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root/owl/trunk/src/owl/tests/core/structure/data/1bxyA_tinker.pdb
Revision: 1308
Committed: Fri Jan 28 18:44:21 2011 UTC (9 years, 5 months ago) by jmduarteg
File size: 55464 byte(s)
Log Message:
Fixed important bug that broke the reconstruction programs. Tinker output files don't contain occupancy/bfactors. Thus we have to make their parsing optional. Added a test case for this.
Line File contents
1 HEADER Unfolded chain created by tinker's protein program
2 COMPND
3 SOURCE
4 ATOM 1 N MET 1 0.000 0.000 0.000
5 ATOM 2 CA MET 1 0.000 0.000 1.500
6 ATOM 3 C MET 1 1.413 0.000 2.034
7 ATOM 4 O MET 1 2.283 -0.728 1.585
8 ATOM 5 CB MET 1 -0.698 -1.273 2.014
9 ATOM 6 CG MET 1 -0.698 -1.273 3.554
10 ATOM 7 SD MET 1 -1.524 -2.782 4.147
11 ATOM 8 CE MET 1 -1.332 -2.431 5.922
12 ATOM 9 H1 MET 1 -0.680 0.680 -0.340
13 ATOM 10 H2 MET 1 -0.277 -0.921 -0.340
14 ATOM 11 H3 MET 1 0.921 0.277 -0.340
15 ATOM 12 HA MET 1 -0.505 0.917 1.871
16 ATOM 13 HB2 MET 1 -0.152 -2.167 1.645
17 ATOM 14 HB3 MET 1 -1.744 -1.294 1.645
18 ATOM 15 HG2 MET 1 -1.197 -0.353 3.923
19 ATOM 16 HG3 MET 1 0.347 -1.199 3.923
20 ATOM 17 HE1 MET 1 -1.771 -3.232 6.554
21 ATOM 18 HE2 MET 1 -1.777 -1.454 6.203
22 ATOM 19 HE3 MET 1 -0.269 -2.280 6.203
23 ATOM 20 N PRO 2 1.587 0.874 3.034
24 ATOM 21 CA PRO 2 2.886 1.023 3.684
25 ATOM 22 C PRO 2 2.753 1.073 5.188
26 ATOM 23 O PRO 2 1.905 1.747 5.749
27 ATOM 24 CB PRO 2 3.494 2.345 3.178
28 ATOM 25 CG PRO 2 2.479 2.960 2.197
29 ATOM 26 CD PRO 2 1.278 1.999 2.129
30 ATOM 27 HA PRO 2 3.531 0.157 3.427
31 ATOM 28 HB2 PRO 2 4.443 2.133 2.643
32 ATOM 29 HB3 PRO 2 3.642 3.034 4.036
33 ATOM 30 HG2 PRO 2 2.942 3.043 1.192
34 ATOM 31 HG3 PRO 2 2.142 3.944 2.584
35 ATOM 32 HD2 PRO 2 1.169 1.618 1.092
36 ATOM 33 HD3 PRO 2 0.367 2.521 2.488
37 ATOM 34 N ARG 3 3.656 0.305 5.812
38 ATOM 35 CA ARG 3 3.690 0.218 7.269
39 ATOM 36 C ARG 3 5.100 0.323 7.799
40 ATOM 37 O ARG 3 6.033 -0.288 7.305
41 ATOM 38 CB ARG 3 3.119 -1.140 7.717
42 ATOM 39 CG ARG 3 3.155 -1.231 9.254
43 ATOM 40 CD ARG 3 2.583 -2.590 9.702
44 ATOM 41 NE ARG 3 2.617 -2.675 11.149
45 ATOM 42 CZ ARG 3 2.163 -3.785 11.770
46 ATOM 43 NH1 ARG 3 2.195 -3.865 13.117
47 ATOM 44 NH2 ARG 3 1.677 -4.814 11.044
48 ATOM 45 H ARG 3 4.319 -0.218 5.239
49 ATOM 46 HA ARG 3 3.099 1.051 7.704
50 ATOM 47 HB2 ARG 3 3.731 -1.959 7.285
51 ATOM 48 HB3 ARG 3 2.069 -1.232 7.367
52 ATOM 49 HG2 ARG 3 2.542 -0.413 9.687
53 ATOM 50 HG3 ARG 3 4.204 -1.139 9.604
54 ATOM 51 HD2 ARG 3 3.196 -3.408 9.269
55 ATOM 52 HD3 ARG 3 1.534 -2.682 9.352
56 ATOM 53 HE ARG 3 2.984 -1.898 11.698
57 ATOM 54 HH11 ARG 3 1.852 -4.703 13.587
58 ATOM 55 HH12 ARG 3 2.562 -3.087 13.666
59 ATOM 56 HH21 ARG 3 1.334 -5.652 11.513
60 ATOM 57 HH22 ARG 3 1.653 -4.753 10.026
61 ATOM 58 N LEU 4 5.197 1.147 8.851
62 ATOM 59 CA LEU 4 6.480 1.382 9.507
63 ATOM 60 C LEU 4 6.355 1.327 11.011
64 ATOM 61 O LEU 4 5.450 1.881 11.614
65 ATOM 62 CB LEU 4 7.002 2.781 9.129
66 ATOM 63 CG LEU 4 8.356 3.029 9.821
67 ATOM 64 CD1 LEU 4 8.878 4.428 9.443
68 ATOM 65 CD2 LEU 4 8.176 2.945 11.348
69 ATOM 66 H LEU 4 4.348 1.606 9.180
70 ATOM 67 HA LEU 4 7.204 0.600 9.196
71 ATOM 68 HB2 LEU 4 6.273 3.549 9.461
72 ATOM 69 HB3 LEU 4 7.134 2.841 8.029
73 ATOM 70 HG LEU 4 9.085 2.261 9.488
74 ATOM 71 HD11 LEU 4 9.853 4.604 9.942
75 ATOM 72 HD12 LEU 4 8.149 5.195 9.776
76 ATOM 73 HD13 LEU 4 9.010 4.487 8.343
77 ATOM 74 HD21 LEU 4 9.152 3.124 11.844
78 ATOM 75 HD22 LEU 4 7.803 1.936 11.620
79 ATOM 76 HD23 LEU 4 7.448 3.716 11.676
80 ATOM 77 N LYS 5 7.333 0.614 11.585
81 ATOM 78 CA LYS 5 7.387 0.442 13.034
82 ATOM 79 C LYS 5 8.784 0.652 13.567
83 ATOM 80 O LYS 5 9.768 0.166 13.034
84 ATOM 81 CB LYS 5 6.953 -0.989 13.399
85 ATOM 82 CG LYS 5 7.010 -1.170 14.927
86 ATOM 83 CD LYS 5 6.577 -2.602 15.292
87 ATOM 84 CE LYS 5 6.633 -2.783 16.820
88 ATOM 85 NZ LYS 5 6.211 -4.178 17.176
89 ATOM 86 H LYS 5 8.039 0.194 10.980
90 ATOM 87 HA LYS 5 6.722 1.186 13.520
91 ATOM 88 HB2 LYS 5 7.639 -1.717 12.916
92 ATOM 89 HB3 LYS 5 5.915 -1.162 13.046
93 ATOM 90 HG2 LYS 5 6.325 -0.443 15.410
94 ATOM 91 HG3 LYS 5 8.048 -0.998 15.281
95 ATOM 92 HD2 LYS 5 7.262 -3.329 14.809
96 ATOM 93 HD3 LYS 5 5.538 -2.774 14.939
97 ATOM 94 HE2 LYS 5 5.938 -2.065 17.303
98 ATOM 95 HE3 LYS 5 7.674 -2.624 17.172
99 ATOM 96 HZ1 LYS 5 6.249 -4.297 18.188
100 ATOM 97 HZ2 LYS 5 6.838 -4.847 16.730
101 ATOM 98 HZ3 LYS 5 5.258 -4.338 16.849
102 ATOM 99 N VAL 6 8.809 1.416 14.667
103 ATOM 100 CA VAL 6 10.069 1.734 15.334
104 ATOM 101 C VAL 6 9.961 1.576 16.831
105 ATOM 102 O VAL 6 9.011 2.001 17.469
106 ATOM 103 CB VAL 6 10.449 3.198 15.041
107 ATOM 104 CG1 VAL 6 11.778 3.533 15.744
108 ATOM 105 CG2 VAL 6 10.607 3.394 13.522
109 ATOM 106 H VAL 6 7.921 1.769 15.025
110 ATOM 107 HA VAL 6 10.862 1.046 14.974
111 ATOM 108 HB VAL 6 9.651 3.869 15.421
112 ATOM 109 HG11 VAL 6 12.051 4.588 15.532
113 ATOM 110 HG12 VAL 6 12.576 2.862 15.363
114 ATOM 111 HG13 VAL 6 11.661 3.395 16.839
115 ATOM 112 HG21 VAL 6 10.882 4.449 13.313
116 ATOM 113 HG22 VAL 6 9.648 3.156 13.018
117 ATOM 114 HG23 VAL 6 11.407 2.724 13.145
118 ATOM 115 N LYS 7 11.008 0.927 17.359
119 ATOM 116 CA LYS 7 11.089 0.674 18.795
120 ATOM 117 C LYS 7 12.464 0.986 19.337
121 ATOM 118 O LYS 7 13.486 0.631 18.774
122 ATOM 119 CB LYS 7 10.800 -0.812 19.072
123 ATOM 120 CG LYS 7 10.886 -1.079 20.586
124 ATOM 121 CD LYS 7 10.596 -2.566 20.864
125 ATOM 122 CE LYS 7 10.682 -2.833 22.378
126 ATOM 123 NZ LYS 7 10.400 -4.281 22.648
127 ATOM 124 H LYS 7 11.746 0.616 16.728
128 ATOM 125 HA LYS 7 10.359 1.319 19.327
129 ATOM 126 HB2 LYS 7 11.549 -1.439 18.544
130 ATOM 127 HB3 LYS 7 9.780 -1.063 18.711
131 ATOM 128 HG2 LYS 7 10.137 -0.453 21.114
132 ATOM 129 HG3 LYS 7 11.905 -0.829 20.948
133 ATOM 130 HD2 LYS 7 11.345 -3.193 20.336
134 ATOM 131 HD3 LYS 7 9.577 -2.817 20.502
135 ATOM 132 HE2 LYS 7 9.924 -2.217 22.905
136 ATOM 133 HE3 LYS 7 11.705 -2.595 22.737
137 ATOM 134 HZ1 LYS 7 10.457 -4.458 23.651
138 ATOM 135 HZ2 LYS 7 11.085 -4.859 22.161
139 ATOM 136 HZ3 LYS 7 9.464 -4.514 22.314
140 ATOM 137 N LEU 8 12.423 1.681 20.482
141 ATOM 138 CA LEU 8 13.651 2.079 21.164
142 ATOM 139 C LEU 8 13.571 1.819 22.650
143 ATOM 140 O LEU 8 12.590 2.111 23.314
144 ATOM 141 CB LEU 8 13.886 3.587 20.962
145 ATOM 142 CG LEU 8 15.181 4.007 21.681
146 ATOM 143 CD1 LEU 8 15.416 5.515 21.478
147 ATOM 144 CD2 LEU 8 15.054 3.707 23.186
148 ATOM 145 H LEU 8 11.509 1.923 20.863
149 ATOM 146 HA LEU 8 14.505 1.494 20.762
150 ATOM 147 HB2 LEU 8 13.030 4.153 21.383
151 ATOM 148 HB3 LEU 8 13.980 3.803 19.877
152 ATOM 149 HG LEU 8 16.038 3.441 21.259
153 ATOM 150 HD11 LEU 8 16.350 5.816 21.998
154 ATOM 151 HD12 LEU 8 14.560 6.082 21.901
155 ATOM 152 HD13 LEU 8 15.511 5.731 20.394
156 ATOM 153 HD21 LEU 8 15.988 4.010 23.703
157 ATOM 154 HD22 LEU 8 14.888 2.619 23.332
158 ATOM 155 HD23 LEU 8 14.199 4.278 23.605
159 ATOM 156 N VAL 9 14.680 1.245 23.135
160 ATOM 157 CA VAL 9 14.797 0.914 24.552
161 ATOM 158 C VAL 9 16.139 1.324 25.110
162 ATOM 159 O VAL 9 17.187 1.106 24.524
163 ATOM 160 CB VAL 9 14.655 -0.608 24.738
164 ATOM 161 CG1 VAL 9 14.778 -0.957 26.233
165 ATOM 162 CG2 VAL 9 13.280 -1.063 24.216
166 ATOM 163 H VAL 9 15.440 1.046 22.485
167 ATOM 164 HA VAL 9 14.012 1.451 25.124
168 ATOM 165 HB VAL 9 15.457 -1.125 24.172
169 ATOM 166 HG11 VAL 9 14.676 -2.054 26.365
170 ATOM 167 HG12 VAL 9 13.976 -0.440 26.800
171 ATOM 168 HG13 VAL 9 15.772 -0.632 26.607
172 ATOM 169 HG21 VAL 9 13.179 -2.160 24.351
173 ATOM 170 HG22 VAL 9 13.194 -0.815 23.137
174 ATOM 171 HG23 VAL 9 12.479 -0.547 24.786
175 ATOM 172 N LYS 10 16.040 1.941 26.295
176 ATOM 173 CA LYS 10 17.229 2.414 26.998
177 ATOM 174 C LYS 10 17.186 2.059 28.465
178 ATOM 175 O LYS 10 16.187 2.213 29.148
179 ATOM 176 CB LYS 10 17.315 3.948 26.888
180 ATOM 177 CG LYS 10 18.569 4.447 27.629
181 ATOM 178 CD LYS 10 18.655 5.981 27.519
182 ATOM 179 CE LYS 10 19.909 6.480 28.261
183 ATOM 180 NZ LYS 10 19.992 7.974 28.153
184 ATOM 181 H LYS 10 15.109 2.070 26.692
185 ATOM 182 HA LYS 10 18.132 1.942 26.559
186 ATOM 183 HB2 LYS 10 16.411 4.402 27.345
187 ATOM 184 HB3 LYS 10 17.379 4.238 25.818
188 ATOM 185 HG2 LYS 10 19.473 3.994 27.172
189 ATOM 186 HG3 LYS 10 18.505 4.158 28.699
190 ATOM 187 HD2 LYS 10 17.751 6.435 27.977
191 ATOM 188 HD3 LYS 10 18.719 6.271 26.450
192 ATOM 189 HE2 LYS 10 20.814 6.037 27.795
193 ATOM 190 HE3 LYS 10 19.838 6.202 29.333
194 ATOM 191 HZ1 LYS 10 20.823 8.305 28.644
195 ATOM 192 HZ2 LYS 10 19.161 8.393 28.570
196 ATOM 193 HZ3 LYS 10 20.048 8.242 27.171
197 ATOM 194 N SER 11 18.349 1.567 28.912
198 ATOM 195 CA SER 11 18.509 1.163 30.306
199 ATOM 196 C SER 11 19.809 1.667 30.885
200 ATOM 197 O SER 11 20.869 1.587 30.285
201 ATOM 198 CB SER 11 18.517 -0.374 30.399
202 ATOM 199 OG SER 11 18.672 -0.716 31.758
203 ATOM 200 H SER 11 19.120 1.482 28.249
204 ATOM 201 HA SER 11 17.680 1.586 30.911
205 ATOM 202 HB2 SER 11 19.406 -0.771 29.866
206 ATOM 203 HB3 SER 11 17.528 -0.767 30.082
207 ATOM 204 HG SER 11 18.676 -1.655 31.805
208 ATOM 205 N PRO 12 19.660 2.198 32.107
209 ATOM 206 CA PRO 12 20.803 2.741 32.835
210 ATOM 207 C PRO 12 20.806 2.294 34.277
211 ATOM 208 O PRO 12 19.802 2.308 34.970
212 ATOM 209 CB PRO 12 20.689 4.276 32.772
213 ATOM 210 CG PRO 12 19.417 4.600 31.967
214 ATOM 211 CD PRO 12 18.787 3.255 31.559
215 ATOM 212 HA PRO 12 21.744 2.386 32.366
216 ATOM 213 HB2 PRO 12 21.574 4.690 32.246
217 ATOM 214 HB3 PRO 12 20.588 4.680 33.801
218 ATOM 215 HG2 PRO 12 19.693 5.170 31.056
219 ATOM 216 HG3 PRO 12 18.706 5.160 32.611
220 ATOM 217 HD2 PRO 12 18.766 3.179 30.452
221 ATOM 218 HD3 PRO 12 17.777 3.169 32.011
222 ATOM 219 N ILE 13 22.015 1.892 34.691
223 ATOM 220 CA ILE 13 22.224 1.422 36.058
224 ATOM 221 C ILE 13 23.474 2.013 36.664
225 ATOM 222 O ILE 13 24.531 2.074 36.058
226 ATOM 223 CB ILE 13 22.328 -0.115 36.063
227 ATOM 224 CG1 ILE 13 22.549 -0.611 37.504
228 ATOM 225 CG2 ILE 13 23.513 -0.553 35.182
229 ATOM 226 CD1 ILE 13 22.653 -2.147 37.509
230 ATOM 227 H ILE 13 22.785 1.923 34.023
231 ATOM 228 HA ILE 13 21.363 1.723 36.689
232 ATOM 229 HB ILE 13 21.388 -0.549 35.663
233 ATOM 230 HG12 ILE 13 21.692 -0.297 38.137
234 ATOM 231 HG13 ILE 13 23.489 -0.176 37.904
235 ATOM 232 HG21 ILE 13 23.363 -0.200 34.140
236 ATOM 233 HG22 ILE 13 23.596 -1.660 35.179
237 ATOM 234 HG23 ILE 13 24.458 -0.124 35.576
238 ATOM 235 HD11 ILE 13 22.812 -2.514 38.544
239 ATOM 236 HD12 ILE 13 23.505 -2.472 36.876
240 ATOM 237 HD13 ILE 13 21.718 -2.592 37.107
241 ATOM 238 N GLY 14 23.284 2.452 37.916
242 ATOM 239 CA GLY 14 24.374 3.058 38.674
243 ATOM 240 C GLY 14 24.432 2.527 40.086
244 ATOM 241 O GLY 14 23.437 2.401 40.781
245 ATOM 242 H GLY 14 22.354 2.349 38.323
246 ATOM 243 HA2 GLY 14 25.342 2.825 38.182
247 ATOM 244 HA3 GLY 14 24.222 4.156 38.729
248 ATOM 245 N TYR 15 25.678 2.219 40.473
249 ATOM 246 CA TYR 15 25.942 1.690 41.807
250 ATOM 247 C TYR 15 27.133 2.362 42.446
251 ATOM 248 O TYR 15 28.175 2.562 41.843
252 ATOM 249 CB TYR 15 26.247 0.183 41.711
253 ATOM 250 CG TYR 15 26.519 -0.361 43.082
254 ATOM 251 CD1 TYR 15 25.474 -0.859 43.852
255 ATOM 252 CD2 TYR 15 27.815 -0.368 43.584
256 ATOM 253 CE1 TYR 15 25.725 -1.363 45.123
257 ATOM 254 CE2 TYR 15 28.067 -0.872 44.854
258 ATOM 255 CZ TYR 15 27.022 -1.370 45.624
259 ATOM 256 OH TYR 15 27.268 -1.863 46.867
260 ATOM 257 H TYR 15 26.436 2.366 39.806
261 ATOM 258 HA TYR 15 25.060 1.867 42.458
262 ATOM 259 HB2 TYR 15 27.139 0.028 41.070
263 ATOM 260 HB3 TYR 15 25.374 -0.343 41.272
264 ATOM 261 HD1 TYR 15 24.448 -0.854 43.456
265 ATOM 262 HD2 TYR 15 28.642 0.026 42.975
266 ATOM 263 HE1 TYR 15 24.898 -1.757 45.732
267 ATOM 264 HE2 TYR 15 29.093 -0.877 45.251
268 ATOM 265 HH TYR 15 28.219 -1.784 47.038
269 ATOM 266 N PRO 16 26.911 2.703 43.723
270 ATOM 267 CA PRO 16 27.944 3.365 44.515
271 ATOM 268 C PRO 16 28.064 2.757 45.892
272 ATOM 269 O PRO 16 27.091 2.493 46.579
273 ATOM 270 CB PRO 16 27.535 4.845 44.640
274 ATOM 271 CG PRO 16 26.208 5.012 43.878
275 ATOM 272 CD PRO 16 25.840 3.629 43.307
276 ATOM 273 HA PRO 16 28.925 3.258 44.008
277 ATOM 274 HB2 PRO 16 28.313 5.483 44.170
278 ATOM 275 HB3 PRO 16 27.380 5.095 45.710
279 ATOM 276 HG2 PRO 16 26.349 5.729 43.043
280 ATOM 277 HG3 PRO 16 25.417 5.342 44.583
281 ATOM 278 HD2 PRO 16 25.809 3.684 42.199
282 ATOM 279 HD3 PRO 16 24.874 3.296 43.743
283 ATOM 280 N LYS 17 29.336 2.549 46.256
284 ATOM 281 CA LYS 17 29.661 1.968 47.555
285 ATOM 282 C LYS 17 30.787 2.713 48.232
286 ATOM 283 O LYS 17 31.799 3.049 47.641
287 ATOM 284 CB LYS 17 30.110 0.507 47.367
288 ATOM 285 CG LYS 17 30.453 -0.107 48.737
289 ATOM 286 CD LYS 17 30.902 -1.568 48.548
290 ATOM 287 CE LYS 17 31.244 -2.181 49.919
291 ATOM 288 NZ LYS 17 31.682 -3.604 49.735
292 ATOM 289 H LYS 17 30.071 2.809 45.599
293 ATOM 290 HA LYS 17 28.771 2.019 48.217
294 ATOM 291 HB2 LYS 17 31.008 0.478 46.715
295 ATOM 292 HB3 LYS 17 29.288 -0.074 46.898
296 ATOM 293 HG2 LYS 17 29.555 -0.078 49.389
297 ATOM 294 HG3 LYS 17 31.274 0.474 49.206
298 ATOM 295 HD2 LYS 17 31.800 -1.596 47.897
299 ATOM 296 HD3 LYS 17 30.080 -2.148 48.079
300 ATOM 297 HE2 LYS 17 30.342 -2.165 50.566
301 ATOM 298 HE3 LYS 17 32.075 -1.609 50.382
302 ATOM 299 HZ1 LYS 17 31.908 -4.011 50.642
303 ATOM 300 HZ2 LYS 17 32.505 -3.633 49.134
304 ATOM 301 HZ3 LYS 17 30.929 -4.139 49.301
305 ATOM 302 N ASP 18 30.543 2.952 49.528
306 ATOM 303 CA ASP 18 31.512 3.662 50.357
307 ATOM 304 C ASP 18 31.701 2.986 51.694
308 ATOM 305 O ASP 18 30.764 2.588 52.365
309 ATOM 306 CB ASP 18 31.012 5.095 50.620
310 ATOM 307 CG ASP 18 32.040 5.793 51.478
311 ATOM 308 OD1 ASP 18 31.803 6.978 51.798
312 ATOM 309 OD2 ASP 18 33.050 5.132 51.804
313 ATOM 310 H ASP 18 29.659 2.624 49.917
314 ATOM 311 HA ASP 18 32.496 3.682 49.842
315 ATOM 312 HB2 ASP 18 30.061 5.054 51.192
316 ATOM 313 HB3 ASP 18 30.941 5.644 49.658
317 ATOM 314 N GLN 19 32.991 2.881 52.042
318 ATOM 315 CA GLN 19 33.381 2.256 53.303
319 ATOM 316 C GLN 19 34.434 3.064 54.022
320 ATOM 317 O GLN 19 35.405 3.533 53.450
321 ATOM 318 CB GLN 19 33.968 0.860 53.024
322 ATOM 319 CG GLN 19 34.379 0.200 54.353
323 ATOM 320 CD GLN 19 34.948 -1.162 54.036
324 ATOM 321 OE1 GLN 19 35.359 -1.918 54.901
325 ATOM 322 NE2 GLN 19 35.141 -1.349 52.724
326 ATOM 323 H GLN 19 33.692 3.251 51.400
327 ATOM 324 HA GLN 19 32.496 2.180 53.968
328 ATOM 325 HB2 GLN 19 34.859 0.958 52.370
329 ATOM 326 HB3 GLN 19 33.203 0.232 52.522
330 ATOM 327 HG2 GLN 19 33.479 0.055 54.987
331 ATOM 328 HG3 GLN 19 35.180 0.802 54.831
332 ATOM 329 HE21 GLN 19 34.903 -0.597 52.077
333 ATOM 330 HE22 GLN 19 35.282 -2.297 52.374
334 ATOM 331 N LYS 20 34.178 3.200 55.330
335 ATOM 332 CA LYS 20 35.081 3.949 56.199
336 ATOM 333 C LYS 20 35.345 3.215 57.492
337 ATOM 334 O LYS 20 34.456 2.687 58.139
338 ATOM 335 CB LYS 20 34.446 5.307 56.551
339 ATOM 336 CG LYS 20 35.398 6.098 57.468
340 ATOM 337 CD LYS 20 34.763 7.456 57.819
341 ATOM 338 CE LYS 20 35.715 8.247 58.736
342 ATOM 339 NZ LYS 20 35.097 9.569 59.079
343 ATOM 340 H LYS 20 33.334 2.764 55.701
344 ATOM 341 HA LYS 20 36.053 4.096 55.685
345 ATOM 342 HB2 LYS 20 33.483 5.139 57.077
346 ATOM 343 HB3 LYS 20 34.268 5.884 55.619
347 ATOM 344 HG2 LYS 20 36.361 6.266 56.942
348 ATOM 345 HG3 LYS 20 35.575 5.521 58.400
349 ATOM 346 HD2 LYS 20 33.800 7.288 58.345
350 ATOM 347 HD3 LYS 20 34.585 8.032 56.888
351 ATOM 348 HE2 LYS 20 36.673 8.426 58.206
352 ATOM 349 HE3 LYS 20 35.882 7.676 59.674
353 ATOM 350 HZ1 LYS 20 35.727 10.093 59.686
354 ATOM 351 HZ2 LYS 20 34.210 9.417 59.559
355 ATOM 352 HZ3 LYS 20 34.930 10.099 58.223
356 ATOM 353 N ALA 21 36.641 3.214 57.831
357 ATOM 354 CA ALA 21 37.100 2.554 59.050
358 ATOM 355 C ALA 21 38.075 3.416 59.815
359 ATOM 356 O ALA 21 38.991 4.011 59.271
360 ATOM 357 CB ALA 21 37.817 1.242 58.685
361 ATOM 358 H ALA 21 37.298 3.689 57.211
362 ATOM 359 HA ALA 21 36.231 2.353 59.711
363 ATOM 360 HB1 ALA 21 38.165 0.741 59.613
364 ATOM 361 HB2 ALA 21 38.690 1.466 58.038
365 ATOM 362 HB3 ALA 21 37.112 0.573 58.148
366 ATOM 363 N ALA 22 37.818 3.446 61.130
367 ATOM 364 CA ALA 22 38.650 4.226 62.042
368 ATOM 365 C ALA 22 38.994 3.443 63.286
369 ATOM 366 O ALA 22 38.166 2.793 63.902
370 ATOM 367 CB ALA 22 37.889 5.492 62.477
371 ATOM 368 H ALA 22 37.022 2.908 61.474
372 ATOM 369 HA ALA 22 39.600 4.497 61.536
373 ATOM 370 HB1 ALA 22 38.524 6.083 63.170
374 ATOM 371 HB2 ALA 22 36.952 5.199 62.994
375 ATOM 372 HB3 ALA 22 37.650 6.104 61.583
376 ATOM 373 N LEU 23 40.287 3.548 63.622
377 ATOM 374 CA LEU 23 40.817 2.863 64.797
378 ATOM 375 C LEU 23 41.711 3.768 65.612
379 ATOM 376 O LEU 23 42.560 4.480 65.104
380 ATOM 377 CB LEU 23 41.656 1.651 64.351
381 ATOM 378 CG LEU 23 42.215 0.928 65.591
382 ATOM 379 CD1 LEU 23 43.053 -0.284 65.145
383 ATOM 380 CD2 LEU 23 43.103 1.897 66.394
384 ATOM 381 H LEU 23 40.890 4.121 63.032
385 ATOM 382 HA LEU 23 39.978 2.538 65.446
386 ATOM 383 HB2 LEU 23 42.497 1.998 63.716
387 ATOM 384 HB3 LEU 23 41.015 0.952 63.775
388 ATOM 385 HG LEU 23 41.373 0.581 66.226
389 ATOM 386 HD11 LEU 23 43.455 -0.804 66.040
390 ATOM 387 HD12 LEU 23 43.895 0.063 64.511
391 ATOM 388 HD13 LEU 23 42.412 -0.984 64.569
392 ATOM 389 HD21 LEU 23 43.505 1.374 67.287
393 ATOM 390 HD22 LEU 23 42.498 2.769 66.718
394 ATOM 391 HD23 LEU 23 43.945 2.239 65.757
395 ATOM 392 N LYS 24 41.462 3.692 66.927
396 ATOM 393 CA LYS 24 42.222 4.492 67.883
397 ATOM 394 C LYS 24 42.650 3.673 69.077
398 ATOM 395 O LYS 24 41.893 2.908 69.653
399 ATOM 396 CB LYS 24 41.345 5.649 68.397
400 ATOM 397 CG LYS 24 42.147 6.493 69.405
401 ATOM 398 CD LYS 24 41.270 7.650 69.919
402 ATOM 399 CE LYS 24 42.072 8.494 70.928
403 ATOM 400 NZ LYS 24 41.218 9.621 71.428
404 ATOM 401 H LYS 24 40.725 3.060 67.239
405 ATOM 402 HA LYS 24 43.137 4.885 67.393
406 ATOM 403 HB2 LYS 24 40.444 5.236 68.896
407 ATOM 404 HB3 LYS 24 41.040 6.288 67.542
408 ATOM 405 HG2 LYS 24 43.048 6.906 68.906
409 ATOM 406 HG3 LYS 24 42.452 5.854 70.260
410 ATOM 407 HD2 LYS 24 40.369 7.237 70.418
411 ATOM 408 HD3 LYS 24 40.965 8.289 69.064
412 ATOM 409 HE2 LYS 24 42.966 8.918 70.425
413 ATOM 410 HE3 LYS 24 42.366 7.858 71.789
414 ATOM 411 HZ1 LYS 24 41.749 10.180 72.096
415 ATOM 412 HZ2 LYS 24 40.388 9.243 71.884
416 ATOM 413 HZ3 LYS 24 40.935 10.208 70.643
417 ATOM 414 N ALA 25 43.929 3.882 69.416
418 ATOM 415 CA ALA 25 44.532 3.182 70.546
419 ATOM 416 C ALA 25 45.340 4.118 71.413
420 ATOM 417 O ALA 25 46.113 4.939 70.948
421 ATOM 418 CB ALA 25 45.481 2.086 70.025
422 ATOM 419 H ALA 25 44.469 4.546 68.861
423 ATOM 420 HA ALA 25 43.733 2.738 71.176
424 ATOM 421 HB1 ALA 25 45.938 1.555 70.885
425 ATOM 422 HB2 ALA 25 46.280 2.552 69.412
426 ATOM 423 HB3 ALA 25 44.906 1.364 69.408
427 ATOM 424 N LEU 26 45.110 3.939 72.721
428 ATOM 425 CA LEU 26 45.796 4.749 73.723
429 ATOM 426 C LEU 26 46.311 3.904 74.863
430 ATOM 427 O LEU 26 45.637 3.036 75.393
431 ATOM 428 CB LEU 26 44.816 5.782 74.308
432 ATOM 429 CG LEU 26 45.540 6.637 75.365
433 ATOM 430 CD1 LEU 26 44.559 7.670 75.951
434 ATOM 431 CD2 LEU 26 46.059 5.727 76.494
435 ATOM 432 H LEU 26 44.440 3.220 72.996
436 ATOM 433 HA LEU 26 46.665 5.258 73.256
437 ATOM 434 HB2 LEU 26 43.963 5.253 74.783
438 ATOM 435 HB3 LEU 26 44.443 6.439 73.495
439 ATOM 436 HG LEU 26 46.393 7.165 74.891
440 ATOM 437 HD11 LEU 26 45.083 8.285 76.712
441 ATOM 438 HD12 LEU 26 43.707 7.141 76.426
442 ATOM 439 HD13 LEU 26 44.188 8.328 75.138
443 ATOM 440 HD21 LEU 26 46.580 6.344 77.255
444 ATOM 441 HD22 LEU 26 46.768 4.984 76.073
445 ATOM 442 HD23 LEU 26 45.202 5.203 76.969
446 ATOM 443 N GLY 27 47.567 4.216 75.212
447 ATOM 444 CA GLY 27 48.244 3.510 76.296
448 ATOM 445 C GLY 27 48.964 4.465 77.218
449 ATOM 446 O GLY 27 49.649 5.385 76.803
450 ATOM 447 H GLY 27 48.035 4.962 74.698
451 ATOM 448 HA2 GLY 27 47.496 2.953 76.899
452 ATOM 449 HA3 GLY 27 48.996 2.813 75.872
453 ATOM 450 N LEU 28 48.762 4.186 78.513
454 ATOM 451 CA LEU 28 49.375 4.996 79.561
455 ATOM 452 C LEU 28 49.978 4.138 80.647
456 ATOM 453 O LEU 28 49.395 3.178 81.123
457 ATOM 454 CB LEU 28 48.303 5.892 80.211
458 ATOM 455 CG LEU 28 48.949 6.747 81.317
459 ATOM 456 CD1 LEU 28 47.878 7.642 81.966
460 ATOM 457 CD2 LEU 28 49.563 5.825 82.387
461 ATOM 458 H LEU 28 48.168 3.390 78.744
462 ATOM 459 HA LEU 28 50.186 5.615 79.125
463 ATOM 460 HB2 LEU 28 47.509 5.255 80.653
464 ATOM 461 HB3 LEU 28 47.863 6.558 79.440
465 ATOM 462 HG LEU 28 49.743 7.384 80.874
466 ATOM 463 HD11 LEU 28 48.345 8.258 82.763
467 ATOM 464 HD12 LEU 28 47.084 7.005 82.410
468 ATOM 465 HD13 LEU 28 47.438 8.309 81.195
469 ATOM 466 HD21 LEU 28 50.028 6.443 83.183
470 ATOM 467 HD22 LEU 28 50.337 5.182 81.919
471 ATOM 468 HD23 LEU 28 48.765 5.192 82.830
472 ATOM 469 N ARG 29 51.200 4.549 81.012
473 ATOM 470 CA ARG 29 51.951 3.847 82.049
474 ATOM 471 C ARG 29 52.582 4.810 83.026
475 ATOM 472 O ARG 29 53.172 5.816 82.667
476 ATOM 473 CB ARG 29 53.081 3.027 81.400
477 ATOM 474 CG ARG 29 53.873 2.287 82.494
478 ATOM 475 CD ARG 29 55.003 1.466 81.845
479 ATOM 476 NE ARG 29 55.748 0.770 82.875
480 ATOM 477 CZ ARG 29 56.793 -0.017 82.538
481 ATOM 478 NH1 ARG 29 57.487 -0.665 83.497
482 ATOM 479 NH2 ARG 29 57.143 -0.154 81.242
483 ATOM 480 H ARG 29 51.590 5.366 80.543
484 ATOM 481 HA ARG 29 51.266 3.184 82.618
485 ATOM 482 HB2 ARG 29 53.762 3.708 80.849
486 ATOM 483 HB3 ARG 29 52.643 2.287 80.698
487 ATOM 484 HG2 ARG 29 53.191 1.605 83.045
488 ATOM 485 HG3 ARG 29 54.311 3.026 83.196
489 ATOM 486 HD2 ARG 29 55.684 2.148 81.294
490 ATOM 487 HD3 ARG 29 54.565 0.727 81.143
491 ATOM 488 HE ARG 29 55.484 0.873 83.855
492 ATOM 489 HH11 ARG 29 58.276 -1.259 83.242
493 ATOM 490 HH12 ARG 29 57.222 -0.561 84.477
494 ATOM 491 HH21 ARG 29 57.932 -0.748 80.987
495 ATOM 492 HH22 ARG 29 56.618 0.336 80.517
496 ATOM 493 N ARG 30 52.419 4.434 84.302
497 ATOM 494 CA ARG 30 52.958 5.235 85.397
498 ATOM 495 C ARG 30 53.650 4.375 86.426
499 ATOM 496 O ARG 30 53.167 3.335 86.844
500 ATOM 497 CB ARG 30 51.810 5.981 86.102
501 ATOM 498 CG ARG 30 52.378 6.826 87.257
502 ATOM 499 CD ARG 30 51.230 7.572 87.962
503 ATOM 500 NE ARG 30 51.766 8.367 89.050
504 ATOM 501 CZ ARG 30 50.938 9.111 89.813
505 ATOM 502 NH1 ARG 30 51.436 9.852 90.826
506 ATOM 503 NH2 ARG 30 49.611 9.114 89.564
507 ATOM 504 H ARG 30 51.906 3.571 84.485
508 ATOM 505 HA ARG 30 53.702 5.955 84.997
509 ATOM 506 HB2 ARG 30 51.085 5.244 86.506
510 ATOM 507 HB3 ARG 30 51.301 6.647 85.374
511 ATOM 508 HG2 ARG 30 53.103 7.563 86.852
512 ATOM 509 HG3 ARG 30 52.888 6.160 87.985
513 ATOM 510 HD2 ARG 30 50.505 6.835 88.367
514 ATOM 511 HD3 ARG 30 50.721 8.237 87.234
515 ATOM 512 HE ARG 30 52.768 8.365 89.238
516 ATOM 513 HH11 ARG 30 50.810 10.414 91.403
517 ATOM 514 HH12 ARG 30 52.439 9.849 91.014
518 ATOM 515 HH21 ARG 30 48.985 9.676 90.141
519 ATOM 516 HH22 ARG 30 49.234 8.555 88.799
520 ATOM 517 N LEU 31 54.830 4.880 86.814
521 ATOM 518 CA LEU 31 55.653 4.193 87.805
522 ATOM 519 C LEU 31 56.195 5.151 88.837
523 ATOM 520 O LEU 31 56.682 6.230 88.539
524 ATOM 521 CB LEU 31 56.852 3.527 87.104
525 ATOM 522 CG LEU 31 57.720 2.802 88.150
526 ATOM 523 CD1 LEU 31 58.919 2.137 87.449
527 ATOM 524 CD2 LEU 31 58.233 3.819 89.186
528 ATOM 525 H LEU 31 55.135 5.758 86.395
529 ATOM 526 HA LEU 31 55.040 3.433 88.333
530 ATOM 527 HB2 LEU 31 57.459 4.304 86.595
531 ATOM 528 HB3 LEU 31 56.482 2.792 86.359
532 ATOM 529 HG LEU 31 57.113 2.025 88.659
533 ATOM 530 HD11 LEU 31 59.544 1.615 88.204
534 ATOM 531 HD12 LEU 31 59.528 2.914 86.941
535 ATOM 532 HD13 LEU 31 58.550 1.401 86.705
536 ATOM 533 HD21 LEU 31 58.859 3.296 89.938
537 ATOM 534 HD22 LEU 31 57.369 4.297 89.693
538 ATOM 535 HD23 LEU 31 58.843 4.592 88.673
539 ATOM 536 N GLN 32 56.079 4.684 90.088
540 ATOM 537 CA GLN 32 56.547 5.466 91.229
541 ATOM 538 C GLN 32 57.327 4.616 92.203
542 ATOM 539 O GLN 32 56.950 3.511 92.557
543 ATOM 540 CB GLN 32 55.337 6.052 91.981
544 ATOM 541 CG GLN 32 55.830 6.877 93.184
545 ATOM 542 CD GLN 32 54.617 7.432 93.892
546 ATOM 543 OE1 GLN 32 54.702 8.130 94.889
547 ATOM 544 NE2 GLN 32 53.470 6.908 93.439
548 ATOM 545 H GLN 32 55.654 3.766 90.219
549 ATOM 546 HA GLN 32 57.215 6.278 90.873
550 ATOM 547 HB2 GLN 32 54.690 5.225 92.341
551 ATOM 548 HB3 GLN 32 54.760 6.708 91.296
552 ATOM 549 HG2 GLN 32 56.435 7.733 92.821
553 ATOM 550 HG3 GLN 32 56.364 6.210 93.894
554 ATOM 551 HE21 GLN 32 53.504 6.213 92.693
555 ATOM 552 HE22 GLN 32 52.591 7.376 93.660
556 ATOM 553 N GLN 33 58.455 5.209 92.618
557 ATOM 554 CA GLN 33 59.349 4.546 93.563
558 ATOM 555 C GLN 33 59.804 5.488 94.652
559 ATOM 556 O GLN 33 60.181 6.625 94.420
560 ATOM 557 CB GLN 33 60.601 4.044 92.821
561 ATOM 558 CG GLN 33 61.544 3.345 93.819
562 ATOM 559 CD GLN 33 62.755 2.869 93.053
563 ATOM 560 OE1 GLN 33 63.678 2.276 93.588
564 ATOM 561 NE2 GLN 33 62.798 3.348 91.802
565 ATOM 562 H GLN 33 58.670 6.137 92.254
566 ATOM 563 HA GLN 33 58.817 3.699 94.045
567 ATOM 564 HB2 GLN 33 61.127 4.906 92.360
568 ATOM 565 HB3 GLN 33 60.299 3.323 92.033
569 ATOM 566 HG2 GLN 33 61.037 2.453 94.243
570 ATOM 567 HG3 GLN 33 61.887 4.078 94.578
571 ATOM 568 HE21 GLN 33 62.049 3.963 91.483
572 ATOM 569 HE22 GLN 33 63.420 2.908 91.125
573 ATOM 570 N GLU 34 59.743 4.937 95.872
574 ATOM 571 CA GLU 34 60.142 5.689 97.058
575 ATOM 572 C GLU 34 61.009 4.861 97.976
576 ATOM 573 O GLU 34 60.743 3.706 98.263
577 ATOM 574 CB GLU 34 58.887 6.108 97.846
578 ATOM 575 CG GLU 34 59.307 6.902 99.097
579 ATOM 576 CD GLU 34 58.052 7.293 99.840
580 ATOM 577 OE1 GLU 34 58.197 7.950 100.893
581 ATOM 578 OE2 GLU 34 56.963 6.929 99.344
582 ATOM 579 H GLU 34 59.410 3.976 95.947
583 ATOM 580 HA GLU 34 60.725 6.583 96.751
584 ATOM 581 HB2 GLU 34 58.326 5.202 98.156
585 ATOM 582 HB3 GLU 34 58.244 6.746 97.204
586 ATOM 583 HG2 GLU 34 59.824 7.834 98.786
587 ATOM 584 HG3 GLU 34 59.908 6.249 99.764
588 ATOM 585 N ARG 35 62.077 5.535 98.425
589 ATOM 586 CA ARG 35 63.038 4.906 99.326
590 ATOM 587 C ARG 35 63.408 5.820 100.470
591 ATOM 588 O ARG 35 63.672 7.000 100.307
592 ATOM 589 CB ARG 35 64.328 4.574 98.552
593 ATOM 590 CG ARG 35 65.341 3.911 99.503
594 ATOM 591 CD ARG 35 66.631 3.579 98.729
595 ATOM 592 NE ARG 35 67.585 2.954 99.625
596 ATOM 593 CZ ARG 35 68.796 2.575 99.163
597 ATOM 594 NH1 ARG 35 69.684 1.993 99.996
598 ATOM 595 NH2 ARG 35 69.117 2.777 97.867
599 ATOM 596 H ARG 35 62.198 6.500 98.118
600 ATOM 597 HA ARG 35 62.594 3.984 99.756
601 ATOM 598 HB2 ARG 35 64.763 5.510 98.143
602 ATOM 599 HB3 ARG 35 64.090 3.877 97.722
603 ATOM 600 HG2 ARG 35 64.906 2.975 99.912
604 ATOM 601 HG3 ARG 35 65.579 4.608 100.334
605 ATOM 602 HD2 ARG 35 67.066 4.514 98.320
606 ATOM 603 HD3 ARG 35 66.393 2.882 97.899
607 ATOM 604 HE ARG 35 67.342 2.802 100.603
608 ATOM 605 HH11 ARG 35 70.599 1.706 99.647
609 ATOM 606 HH12 ARG 35 69.441 1.841 100.975
610 ATOM 607 HH21 ARG 35 70.032 2.490 97.518
611 ATOM 608 HH22 ARG 35 68.446 3.216 97.237
612 ATOM 609 N VAL 36 63.411 5.192 101.654
613 ATOM 610 CA VAL 36 63.744 5.906 102.883
614 ATOM 611 C VAL 36 64.694 5.113 103.747
615 ATOM 612 O VAL 36 64.544 3.921 103.963
616 ATOM 613 CB VAL 36 62.461 6.153 103.698
617 ATOM 614 CG1 VAL 36 62.812 6.906 104.994
618 ATOM 615 CG2 VAL 36 61.476 6.994 102.865
619 ATOM 616 H VAL 36 63.173 4.200 101.670
620 ATOM 617 HA VAL 36 64.235 6.869 102.630
621 ATOM 618 HB VAL 36 61.993 5.179 103.952
622 ATOM 619 HG11 VAL 36 61.886 7.083 105.580
623 ATOM 620 HG12 VAL 36 63.279 7.880 104.740
624 ATOM 621 HG13 VAL 36 63.518 6.296 105.595
625 ATOM 622 HG21 VAL 36 60.552 7.171 103.454
626 ATOM 623 HG22 VAL 36 61.221 6.448 101.933
627 ATOM 624 HG23 VAL 36 61.945 7.969 102.613
628 ATOM 625 N LEU 37 65.696 5.858 104.234
629 ATOM 626 CA LEU 37 66.720 5.272 105.093
630 ATOM 627 C LEU 37 67.009 6.146 106.290
631 ATOM 628 O LEU 37 67.156 7.354 106.199
632 ATOM 629 CB LEU 37 68.030 5.115 104.298
633 ATOM 630 CG LEU 37 69.110 4.497 105.205
634 ATOM 631 CD1 LEU 37 70.420 4.339 104.409
635 ATOM 632 CD2 LEU 37 69.354 5.417 106.415
636 ATOM 633 H LEU 37 65.720 6.847 103.986
637 ATOM 634 HA LEU 37 66.371 4.287 105.467
638 ATOM 635 HB2 LEU 37 68.369 6.111 103.946
639 ATOM 636 HB3 LEU 37 67.854 4.450 103.427
640 ATOM 637 HG LEU 37 68.771 3.500 105.556
641 ATOM 638 HD11 LEU 37 71.197 3.894 105.064
642 ATOM 639 HD12 LEU 37 70.760 5.336 104.059
643 ATOM 640 HD13 LEU 37 70.245 3.673 103.539
644 ATOM 641 HD21 LEU 37 70.133 4.970 107.067
645 ATOM 642 HD22 LEU 37 68.411 5.528 106.990
646 ATOM 643 HD23 LEU 37 69.697 6.411 106.059
647 ATOM 644 N GLU 38 67.082 5.451 107.433
648 ATOM 645 CA GLU 38 67.353 6.118 108.703
649 ATOM 646 C GLU 38 68.383 5.369 109.515
650 ATOM 647 O GLU 38 68.351 4.158 109.658
651 ATOM 648 CB GLU 38 66.059 6.188 109.534
652 ATOM 649 CG GLU 38 66.345 6.892 110.874
653 ATOM 650 CD GLU 38 65.055 6.940 111.655
654 ATOM 651 OE1 GLU 38 65.093 7.481 112.781
655 ATOM 652 OE2 GLU 38 64.046 6.435 111.117
656 ATOM 653 H GLU 38 66.942 4.442 107.389
657 ATOM 654 HA GLU 38 67.747 7.138 108.509
658 ATOM 655 HB2 GLU 38 65.690 5.160 109.729
659 ATOM 656 HB3 GLU 38 65.291 6.762 108.973
660 ATOM 657 HG2 GLU 38 66.666 7.937 110.680
661 ATOM 658 HG3 GLU 38 67.075 6.292 111.456
662 ATOM 659 N ASP 39 69.311 6.178 110.045
663 ATOM 660 CA ASP 39 70.394 5.643 110.865
664 ATOM 661 C ASP 39 70.606 6.467 112.112
665 ATOM 662 O ASP 39 70.635 7.686 112.095
666 ATOM 663 CB ASP 39 71.707 5.662 110.059
667 ATOM 664 CG ASP 39 72.798 5.103 110.940
668 ATOM 665 OD1 ASP 39 73.946 5.040 110.451
669 ATOM 666 OD2 ASP 39 72.470 4.745 112.092
670 ATOM 667 H ASP 39 69.238 7.178 109.858
671 ATOM 668 HA ASP 39 70.146 4.607 111.178
672 ATOM 669 HB2 ASP 39 71.972 6.711 109.812
673 ATOM 670 HB3 ASP 39 71.607 4.997 109.176
674 ATOM 671 N THR 40 70.755 5.713 113.210
675 ATOM 672 CA THR 40 70.971 6.325 114.518
676 ATOM 673 C THR 40 72.075 5.632 115.281
677 ATOM 674 O THR 40 72.161 4.417 115.349
678 ATOM 675 CB THR 40 69.667 6.266 115.335
679 ATOM 676 OG1 THR 40 69.922 6.866 116.585
680 ATOM 677 CG2 THR 40 69.286 4.796 115.590
681 ATOM 678 H THR 40 70.713 4.700 113.105
682 ATOM 679 HA THR 40 71.263 7.388 114.387
683 ATOM 680 HB THR 40 68.891 6.885 114.837
684 ATOM 681 HG1 THR 40 69.121 6.826 117.076
685 ATOM 682 HG21 THR 40 68.346 4.744 116.178
686 ATOM 683 HG22 THR 40 70.094 4.287 116.155
687 ATOM 684 HG23 THR 40 69.137 4.270 114.624
688 ATOM 685 N PRO 41 72.924 6.493 115.858
689 ATOM 686 CA PRO 41 74.061 6.017 116.641
690 ATOM 687 C PRO 41 74.201 6.781 117.937
691 ATOM 688 O PRO 41 74.111 7.996 117.994
692 ATOM 689 CB PRO 41 75.320 6.228 115.781
693 ATOM 690 CG PRO 41 74.858 6.853 114.452
694 ATOM 691 CD PRO 41 73.328 7.008 114.535
695 ATOM 692 HA PRO 41 73.916 4.946 116.891
696 ATOM 693 HB2 PRO 41 75.798 5.246 115.581
697 ATOM 694 HB3 PRO 41 76.008 6.929 116.299
698 ATOM 695 HG2 PRO 41 75.115 6.171 113.615
699 ATOM 696 HG3 PRO 41 75.324 7.854 114.333
700 ATOM 697 HD2 PRO 41 72.852 6.396 113.740
701 ATOM 698 HD3 PRO 41 73.062 8.083 114.460
702 ATOM 699 N ALA 42 74.431 5.980 118.986
703 ATOM 700 CA ALA 42 74.597 6.529 120.329
704 ATOM 701 C ALA 42 75.769 5.902 121.045
705 ATOM 702 O ALA 42 75.973 4.699 121.039
706 ATOM 703 CB ALA 42 73.331 6.247 121.159
707 ATOM 704 H ALA 42 74.487 4.975 118.819
708 ATOM 705 HA ALA 42 74.783 7.622 120.262
709 ATOM 706 HB1 ALA 42 73.459 6.665 122.180
710 ATOM 707 HB2 ALA 42 73.172 5.151 121.228
711 ATOM 708 HB3 ALA 42 72.456 6.725 120.672
712 ATOM 709 N ILE 43 76.535 6.805 121.672
713 ATOM 710 CA ILE 43 77.718 6.395 122.423
714 ATOM 711 C ILE 43 77.795 7.088 123.762
715 ATOM 712 O ILE 43 77.588 8.283 123.895
716 ATOM 713 CB ILE 43 78.983 6.716 121.605
717 ATOM 714 CG1 ILE 43 80.231 6.284 122.397
718 ATOM 715 CG2 ILE 43 79.047 8.230 121.331
719 ATOM 716 CD1 ILE 43 81.496 6.606 121.579
720 ATOM 717 H ILE 43 76.267 7.787 121.609
721 ATOM 718 HA ILE 43 77.680 5.301 122.607
722 ATOM 719 HB ILE 43 78.949 6.166 120.642
723 ATOM 720 HG12 ILE 43 80.185 5.192 122.591
724 ATOM 721 HG13 ILE 43 80.265 6.834 123.360
725 ATOM 722 HG21 ILE 43 78.150 8.551 120.760
726 ATOM 723 HG22 ILE 43 79.956 8.472 120.742
727 ATOM 724 HG23 ILE 43 79.083 8.789 122.290
728 ATOM 725 HD11 ILE 43 82.401 6.297 122.142
729 ATOM 726 HD12 ILE 43 81.550 7.696 121.377
730 ATOM 727 HD13 ILE 43 81.470 6.063 120.611
731 ATOM 728 N ARG 44 78.109 6.251 124.761
732 ATOM 729 CA ARG 44 78.231 6.731 126.134
733 ATOM 730 C ARG 44 79.464 6.178 126.809
734 ATOM 731 O ARG 44 79.784 5.004 126.728
735 ATOM 732 CB ARG 44 77.005 6.277 126.948
736 ATOM 733 CG ARG 44 77.134 6.784 128.397
737 ATOM 734 CD ARG 44 75.908 6.330 129.211
738 ATOM 735 NE ARG 44 76.030 6.807 130.575
739 ATOM 736 CZ ARG 44 75.064 6.527 131.476
740 ATOM 737 NH1 ARG 44 75.177 6.971 132.746
741 ATOM 738 NH2 ARG 44 73.986 5.803 131.107
742 ATOM 739 H ARG 44 78.261 5.269 124.532
743 ATOM 740 HA ARG 44 78.310 7.838 126.134
744 ATOM 741 HB2 ARG 44 76.953 5.169 126.948
745 ATOM 742 HB3 ARG 44 76.084 6.696 126.492
746 ATOM 743 HG2 ARG 44 77.187 7.892 128.397
747 ATOM 744 HG3 ARG 44 78.055 6.365 128.853
748 ATOM 745 HD2 ARG 44 75.856 5.221 129.211
749 ATOM 746 HD3 ARG 44 74.987 6.748 128.755
750 ATOM 747 HE ARG 44 76.844 7.353 130.854
751 ATOM 748 HH11 ARG 44 74.448 6.759 133.427
752 ATOM 749 HH12 ARG 44 75.992 7.517 133.025
753 ATOM 750 HH21 ARG 44 73.256 5.592 131.788
754 ATOM 751 HH22 ARG 44 73.900 5.468 130.148
755 ATOM 752 N GLY 45 80.144 7.111 127.488
756 ATOM 753 CA GLY 45 81.367 6.774 128.210
757 ATOM 754 C GLY 45 81.387 7.388 129.589
758 ATOM 755 O GLY 45 81.066 8.547 129.795
759 ATOM 756 H GLY 45 79.782 8.065 127.486
760 ATOM 757 HA2 GLY 45 81.437 5.672 128.327
761 ATOM 758 HA3 GLY 45 82.246 7.160 127.652
762 ATOM 759 N ASN 46 81.789 6.527 130.534
763 ATOM 760 CA ASN 46 81.874 6.932 131.934
764 ATOM 761 C ASN 46 83.160 6.462 132.571
765 ATOM 762 O ASN 46 83.592 5.331 132.418
766 ATOM 763 CB ASN 46 80.705 6.312 132.721
767 ATOM 764 CG ASN 46 80.830 6.755 134.159
768 ATOM 765 OD1 ASN 46 80.037 6.415 135.021
769 ATOM 766 ND2 ASN 46 81.759 7.706 134.328
770 ATOM 767 H ASN 46 82.033 5.580 130.245
771 ATOM 768 HA ASN 46 81.846 8.040 132.001
772 ATOM 769 HB2 ASN 46 80.789 5.206 132.696
773 ATOM 770 HB3 ASN 46 79.745 6.706 132.326
774 ATOM 771 HD21 ASN 46 82.280 8.039 133.517
775 ATOM 772 HD22 ASN 46 82.102 7.901 135.269
776 ATOM 773 N VAL 47 83.752 7.413 133.305
777 ATOM 774 CA VAL 47 85.008 7.153 134.003
778 ATOM 775 C VAL 47 84.978 7.682 135.417
779 ATOM 776 O VAL 47 84.548 8.789 135.694
780 ATOM 777 CB VAL 47 86.162 7.854 133.262
781 ATOM 778 CG1 VAL 47 87.487 7.579 133.998
782 ATOM 779 CG2 VAL 47 86.252 7.315 131.823
783 ATOM 780 H VAL 47 83.299 8.325 133.362
784 ATOM 781 HA VAL 47 85.185 6.058 134.051
785 ATOM 782 HB VAL 47 85.974 8.948 133.238
786 ATOM 783 HG11 VAL 47 88.317 8.085 133.463
787 ATOM 784 HG12 VAL 47 87.675 6.486 134.022
788 ATOM 785 HG13 VAL 47 87.421 7.973 135.034
789 ATOM 786 HG21 VAL 47 87.084 7.821 131.291
790 ATOM 787 HG22 VAL 47 85.298 7.517 131.293
791 ATOM 788 HG23 VAL 47 86.443 6.221 131.850
792 ATOM 789 N GLU 48 85.469 6.807 136.306
793 ATOM 790 CA GLU 48 85.526 7.133 137.728
794 ATOM 791 C GLU 48 86.856 6.752 138.333
795 ATOM 792 O GLU 48 87.395 5.680 138.110
796 ATOM 793 CB GLU 48 84.428 6.356 138.478
797 ATOM 794 CG GLU 48 84.489 6.700 139.978
798 ATOM 795 CD GLU 48 83.399 5.919 140.674
799 ATOM 796 OE1 GLU 48 83.294 6.072 141.910
800 ATOM 797 OE2 GLU 48 82.686 5.180 139.961
801 ATOM 798 H GLU 48 85.802 5.908 135.959
802 ATOM 799 HA GLU 48 85.391 8.226 137.863
803 ATOM 800 HB2 GLU 48 84.590 5.266 138.342
804 ATOM 801 HB3 GLU 48 83.434 6.640 138.074
805 ATOM 802 HG2 GLU 48 84.277 7.780 140.117
806 ATOM 803 HG3 GLU 48 85.464 6.369 140.393
807 ATOM 804 N LYS 49 87.359 7.711 139.123
808 ATOM 805 CA LYS 49 88.640 7.532 139.801
809 ATOM 806 C LYS 49 88.570 7.968 141.245
810 ATOM 807 O LYS 49 88.037 9.009 141.590
811 ATOM 808 CB LYS 49 89.714 8.385 139.103
812 ATOM 809 CG LYS 49 91.065 8.197 139.818
813 ATOM 810 CD LYS 49 92.140 9.050 139.119
814 ATOM 811 CE LYS 49 93.491 8.861 139.834
815 ATOM 812 NZ LYS 49 94.538 9.693 139.154
816 ATOM 813 H LYS 49 86.820 8.569 139.236
817 ATOM 814 HA LYS 49 88.922 6.458 139.782
818 ATOM 815 HB2 LYS 49 89.421 9.455 139.145
819 ATOM 816 HB3 LYS 49 89.810 8.065 138.044
820 ATOM 817 HG2 LYS 49 91.359 7.127 139.775
821 ATOM 818 HG3 LYS 49 90.970 8.517 140.876
822 ATOM 819 HD2 LYS 49 91.847 10.120 139.162
823 ATOM 820 HD3 LYS 49 92.235 8.730 138.061
824 ATOM 821 HE2 LYS 49 93.791 7.794 139.780
825 ATOM 822 HE3 LYS 49 93.399 9.194 140.889
826 ATOM 823 HZ1 LYS 49 95.433 9.568 139.628
827 ATOM 824 HZ2 LYS 49 94.268 10.676 139.190
828 ATOM 825 HZ3 LYS 49 94.625 9.402 138.181
829 ATOM 826 N VAL 50 89.150 7.093 142.078
830 ATOM 827 CA VAL 50 89.187 7.336 143.517
831 ATOM 828 C VAL 50 90.552 7.050 144.094
832 ATOM 829 O VAL 50 91.190 6.051 143.805
833 ATOM 830 CB VAL 50 88.175 6.411 144.220
834 ATOM 831 CG1 VAL 50 88.214 6.667 145.738
835 ATOM 832 CG2 VAL 50 86.759 6.698 143.686
836 ATOM 833 H VAL 50 89.566 6.253 141.676
837 ATOM 834 HA VAL 50 88.947 8.400 143.719
838 ATOM 835 HB VAL 50 88.441 5.353 144.017
839 ATOM 836 HG11 VAL 50 87.484 6.000 146.243
840 ATOM 837 HG12 VAL 50 87.947 7.725 145.940
841 ATOM 838 HG13 VAL 50 89.233 6.456 146.122
842 ATOM 839 HG21 VAL 50 86.032 6.031 144.193
843 ATOM 840 HG22 VAL 50 86.733 6.509 142.592
844 ATOM 841 HG23 VAL 50 86.495 7.756 143.891
845 ATOM 842 N ALA 51 90.966 8.003 144.941
846 ATOM 843 CA ALA 51 92.263 7.908 145.604
847 ATOM 844 C ALA 51 92.162 8.247 147.072
848 ATOM 845 O ALA 51 91.533 9.209 147.482
849 ATOM 846 CB ALA 51 93.244 8.903 144.958
850 ATOM 847 H ALA 51 90.347 8.796 145.108
851 ATOM 848 HA ALA 51 92.648 6.871 145.519
852 ATOM 849 HB1 ALA 51 94.230 8.830 145.463
853 ATOM 850 HB2 ALA 51 92.849 9.935 145.067
854 ATOM 851 HB3 ALA 51 93.363 8.658 143.882
855 ATOM 852 N HIS 52 92.832 7.384 147.849
856 ATOM 853 CA HIS 52 92.855 7.541 149.300
857 ATOM 854 C HIS 52 94.247 7.354 149.857
858 ATOM 855 O HIS 52 94.976 6.442 149.506
859 ATOM 856 CB HIS 52 91.903 6.516 149.944
860 ATOM 857 CG HIS 52 91.927 6.677 151.435
861 ATOM 858 ND1 HIS 52 91.122 7.483 152.159
862 ATOM 859 CD2 HIS 52 92.759 6.042 152.288
863 ATOM 860 CE1 HIS 52 91.456 7.346 153.460
864 ATOM 861 NE2 HIS 52 92.467 6.456 153.540
865 ATOM 862 H HIS 52 93.324 6.614 147.396
866 ATOM 863 HA HIS 52 92.515 8.563 149.568
867 ATOM 864 HB2 HIS 52 92.232 5.490 149.679
868 ATOM 865 HB3 HIS 52 90.871 6.687 149.572
869 ATOM 866 HD1 HIS 52 90.390 8.089 151.789
870 ATOM 867 HD2 HIS 52 93.537 5.316 152.012
871 ATOM 868 HE1 HIS 52 90.986 7.868 154.307
872 ATOM 869 HE2 HIS 52 92.930 6.149 154.396
873 ATOM 870 N LEU 53 94.572 8.290 150.759
874 ATOM 871 CA LEU 53 95.878 8.282 151.413
875 ATOM 872 C LEU 53 95.757 8.519 152.899
876 ATOM 873 O LEU 53 95.040 9.388 153.368
877 ATOM 874 CB LEU 53 96.753 9.405 150.827
878 ATOM 875 CG LEU 53 98.130 9.396 151.516
879 ATOM 876 CD1 LEU 53 99.006 10.520 150.930
880 ATOM 877 CD2 LEU 53 97.949 9.625 153.028
881 ATOM 878 H LEU 53 93.881 9.007 150.976
882 ATOM 879 HA LEU 53 96.361 7.294 151.263
883 ATOM 880 HB2 LEU 53 96.260 10.384 150.999
884 ATOM 881 HB3 LEU 53 96.885 9.239 149.737
885 ATOM 882 HG LEU 53 98.623 8.417 151.344
886 ATOM 883 HD11 LEU 53 99.997 10.512 151.428
887 ATOM 884 HD12 LEU 53 98.513 11.499 151.104
888 ATOM 885 HD13 LEU 53 99.139 10.353 149.841
889 ATOM 886 HD21 LEU 53 98.943 9.619 153.524
890 ATOM 887 HD22 LEU 53 97.321 8.814 153.452
891 ATOM 888 HD23 LEU 53 97.460 10.607 153.197
892 ATOM 889 N VAL 54 96.512 7.679 153.620
893 ATOM 890 CA VAL 54 96.532 7.749 155.078
894 ATOM 891 C VAL 54 97.939 7.666 155.620
895 ATOM 892 O VAL 54 98.751 6.851 155.212
896 ATOM 893 CB VAL 54 95.733 6.569 155.661
897 ATOM 894 CG1 VAL 54 95.754 6.643 157.199
898 ATOM 895 CG2 VAL 54 94.277 6.638 155.163
899 ATOM 896 H VAL 54 97.073 6.990 153.120
900 ATOM 897 HA VAL 54 96.096 8.715 155.409
901 ATOM 898 HB VAL 54 96.193 5.614 155.331
902 ATOM 899 HG11 VAL 54 95.177 5.791 157.617
903 ATOM 900 HG12 VAL 54 95.293 7.597 157.528
904 ATOM 901 HG13 VAL 54 96.803 6.588 157.556
905 ATOM 902 HG21 VAL 54 93.703 5.787 155.583
906 ATOM 903 HG22 VAL 54 94.264 6.581 154.054
907 ATOM 904 HG23 VAL 54 93.819 7.593 155.495
908 ATOM 905 N ARG 55 98.180 8.572 156.577
909 ATOM 906 CA ARG 55 99.485 8.651 157.227
910 ATOM 907 C ARG 55 99.353 8.784 158.725
911 ATOM 908 O ARG 55 98.560 9.550 159.248
912 ATOM 909 CB ARG 55 100.243 9.888 156.709
913 ATOM 910 CG ARG 55 101.619 9.971 157.394
914 ATOM 911 CD ARG 55 102.377 11.208 156.876
915 ATOM 912 NE ARG 55 103.673 11.286 157.521
916 ATOM 913 CZ ARG 55 104.517 12.297 157.220
917 ATOM 914 NH1 ARG 55 105.724 12.370 157.821
918 ATOM 915 NH2 ARG 55 104.154 13.233 156.319
919 ATOM 916 H ARG 55 97.424 9.204 156.839
920 ATOM 917 HA ARG 55 100.061 7.725 157.016
921 ATOM 918 HB2 ARG 55 99.659 10.802 156.942
922 ATOM 919 HB3 ARG 55 100.382 9.802 155.611
923 ATOM 920 HG2 ARG 55 102.203 9.056 157.161
924 ATOM 921 HG3 ARG 55 101.480 10.057 158.492
925 ATOM 922 HD2 ARG 55 101.793 12.122 157.109
926 ATOM 923 HD3 ARG 55 102.516 11.122 155.778
927 ATOM 924 HE ARG 55 103.948 10.579 158.203
928 ATOM 925 HH11 ARG 55 106.361 13.133 157.594
929 ATOM 926 HH12 ARG 55 105.998 11.662 158.502
930 ATOM 927 HH21 ARG 55 104.791 13.997 156.091
931 ATOM 928 HH22 ARG 55 103.242 13.178 155.865
932 ATOM 929 N VAL 56 100.192 7.980 159.392
933 ATOM 930 CA VAL 56 100.217 7.963 160.852
934 ATOM 931 C VAL 56 101.629 7.984 161.384
935 ATOM 932 O VAL 56 102.513 7.278 160.926
936 ATOM 933 CB VAL 56 99.540 6.677 161.362
937 ATOM 934 CG1 VAL 56 99.566 6.659 162.902
938 ATOM 935 CG2 VAL 56 98.081 6.635 160.872
939 ATOM 936 H VAL 56 100.813 7.380 158.849
940 ATOM 937 HA VAL 56 99.692 8.860 161.242
941 ATOM 938 HB VAL 56 100.088 5.793 160.974
942 ATOM 939 HG11 VAL 56 99.078 5.732 163.268
943 ATOM 940 HG12 VAL 56 99.017 7.542 163.290
944 ATOM 941 HG13 VAL 56 100.618 6.685 163.253
945 ATOM 942 HG21 VAL 56 97.595 5.707 161.241
946 ATOM 943 HG22 VAL 56 98.064 6.643 159.762
947 ATOM 944 HG23 VAL 56 97.534 7.518 161.263
948 ATOM 945 N GLU 57 101.788 8.849 162.395
949 ATOM 946 CA GLU 57 103.085 9.015 163.046
950 ATOM 947 C GLU 57 102.952 9.044 164.550
951 ATOM 948 O GLU 57 102.093 9.695 165.120
952 ATOM 949 CB GLU 57 103.715 10.349 162.603
953 ATOM 950 CG GLU 57 105.082 10.524 163.290
954 ATOM 951 CD GLU 57 105.664 11.839 162.830
955 ATOM 952 OE1 GLU 57 106.784 12.155 163.288
956 ATOM 953 OE2 GLU 57 104.982 12.512 162.027
957 ATOM 954 H GLU 57 100.977 9.388 162.696
958 ATOM 955 HA GLU 57 103.746 8.164 162.778
959 ATOM 956 HB2 GLU 57 103.047 11.186 162.893
960 ATOM 957 HB3 GLU 57 103.853 10.344 161.502
961 ATOM 958 HG2 GLU 57 105.767 9.714 162.960
962 ATOM 959 HG3 GLU 57 104.939 10.580 164.389
963 ATOM 960 N VAL 58 103.871 8.286 165.164
964 ATOM 961 CA VAL 58 103.908 8.182 166.620
965 ATOM 962 C VAL 58 105.316 8.308 167.150
966 ATOM 963 O VAL 58 106.261 7.721 166.648
967 ATOM 964 CB VAL 58 103.363 6.808 167.052
968 ATOM 965 CG1 VAL 58 103.403 6.699 168.587
969 ATOM 966 CG2 VAL 58 101.911 6.654 166.563
970 ATOM 967 H VAL 58 104.543 7.783 164.584
971 ATOM 968 HA VAL 58 103.302 8.998 167.065
972 ATOM 969 HB VAL 58 103.991 6.007 166.609
973 ATOM 970 HG11 VAL 58 103.010 5.708 168.897
974 ATOM 971 HG12 VAL 58 102.774 7.499 169.030
975 ATOM 972 HG13 VAL 58 104.451 6.806 168.938
976 ATOM 973 HG21 VAL 58 101.520 5.663 166.875
977 ATOM 974 HG22 VAL 58 101.885 6.728 165.456
978 ATOM 975 HG23 VAL 58 101.285 7.454 167.009
979 ATOM 976 N VAL 59 105.399 9.121 168.212
980 ATOM 977 CA VAL 59 106.678 9.373 168.869
981 ATOM 978 C VAL 59 106.555 9.297 170.372
982 ATOM 979 O VAL 59 105.641 9.826 170.983
983 ATOM 980 CB VAL 59 107.172 10.786 168.508
984 ATOM 981 CG1 VAL 59 108.522 11.051 169.201
985 ATOM 982 CG2 VAL 59 107.348 10.894 166.982
986 ATOM 983 H VAL 59 104.541 9.559 168.547
987 ATOM 984 HA VAL 59 107.416 8.608 168.548
988 ATOM 985 HB VAL 59 106.428 11.535 168.850
989 ATOM 986 HG11 VAL 59 108.876 12.070 168.940
990 ATOM 987 HG12 VAL 59 109.266 10.302 168.858
991 ATOM 988 HG13 VAL 59 108.392 10.977 170.301
992 ATOM 989 HG21 VAL 59 107.705 11.913 166.723
993 ATOM 990 HG22 VAL 59 106.374 10.707 166.484
994 ATOM 991 HG23 VAL 59 108.094 10.146 166.643
995 ATOM 992 N GLU 60 107.547 8.596 170.937
996 ATOM 993 CA GLU 60 107.606 8.408 172.384
997 ATOM 994 C GLU 60 109.000 8.637 172.918
998 ATOM 995 O GLU 60 109.943 8.117 172.284
999 ATOM 996 CB GLU 60 107.201 6.964 172.732
1000 ATOM 997 CG GLU 60 107.262 6.766 174.258
1001 ATOM 998 CD GLU 60 106.859 5.341 174.555
1002 ATOM 999 OE1 GLU 60 106.850 4.993 175.756
1003 ATOM 1000 OE2 GLU 60 106.565 4.619 173.578
1004 ATOM 1001 OXT GLU 60 109.104 9.330 173.954
1005 ATOM 1002 H GLU 60 108.260 8.197 170.326
1006 ATOM 1003 HA GLU 60 106.927 9.133 172.880
1007 ATOM 1004 HB2 GLU 60 107.899 6.256 172.240
1008 ATOM 1005 HB3 GLU 60 106.166 6.776 172.377
1009 ATOM 1006 HG2 GLU 60 106.527 7.438 174.747
1010 ATOM 1007 HG3 GLU 60 108.308 6.904 174.605
1011 END