1HG GLN 16 -9.596 0.809 -1.489
97 HG3 GLN 16 2HG GLN 16 -10.716 1.674 -0.438
98 HE21 GLN 16 1HE2 GLN 16 -10.725 -1.095 -1.477
99 HE22 GLN 16 2HE2 GLN 16 -12.259 -1.288 -2.248
100 H VAL 17 H VAL 17 -7.579 3.790 -3.732
101 HA VAL 17 HA VAL 17 -8.693 6.241 -4.710
102 HB VAL 17 HB VAL 17 -6.342 7.020 -4.807
103 HG11 VAL 17 1HG1 VAL 17 -5.875 6.607 -2.313
104 HG12 VAL 17 2HG1 VAL 17 -7.374 7.427 -2.755
105 HG13 VAL 17 3HG1 VAL 17 -7.397 5.717 -2.321
106 HG21 VAL 17 3HG2 VAL 17 -5.845 4.129 -4.429
107 HG22 VAL 17 1HG2 VAL 17 -4.910 5.337 -5.309
108 HG23 VAL 17 2HG2 VAL 17 -4.789 5.237 -3.553
109 H CYS 18 H CYS 18 -6.654 3.687 -6.085
110 HA CYS 18 HA CYS 18 -7.049 4.887 -8.745
111 HB2 CYS 18 1HB CYS 18 -5.051 3.733 -9.461
112 HB3 CYS 18 2HB CYS 18 -4.690 4.628 -7.989
113 H GLY 19 H GLY 19 -7.443 2.006 -6.811
114 HA2 GLY 19 1HA GLY 19 -9.139 0.406 -7.227
115 HA3 GLY 19 2HA GLY 19 -9.147 0.890 -8.916
116 H LYS 20 H LYS 20 -6.121 0.310 -7.339
117 HA LYS 20 HA LYS 20 -5.354 -1.654 -9.221
118 HB2 LYS 20 1HB LYS 20 -4.170 -0.474 -6.761
119 HB3 LYS 20 2HB LYS 20 -3.513 -2.008 -7.314
120 HG2 LYS 20 1HG LYS 20 -3.808 0.290 -9.205
121 HG3 LYS 20 2HG LYS 20 -2.425 0.185 -8.113
122 HD2 LYS 20 1HD LYS 20 -2.196 -2.226 -9.046
123 HD3 LYS 20 2HD LYS 20 -3.204 -1.628 -10.366
124 HE2 LYS 20 1HE LYS 20 -0.655 -0.296 -9.469
125 HE3 LYS 20 2HE LYS 20 -0.730 -1.490 -10.764
126 HZ1 LYS 20 3HZ LYS 20 -2.486 0.065 -11.755
127 HZ2 LYS 20 1HZ LYS 20 -0.862 0.528 -11.864
128 HZ3 LYS 20 2HZ LYS 20 -1.866 1.232 -10.698
129 H ALA 21 H ALA 21 -4.190 -3.728 -8.113
130 HA ALA 21 HA ALA 21 -5.849 -4.993 -6.115
131 HB1 ALA 21 3HB ALA 21 -6.501 -6.886 -7.534
132 HB2 ALA 21 1HB ALA 21 -7.196 -5.367 -8.099
133 HB3 ALA 21 2HB ALA 21 -5.808 -6.066 -8.933
134 H PHE 22 H PHE 22 -4.785 -6.585 -5.042
135 HA PHE 22 HA PHE 22 -2.386 -7.762 -6.203
136 HB2 PHE 22 1HB PHE 22 -2.177 -6.585 -3.449
137 HB3 PHE 22 2HB PHE 22 -0.888 -7.047 -4.556
138 HD1 PHE 22 HD2 PHE 22 -3.684 -4.615 -4.213
139 HD2 PHE 22 HD1 PHE 22 0.184 -5.423 -5.793
140 HE1 PHE 22 HE2 PHE 22 -3.514 -2.283 -4.979
141 HE2 PHE 22 HE1 PHE 22 0.361 -3.091 -6.561
142 HZ PHE 22 HZ PHE 22 -1.490 -1.519 -6.155
143 H ARG 23 H ARG 23 -2.731 -9.868 -5.986
144 HA ARG 23 HA ARG 23 -4.549 -11.124 -4.351
145 HB2 ARG 23 1HB ARG 23 -3.023 -13.169 -4.632
146 HB3 ARG 23 2HB ARG 23 -3.654 -12.416 -6.091
147 HG2 ARG 23 1HG ARG 23 -1.612 -11.615 -6.732
148 HG3 ARG 23 2HG ARG 23 -1.000 -11.540 -5.078
149 HD2 ARG 23 1HD ARG 23 -1.051 -14.067 -5.083
150 HD3 ARG 23 2HD ARG 23 -1.348 -13.970 -6.818
151 HE ARG 23 HE ARG 23 0.868 -12.461 -6.498
152 HH11 ARG 23 1HH1 ARG 23 0.015 -15.682 -5.488
153 HH12 ARG 23 2HH1 ARG 23 1.642 -16.273 -5.551
154 HH21 ARG 23 1HH2 ARG 23 3.014 -13.227 -6.584
155 HH22 ARG 23 2HH2 ARG 23 3.348 -14.876 -6.174
156 H VAL 24 H VAL 24 -1.553 -9.732 -3.480
157 HA VAL 24 HA VAL 24 -1.656 -11.064 -0.851
158 HB VAL 24 HB VAL 24 0.666 -10.868 -0.616
159 HG11 VAL 24 1HG1 VAL 24 1.214 -12.443 -2.096
160 HG12 VAL 24 2HG1 VAL 24 -0.391 -12.210 -2.793
161 HG13 VAL 24 3HG1 VAL 24 0.996 -11.346 -3.459
162 HG21 VAL 24 3HG2 VAL 24 2.086 -9.557 -2.157
163 HG22 VAL 24 1HG2 VAL 24 0.631 -8.981 -2.969
164 HG23 VAL 24 2HG2 VAL 24 0.926 -8.558 -1.282
165 H SER 25 H SER 25 -1.376 -9.809 1.011
166 HA SER 25 HA SER 25 -2.480 -7.190 0.870
167 HB2 SER 25 1HB SER 25 -2.928 -8.597 2.799
168 HB3 SER 25 2HB SER 25 -1.207 -8.683 3.176
169 HG SER 25 HG SER 25 -3.014 -6.772 3.819
170 H SER 26 H SER 26 0.726 -8.376 1.880
171 HA SER 26 HA SER 26 2.026 -6.084 2.477
172 HB2 SER 26 1HB SER 26 3.244 -8.117 2.627
173 HB3 SER 26 2HB SER 26 3.014 -8.470 0.914
174 HG SER 26 HG SER 26 4.885 -6.880 2.154
175 H HIS 27 H HIS 27 2.469 -7.415 -0.789
176 HA HIS 27 HA HIS 27 3.503 -5.340 -2.108
177 HB2 HIS 27 1HB HIS 27 1.242 -7.082 -3.108
178 HB3 HIS 27 2HB HIS 27 2.234 -6.054 -4.139
179 HD2 HIS 27 HD2 HIS 27 4.511 -7.667 -1.616
180 HE1 HIS 27 HE1 HIS 27 4.488 -10.259 -4.974
181 HE2 HIS 27 HE2 HIS 27 5.559 -9.739 -2.755
182 H LEU 28 H LEU 28 -0.032 -5.735 -1.804
183 HA LEU 28 HA LEU 28 -0.810 -3.345 -2.939
184 HB2 LEU 28 1HB LEU 28 -2.509 -4.867 -2.473
185 HB3 LEU 28 2HB LEU 28 -2.006 -5.056 -0.795
186 HG LEU 28 HG LEU 28 -2.875 -2.822 -0.285
187 HD11 LEU 28 1HD1 LEU 28 -4.334 -2.602 -2.830
188 HD12 LEU 28 2HD1 LEU 28 -2.602 -2.279 -2.914
189 HD13 LEU 28 3HD1 LEU 28 -3.620 -1.350 -1.813
190 HD21 LEU 28 3HD2 LEU 28 -4.390 -4.578 0.133
191 HD22 LEU 28 1HD2 LEU 28 -4.738 -4.793 -1.582
192 HD23 LEU 28 2HD2 LEU 28 -5.314 -3.354 -0.740
193 H VAL 29 H VAL 29 0.092 -3.989 0.426
194 HA VAL 29 HA VAL 29 -0.501 -1.499 1.519
195 HB VAL 29 HB VAL 29 1.743 -3.379 2.266
196 HG11 VAL 29 1HG1 VAL 29 2.347 -1.413 3.322
197 HG12 VAL 29 2HG1 VAL 29 0.674 -0.901 3.553
198 HG13 VAL 29 3HG1 VAL 29 1.346 -2.197 4.544
199 HG21 VAL 29 3HG2 VAL 29 0.000 -4.694 2.802
200 HG22 VAL 29 1HG2 VAL 29 -0.163 -3.616 4.188
201 HG23 VAL 29 2HG2 VAL 29 -1.152 -3.359 2.750
202 H GLN 30 H GLN 30 2.580 -2.644 0.147
203 HA GLN 30 HA GLN 30 3.994 -0.245 0.486
204 HB2 GLN 30 1HB GLN 30 4.375 -2.406 -1.594
205 HB3 GLN 30 2HB GLN 30 5.543 -1.145 -1.219
206 HG2 GLN 30 1HG GLN 30 4.647 -3.420 0.521
207 HG3 GLN 30 2HG GLN 30 6.263 -3.089 -0.101
208 HE21 GLN 30 1HE2 GLN 30 3.807 -2.069 2.173
209 HE22 GLN 30 2HE2 GLN 30 4.866 -1.195 3.221
210 H HIS 31 H HIS 31 1.671 -1.236 -1.887
211 HA HIS 31 HA HIS 31 2.355 0.797 -3.804
212 HB2 HIS 31 1HB HIS 31 1.351 -0.959 -4.894
213 HB3 HIS 31 2HB HIS 31 0.253 -1.300 -3.561
214 HD1 HIS 31 HD1 HIS 31 0.667 1.018 -6.502
215 HD2 HIS 31 HD2 HIS 31 -2.227 -0.108 -3.742
216 HE1 HIS 31 HE1 HIS 31 -1.478 2.044 -7.321
217 H HIS 32 H HIS 32 0.406 0.593 -0.979
218 HA HIS 32 HA HIS 32 -1.422 2.685 -1.583
219 HB2 HIS 32 1HB HIS 32 -0.604 1.219 0.888
220 HB3 HIS 32 2HB HIS 32 -1.504 2.723 1.061
221 HD2 HIS 32 HD2 HIS 32 -2.474 -0.693 1.310
222 HE1 HIS 32 HE1 HIS 32 -5.496 0.875 -1.222
223 HE2 HIS 32 HE2 HIS 32 -4.852 -0.994 0.339
224 H SER 33 H SER 33 1.829 2.808 -1.265
225 HA SER 33 HA SER 33 1.789 5.511 -0.092
226 HB2 SER 33 1HB SER 33 3.171 3.670 1.044
227 HB3 SER 33 2HB SER 33 4.247 3.783 -0.349
228 HG SER 33 HG SER 33 3.549 6.163 0.915
229 H VAL 34 H VAL 34 1.643 4.159 -2.972
230 HA VAL 34 HA VAL 34 3.783 5.583 -4.313
231 HB VAL 34 HB VAL 34 3.061 4.554 -6.324
232 HG11 VAL 34 1HG1 VAL 34 4.167 2.867 -5.270
233 HG12 VAL 34 2HG1 VAL 34 3.067 2.858 -3.890
234 HG13 VAL 34 3HG1 VAL 34 2.582 2.107 -5.411
235 HG21 VAL 34 3HG2 VAL 34 0.862 3.061 -6.032
236 HG22 VAL 34 1HG2 VAL 34 0.468 4.364 -4.911
237 HG23 VAL 34 2HG2 VAL 34 0.815 4.729 -6.601
238 H HIS 35 H HIS 35 0.404 5.997 -3.620
239 HA HIS 35 HA HIS 35 -0.018 8.062 -5.579
240 HB2 HIS 35 1HB HIS 35 -1.750 7.497 -3.175
241 HB3 HIS 35 2HB HIS 35 -2.223 8.236 -4.702
242 HD1 HIS 35 HD1 HIS 35 -1.600 6.377 -6.818
243 HD2 HIS 35 HD2 HIS 35 -2.693 4.981 -3.061
244 HE1 HIS 35 HE1 HIS 35 -2.408 4.023 -7.184
245 H SER 36 H SER 36 0.468 7.937 -2.069
246 HA SER 36 HA SER 36 0.277 10.754 -1.698
247 HB2 SER 36 1HB SER 36 1.328 10.227 0.548
248 HB3 SER 36 2HB SER 36 -0.170 9.366 0.194
249 HG SER 36 HG SER 36 1.484 7.998 1.039
250 H GLY 37 H GLY 37 1.671 11.796 -3.102
251 HA2 GLY 37 1HA GLY 37 4.218 12.423 -2.241
252 HA3 GLY 37 2HA GLY 37 4.422 11.094 -3.373
253 H GLU 38 H GLU 38 5.670 12.698 -4.592
254 HA GLU 38 HA GLU 38 3.895 14.269 -6.332
255 HB2 GLU 38 1HB GLU 38 5.632 16.027 -6.460
256 HB3 GLU 38 2HB GLU 38 4.962 15.851 -4.845
257 HG2 GLU 38 1HG GLU 38 7.553 14.611 -5.730
258 HG3 GLU 38 2HG GLU 38 7.428 16.172 -4.923
259 H ARG 39 H ARG 39 5.191 14.995 -8.356
260 HA ARG 39 HA ARG 39 7.160 13.010 -9.191
261 HB2 ARG 39 1HB ARG 39 4.522 13.463 -10.591
262 HB3 ARG 39 2HB ARG 39 5.888 12.638 -11.330
263 HG2 ARG 39 1HG ARG 39 4.928 11.659 -8.698
264 HG3 ARG 39 2HG ARG 39 3.947 11.322 -10.126
265 HD2 ARG 39 1HD ARG 39 6.871 10.653 -9.810
266 HD3 ARG 39 2HD ARG 39 5.539 9.512 -9.635
267 HE ARG 39 HE ARG 39 5.542 10.860 -12.165
268 HH11 ARG 39 1HH1 ARG 39 6.866 8.191 -10.363
269 HH12 ARG 39 2HH1 ARG 39 7.211 7.242 -11.771
270 HH21 ARG 39 1HH2 ARG 39 5.991 9.620 -14.026
271 HH22 ARG 39 2HH2 ARG 39 6.714 8.056 -13.854
272 HA PRO 40 HA PRO 40 8.952 16.530 -11.133
273 HB2 PRO 40 1HB PRO 40 10.553 15.264 -12.924
274 HB3 PRO 40 2HB PRO 40 10.902 15.316 -11.192
275 HG2 PRO 40 1HG PRO 40 9.646 13.130 -12.806
276 HG3 PRO 40 2HG PRO 40 10.873 13.016 -11.531
277 HD2 PRO 40 1HD PRO 40 8.254 12.492 -11.085
278 HD3 PRO 40 2HD PRO 40 9.314 13.188 -9.842
279 H SER 41 H SER 41 7.850 17.808 -12.473
280 HA SER 41 HA SER 41 7.516 17.110 -15.235
281 HB2 SER 41 1HB SER 41 5.036 17.417 -15.246
282 HB3 SER 41 2HB SER 41 5.556 15.966 -14.388
283 HG SER 41 HG SER 41 4.190 16.861 -12.985
284 H GLY 42 H GLY 42 7.801 18.904 -16.386
285 HA2 GLY 42 1HA GLY 42 7.401 21.489 -15.027
286 HA3 GLY 42 2HA GLY 42 8.535 21.206 -16.339
287 HA PRO 43 HA PRO 43 3.955 21.778 -17.936
288 HB2 PRO 43 1HB PRO 43 2.767 23.855 -16.654
289 HB3 PRO 43 2HB PRO 43 2.587 22.175 -16.133
290 HG2 PRO 43 1HG PRO 43 4.398 24.306 -15.064
291 HG3 PRO 43 2HG PRO 43 3.423 23.118 -14.179
292 HD2 PRO 43 1HD PRO 43 6.081 22.807 -14.587
293 HD3 PRO 43 2HD PRO 43 4.962 21.432 -14.496
294 H SER 44 H SER 44 4.750 22.605 -19.801
295 HA SER 44 HA SER 44 5.744 25.367 -19.805
296 HB2 SER 44 1HB SER 44 7.264 23.727 -20.784
297 HB3 SER 44 2HB SER 44 6.001 23.183 -21.888
298 HG SER 44 HG SER 44 7.448 25.593 -21.883
299 H SER 45 H SER 45 4.250 26.843 -20.236
300 HA SER 45 HA SER 45 2.150 26.191 -22.196
301 HB2 SER 45 1HB SER 45 2.135 27.992 -19.779
302 HB3 SER 45 2HB SER 45 0.928 28.147 -21.056
303 HG SER 45 HG SER 45 1.284 26.132 -19.172
304 H GLY 46 H GLY 46 4.199 28.846 -21.007
305 HA2 GLY 46 1HA GLY 46 3.654 30.835 -22.782
306 HA3 GLY 46 2HA GLY 46 5.276 30.510 -22.190