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THU-ATOM
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PDBbind_test

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Add batch 24

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  1. 6q36/6q36_ligand.mol2 +606 -0
  2. 6q36/6q36_ligand.sdf +594 -0
  3. 6q36/6q36_protein_alphafold_aligned_tr_fix.pdb +0 -0
  4. 6q36/6q36_protein_esmfold_aligned_tr_fix.pdb +0 -0
  5. 6q36/6q36_protein_processed_fix.pdb +0 -0
  6. 6q36/6q36_rdkit_ligand.pdb +419 -0
  7. 6q38/6q38_ligand.mol2 +463 -0
  8. 6q38/6q38_ligand.sdf +451 -0
  9. 6q38/6q38_protein_alphafold_aligned_tr_fix.pdb +0 -0
  10. 6q38/6q38_protein_esmfold_aligned_tr_fix.pdb +0 -0
  11. 6q38/6q38_protein_processed_fix.pdb +0 -0
  12. 6q38/6q38_rdkit_ligand.pdb +325 -0
  13. 6q4q/6q4q_ligand.mol2 +481 -0
  14. 6q4q/6q4q_ligand.sdf +467 -0
  15. 6q4q/6q4q_protein_alphafold_aligned_tr_fix.pdb +0 -0
  16. 6q4q/6q4q_protein_esmfold_aligned_tr_fix.pdb +0 -0
  17. 6q4q/6q4q_protein_processed_fix.pdb +0 -0
  18. 6q4q/6q4q_rdkit_ligand.pdb +340 -0
  19. 6qfe/6qfe_ligand.mol2 +125 -0
  20. 6qfe/6qfe_ligand.sdf +111 -0
  21. 6qfe/6qfe_protein_alphafold_aligned_tr_fix.pdb +0 -0
  22. 6qfe/6qfe_protein_esmfold_aligned_tr_fix.pdb +0 -0
  23. 6qfe/6qfe_protein_processed_fix.pdb +0 -0
  24. 6qfe/6qfe_rdkit_ligand.pdb +83 -0
  25. 6qge/6qge_ligand.mol2 +150 -0
  26. 6qge/6qge_ligand.sdf +140 -0
  27. 6qge/6qge_protein_alphafold_aligned_tr_fix.pdb +1103 -0
  28. 6qge/6qge_protein_esmfold_aligned_tr_fix.pdb +1104 -0
  29. 6qge/6qge_protein_processed_fix.pdb +0 -0
  30. 6qge/6qge_rdkit_ligand.pdb +100 -0
  31. 6qgf/6qgf_ligand.mol2 +150 -0
  32. 6qgf/6qgf_ligand.sdf +140 -0
  33. 6qgf/6qgf_protein_alphafold_aligned_tr_fix.pdb +1111 -0
  34. 6qgf/6qgf_protein_esmfold_aligned_tr_fix.pdb +1111 -0
  35. 6qgf/6qgf_protein_processed_fix.pdb +0 -0
  36. 6qgf/6qgf_rdkit_ligand.pdb +100 -0
  37. 6qi7/6qi7_ligand.mol2 +113 -0
  38. 6qi7/6qi7_ligand.sdf +105 -0
  39. 6qi7/6qi7_protein_alphafold_aligned_tr_fix.pdb +1193 -0
  40. 6qi7/6qi7_protein_esmfold_aligned_tr_fix.pdb +1193 -0
  41. 6qi7/6qi7_protein_processed_fix.pdb +0 -0
  42. 6qi7/6qi7_rdkit_ligand.pdb +69 -0
  43. 6qln/6qln_ligand.mol2 +123 -0
  44. 6qln/6qln_ligand.sdf +113 -0
  45. 6qln/6qln_protein_alphafold_aligned_tr_fix.pdb +1111 -0
  46. 6qln/6qln_protein_esmfold_aligned_tr_fix.pdb +1111 -0
  47. 6qln/6qln_protein_processed_fix.pdb +0 -0
  48. 6qln/6qln_rdkit_ligand.pdb +80 -0
  49. 6qlo/6qlo_ligand.mol2 +123 -0
  50. 6qlo/6qlo_ligand.sdf +113 -0
6q36/6q36_ligand.mol2 ADDED
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+ M END
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+ $$$$
6q36/6q36_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q36/6q36_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q36/6q36_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q36/6q36_rdkit_ligand.pdb ADDED
@@ -0,0 +1,419 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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66
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90
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132
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158
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159
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160
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161
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162
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163
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164
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166
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167
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169
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170
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171
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176
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177
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178
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183
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184
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185
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192
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193
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194
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195
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197
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199
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206
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207
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214
+ HETATM 213 H66 UNL 1 -5.137 6.247 -5.393 1.00 0.00 H
215
+ HETATM 214 H67 UNL 1 -3.933 8.121 -6.246 1.00 0.00 H
216
+ HETATM 215 H68 UNL 1 -2.785 8.021 -5.055 1.00 0.00 H
217
+ HETATM 216 H69 UNL 1 -2.944 6.804 -6.171 1.00 0.00 H
218
+ HETATM 217 H70 UNL 1 -0.027 3.168 -0.718 1.00 0.00 H
219
+ HETATM 218 H71 UNL 1 1.939 5.108 -1.842 1.00 0.00 H
220
+ HETATM 219 H72 UNL 1 2.186 3.174 0.570 1.00 0.00 H
221
+ HETATM 220 H73 UNL 1 3.419 4.290 0.014 1.00 0.00 H
222
+ HETATM 221 H74 UNL 1 0.675 5.123 1.151 1.00 0.00 H
223
+ HETATM 222 H75 UNL 1 1.738 5.546 3.268 1.00 0.00 H
224
+ HETATM 223 H76 UNL 1 2.959 4.350 2.777 1.00 0.00 H
225
+ HETATM 224 H77 UNL 1 1.506 7.413 1.220 1.00 0.00 H
226
+ HETATM 225 H78 UNL 1 2.623 6.956 -0.093 1.00 0.00 H
227
+ HETATM 226 H79 UNL 1 3.490 7.215 2.672 1.00 0.00 H
228
+ HETATM 227 H80 UNL 1 4.278 6.076 1.552 1.00 0.00 H
229
+ HETATM 228 H81 UNL 1 3.180 2.562 -5.140 1.00 0.00 H
230
+ HETATM 229 H82 UNL 1 4.247 0.471 -4.577 1.00 0.00 H
231
+ HETATM 230 H83 UNL 1 3.426 0.397 -3.013 1.00 0.00 H
232
+ HETATM 231 H84 UNL 1 5.242 1.525 -2.143 1.00 0.00 H
233
+ HETATM 232 H85 UNL 1 4.461 3.738 -1.924 1.00 0.00 H
234
+ HETATM 233 H86 UNL 1 4.674 4.064 -3.657 1.00 0.00 H
235
+ HETATM 234 H87 UNL 1 6.303 1.189 -4.282 1.00 0.00 H
236
+ HETATM 235 H88 UNL 1 2.358 -0.021 -5.442 1.00 0.00 H
237
+ HETATM 236 H89 UNL 1 -0.559 0.220 -5.795 1.00 0.00 H
238
+ HETATM 237 H90 UNL 1 0.913 1.448 -7.494 1.00 0.00 H
239
+ HETATM 238 H91 UNL 1 -0.056 0.143 -8.204 1.00 0.00 H
240
+ HETATM 239 H92 UNL 1 0.568 -2.098 -7.929 1.00 0.00 H
241
+ HETATM 240 H93 UNL 1 0.188 -4.262 -8.098 1.00 0.00 H
242
+ HETATM 241 H94 UNL 1 1.998 -5.325 -7.048 1.00 0.00 H
243
+ HETATM 242 H95 UNL 1 2.499 -3.630 -6.979 1.00 0.00 H
244
+ HETATM 243 H96 UNL 1 1.672 -3.582 -4.834 1.00 0.00 H
245
+ HETATM 244 H97 UNL 1 0.477 -6.113 -5.589 1.00 0.00 H
246
+ HETATM 245 H98 UNL 1 -2.444 -6.203 -5.052 1.00 0.00 H
247
+ HETATM 246 H99 UNL 1 -1.928 -8.161 -6.331 1.00 0.00 H
248
+ HETATM 247 HA0 UNL 1 -2.255 -8.637 -4.686 1.00 0.00 H
249
+ HETATM 248 HA1 UNL 1 0.310 -8.416 -7.330 1.00 0.00 H
250
+ HETATM 249 HA2 UNL 1 -0.461 -9.568 -3.234 1.00 0.00 H
251
+ HETATM 250 HA3 UNL 1 2.378 -9.760 -7.305 1.00 0.00 H
252
+ HETATM 251 HA4 UNL 1 1.615 -10.902 -3.238 1.00 0.00 H
253
+ HETATM 252 HA5 UNL 1 3.026 -11.022 -5.273 1.00 0.00 H
254
+ HETATM 253 HA6 UNL 1 0.705 -5.839 -3.472 1.00 0.00 H
255
+ HETATM 254 HA7 UNL 1 -0.342 -7.214 -1.048 1.00 0.00 H
256
+ HETATM 255 HA8 UNL 1 1.849 -8.022 -1.761 1.00 0.00 H
257
+ HETATM 256 HA9 UNL 1 1.795 -7.431 -0.140 1.00 0.00 H
258
+ HETATM 257 HB0 UNL 1 2.756 -6.590 -3.636 1.00 0.00 H
259
+ HETATM 258 HB1 UNL 1 4.678 -5.239 -4.297 1.00 0.00 H
260
+ HETATM 259 HB2 UNL 1 6.126 -4.207 -2.604 1.00 0.00 H
261
+ HETATM 260 HB3 UNL 1 2.828 -6.405 1.295 1.00 0.00 H
262
+ HETATM 261 HB4 UNL 1 4.412 -5.484 2.887 1.00 0.00 H
263
+ HETATM 262 HB5 UNL 1 6.369 -4.179 2.112 1.00 0.00 H
264
+ HETATM 263 HB6 UNL 1 6.741 -3.836 -0.291 1.00 0.00 H
265
+ HETATM 264 HB7 UNL 1 -1.775 -5.194 -1.404 1.00 0.00 H
266
+ HETATM 265 HB8 UNL 1 -0.755 -2.687 -0.139 1.00 0.00 H
267
+ HETATM 266 HB9 UNL 1 -2.976 -1.732 -0.918 1.00 0.00 H
268
+ HETATM 267 HC0 UNL 1 -3.436 -3.312 -1.521 1.00 0.00 H
269
+ HETATM 268 HC1 UNL 1 -1.353 -3.150 -3.085 1.00 0.00 H
270
+ HETATM 269 HC2 UNL 1 -1.195 -1.489 -2.539 1.00 0.00 H
271
+ HETATM 270 HC3 UNL 1 -3.470 -0.988 -3.447 1.00 0.00 H
272
+ HETATM 271 HC4 UNL 1 -2.344 -1.563 -4.660 1.00 0.00 H
273
+ HETATM 272 HC5 UNL 1 -3.519 -3.988 -3.901 1.00 0.00 H
274
+ HETATM 273 HC6 UNL 1 -4.864 -2.841 -3.650 1.00 0.00 H
275
+ HETATM 274 HC7 UNL 1 -4.864 -3.642 -5.876 1.00 0.00 H
276
+ HETATM 275 HC8 UNL 1 -4.336 -2.058 -5.985 1.00 0.00 H
277
+ HETATM 276 HC9 UNL 1 -3.259 -3.332 -6.057 1.00 0.00 H
278
+ HETATM 277 HD0 UNL 1 -2.818 -1.739 1.225 1.00 0.00 H
279
+ HETATM 278 HD1 UNL 1 -3.702 -3.853 3.110 1.00 0.00 H
280
+ HETATM 279 HD2 UNL 1 -2.464 -1.643 3.968 1.00 0.00 H
281
+ HETATM 280 HD3 UNL 1 -3.912 -0.795 3.462 1.00 0.00 H
282
+ HETATM 281 HD4 UNL 1 -5.276 -2.134 5.048 1.00 0.00 H
283
+ HETATM 282 HD5 UNL 1 -3.989 -1.246 5.842 1.00 0.00 H
284
+ HETATM 283 HD6 UNL 1 -7.415 -3.010 0.766 1.00 0.00 H
285
+ HETATM 284 HD7 UNL 1 -9.398 -4.240 2.305 1.00 0.00 H
286
+ HETATM 285 HD8 UNL 1 -8.167 -5.137 1.397 1.00 0.00 H
287
+ HETATM 286 HD9 UNL 1 -7.809 -5.972 3.629 1.00 0.00 H
288
+ HETATM 287 HE0 UNL 1 -8.092 -4.372 4.340 1.00 0.00 H
289
+ HETATM 288 HE1 UNL 1 -5.702 -4.360 4.242 1.00 0.00 H
290
+ HETATM 289 HE2 UNL 1 -5.666 -5.281 2.718 1.00 0.00 H
291
+ HETATM 290 HE3 UNL 1 -8.611 -0.761 4.058 1.00 0.00 H
292
+ HETATM 291 HE4 UNL 1 -7.424 -2.012 4.249 1.00 0.00 H
293
+ CONECT 1 2 2 3 4
294
+ CONECT 3 148 149 150
295
+ CONECT 4 5 10
296
+ CONECT 5 6 8 151
297
+ CONECT 6 7 7 11
298
+ CONECT 8 9 152 153
299
+ CONECT 9 10 154 155
300
+ CONECT 10 156 157
301
+ CONECT 11 12 158
302
+ CONECT 12 13 24 159
303
+ CONECT 13 14 160 161
304
+ CONECT 14 15 19 19
305
+ CONECT 15 16 16 17
306
+ CONECT 16 23 162
307
+ CONECT 17 18 20 20
308
+ CONECT 18 19 163
309
+ CONECT 19 164
310
+ CONECT 20 21 165
311
+ CONECT 21 22 23 23
312
+ CONECT 23 166
313
+ CONECT 24 25 25 26
314
+ CONECT 26 27 167
315
+ CONECT 27 28 30 168
316
+ CONECT 28 29 29 37
317
+ CONECT 30 31 169 170
318
+ CONECT 31 32 171 172
319
+ CONECT 32 33 173 174
320
+ CONECT 33 34 175
321
+ CONECT 34 35 35 36
322
+ CONECT 35 176 177
323
+ CONECT 36 178 179
324
+ CONECT 37 38 180
325
+ CONECT 38 39 41 181
326
+ CONECT 39 40 40 45
327
+ CONECT 41 42 182 183
328
+ CONECT 42 43 44 184
329
+ CONECT 43 185 186 187
330
+ CONECT 44 188 189 190
331
+ CONECT 45 46 191
332
+ CONECT 46 47 49 192
333
+ CONECT 47 48 48 56
334
+ CONECT 49 50 193 194
335
+ CONECT 50 51 195 196
336
+ CONECT 51 52 197 198
337
+ CONECT 52 53 199
338
+ CONECT 53 54 54 55
339
+ CONECT 54 200 201
340
+ CONECT 55 202 203
341
+ CONECT 56 57 204
342
+ CONECT 57 58 60 205
343
+ CONECT 58 59 59 65
344
+ CONECT 60 61 206 207
345
+ CONECT 61 62 208 209
346
+ CONECT 62 63 210 211
347
+ CONECT 63 64 212 213
348
+ CONECT 64 214 215 216
349
+ CONECT 65 66 217
350
+ CONECT 66 67 68 218
351
+ CONECT 67 70 219 220
352
+ CONECT 68 69 69 74
353
+ CONECT 70 71 72 221
354
+ CONECT 71 73 222 223
355
+ CONECT 72 73 224 225
356
+ CONECT 73 226 227
357
+ CONECT 74 75 80
358
+ CONECT 75 76 78 228
359
+ CONECT 76 77 77 82
360
+ CONECT 78 79 229 230
361
+ CONECT 79 80 81 231
362
+ CONECT 80 232 233
363
+ CONECT 81 234
364
+ CONECT 82 83 235
365
+ CONECT 83 84 86 236
366
+ CONECT 84 85 85 90
367
+ CONECT 86 87 237 238
368
+ CONECT 87 88 89 89
369
+ CONECT 90 91 239
370
+ CONECT 91 92 94 240
371
+ CONECT 92 93 93 96
372
+ CONECT 94 95 241 242
373
+ CONECT 95 243
374
+ CONECT 96 97 244
375
+ CONECT 97 98 100 245
376
+ CONECT 98 99 99 107
377
+ CONECT 100 101 246 247
378
+ CONECT 101 102 102 103
379
+ CONECT 102 104 248
380
+ CONECT 103 105 105 249
381
+ CONECT 104 106 106 250
382
+ CONECT 105 106 251
383
+ CONECT 106 252
384
+ CONECT 107 108 253
385
+ CONECT 108 109 111 254
386
+ CONECT 109 110 110 122
387
+ CONECT 111 112 255 256
388
+ CONECT 112 113 113 115
389
+ CONECT 113 114 257
390
+ CONECT 114 117 117 258
391
+ CONECT 115 116 116 118
392
+ CONECT 116 117 121
393
+ CONECT 117 259
394
+ CONECT 118 119 119 260
395
+ CONECT 119 120 261
396
+ CONECT 120 121 121 262
397
+ CONECT 121 263
398
+ CONECT 122 123 264
399
+ CONECT 123 124 126 265
400
+ CONECT 124 125 125 131
401
+ CONECT 126 127 266 267
402
+ CONECT 127 128 268 269
403
+ CONECT 128 129 270 271
404
+ CONECT 129 130 272 273
405
+ CONECT 130 274 275 276
406
+ CONECT 131 132 277
407
+ CONECT 132 133 135 278
408
+ CONECT 133 134 134 140
409
+ CONECT 135 136 279 280
410
+ CONECT 136 137 281 282
411
+ CONECT 137 138 139 139
412
+ CONECT 140 141 146
413
+ CONECT 141 142 144 283
414
+ CONECT 142 143 143 147
415
+ CONECT 144 145 284 285
416
+ CONECT 145 146 286 287
417
+ CONECT 146 288 289
418
+ CONECT 147 290 291
419
+ END
6q38/6q38_ligand.mol2 ADDED
@@ -0,0 +1,463 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:11:27 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6q38_ligand
7
+ 220 227 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C2 23.1590 68.2810 9.6700 C.3 1 HEK 0.1200
14
+ 2 N2 27.3230 65.4280 13.0820 N.pl3 1 HEK -0.1625
15
+ 3 C3 24.3140 67.3790 10.0680 C.2 1 HEK 0.2008
16
+ 4 C5 26.4780 66.5620 12.7120 C.3 1 HEK 0.1197
17
+ 5 O6 31.4790 59.7230 13.8590 O.co2 1 HEK -0.5607
18
+ 6 C4 25.3010 66.0500 11.8770 C.3 1 HEK 0.1617
19
+ 7 C10 30.4270 61.0440 15.5420 C.ar 1 HEK 0.0019
20
+ 8 C11 30.2570 61.2620 16.9090 C.ar 1 HEK -0.0501
21
+ 9 C12 29.4450 62.3010 17.3580 C.ar 1 HEK -0.0205
22
+ 10 C13 28.7910 63.1150 16.4350 C.ar 1 HEK -0.0562
23
+ 11 N3 28.5330 63.6990 12.7520 N.2 1 HEK -0.2165
24
+ 12 C9 29.7820 61.8720 14.6250 C.ar 1 HEK -0.0501
25
+ 13 C8 28.9680 62.9120 15.0680 C.ar 1 HEK -0.0205
26
+ 14 C7 28.3480 63.8300 14.0980 C.2 1 HEK 0.0696
27
+ 15 O7 24.8950 63.8530 12.6880 O.2 1 HEK -0.3943
28
+ 16 N1 24.4720 67.1470 11.3760 N.am 1 HEK -0.2612
29
+ 17 C1 21.5290 69.6900 10.7980 C.2 1 HEK 0.1749
30
+ 18 O5 31.7840 59.1560 15.9930 O.co2 1 HEK -0.5607
31
+ 19 C6 27.5710 64.9380 14.3070 C.2 1 HEK 0.0879
32
+ 20 O4 29.2390 61.5200 30.7470 O.2 1 HEK -0.3951
33
+ 21 O3 27.6910 61.6400 27.6340 O.2 1 HEK -0.3947
34
+ 22 O2 28.7310 62.5090 25.0930 O.2 1 HEK -0.3388
35
+ 23 N 22.1080 68.4950 10.6450 N.am 1 HEK -0.2685
36
+ 24 C24 20.4550 69.7740 11.8400 C.3 1 HEK 0.0258
37
+ 25 O 21.8610 70.6680 10.1280 O.2 1 HEK -0.3972
38
+ 26 O1 25.0470 66.8890 9.2100 O.2 1 HEK -0.3947
39
+ 27 N4 27.9160 64.6790 12.1350 N.2 1 HEK -0.0903
40
+ 28 N5 29.3660 62.5440 20.9550 N.pl3 1 HEK -0.1629
41
+ 29 N6 27.1540 61.6700 22.4770 N.am 1 HEK -0.0999
42
+ 30 N7 28.6910 60.2480 25.1600 N.am 1 HEK -0.2633
43
+ 31 N8 27.9570 59.5860 28.5350 N.am 1 HEK -0.2666
44
+ 32 N9 29.6140 59.3540 31.2300 N.am 1 HEK -0.2992
45
+ 33 N10 28.6980 63.6530 20.5940 N.2 1 HEK -0.0905
46
+ 34 N11 28.6600 63.6680 19.2820 N.2 1 HEK -0.2166
47
+ 35 C14 29.3100 62.5680 18.8030 C.2 1 HEK 0.0696
48
+ 36 C15 29.7630 61.8490 19.8760 C.2 1 HEK 0.0877
49
+ 37 C16 29.5930 62.2420 22.3650 C.3 1 HEK 0.1431
50
+ 38 C17 28.5080 61.3470 22.9730 C.3 1 HEK 0.3182
51
+ 39 C18 28.6370 61.4210 24.5250 C.2 1 HEK 0.2624
52
+ 40 C19 29.1690 60.1190 26.5200 C.3 1 HEK 0.1204
53
+ 41 C20 28.1830 60.5130 27.6040 C.2 1 HEK 0.2007
54
+ 42 C21 27.6660 59.9360 29.9090 C.3 1 HEK 0.1198
55
+ 43 C22 28.9080 60.3320 30.6820 C.2 1 HEK 0.1960
56
+ 44 C23 31.2720 59.9110 15.0560 C.2 1 HEK 0.0610
57
+ 45 C 24.4560 64.9700 12.6150 C.2 1 HEK 0.2070
58
+ 46 N 23.1280 65.2260 12.6670 N.am 1 HEK -0.2636
59
+ 47 CA 21.8690 64.4940 12.7840 C.3 1 HEK 0.1311
60
+ 48 C 21.7370 63.3880 11.7400 C.2 1 HEK 0.2039
61
+ 49 O 21.9220 63.6440 10.5480 O.2 1 HEK -0.3944
62
+ 50 CB 20.6590 65.4430 12.7300 C.3 1 HEK -0.0092
63
+ 51 CG 20.4520 66.2510 14.0020 C.3 1 HEK -0.0156
64
+ 52 CD 19.1080 66.9400 13.9830 C.3 1 HEK 0.0627
65
+ 53 NE 19.0940 68.1560 14.7990 N.pl3 1 HEK -0.2723
66
+ 54 CZ 18.3240 68.3350 15.8670 C.cat 1 HEK 0.2882
67
+ 55 NH1 18.3670 69.4780 16.5370 N.pl3 1 HEK -0.2849
68
+ 56 NH2 17.4940 67.3780 16.2650 N.pl3 1 HEK -0.2849
69
+ 57 N 21.4220 62.1590 12.1900 N.am 1 HEK -0.2637
70
+ 58 CA 21.2070 61.0140 11.3100 C.3 1 HEK 0.1312
71
+ 59 C 19.7400 60.5870 11.4170 C.2 1 HEK 0.2040
72
+ 60 O 19.3060 60.1160 12.4750 O.2 1 HEK -0.3944
73
+ 61 CB 22.1790 59.8650 11.6310 C.3 1 HEK -0.0101
74
+ 62 CG 22.0350 58.5550 10.8270 C.3 1 HEK -0.0425
75
+ 63 CD1 22.1410 58.7870 9.3140 C.3 1 HEK -0.0625
76
+ 64 CD2 23.0700 57.5510 11.2620 C.3 1 HEK -0.0625
77
+ 65 N 18.9770 60.8060 10.3190 N.am 1 HEK -0.2621
78
+ 66 CA 17.5370 60.5590 10.1830 C.3 1 HEK 0.1390
79
+ 67 C 16.7210 61.3740 11.2060 C.2 1 HEK 0.2055
80
+ 68 O 15.6930 60.8990 11.7020 O.2 1 HEK -0.3942
81
+ 69 CB 17.1920 59.0570 10.2360 C.3 1 HEK 0.0163
82
+ 70 CG 17.6370 58.2580 9.0310 C.ar 1 HEK -0.0493
83
+ 71 CD1 17.0160 58.4180 7.7950 C.ar 1 HEK -0.0685
84
+ 72 CD2 18.6130 57.2710 9.1480 C.ar 1 HEK -0.0685
85
+ 73 CE1 17.4050 57.6660 6.6870 C.ar 1 HEK -0.0398
86
+ 74 CE2 19.0010 56.5030 8.0510 C.ar 1 HEK -0.0398
87
+ 75 CZ 18.4010 56.7090 6.8190 C.ar 1 HEK 0.0805
88
+ 76 OH 18.7840 55.9560 5.7320 O.3 1 HEK -0.3376
89
+ 77 N 17.2050 62.5850 11.5030 N.am 1 HEK -0.2663
90
+ 78 CA 16.5890 63.5120 12.4470 C.3 1 HEK 0.1201
91
+ 79 C 17.1150 63.4340 13.8680 C.2 1 HEK 0.2009
92
+ 80 O 16.8770 64.3520 14.6610 O.2 1 HEK -0.3947
93
+ 81 N 17.8240 62.3330 14.2090 N.am 1 HEK -0.2622
94
+ 82 CA 18.3780 62.0920 15.5450 C.3 1 HEK 0.1404
95
+ 83 C 19.7580 62.6750 15.7040 C.2 1 HEK 0.2060
96
+ 84 O 20.6340 62.4220 14.8700 O.2 1 HEK -0.3942
97
+ 85 CB 18.4870 60.5830 15.8380 C.3 1 HEK 0.0214
98
+ 86 CG 17.2030 59.7900 15.9050 C.ar 1 HEK -0.0386
99
+ 87 CD1 16.4610 59.7340 17.0790 C.ar 1 HEK -0.0601
100
+ 88 CD2 16.7860 59.0220 14.8250 C.ar 1 HEK -0.0601
101
+ 89 CE1 15.2990 58.9590 17.1540 C.ar 1 HEK -0.0686
102
+ 90 CE2 15.6220 58.2530 14.9020 C.ar 1 HEK -0.0686
103
+ 91 CZ 14.8920 58.2300 16.0640 C.ar 1 HEK -0.0687
104
+ 92 N 19.9880 63.3670 16.8290 N.am 1 HEK -0.2636
105
+ 93 CA 21.3090 63.8790 17.1840 C.3 1 HEK 0.1310
106
+ 94 C 22.1580 62.6630 17.5950 C.2 1 HEK 0.2039
107
+ 95 O 21.6090 61.6290 17.9930 O.2 1 HEK -0.3944
108
+ 96 CB 21.2090 64.8770 18.3570 C.3 1 HEK -0.0122
109
+ 97 CG 20.6230 66.2450 18.0100 C.3 1 HEK -0.0440
110
+ 98 CD 20.0910 66.9400 19.2650 C.3 1 HEK -0.0124
111
+ 99 CE 20.1400 68.4460 19.1860 C.3 1 HEK -0.0354
112
+ 100 NZ 19.5190 69.0800 20.3790 N.4 1 HEK 0.2185
113
+ 101 N 23.4790 62.7690 17.4620 N.am 1 HEK -0.2635
114
+ 102 CA 24.4020 61.6950 17.8350 C.3 1 HEK 0.1335
115
+ 103 C 24.8930 61.9480 19.2570 C.2 1 HEK 0.2042
116
+ 104 O 25.3130 63.0620 19.5770 O.2 1 HEK -0.3944
117
+ 105 CB 25.5580 61.4880 16.8050 C.3 1 HEK -0.0037
118
+ 106 CG1 25.0520 61.4570 15.3320 C.3 1 HEK -0.0491
119
+ 107 CG2 26.4140 60.2550 17.1350 C.3 1 HEK -0.0582
120
+ 108 CD1 24.0230 60.3350 14.9500 C.3 1 HEK -0.0648
121
+ 109 N 24.7980 60.9260 20.0990 N.am 1 HEK -0.2625
122
+ 110 CA 25.1800 61.0250 21.5280 C.3 1 HEK 0.1386
123
+ 111 C 26.6910 60.8290 21.6690 C.2 1 HEK 0.2305
124
+ 112 O 27.1580 59.8190 21.1370 O.2 1 HEK -0.3941
125
+ 113 CB 24.4320 59.9560 22.3250 C.3 1 HEK 0.0145
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451
+ $$$$
6q38/6q38_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q38/6q38_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q38/6q38_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q38/6q38_rdkit_ligand.pdb ADDED
@@ -0,0 +1,325 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ HETATM 59 C33 UNL 1 -5.040 -2.253 -1.538 1.00 0.00 C
61
+ HETATM 60 O10 UNL 1 -4.329 -2.449 -2.588 1.00 0.00 O
62
+ HETATM 61 C34 UNL 1 -6.824 -1.818 -3.198 1.00 0.00 C
63
+ HETATM 62 C35 UNL 1 -7.278 -3.249 -3.311 1.00 0.00 C
64
+ HETATM 63 C36 UNL 1 -8.395 -3.579 -2.353 1.00 0.00 C
65
+ HETATM 64 C37 UNL 1 -7.662 -3.595 -4.740 1.00 0.00 C
66
+ HETATM 65 N18 UNL 1 -4.565 -2.760 -0.328 1.00 0.00 N
67
+ HETATM 66 C38 UNL 1 -5.148 -3.762 0.531 1.00 0.00 C
68
+ HETATM 67 C39 UNL 1 -4.155 -4.164 1.600 1.00 0.00 C
69
+ HETATM 68 O11 UNL 1 -4.473 -3.908 2.812 1.00 0.00 O
70
+ HETATM 69 C40 UNL 1 -5.541 -5.038 -0.139 1.00 0.00 C
71
+ HETATM 70 C41 UNL 1 -6.155 -5.948 0.853 1.00 0.00 C
72
+ HETATM 71 C42 UNL 1 -7.531 -5.851 1.101 1.00 0.00 C
73
+ HETATM 72 C43 UNL 1 -5.470 -6.918 1.538 1.00 0.00 C
74
+ HETATM 73 C44 UNL 1 -8.197 -6.669 1.980 1.00 0.00 C
75
+ HETATM 74 C45 UNL 1 -6.156 -7.750 2.434 1.00 0.00 C
76
+ HETATM 75 C46 UNL 1 -7.509 -7.640 2.665 1.00 0.00 C
77
+ HETATM 76 O12 UNL 1 -8.181 -8.477 3.559 1.00 0.00 O
78
+ HETATM 77 N19 UNL 1 -2.943 -4.782 1.322 1.00 0.00 N
79
+ HETATM 78 C47 UNL 1 -2.042 -4.576 0.218 1.00 0.00 C
80
+ HETATM 79 C48 UNL 1 -1.366 -5.861 -0.162 1.00 0.00 C
81
+ HETATM 80 O13 UNL 1 -2.133 -6.885 -0.047 1.00 0.00 O
82
+ HETATM 81 N20 UNL 1 -0.079 -6.053 -0.600 1.00 0.00 N
83
+ HETATM 82 C49 UNL 1 1.192 -5.749 0.083 1.00 0.00 C
84
+ HETATM 83 C50 UNL 1 1.891 -4.687 -0.670 1.00 0.00 C
85
+ HETATM 84 O14 UNL 1 1.067 -3.800 -1.179 1.00 0.00 O
86
+ HETATM 85 C51 UNL 1 1.945 -7.058 0.055 1.00 0.00 C
87
+ HETATM 86 C52 UNL 1 1.224 -8.140 0.747 1.00 0.00 C
88
+ HETATM 87 C53 UNL 1 0.365 -8.940 0.044 1.00 0.00 C
89
+ HETATM 88 C54 UNL 1 1.388 -8.379 2.086 1.00 0.00 C
90
+ HETATM 89 C55 UNL 1 -0.322 -9.975 0.690 1.00 0.00 C
91
+ HETATM 90 C56 UNL 1 0.712 -9.401 2.733 1.00 0.00 C
92
+ HETATM 91 C57 UNL 1 -0.141 -10.198 2.037 1.00 0.00 C
93
+ HETATM 92 N21 UNL 1 3.269 -4.514 -0.901 1.00 0.00 N
94
+ HETATM 93 C58 UNL 1 4.334 -4.411 0.071 1.00 0.00 C
95
+ HETATM 94 C59 UNL 1 4.551 -3.017 0.544 1.00 0.00 C
96
+ HETATM 95 O15 UNL 1 3.428 -2.341 0.351 1.00 0.00 O
97
+ HETATM 96 C60 UNL 1 5.481 -5.294 -0.078 1.00 0.00 C
98
+ HETATM 97 C61 UNL 1 6.337 -5.327 -1.267 1.00 0.00 C
99
+ HETATM 98 C62 UNL 1 5.792 -5.678 -2.590 1.00 0.00 C
100
+ HETATM 99 C63 UNL 1 5.124 -7.027 -2.689 1.00 0.00 C
101
+ HETATM 100 N22 UNL 1 6.074 -8.073 -2.358 1.00 0.00 N1+
102
+ HETATM 101 N23 UNL 1 5.553 -2.294 1.100 1.00 0.00 N
103
+ HETATM 102 C64 UNL 1 6.682 -1.490 0.737 1.00 0.00 C
104
+ HETATM 103 C65 UNL 1 6.879 -1.183 -0.680 1.00 0.00 C
105
+ HETATM 104 O16 UNL 1 6.219 -1.772 -1.613 1.00 0.00 O
106
+ HETATM 105 C66 UNL 1 7.906 -1.757 1.549 1.00 0.00 C
107
+ HETATM 106 C67 UNL 1 8.524 -3.092 1.528 1.00 0.00 C
108
+ HETATM 107 C68 UNL 1 7.636 -1.411 3.030 1.00 0.00 C
109
+ HETATM 108 C69 UNL 1 9.015 -3.474 0.172 1.00 0.00 C
110
+ HETATM 109 N24 UNL 1 7.810 -0.212 -1.150 1.00 0.00 N
111
+ HETATM 110 C70 UNL 1 7.844 1.185 -0.812 1.00 0.00 C
112
+ HETATM 111 C71 UNL 1 7.767 2.000 -2.082 1.00 0.00 C
113
+ HETATM 112 O17 UNL 1 8.258 1.450 -3.107 1.00 0.00 O
114
+ HETATM 113 C72 UNL 1 9.060 1.648 -0.085 1.00 0.00 C
115
+ HETATM 114 C73 UNL 1 10.332 1.440 -0.804 1.00 0.00 C
116
+ HETATM 115 N25 UNL 1 10.604 0.909 -1.989 1.00 0.00 N
117
+ HETATM 116 C74 UNL 1 11.550 1.818 -0.262 1.00 0.00 C
118
+ HETATM 117 C75 UNL 1 11.940 0.948 -2.191 1.00 0.00 C
119
+ HETATM 118 N26 UNL 1 12.531 1.509 -1.126 1.00 0.00 N
120
+ HETATM 119 O18 UNL 1 6.801 4.528 -2.289 1.00 0.00 O
121
+ HETATM 120 H1 UNL 1 -5.234 7.311 -3.607 1.00 0.00 H
122
+ HETATM 121 H2 UNL 1 -6.632 6.561 -4.400 1.00 0.00 H
123
+ HETATM 122 H3 UNL 1 -6.527 4.155 1.703 1.00 0.00 H
124
+ HETATM 123 H4 UNL 1 -7.020 5.750 1.195 1.00 0.00 H
125
+ HETATM 124 H5 UNL 1 -5.911 3.836 -0.910 1.00 0.00 H
126
+ HETATM 125 H6 UNL 1 2.144 7.853 0.720 1.00 0.00 H
127
+ HETATM 126 H7 UNL 1 -0.616 4.554 -0.091 1.00 0.00 H
128
+ HETATM 127 H8 UNL 1 -1.846 8.285 1.866 1.00 0.00 H
129
+ HETATM 128 H9 UNL 1 -7.445 6.495 -0.967 1.00 0.00 H
130
+ HETATM 129 H10 UNL 1 -3.721 5.169 -0.771 1.00 0.00 H
131
+ HETATM 130 H11 UNL 1 -6.780 8.964 -2.784 1.00 0.00 H
132
+ HETATM 131 H12 UNL 1 -8.786 9.762 -2.053 1.00 0.00 H
133
+ HETATM 132 H13 UNL 1 -10.052 8.630 -1.522 1.00 0.00 H
134
+ HETATM 133 H14 UNL 1 -10.076 9.255 -3.216 1.00 0.00 H
135
+ HETATM 134 H15 UNL 1 7.867 5.846 -0.626 1.00 0.00 H
136
+ HETATM 135 H16 UNL 1 9.147 7.301 -0.604 1.00 0.00 H
137
+ HETATM 136 H17 UNL 1 11.240 11.262 1.852 1.00 0.00 H
138
+ HETATM 137 H18 UNL 1 10.246 12.034 0.572 1.00 0.00 H
139
+ HETATM 138 H19 UNL 1 2.345 3.360 0.280 1.00 0.00 H
140
+ HETATM 139 H20 UNL 1 4.783 3.201 -2.625 1.00 0.00 H
141
+ HETATM 140 H21 UNL 1 4.800 2.340 -1.080 1.00 0.00 H
142
+ HETATM 141 H22 UNL 1 6.954 6.360 2.101 1.00 0.00 H
143
+ HETATM 142 H23 UNL 1 8.266 5.188 2.162 1.00 0.00 H
144
+ HETATM 143 H24 UNL 1 10.689 9.054 -0.646 1.00 0.00 H
145
+ HETATM 144 H25 UNL 1 11.273 8.508 0.937 1.00 0.00 H
146
+ HETATM 145 H26 UNL 1 -9.140 2.017 -0.158 1.00 0.00 H
147
+ HETATM 146 H27 UNL 1 -6.261 2.001 0.382 1.00 0.00 H
148
+ HETATM 147 H28 UNL 1 -8.351 -0.247 0.279 1.00 0.00 H
149
+ HETATM 148 H29 UNL 1 -6.584 -0.375 0.778 1.00 0.00 H
150
+ HETATM 149 H30 UNL 1 -8.046 -0.280 2.716 1.00 0.00 H
151
+ HETATM 150 H31 UNL 1 -6.847 1.002 2.628 1.00 0.00 H
152
+ HETATM 151 H32 UNL 1 -9.890 1.266 1.993 1.00 0.00 H
153
+ HETATM 152 H33 UNL 1 -8.698 2.658 2.034 1.00 0.00 H
154
+ HETATM 153 H34 UNL 1 -8.498 1.306 4.505 1.00 0.00 H
155
+ HETATM 154 H35 UNL 1 -10.723 3.091 2.364 1.00 0.00 H
156
+ HETATM 155 H36 UNL 1 -11.624 3.864 3.680 1.00 0.00 H
157
+ HETATM 156 H37 UNL 1 -10.963 2.269 6.263 1.00 0.00 H
158
+ HETATM 157 H38 UNL 1 -9.958 3.714 6.173 1.00 0.00 H
159
+ HETATM 158 H39 UNL 1 -4.974 0.076 -2.370 1.00 0.00 H
160
+ HETATM 159 H40 UNL 1 -7.105 -1.689 -1.112 1.00 0.00 H
161
+ HETATM 160 H41 UNL 1 -6.030 -1.652 -3.948 1.00 0.00 H
162
+ HETATM 161 H42 UNL 1 -7.698 -1.181 -3.432 1.00 0.00 H
163
+ HETATM 162 H43 UNL 1 -6.420 -3.910 -3.075 1.00 0.00 H
164
+ HETATM 163 H44 UNL 1 -8.045 -3.460 -1.329 1.00 0.00 H
165
+ HETATM 164 H45 UNL 1 -8.744 -4.608 -2.615 1.00 0.00 H
166
+ HETATM 165 H46 UNL 1 -9.248 -2.912 -2.608 1.00 0.00 H
167
+ HETATM 166 H47 UNL 1 -7.563 -4.681 -4.940 1.00 0.00 H
168
+ HETATM 167 H48 UNL 1 -7.121 -3.012 -5.497 1.00 0.00 H
169
+ HETATM 168 H49 UNL 1 -8.772 -3.402 -4.804 1.00 0.00 H
170
+ HETATM 169 H50 UNL 1 -3.631 -2.358 0.048 1.00 0.00 H
171
+ HETATM 170 H51 UNL 1 -6.056 -3.338 0.999 1.00 0.00 H
172
+ HETATM 171 H52 UNL 1 -4.640 -5.577 -0.562 1.00 0.00 H
173
+ HETATM 172 H53 UNL 1 -6.258 -4.945 -0.963 1.00 0.00 H
174
+ HETATM 173 H54 UNL 1 -8.136 -5.101 0.592 1.00 0.00 H
175
+ HETATM 174 H55 UNL 1 -4.410 -7.082 1.417 1.00 0.00 H
176
+ HETATM 175 H56 UNL 1 -9.264 -6.582 2.162 1.00 0.00 H
177
+ HETATM 176 H57 UNL 1 -5.608 -8.521 2.978 1.00 0.00 H
178
+ HETATM 177 H58 UNL 1 -7.821 -8.693 4.484 1.00 0.00 H
179
+ HETATM 178 H59 UNL 1 -2.620 -5.521 2.023 1.00 0.00 H
180
+ HETATM 179 H60 UNL 1 -2.567 -4.267 -0.719 1.00 0.00 H
181
+ HETATM 180 H61 UNL 1 -1.279 -3.860 0.518 1.00 0.00 H
182
+ HETATM 181 H62 UNL 1 0.078 -6.488 -1.562 1.00 0.00 H
183
+ HETATM 182 H63 UNL 1 1.036 -5.374 1.097 1.00 0.00 H
184
+ HETATM 183 H64 UNL 1 2.105 -7.406 -0.995 1.00 0.00 H
185
+ HETATM 184 H65 UNL 1 2.950 -6.993 0.497 1.00 0.00 H
186
+ HETATM 185 H66 UNL 1 0.169 -8.828 -1.009 1.00 0.00 H
187
+ HETATM 186 H67 UNL 1 2.047 -7.772 2.656 1.00 0.00 H
188
+ HETATM 187 H68 UNL 1 -1.006 -10.631 0.172 1.00 0.00 H
189
+ HETATM 188 H69 UNL 1 0.847 -9.585 3.799 1.00 0.00 H
190
+ HETATM 189 H70 UNL 1 -0.663 -10.984 2.539 1.00 0.00 H
191
+ HETATM 190 H71 UNL 1 3.537 -4.430 -1.907 1.00 0.00 H
192
+ HETATM 191 H72 UNL 1 3.770 -4.918 1.007 1.00 0.00 H
193
+ HETATM 192 H73 UNL 1 6.137 -5.108 0.859 1.00 0.00 H
194
+ HETATM 193 H74 UNL 1 5.177 -6.383 0.146 1.00 0.00 H
195
+ HETATM 194 H75 UNL 1 7.253 -5.999 -1.090 1.00 0.00 H
196
+ HETATM 195 H76 UNL 1 6.828 -4.316 -1.387 1.00 0.00 H
197
+ HETATM 196 H77 UNL 1 5.250 -4.948 -3.166 1.00 0.00 H
198
+ HETATM 197 H78 UNL 1 6.745 -5.837 -3.252 1.00 0.00 H
199
+ HETATM 198 H79 UNL 1 4.190 -7.098 -2.116 1.00 0.00 H
200
+ HETATM 199 H80 UNL 1 4.847 -7.176 -3.755 1.00 0.00 H
201
+ HETATM 200 H81 UNL 1 5.785 -8.495 -1.463 1.00 0.00 H
202
+ HETATM 201 H82 UNL 1 6.066 -8.839 -3.077 1.00 0.00 H
203
+ HETATM 202 H83 UNL 1 7.059 -7.720 -2.336 1.00 0.00 H
204
+ HETATM 203 H84 UNL 1 5.487 -2.263 2.226 1.00 0.00 H
205
+ HETATM 204 H85 UNL 1 6.402 -0.404 1.138 1.00 0.00 H
206
+ HETATM 205 H86 UNL 1 8.737 -1.024 1.283 1.00 0.00 H
207
+ HETATM 206 H87 UNL 1 7.904 -3.893 2.001 1.00 0.00 H
208
+ HETATM 207 H88 UNL 1 9.429 -3.041 2.212 1.00 0.00 H
209
+ HETATM 208 H89 UNL 1 8.666 -1.438 3.493 1.00 0.00 H
210
+ HETATM 209 H90 UNL 1 7.226 -0.404 3.144 1.00 0.00 H
211
+ HETATM 210 H91 UNL 1 7.065 -2.219 3.503 1.00 0.00 H
212
+ HETATM 211 H92 UNL 1 8.836 -4.559 -0.059 1.00 0.00 H
213
+ HETATM 212 H93 UNL 1 10.152 -3.414 0.141 1.00 0.00 H
214
+ HETATM 213 H94 UNL 1 8.580 -2.900 -0.664 1.00 0.00 H
215
+ HETATM 214 H95 UNL 1 8.565 -0.547 -1.837 1.00 0.00 H
216
+ HETATM 215 H96 UNL 1 6.968 1.502 -0.180 1.00 0.00 H
217
+ HETATM 216 H97 UNL 1 9.003 2.777 0.073 1.00 0.00 H
218
+ HETATM 217 H98 UNL 1 9.177 1.260 0.945 1.00 0.00 H
219
+ HETATM 218 H99 UNL 1 11.705 2.292 0.711 1.00 0.00 H
220
+ HETATM 219 HA0 UNL 1 12.418 0.569 -3.098 1.00 0.00 H
221
+ HETATM 220 HA1 UNL 1 13.542 1.683 -0.972 1.00 0.00 H
222
+ CONECT 1 3 23 120 121
223
+ CONECT 2 4 19 27
224
+ CONECT 3 16 26 26
225
+ CONECT 4 6 122 123
226
+ CONECT 5 44
227
+ CONECT 6 16 45 124
228
+ CONECT 7 8 12 12 44
229
+ CONECT 8 9 9 125
230
+ CONECT 9 10 35
231
+ CONECT 10 13 13 126
232
+ CONECT 11 14 27 27
233
+ CONECT 12 13 127
234
+ CONECT 13 14
235
+ CONECT 14 19 19
236
+ CONECT 15 45 45
237
+ CONECT 16 128
238
+ CONECT 17 23 24 25 25
239
+ CONECT 18 44 44
240
+ CONECT 19 129
241
+ CONECT 20 43 43
242
+ CONECT 21 41 41
243
+ CONECT 22 39 39
244
+ CONECT 23 130
245
+ CONECT 24 131 132 133
246
+ CONECT 28 33 36 37
247
+ CONECT 29 38 111 119
248
+ CONECT 30 39 40 134
249
+ CONECT 31 41 42 135
250
+ CONECT 32 43 136 137
251
+ CONECT 33 34 34
252
+ CONECT 34 35
253
+ CONECT 35 36 36
254
+ CONECT 36 138
255
+ CONECT 37 38 139 140
256
+ CONECT 38 39 119
257
+ CONECT 40 41 141 142
258
+ CONECT 42 43 143 144
259
+ CONECT 45 46
260
+ CONECT 46 47 145
261
+ CONECT 47 48 50 146
262
+ CONECT 48 49 49 57
263
+ CONECT 50 51 147 148
264
+ CONECT 51 52 149 150
265
+ CONECT 52 53 151 152
266
+ CONECT 53 54 153
267
+ CONECT 54 55 55 56
268
+ CONECT 55 154 155
269
+ CONECT 56 156 157
270
+ CONECT 57 58 158
271
+ CONECT 58 59 61 159
272
+ CONECT 59 60 60 65
273
+ CONECT 61 62 160 161
274
+ CONECT 62 63 64 162
275
+ CONECT 63 163 164 165
276
+ CONECT 64 166 167 168
277
+ CONECT 65 66 169
278
+ CONECT 66 67 69 170
279
+ CONECT 67 68 68 77
280
+ CONECT 69 70 171 172
281
+ CONECT 70 71 71 72
282
+ CONECT 71 73 173
283
+ CONECT 72 74 74 174
284
+ CONECT 73 75 75 175
285
+ CONECT 74 75 176
286
+ CONECT 75 76
287
+ CONECT 76 177
288
+ CONECT 77 78 178
289
+ CONECT 78 79 179 180
290
+ CONECT 79 80 80 81
291
+ CONECT 81 82 181
292
+ CONECT 82 83 85 182
293
+ CONECT 83 84 84 92
294
+ CONECT 85 86 183 184
295
+ CONECT 86 87 87 88
296
+ CONECT 87 89 185
297
+ CONECT 88 90 90 186
298
+ CONECT 89 91 91 187
299
+ CONECT 90 91 188
300
+ CONECT 91 189
301
+ CONECT 92 93 190
302
+ CONECT 93 94 96 191
303
+ CONECT 94 95 95 101
304
+ CONECT 96 97 192 193
305
+ CONECT 97 98 194 195
306
+ CONECT 98 99 196 197
307
+ CONECT 99 100 198 199
308
+ CONECT 100 200 201 202
309
+ CONECT 101 102 203
310
+ CONECT 102 103 105 204
311
+ CONECT 103 104 104 109
312
+ CONECT 105 106 107 205
313
+ CONECT 106 108 206 207
314
+ CONECT 107 208 209 210
315
+ CONECT 108 211 212 213
316
+ CONECT 109 110 214
317
+ CONECT 110 111 113 215
318
+ CONECT 111 112 112
319
+ CONECT 113 114 216 217
320
+ CONECT 114 115 116 116
321
+ CONECT 115 117 117
322
+ CONECT 116 118 218
323
+ CONECT 117 118 219
324
+ CONECT 118 220
325
+ END
6q4q/6q4q_ligand.mol2 ADDED
@@ -0,0 +1,481 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:11:28 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6q4q_ligand
7
+ 228 237 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -16.8710 4.6690 -42.6340 N.am 1 ARG -0.2636
14
+ 2 CA -16.3340 3.7810 -41.6130 C.3 1 ARG 0.1311
15
+ 3 C -17.1830 2.5290 -41.6410 C.2 1 ARG 0.2039
16
+ 4 O -18.3030 2.5760 -42.1460 O.2 1 ARG -0.3944
17
+ 5 CB -16.3960 4.4850 -40.2400 C.3 1 ARG -0.0092
18
+ 6 CG -15.3990 5.6340 -40.0990 C.3 1 ARG -0.0156
19
+ 7 CD -15.5460 6.4020 -38.8040 C.3 1 ARG 0.0627
20
+ 8 NE -14.5910 7.5090 -38.6750 N.pl3 1 ARG -0.2723
21
+ 9 CZ -13.5380 7.5150 -37.8600 C.cat 1 ARG 0.2882
22
+ 10 NH1 -13.2620 6.4540 -37.1140 N.pl3 1 ARG -0.2849
23
+ 11 NH2 -12.7450 8.5810 -37.7930 N.pl3 1 ARG -0.2849
24
+ 12 N -16.6290 1.3880 -41.1760 N.am 1 ARG -0.2637
25
+ 13 CA -17.3730 0.1550 -41.0170 C.3 1 ARG 0.1312
26
+ 14 C -17.2540 -0.1500 -39.5320 C.2 1 ARG 0.2040
27
+ 15 O -16.1290 -0.2750 -39.0120 O.2 1 ARG -0.3944
28
+ 16 CB -16.8400 -1.0070 -41.8720 C.3 1 ARG -0.0101
29
+ 17 CG -17.6630 -2.3060 -41.8270 C.3 1 ARG -0.0425
30
+ 18 CD1 -19.1350 -2.0830 -42.2020 C.3 1 ARG -0.0625
31
+ 19 CD2 -17.0510 -3.3660 -42.7320 C.3 1 ARG -0.0625
32
+ 20 N -18.4090 -0.1640 -38.8370 N.am 1 ARG -0.2621
33
+ 21 CA -18.4790 -0.3730 -37.3870 C.3 1 ARG 0.1390
34
+ 22 C -17.5320 0.5740 -36.6480 C.2 1 ARG 0.2055
35
+ 23 O -16.9030 0.2030 -35.6510 O.2 1 ARG -0.3942
36
+ 24 CB -18.2670 -1.8560 -37.0090 C.3 1 ARG 0.0163
37
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+ M END
467
+ $$$$
6q4q/6q4q_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q4q/6q4q_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q4q/6q4q_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6q4q/6q4q_rdkit_ligand.pdb ADDED
@@ -0,0 +1,340 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6q4q_ligand
2
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3
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4
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5
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6
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7
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8
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9
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10
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11
+ HETATM 10 N3 UNL 1 9.913 0.897 5.329 1.00 0.00 N1+
12
+ HETATM 11 N4 UNL 1 10.389 2.768 6.636 1.00 0.00 N
13
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14
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15
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16
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17
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18
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19
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20
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21
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22
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23
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24
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25
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26
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27
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28
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29
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32
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33
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34
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38
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44
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47
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49
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
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67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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94
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95
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96
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111
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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137
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140
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141
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144
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147
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152
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153
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
+ HETATM 168 H43 UNL 1 0.534 -9.476 0.602 1.00 0.00 H
170
+ HETATM 169 H44 UNL 1 -3.487 -9.488 -0.845 1.00 0.00 H
171
+ HETATM 170 H45 UNL 1 -1.567 -10.734 0.104 1.00 0.00 H
172
+ HETATM 171 H46 UNL 1 -4.756 -5.678 0.761 1.00 0.00 H
173
+ HETATM 172 H47 UNL 1 -4.290 -4.604 -1.714 1.00 0.00 H
174
+ HETATM 173 H48 UNL 1 -6.587 -4.255 -2.021 1.00 0.00 H
175
+ HETATM 174 H49 UNL 1 -6.944 -4.732 -0.297 1.00 0.00 H
176
+ HETATM 175 H50 UNL 1 -5.602 -6.841 -0.631 1.00 0.00 H
177
+ HETATM 176 H51 UNL 1 -5.399 -6.435 -2.353 1.00 0.00 H
178
+ HETATM 177 H52 UNL 1 -7.085 -8.024 -2.101 1.00 0.00 H
179
+ HETATM 178 H53 UNL 1 -7.984 -7.127 -0.875 1.00 0.00 H
180
+ HETATM 179 H54 UNL 1 -7.611 -6.418 -3.878 1.00 0.00 H
181
+ HETATM 180 H55 UNL 1 -8.339 -5.335 -2.679 1.00 0.00 H
182
+ HETATM 181 H56 UNL 1 -9.101 -8.142 -3.257 1.00 0.00 H
183
+ HETATM 182 H57 UNL 1 -10.036 -7.007 -2.340 1.00 0.00 H
184
+ HETATM 183 H58 UNL 1 -9.749 -6.795 -4.038 1.00 0.00 H
185
+ HETATM 184 H59 UNL 1 -6.004 -1.274 -1.577 1.00 0.00 H
186
+ HETATM 185 H60 UNL 1 -7.581 -1.151 0.037 1.00 0.00 H
187
+ HETATM 186 H61 UNL 1 -7.256 -1.003 2.370 1.00 0.00 H
188
+ HETATM 187 H62 UNL 1 -5.640 -1.683 2.368 1.00 0.00 H
189
+ HETATM 188 H63 UNL 1 -5.574 -4.301 2.617 1.00 0.00 H
190
+ HETATM 189 H64 UNL 1 -7.335 -6.142 2.800 1.00 0.00 H
191
+ HETATM 190 H65 UNL 1 -9.578 -1.597 1.189 1.00 0.00 H
192
+ HETATM 191 H66 UNL 1 -10.045 -6.330 2.377 1.00 0.00 H
193
+ HETATM 192 H67 UNL 1 -11.759 -2.648 1.094 1.00 0.00 H
194
+ HETATM 193 H68 UNL 1 -12.028 -5.090 1.710 1.00 0.00 H
195
+ HETATM 194 H69 UNL 1 -4.516 1.527 0.269 1.00 0.00 H
196
+ HETATM 195 H70 UNL 1 -4.821 1.154 -2.079 1.00 0.00 H
197
+ HETATM 196 H71 UNL 1 -4.038 3.422 -3.274 1.00 0.00 H
198
+ HETATM 197 H72 UNL 1 -6.958 0.519 -2.653 1.00 0.00 H
199
+ HETATM 198 H73 UNL 1 -6.730 2.164 -3.202 1.00 0.00 H
200
+ HETATM 199 H74 UNL 1 -8.549 3.977 -2.390 1.00 0.00 H
201
+ HETATM 200 H75 UNL 1 -10.794 1.443 0.134 1.00 0.00 H
202
+ HETATM 201 H76 UNL 1 -10.679 3.767 -1.055 1.00 0.00 H
203
+ HETATM 202 H77 UNL 1 8.139 6.009 -3.797 1.00 0.00 H
204
+ HETATM 203 H78 UNL 1 9.070 7.075 -2.718 1.00 0.00 H
205
+ HETATM 204 H79 UNL 1 6.388 4.508 1.836 1.00 0.00 H
206
+ HETATM 205 H80 UNL 1 6.972 6.067 1.197 1.00 0.00 H
207
+ HETATM 206 H81 UNL 1 8.163 4.054 0.396 1.00 0.00 H
208
+ HETATM 207 H82 UNL 1 -1.857 8.171 -0.699 1.00 0.00 H
209
+ HETATM 208 H83 UNL 1 0.518 4.981 1.158 1.00 0.00 H
210
+ HETATM 209 H84 UNL 1 2.267 8.185 -1.287 1.00 0.00 H
211
+ HETATM 210 H85 UNL 1 6.931 5.967 -1.484 1.00 0.00 H
212
+ HETATM 211 H86 UNL 1 3.664 5.833 2.167 1.00 0.00 H
213
+ HETATM 212 H87 UNL 1 11.058 6.377 -3.819 1.00 0.00 H
214
+ HETATM 213 H88 UNL 1 11.570 4.565 -6.183 1.00 0.00 H
215
+ HETATM 214 H89 UNL 1 11.888 3.090 -5.241 1.00 0.00 H
216
+ HETATM 215 H90 UNL 1 12.563 4.711 -4.727 1.00 0.00 H
217
+ HETATM 216 H91 UNL 1 -4.729 5.079 -0.849 1.00 0.00 H
218
+ HETATM 217 H92 UNL 1 -6.467 6.257 -1.508 1.00 0.00 H
219
+ HETATM 218 H93 UNL 1 -9.418 9.597 0.227 1.00 0.00 H
220
+ HETATM 219 H94 UNL 1 -8.803 12.060 3.939 1.00 0.00 H
221
+ HETATM 220 H95 UNL 1 -10.212 12.915 3.227 1.00 0.00 H
222
+ HETATM 221 H96 UNL 1 -2.581 3.922 0.277 1.00 0.00 H
223
+ HETATM 222 H97 UNL 1 -5.978 4.899 2.285 1.00 0.00 H
224
+ HETATM 223 H98 UNL 1 -5.102 3.372 1.982 1.00 0.00 H
225
+ HETATM 224 H99 UNL 1 -6.799 3.306 0.448 1.00 0.00 H
226
+ HETATM 225 HA0 UNL 1 -7.965 8.108 -1.492 1.00 0.00 H
227
+ HETATM 226 HA1 UNL 1 -9.106 6.990 -0.622 1.00 0.00 H
228
+ HETATM 227 HA2 UNL 1 -7.480 10.579 2.119 1.00 0.00 H
229
+ HETATM 228 HA3 UNL 1 -8.561 9.483 3.001 1.00 0.00 H
230
+ CONECT 1 2 125 126
231
+ CONECT 2 3 5 127
232
+ CONECT 3 4 4 12
233
+ CONECT 5 6 128 129
234
+ CONECT 6 7 130 131
235
+ CONECT 7 8 132 133
236
+ CONECT 8 9 134
237
+ CONECT 9 10 10 11
238
+ CONECT 10 135 136
239
+ CONECT 11 137 138
240
+ CONECT 12 13 139
241
+ CONECT 13 14 16 140
242
+ CONECT 14 15 15 20
243
+ CONECT 16 17 141 142
244
+ CONECT 17 18 19 143
245
+ CONECT 18 144 145 146
246
+ CONECT 19 147 148 149
247
+ CONECT 20 21 150
248
+ CONECT 21 22 24 151
249
+ CONECT 22 23 23 32
250
+ CONECT 24 25 152 153
251
+ CONECT 25 26 26 27
252
+ CONECT 26 28 154
253
+ CONECT 27 29 29 155
254
+ CONECT 28 30 30 156
255
+ CONECT 29 30 157
256
+ CONECT 30 31
257
+ CONECT 31 158
258
+ CONECT 32 33 159
259
+ CONECT 33 34 160 161
260
+ CONECT 34 35 35 36
261
+ CONECT 36 37 162
262
+ CONECT 37 38 40 163
263
+ CONECT 38 39 39 47
264
+ CONECT 40 41 164 165
265
+ CONECT 41 42 42 43
266
+ CONECT 42 44 166
267
+ CONECT 43 45 45 167
268
+ CONECT 44 46 46 168
269
+ CONECT 45 46 169
270
+ CONECT 46 170
271
+ CONECT 47 48 171
272
+ CONECT 48 49 51 172
273
+ CONECT 49 50 50 56
274
+ CONECT 51 52 173 174
275
+ CONECT 52 53 175 176
276
+ CONECT 53 54 177 178
277
+ CONECT 54 55 179 180
278
+ CONECT 55 181 182 183
279
+ CONECT 56 57 184
280
+ CONECT 57 58 60 185
281
+ CONECT 58 59 59 70
282
+ CONECT 60 61 186 187
283
+ CONECT 61 62 62 63
284
+ CONECT 62 64 188
285
+ CONECT 63 65 65 66
286
+ CONECT 64 65 189
287
+ CONECT 65 67
288
+ CONECT 66 68 68 190
289
+ CONECT 67 69 69 191
290
+ CONECT 68 69 192
291
+ CONECT 69 193
292
+ CONECT 70 71 194
293
+ CONECT 71 72 74 195
294
+ CONECT 72 73 80 109
295
+ CONECT 73 196
296
+ CONECT 74 75 197 198
297
+ CONECT 75 76 77 77
298
+ CONECT 76 78 78
299
+ CONECT 77 79 199
300
+ CONECT 78 79 200
301
+ CONECT 79 201
302
+ CONECT 80 109
303
+ CONECT 81 83 103 202 203
304
+ CONECT 82 84 99 107
305
+ CONECT 83 96 106 106
306
+ CONECT 84 86 204 205
307
+ CONECT 85 124
308
+ CONECT 86 96 125 206
309
+ CONECT 87 88 92 92 124
310
+ CONECT 88 89 89 207
311
+ CONECT 89 90 115
312
+ CONECT 90 93 93 208
313
+ CONECT 91 94 107 107
314
+ CONECT 92 93 209
315
+ CONECT 93 94
316
+ CONECT 94 99 99
317
+ CONECT 95 125 125
318
+ CONECT 96 210
319
+ CONECT 97 103 104 105 105
320
+ CONECT 98 124 124
321
+ CONECT 99 211
322
+ CONECT 100 123 123
323
+ CONECT 101 121 121
324
+ CONECT 102 119 119
325
+ CONECT 103 212
326
+ CONECT 104 213 214 215
327
+ CONECT 108 113 116 117
328
+ CONECT 109 118 216
329
+ CONECT 110 119 120 217
330
+ CONECT 111 121 122 218
331
+ CONECT 112 123 219 220
332
+ CONECT 113 114 114
333
+ CONECT 114 115
334
+ CONECT 115 116 116
335
+ CONECT 116 221
336
+ CONECT 117 118 222 223
337
+ CONECT 118 119 224
338
+ CONECT 120 121 225 226
339
+ CONECT 122 123 227 228
340
+ END
6qfe/6qfe_ligand.mol2 ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:16:31 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qfe_ligand
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12
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57
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58
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62
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 J08 1
125
+
6qfe/6qfe_ligand.sdf ADDED
@@ -0,0 +1,111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6qfe_ligand
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+ -I-interpret-
3
+
4
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55
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106
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107
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108
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109
+ 30 51 1 0 0 0
110
+ M END
111
+ $$$$
6qfe/6qfe_protein_alphafold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qfe/6qfe_protein_esmfold_aligned_tr_fix.pdb ADDED
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6qfe/6qfe_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qfe/6qfe_rdkit_ligand.pdb ADDED
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+ COMPND 6qfe_ligand
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+ HETATM 1 C1 UNL 1 2.547 1.263 1.327 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 4.118 1.791 -0.140 1.00 0.00 C
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+ HETATM 3 C3 UNL 1 5.660 -0.233 0.096 1.00 0.00 C
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+ HETATM 4 C4 UNL 1 7.686 -0.577 -1.118 1.00 0.00 C
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+ HETATM 5 C5 UNL 1 5.836 -1.423 0.756 1.00 0.00 C
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+ HETATM 6 C6 UNL 1 -1.589 -0.086 0.247 1.00 0.00 C
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+ HETATM 7 C7 UNL 1 -2.461 0.105 -0.784 1.00 0.00 C
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+ HETATM 8 C8 UNL 1 -3.942 -1.947 -0.796 1.00 0.00 C
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+ HETATM 9 C9 UNL 1 -5.836 -1.617 0.756 1.00 0.00 C
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+ HETATM 10 C10 UNL 1 -5.720 -2.226 3.019 1.00 0.00 C
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+ HETATM 11 N1 UNL 1 -2.591 2.262 -3.763 1.00 0.00 N
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+ HETATM 12 C11 UNL 1 -3.192 1.627 -2.629 1.00 0.00 C
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+ HETATM 13 N2 UNL 1 -4.439 1.347 -2.582 1.00 0.00 N1+
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+ HETATM 14 C12 UNL 1 -2.329 1.296 -1.518 1.00 0.00 C
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+ HETATM 15 C13 UNL 1 -1.350 2.214 -1.186 1.00 0.00 C
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+ HETATM 16 C14 UNL 1 -0.508 1.947 -0.129 1.00 0.00 C
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+ HETATM 17 C15 UNL 1 -0.589 0.796 0.627 1.00 0.00 C
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+ HETATM 18 N3 UNL 1 0.245 0.519 1.713 1.00 0.00 N
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+ HETATM 19 C16 UNL 1 1.343 1.263 2.218 1.00 0.00 C
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+ HETATM 24 C19 UNL 1 7.846 -1.766 -0.448 1.00 0.00 C
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+ HETATM 28 C22 UNL 1 -6.450 -1.698 1.972 1.00 0.00 C
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+ HETATM 29 N6 UNL 1 -4.454 -2.642 2.848 1.00 0.00 N
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+ HETATM 30 C23 UNL 1 -3.855 -2.554 1.629 1.00 0.00 C
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+ HETATM 36 H6 UNL 1 -3.172 -2.787 -0.812 1.00 0.00 H
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+ HETATM 41 H11 UNL 1 -4.883 0.892 -1.774 1.00 0.00 H
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+ HETATM 43 H13 UNL 1 -1.233 3.142 -1.744 1.00 0.00 H
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+ HETATM 44 H14 UNL 1 0.223 2.693 0.093 1.00 0.00 H
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+ HETATM 45 H15 UNL 1 0.043 -0.386 2.259 1.00 0.00 H
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+ HETATM 53 H23 UNL 1 -2.847 -2.905 1.545 1.00 0.00 H
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+ CONECT 1 19 20 20 22
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+ CONECT 2 21 21 22 31
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+ CONECT 3 5 5 21 23
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+ CONECT 4 23 23 24 32
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+ CONECT 5 25 33
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+ CONECT 6 7 7 17 34
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+ CONECT 7 14 26
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+ CONECT 8 26 27 35 36
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+ CONECT 9 27 27 28 37
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+ CONECT 10 28 28 29 38
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+ CONECT 11 12 39 40
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+ CONECT 12 13 13 14
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+ CONECT 13 41 42
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+ CONECT 14 15 15
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+ CONECT 15 16 43
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+ CONECT 24 25 25 50
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+ CONECT 25 51
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+ CONECT 27 30
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+ CONECT 28 52
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+ CONECT 29 30 30
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+ CONECT 30 53
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+ END
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+ ###
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+ 31 60 1 0 0 0
134
+ 32 61 1 0 0 0
135
+ 33 62 1 0 0 0
136
+ 34 63 1 0 0 0
137
+ 37 64 1 0 0 0
138
+ 38 65 1 0 0 0
139
+ M END
140
+ $$$$
6qge/6qge_protein_alphafold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1103 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 N LEU A 1 3.791 4.308 7.904 1.00 0.00 N
2
+ ATOM 2 CA LEU A 1 3.472 4.048 6.504 1.00 0.00 C
3
+ ATOM 3 C LEU A 1 2.871 5.286 5.846 1.00 0.00 C
4
+ ATOM 4 CB LEU A 1 2.502 2.870 6.384 1.00 0.00 C
5
+ ATOM 5 O LEU A 1 2.120 6.029 6.481 1.00 0.00 O
6
+ ATOM 6 CG LEU A 1 2.977 1.539 6.969 1.00 0.00 C
7
+ ATOM 7 CD1 LEU A 1 1.848 0.515 6.938 1.00 0.00 C
8
+ ATOM 8 CD2 LEU A 1 4.195 1.025 6.210 1.00 0.00 C
9
+ ATOM 9 N ILE A 2 3.123 5.434 4.580 1.00 0.00 N
10
+ ATOM 10 CA ILE A 2 2.635 6.632 3.905 1.00 0.00 C
11
+ ATOM 11 C ILE A 2 1.229 6.383 3.364 1.00 0.00 C
12
+ ATOM 12 CB ILE A 2 3.581 7.061 2.761 1.00 0.00 C
13
+ ATOM 13 O ILE A 2 0.988 5.385 2.681 1.00 0.00 O
14
+ ATOM 14 CG1 ILE A 2 4.980 7.365 3.311 1.00 0.00 C
15
+ ATOM 15 CG2 ILE A 2 3.011 8.271 2.014 1.00 0.00 C
16
+ ATOM 16 CD1 ILE A 2 6.027 7.610 2.234 1.00 0.00 C
17
+ ATOM 17 N VAL A 3 0.314 7.334 3.558 1.00 0.00 N
18
+ ATOM 18 CA VAL A 3 -1.076 7.264 3.122 1.00 0.00 C
19
+ ATOM 19 C VAL A 3 -1.277 8.148 1.893 1.00 0.00 C
20
+ ATOM 20 CB VAL A 3 -2.047 7.685 4.247 1.00 0.00 C
21
+ ATOM 21 O VAL A 3 -0.782 9.277 1.845 1.00 0.00 O
22
+ ATOM 22 CG1 VAL A 3 -3.486 7.714 3.735 1.00 0.00 C
23
+ ATOM 23 CG2 VAL A 3 -1.920 6.742 5.441 1.00 0.00 C
24
+ ATOM 24 N PRO A 4 -1.974 7.681 0.844 1.00 0.00 N
25
+ ATOM 25 CA PRO A 4 -2.712 6.420 0.744 1.00 0.00 C
26
+ ATOM 26 C PRO A 4 -1.794 5.201 0.701 1.00 0.00 C
27
+ ATOM 27 CB PRO A 4 -3.485 6.569 -0.569 1.00 0.00 C
28
+ ATOM 28 O PRO A 4 -0.692 5.273 0.151 1.00 0.00 O
29
+ ATOM 29 CG PRO A 4 -2.652 7.487 -1.402 1.00 0.00 C
30
+ ATOM 30 CD PRO A 4 -1.953 8.455 -0.491 1.00 0.00 C
31
+ ATOM 31 N TYR A 5 -2.236 4.176 1.369 1.00 0.00 N
32
+ ATOM 32 CA TYR A 5 -1.487 2.930 1.493 1.00 0.00 C
33
+ ATOM 33 C TYR A 5 -2.265 1.763 0.897 1.00 0.00 C
34
+ ATOM 34 CB TYR A 5 -1.158 2.644 2.961 1.00 0.00 C
35
+ ATOM 35 O TYR A 5 -3.488 1.689 1.037 1.00 0.00 O
36
+ ATOM 36 CG TYR A 5 -0.343 1.391 3.168 1.00 0.00 C
37
+ ATOM 37 CD1 TYR A 5 -0.941 0.209 3.596 1.00 0.00 C
38
+ ATOM 38 CD2 TYR A 5 1.029 1.387 2.937 1.00 0.00 C
39
+ ATOM 39 CE1 TYR A 5 -0.194 -0.948 3.790 1.00 0.00 C
40
+ ATOM 40 CE2 TYR A 5 1.787 0.236 3.127 1.00 0.00 C
41
+ ATOM 41 OH TYR A 5 1.913 -2.067 3.743 1.00 0.00 O
42
+ ATOM 42 CZ TYR A 5 1.167 -0.925 3.553 1.00 0.00 C
43
+ ATOM 43 N ASN A 6 -1.561 0.815 0.245 1.00 0.00 N
44
+ ATOM 44 CA ASN A 6 -2.135 -0.413 -0.293 1.00 0.00 C
45
+ ATOM 45 C ASN A 6 -1.519 -1.650 0.354 1.00 0.00 C
46
+ ATOM 46 CB ASN A 6 -1.961 -0.466 -1.812 1.00 0.00 C
47
+ ATOM 47 O ASN A 6 -0.328 -1.916 0.184 1.00 0.00 O
48
+ ATOM 48 CG ASN A 6 -2.824 0.549 -2.536 1.00 0.00 C
49
+ ATOM 49 ND2 ASN A 6 -2.188 1.437 -3.291 1.00 0.00 N
50
+ ATOM 50 OD1 ASN A 6 -4.051 0.536 -2.415 1.00 0.00 O
51
+ ATOM 51 N LEU A 7 -2.339 -2.364 1.039 1.00 0.00 N
52
+ ATOM 52 CA LEU A 7 -1.961 -3.687 1.525 1.00 0.00 C
53
+ ATOM 53 C LEU A 7 -2.343 -4.765 0.516 1.00 0.00 C
54
+ ATOM 54 CB LEU A 7 -2.629 -3.973 2.873 1.00 0.00 C
55
+ ATOM 55 O LEU A 7 -3.527 -5.057 0.332 1.00 0.00 O
56
+ ATOM 56 CG LEU A 7 -2.300 -5.319 3.519 1.00 0.00 C
57
+ ATOM 57 CD1 LEU A 7 -0.808 -5.412 3.823 1.00 0.00 C
58
+ ATOM 58 CD2 LEU A 7 -3.123 -5.519 4.788 1.00 0.00 C
59
+ ATOM 59 N PRO A 8 -1.354 -5.416 -0.108 1.00 0.00 N
60
+ ATOM 60 CA PRO A 8 -1.667 -6.545 -0.987 1.00 0.00 C
61
+ ATOM 61 C PRO A 8 -2.175 -7.765 -0.222 1.00 0.00 C
62
+ ATOM 62 CB PRO A 8 -0.327 -6.845 -1.665 1.00 0.00 C
63
+ ATOM 63 O PRO A 8 -1.689 -8.058 0.873 1.00 0.00 O
64
+ ATOM 64 CG PRO A 8 0.706 -6.403 -0.679 1.00 0.00 C
65
+ ATOM 65 CD PRO A 8 0.139 -5.278 0.136 1.00 0.00 C
66
+ ATOM 66 N LEU A 9 -3.124 -8.418 -0.758 1.00 0.00 N
67
+ ATOM 67 CA LEU A 9 -3.688 -9.668 -0.257 1.00 0.00 C
68
+ ATOM 68 C LEU A 9 -3.550 -10.780 -1.291 1.00 0.00 C
69
+ ATOM 69 CB LEU A 9 -5.163 -9.478 0.112 1.00 0.00 C
70
+ ATOM 70 O LEU A 9 -4.536 -11.183 -1.911 1.00 0.00 O
71
+ ATOM 71 CG LEU A 9 -5.471 -8.373 1.123 1.00 0.00 C
72
+ ATOM 72 CD1 LEU A 9 -6.978 -8.159 1.231 1.00 0.00 C
73
+ ATOM 73 CD2 LEU A 9 -4.875 -8.711 2.485 1.00 0.00 C
74
+ ATOM 74 N PRO A 10 -2.352 -11.322 -1.313 1.00 0.00 N
75
+ ATOM 75 CA PRO A 10 -2.118 -12.349 -2.329 1.00 0.00 C
76
+ ATOM 76 C PRO A 10 -3.040 -13.556 -2.174 1.00 0.00 C
77
+ ATOM 77 CB PRO A 10 -0.657 -12.746 -2.100 1.00 0.00 C
78
+ ATOM 78 O PRO A 10 -3.192 -14.083 -1.069 1.00 0.00 O
79
+ ATOM 79 CG PRO A 10 -0.345 -12.272 -0.717 1.00 0.00 C
80
+ ATOM 80 CD PRO A 10 -1.347 -11.220 -0.336 1.00 0.00 C
81
+ ATOM 81 N GLY A 11 -3.802 -13.913 -3.095 1.00 0.00 N
82
+ ATOM 82 CA GLY A 11 -4.751 -15.014 -3.074 1.00 0.00 C
83
+ ATOM 83 C GLY A 11 -6.141 -14.595 -2.629 1.00 0.00 C
84
+ ATOM 84 O GLY A 11 -7.024 -15.437 -2.460 1.00 0.00 O
85
+ ATOM 85 N GLY A 12 -6.229 -13.384 -2.361 1.00 0.00 N
86
+ ATOM 86 CA GLY A 12 -7.492 -12.817 -1.915 1.00 0.00 C
87
+ ATOM 87 C GLY A 12 -7.730 -12.986 -0.427 1.00 0.00 C
88
+ ATOM 88 O GLY A 12 -6.830 -13.399 0.308 1.00 0.00 O
89
+ ATOM 89 N VAL A 13 -8.955 -12.549 0.017 1.00 0.00 N
90
+ ATOM 90 CA VAL A 13 -9.325 -12.781 1.409 1.00 0.00 C
91
+ ATOM 91 C VAL A 13 -9.983 -14.152 1.547 1.00 0.00 C
92
+ ATOM 92 CB VAL A 13 -10.272 -11.680 1.936 1.00 0.00 C
93
+ ATOM 93 O VAL A 13 -10.670 -14.613 0.632 1.00 0.00 O
94
+ ATOM 94 CG1 VAL A 13 -9.596 -10.311 1.873 1.00 0.00 C
95
+ ATOM 95 CG2 VAL A 13 -11.576 -11.672 1.141 1.00 0.00 C
96
+ ATOM 96 N VAL A 14 -9.809 -14.768 2.723 1.00 0.00 N
97
+ ATOM 97 CA VAL A 14 -10.405 -16.064 3.031 1.00 0.00 C
98
+ ATOM 98 C VAL A 14 -11.035 -16.025 4.423 1.00 0.00 C
99
+ ATOM 99 CB VAL A 14 -9.363 -17.202 2.950 1.00 0.00 C
100
+ ATOM 100 O VAL A 14 -10.613 -15.246 5.280 1.00 0.00 O
101
+ ATOM 101 CG1 VAL A 14 -8.867 -17.378 1.516 1.00 0.00 C
102
+ ATOM 102 CG2 VAL A 14 -8.194 -16.924 3.893 1.00 0.00 C
103
+ ATOM 103 N PRO A 15 -12.102 -16.842 4.646 1.00 0.00 N
104
+ ATOM 104 CA PRO A 15 -12.664 -16.883 5.998 1.00 0.00 C
105
+ ATOM 105 C PRO A 15 -11.598 -17.078 7.074 1.00 0.00 C
106
+ ATOM 106 CB PRO A 15 -13.615 -18.081 5.948 1.00 0.00 C
107
+ ATOM 107 O PRO A 15 -10.657 -17.853 6.884 1.00 0.00 O
108
+ ATOM 108 CG PRO A 15 -14.077 -18.144 4.528 1.00 0.00 C
109
+ ATOM 109 CD PRO A 15 -12.918 -17.805 3.634 1.00 0.00 C
110
+ ATOM 110 N ARG A 16 -11.714 -16.406 8.146 1.00 0.00 N
111
+ ATOM 111 CA ARG A 16 -10.872 -16.422 9.338 1.00 0.00 C
112
+ ATOM 112 C ARG A 16 -9.596 -15.614 9.118 1.00 0.00 C
113
+ ATOM 113 CB ARG A 16 -10.521 -17.858 9.730 1.00 0.00 C
114
+ ATOM 114 O ARG A 16 -8.705 -15.607 9.969 1.00 0.00 O
115
+ ATOM 115 CG ARG A 16 -11.727 -18.709 10.097 1.00 0.00 C
116
+ ATOM 116 CD ARG A 16 -11.313 -20.032 10.726 1.00 0.00 C
117
+ ATOM 117 NE ARG A 16 -10.499 -19.828 11.922 1.00 0.00 N
118
+ ATOM 118 NH1 ARG A 16 -11.891 -21.027 13.323 1.00 0.00 N
119
+ ATOM 119 NH2 ARG A 16 -9.982 -20.061 14.147 1.00 0.00 N
120
+ ATOM 120 CZ ARG A 16 -10.792 -20.307 13.128 1.00 0.00 C
121
+ ATOM 121 N MET A 17 -9.486 -14.976 8.043 1.00 0.00 N
122
+ ATOM 122 CA MET A 17 -8.457 -13.951 7.893 1.00 0.00 C
123
+ ATOM 123 C MET A 17 -8.799 -12.712 8.716 1.00 0.00 C
124
+ ATOM 124 CB MET A 17 -8.287 -13.570 6.421 1.00 0.00 C
125
+ ATOM 125 O MET A 17 -9.898 -12.168 8.598 1.00 0.00 O
126
+ ATOM 126 CG MET A 17 -7.158 -12.585 6.170 1.00 0.00 C
127
+ ATOM 127 SD MET A 17 -7.002 -12.132 4.398 1.00 0.00 S
128
+ ATOM 128 CE MET A 17 -6.286 -13.663 3.738 1.00 0.00 C
129
+ ATOM 129 N LEU A 18 -7.826 -12.302 9.570 1.00 0.00 N
130
+ ATOM 130 CA LEU A 18 -7.936 -11.100 10.391 1.00 0.00 C
131
+ ATOM 131 C LEU A 18 -6.991 -10.012 9.892 1.00 0.00 C
132
+ ATOM 132 CB LEU A 18 -7.632 -11.423 11.857 1.00 0.00 C
133
+ ATOM 133 O LEU A 18 -5.773 -10.204 9.868 1.00 0.00 O
134
+ ATOM 134 CG LEU A 18 -7.737 -10.259 12.843 1.00 0.00 C
135
+ ATOM 135 CD1 LEU A 18 -9.183 -9.783 12.948 1.00 0.00 C
136
+ ATOM 136 CD2 LEU A 18 -7.203 -10.668 14.211 1.00 0.00 C
137
+ ATOM 137 N ILE A 19 -7.514 -8.890 9.503 1.00 0.00 N
138
+ ATOM 138 CA ILE A 19 -6.739 -7.716 9.116 1.00 0.00 C
139
+ ATOM 139 C ILE A 19 -6.676 -6.732 10.282 1.00 0.00 C
140
+ ATOM 140 CB ILE A 19 -7.336 -7.030 7.868 1.00 0.00 C
141
+ ATOM 141 O ILE A 19 -7.701 -6.414 10.890 1.00 0.00 O
142
+ ATOM 142 CG1 ILE A 19 -7.377 -8.008 6.688 1.00 0.00 C
143
+ ATOM 143 CG2 ILE A 19 -6.539 -5.772 7.509 1.00 0.00 C
144
+ ATOM 144 CD1 ILE A 19 -8.664 -8.815 6.598 1.00 0.00 C
145
+ ATOM 145 N THR A 20 -5.484 -6.276 10.609 1.00 0.00 N
146
+ ATOM 146 CA THR A 20 -5.260 -5.332 11.698 1.00 0.00 C
147
+ ATOM 147 C THR A 20 -4.617 -4.050 11.177 1.00 0.00 C
148
+ ATOM 148 CB THR A 20 -4.371 -5.946 12.796 1.00 0.00 C
149
+ ATOM 149 O THR A 20 -3.604 -4.097 10.477 1.00 0.00 O
150
+ ATOM 150 CG2 THR A 20 -4.230 -4.998 13.983 1.00 0.00 C
151
+ ATOM 151 OG1 THR A 20 -4.957 -7.173 13.247 1.00 0.00 O
152
+ ATOM 152 N ILE A 21 -5.239 -2.939 11.488 1.00 0.00 N
153
+ ATOM 153 CA ILE A 21 -4.763 -1.610 11.123 1.00 0.00 C
154
+ ATOM 154 C ILE A 21 -4.536 -0.779 12.383 1.00 0.00 C
155
+ ATOM 155 CB ILE A 21 -5.755 -0.893 10.179 1.00 0.00 C
156
+ ATOM 156 O ILE A 21 -5.451 -0.600 13.189 1.00 0.00 O
157
+ ATOM 157 CG1 ILE A 21 -5.991 -1.731 8.917 1.00 0.00 C
158
+ ATOM 158 CG2 ILE A 21 -5.243 0.505 9.820 1.00 0.00 C
159
+ ATOM 159 CD1 ILE A 21 -7.362 -1.526 8.286 1.00 0.00 C
160
+ ATOM 160 N LEU A 22 -3.348 -0.301 12.577 1.00 0.00 N
161
+ ATOM 161 CA LEU A 22 -2.963 0.580 13.674 1.00 0.00 C
162
+ ATOM 162 C LEU A 22 -2.595 1.966 13.153 1.00 0.00 C
163
+ ATOM 163 CB LEU A 22 -1.786 -0.014 14.451 1.00 0.00 C
164
+ ATOM 164 O LEU A 22 -1.875 2.090 12.159 1.00 0.00 O
165
+ ATOM 165 CG LEU A 22 -1.998 -1.409 15.041 1.00 0.00 C
166
+ ATOM 166 CD1 LEU A 22 -0.747 -1.869 15.781 1.00 0.00 C
167
+ ATOM 167 CD2 LEU A 22 -3.208 -1.419 15.969 1.00 0.00 C
168
+ ATOM 168 N GLY A 23 -3.079 2.950 13.821 1.00 0.00 N
169
+ ATOM 169 CA GLY A 23 -2.749 4.317 13.452 1.00 0.00 C
170
+ ATOM 170 C GLY A 23 -3.238 5.341 14.459 1.00 0.00 C
171
+ ATOM 171 O GLY A 23 -3.699 4.983 15.544 1.00 0.00 O
172
+ ATOM 172 N THR A 24 -3.093 6.645 14.093 1.00 0.00 N
173
+ ATOM 173 CA THR A 24 -3.619 7.790 14.828 1.00 0.00 C
174
+ ATOM 174 C THR A 24 -4.490 8.658 13.925 1.00 0.00 C
175
+ ATOM 175 CB THR A 24 -2.484 8.642 15.426 1.00 0.00 C
176
+ ATOM 176 O THR A 24 -4.124 8.933 12.780 1.00 0.00 O
177
+ ATOM 177 CG2 THR A 24 -3.038 9.781 16.274 1.00 0.00 C
178
+ ATOM 178 OG1 THR A 24 -1.652 7.810 16.245 1.00 0.00 O
179
+ ATOM 179 N VAL A 25 -5.653 8.995 14.474 1.00 0.00 N
180
+ ATOM 180 CA VAL A 25 -6.484 9.955 13.753 1.00 0.00 C
181
+ ATOM 181 C VAL A 25 -5.820 11.329 13.769 1.00 0.00 C
182
+ ATOM 182 CB VAL A 25 -7.904 10.041 14.358 1.00 0.00 C
183
+ ATOM 183 O VAL A 25 -5.441 11.830 14.831 1.00 0.00 O
184
+ ATOM 184 CG1 VAL A 25 -8.762 11.036 13.579 1.00 0.00 C
185
+ ATOM 185 CG2 VAL A 25 -8.561 8.663 14.375 1.00 0.00 C
186
+ ATOM 186 N LYS A 26 -5.608 11.957 12.549 1.00 0.00 N
187
+ ATOM 187 CA LYS A 26 -5.000 13.285 12.513 1.00 0.00 C
188
+ ATOM 188 C LYS A 26 -5.887 14.314 13.209 1.00 0.00 C
189
+ ATOM 189 CB LYS A 26 -4.732 13.713 11.070 1.00 0.00 C
190
+ ATOM 190 O LYS A 26 -7.113 14.186 13.207 1.00 0.00 O
191
+ ATOM 191 CG LYS A 26 -3.592 12.959 10.402 1.00 0.00 C
192
+ ATOM 192 CD LYS A 26 -3.370 13.432 8.971 1.00 0.00 C
193
+ ATOM 193 CE LYS A 26 -2.218 12.692 8.308 1.00 0.00 C
194
+ ATOM 194 NZ LYS A 26 -2.072 13.067 6.870 1.00 0.00 N
195
+ ATOM 195 N PRO A 27 -5.177 15.369 13.710 1.00 0.00 N
196
+ ATOM 196 CA PRO A 27 -5.997 16.477 14.206 1.00 0.00 C
197
+ ATOM 197 C PRO A 27 -6.908 17.064 13.128 1.00 0.00 C
198
+ ATOM 198 CB PRO A 27 -4.960 17.506 14.664 1.00 0.00 C
199
+ ATOM 199 O PRO A 27 -6.516 17.149 11.962 1.00 0.00 O
200
+ ATOM 200 CG PRO A 27 -3.714 16.715 14.893 1.00 0.00 C
201
+ ATOM 201 CD PRO A 27 -3.667 15.596 13.893 1.00 0.00 C
202
+ ATOM 202 N ASN A 28 -8.129 17.326 13.275 1.00 0.00 N
203
+ ATOM 203 CA ASN A 28 -9.131 17.914 12.393 1.00 0.00 C
204
+ ATOM 204 C ASN A 28 -9.518 16.959 11.268 1.00 0.00 C
205
+ ATOM 205 CB ASN A 28 -8.627 19.238 11.815 1.00 0.00 C
206
+ ATOM 206 O ASN A 28 -9.712 17.382 10.128 1.00 0.00 O
207
+ ATOM 207 CG ASN A 28 -8.297 20.255 12.889 1.00 0.00 C
208
+ ATOM 208 ND2 ASN A 28 -7.238 21.026 12.671 1.00 0.00 N
209
+ ATOM 209 OD1 ASN A 28 -8.988 20.349 13.907 1.00 0.00 O
210
+ ATOM 210 N ALA A 29 -9.346 15.707 11.494 1.00 0.00 N
211
+ ATOM 211 CA ALA A 29 -9.714 14.680 10.522 1.00 0.00 C
212
+ ATOM 212 C ALA A 29 -11.123 14.914 9.983 1.00 0.00 C
213
+ ATOM 213 CB ALA A 29 -9.611 13.292 11.149 1.00 0.00 C
214
+ ATOM 214 O ALA A 29 -12.027 15.284 10.734 1.00 0.00 O
215
+ ATOM 215 N ASN A 30 -11.294 14.675 8.708 1.00 0.00 N
216
+ ATOM 216 CA ASN A 30 -12.613 14.695 8.085 1.00 0.00 C
217
+ ATOM 217 C ASN A 30 -13.111 13.286 7.780 1.00 0.00 C
218
+ ATOM 218 CB ASN A 30 -12.589 15.537 6.807 1.00 0.00 C
219
+ ATOM 219 O ASN A 30 -14.287 12.979 7.993 1.00 0.00 O
220
+ ATOM 220 CG ASN A 30 -13.974 15.784 6.244 1.00 0.00 C
221
+ ATOM 221 ND2 ASN A 30 -14.050 16.028 4.941 1.00 0.00 N
222
+ ATOM 222 OD1 ASN A 30 -14.969 15.755 6.974 1.00 0.00 O
223
+ ATOM 223 N ARG A 31 -12.250 12.473 7.279 1.00 0.00 N
224
+ ATOM 224 CA ARG A 31 -12.689 11.121 6.948 1.00 0.00 C
225
+ ATOM 225 C ARG A 31 -11.508 10.156 6.910 1.00 0.00 C
226
+ ATOM 226 CB ARG A 31 -13.420 11.106 5.604 1.00 0.00 C
227
+ ATOM 227 O ARG A 31 -10.381 10.558 6.618 1.00 0.00 O
228
+ ATOM 228 CG ARG A 31 -12.525 11.400 4.411 1.00 0.00 C
229
+ ATOM 229 CD ARG A 31 -13.300 11.365 3.102 1.00 0.00 C
230
+ ATOM 230 NE ARG A 31 -12.408 11.409 1.946 1.00 0.00 N
231
+ ATOM 231 NH1 ARG A 31 -14.101 11.624 0.388 1.00 0.00 N
232
+ ATOM 232 NH2 ARG A 31 -11.913 11.561 -0.291 1.00 0.00 N
233
+ ATOM 233 CZ ARG A 31 -12.809 11.532 0.684 1.00 0.00 C
234
+ ATOM 234 N ILE A 32 -11.735 8.885 7.125 1.00 0.00 N
235
+ ATOM 235 CA ILE A 32 -10.895 7.716 6.885 1.00 0.00 C
236
+ ATOM 236 C ILE A 32 -11.617 6.744 5.954 1.00 0.00 C
237
+ ATOM 237 CB ILE A 32 -10.516 7.011 8.206 1.00 0.00 C
238
+ ATOM 238 O ILE A 32 -12.846 6.647 5.980 1.00 0.00 O
239
+ ATOM 239 CG1 ILE A 32 -9.823 7.996 9.156 1.00 0.00 C
240
+ ATOM 240 CG2 ILE A 32 -9.626 5.796 7.933 1.00 0.00 C
241
+ ATOM 241 CD1 ILE A 32 -9.723 7.501 10.593 1.00 0.00 C
242
+ ATOM 242 N ALA A 33 -10.836 6.001 5.160 1.00 0.00 N
243
+ ATOM 243 CA ALA A 33 -11.473 4.988 4.323 1.00 0.00 C
244
+ ATOM 244 C ALA A 33 -10.627 3.720 4.255 1.00 0.00 C
245
+ ATOM 245 CB ALA A 33 -11.718 5.536 2.918 1.00 0.00 C
246
+ ATOM 246 O ALA A 33 -9.407 3.788 4.080 1.00 0.00 O
247
+ ATOM 247 N LEU A 34 -11.251 2.614 4.419 1.00 0.00 N
248
+ ATOM 248 CA LEU A 34 -10.762 1.274 4.109 1.00 0.00 C
249
+ ATOM 249 C LEU A 34 -11.550 0.661 2.956 1.00 0.00 C
250
+ ATOM 250 CB LEU A 34 -10.854 0.371 5.343 1.00 0.00 C
251
+ ATOM 251 O LEU A 34 -12.754 0.428 3.077 1.00 0.00 O
252
+ ATOM 252 CG LEU A 34 -10.196 0.897 6.619 1.00 0.00 C
253
+ ATOM 253 CD1 LEU A 34 -10.398 -0.088 7.764 1.00 0.00 C
254
+ ATOM 254 CD2 LEU A 34 -8.710 1.157 6.386 1.00 0.00 C
255
+ ATOM 255 N ASP A 35 -10.889 0.403 1.847 1.00 0.00 N
256
+ ATOM 256 CA ASP A 35 -11.493 -0.201 0.662 1.00 0.00 C
257
+ ATOM 257 C ASP A 35 -10.937 -1.601 0.414 1.00 0.00 C
258
+ ATOM 258 CB ASP A 35 -11.261 0.682 -0.566 1.00 0.00 C
259
+ ATOM 259 O ASP A 35 -9.780 -1.754 0.017 1.00 0.00 O
260
+ ATOM 260 CG ASP A 35 -12.103 1.946 -0.556 1.00 0.00 C
261
+ ATOM 261 OD1 ASP A 35 -13.225 1.927 -0.006 1.00 0.00 O
262
+ ATOM 262 OD2 ASP A 35 -11.641 2.969 -1.105 1.00 0.00 O
263
+ ATOM 263 N PHE A 36 -11.743 -2.637 0.633 1.00 0.00 N
264
+ ATOM 264 CA PHE A 36 -11.451 -3.995 0.190 1.00 0.00 C
265
+ ATOM 265 C PHE A 36 -11.788 -4.169 -1.287 1.00 0.00 C
266
+ ATOM 266 CB PHE A 36 -12.227 -5.015 1.028 1.00 0.00 C
267
+ ATOM 267 O PHE A 36 -12.961 -4.182 -1.663 1.00 0.00 O
268
+ ATOM 268 CG PHE A 36 -11.716 -5.158 2.436 1.00 0.00 C
269
+ ATOM 269 CD1 PHE A 36 -10.972 -6.271 2.810 1.00 0.00 C
270
+ ATOM 270 CD2 PHE A 36 -11.980 -4.181 3.386 1.00 0.00 C
271
+ ATOM 271 CE1 PHE A 36 -10.497 -6.407 4.112 1.00 0.00 C
272
+ ATOM 272 CE2 PHE A 36 -11.510 -4.310 4.690 1.00 0.00 C
273
+ ATOM 273 CZ PHE A 36 -10.769 -5.424 5.052 1.00 0.00 C
274
+ ATOM 274 N GLN A 37 -10.760 -4.350 -2.092 1.00 0.00 N
275
+ ATOM 275 CA GLN A 37 -10.896 -4.136 -3.528 1.00 0.00 C
276
+ ATOM 276 C GLN A 37 -10.786 -5.452 -4.292 1.00 0.00 C
277
+ ATOM 277 CB GLN A 37 -9.839 -3.149 -4.027 1.00 0.00 C
278
+ ATOM 278 O GLN A 37 -9.925 -6.280 -3.992 1.00 0.00 O
279
+ ATOM 279 CG GLN A 37 -9.992 -1.745 -3.459 1.00 0.00 C
280
+ ATOM 280 CD GLN A 37 -8.919 -0.793 -3.952 1.00 0.00 C
281
+ ATOM 281 NE2 GLN A 37 -9.315 0.434 -4.273 1.00 0.00 N
282
+ ATOM 282 OE1 GLN A 37 -7.741 -1.156 -4.041 1.00 0.00 O
283
+ ATOM 283 N ARG A 38 -11.651 -5.648 -5.309 1.00 0.00 N
284
+ ATOM 284 CA ARG A 38 -11.669 -6.648 -6.371 1.00 0.00 C
285
+ ATOM 285 C ARG A 38 -11.587 -5.989 -7.745 1.00 0.00 C
286
+ ATOM 286 CB ARG A 38 -12.930 -7.509 -6.279 1.00 0.00 C
287
+ ATOM 287 O ARG A 38 -12.603 -5.564 -8.297 1.00 0.00 O
288
+ ATOM 288 CG ARG A 38 -13.077 -8.511 -7.412 1.00 0.00 C
289
+ ATOM 289 CD ARG A 38 -14.443 -9.185 -7.397 1.00 0.00 C
290
+ ATOM 290 NE ARG A 38 -14.620 -10.070 -8.545 1.00 0.00 N
291
+ ATOM 291 NH1 ARG A 38 -16.918 -10.209 -8.344 1.00 0.00 N
292
+ ATOM 292 NH2 ARG A 38 -15.838 -11.336 -10.023 1.00 0.00 N
293
+ ATOM 293 CZ ARG A 38 -15.792 -10.536 -8.968 1.00 0.00 C
294
+ ATOM 294 N GLY A 39 -10.361 -5.940 -8.300 1.00 0.00 N
295
+ ATOM 295 CA GLY A 39 -10.162 -5.098 -9.468 1.00 0.00 C
296
+ ATOM 296 C GLY A 39 -10.518 -3.644 -9.225 1.00 0.00 C
297
+ ATOM 297 O GLY A 39 -9.933 -2.994 -8.355 1.00 0.00 O
298
+ ATOM 298 N ASN A 40 -11.528 -3.173 -10.003 1.00 0.00 N
299
+ ATOM 299 CA ASN A 40 -11.987 -1.795 -9.869 1.00 0.00 C
300
+ ATOM 300 C ASN A 40 -13.157 -1.686 -8.895 1.00 0.00 C
301
+ ATOM 301 CB ASN A 40 -12.376 -1.222 -11.233 1.00 0.00 C
302
+ ATOM 302 O ASN A 40 -13.578 -0.582 -8.545 1.00 0.00 O
303
+ ATOM 303 CG ASN A 40 -11.183 -1.028 -12.147 1.00 0.00 C
304
+ ATOM 304 ND2 ASN A 40 -11.429 -1.029 -13.452 1.00 0.00 N
305
+ ATOM 305 OD1 ASN A 40 -10.049 -0.879 -11.685 1.00 0.00 O
306
+ ATOM 306 N ASP A 41 -13.647 -2.777 -8.508 1.00 0.00 N
307
+ ATOM 307 CA ASP A 41 -14.772 -2.838 -7.579 1.00 0.00 C
308
+ ATOM 308 C ASP A 41 -14.295 -2.745 -6.132 1.00 0.00 C
309
+ ATOM 309 CB ASP A 41 -15.571 -4.125 -7.788 1.00 0.00 C
310
+ ATOM 310 O ASP A 41 -13.134 -3.035 -5.836 1.00 0.00 O
311
+ ATOM 311 CG ASP A 41 -16.367 -4.126 -9.082 1.00 0.00 C
312
+ ATOM 312 OD1 ASP A 41 -16.598 -3.040 -9.656 1.00 0.00 O
313
+ ATOM 313 OD2 ASP A 41 -16.767 -5.222 -9.530 1.00 0.00 O
314
+ ATOM 314 N VAL A 42 -15.181 -2.290 -5.265 1.00 0.00 N
315
+ ATOM 315 CA VAL A 42 -14.994 -2.273 -3.818 1.00 0.00 C
316
+ ATOM 316 C VAL A 42 -15.992 -3.219 -3.156 1.00 0.00 C
317
+ ATOM 317 CB VAL A 42 -15.149 -0.847 -3.243 1.00 0.00 C
318
+ ATOM 318 O VAL A 42 -17.191 -2.934 -3.110 1.00 0.00 O
319
+ ATOM 319 CG1 VAL A 42 -14.939 -0.849 -1.731 1.00 0.00 C
320
+ ATOM 320 CG2 VAL A 42 -14.170 0.111 -3.921 1.00 0.00 C
321
+ ATOM 321 N ALA A 43 -15.490 -4.320 -2.591 1.00 0.00 N
322
+ ATOM 322 CA ALA A 43 -16.324 -5.342 -1.963 1.00 0.00 C
323
+ ATOM 323 C ALA A 43 -16.865 -4.858 -0.620 1.00 0.00 C
324
+ ATOM 324 CB ALA A 43 -15.533 -6.634 -1.779 1.00 0.00 C
325
+ ATOM 325 O ALA A 43 -18.010 -5.149 -0.265 1.00 0.00 O
326
+ ATOM 326 N PHE A 44 -16.091 -4.120 0.076 1.00 0.00 N
327
+ ATOM 327 CA PHE A 44 -16.443 -3.527 1.361 1.00 0.00 C
328
+ ATOM 328 C PHE A 44 -15.734 -2.193 1.555 1.00 0.00 C
329
+ ATOM 329 CB PHE A 44 -16.092 -4.480 2.507 1.00 0.00 C
330
+ ATOM 330 O PHE A 44 -14.503 -2.141 1.612 1.00 0.00 O
331
+ ATOM 331 CG PHE A 44 -16.311 -3.891 3.876 1.00 0.00 C
332
+ ATOM 332 CD1 PHE A 44 -15.421 -4.152 4.911 1.00 0.00 C
333
+ ATOM 333 CD2 PHE A 44 -17.407 -3.076 4.125 1.00 0.00 C
334
+ ATOM 334 CE1 PHE A 44 -15.622 -3.608 6.178 1.00 0.00 C
335
+ ATOM 335 CE2 PHE A 44 -17.614 -2.529 5.389 1.00 0.00 C
336
+ ATOM 336 CZ PHE A 44 -16.720 -2.796 6.414 1.00 0.00 C
337
+ ATOM 337 N HIS A 45 -16.516 -1.130 1.614 1.00 0.00 N
338
+ ATOM 338 CA HIS A 45 -16.119 0.233 1.952 1.00 0.00 C
339
+ ATOM 339 C HIS A 45 -16.465 0.565 3.399 1.00 0.00 C
340
+ ATOM 340 CB HIS A 45 -16.788 1.235 1.009 1.00 0.00 C
341
+ ATOM 341 O HIS A 45 -17.638 0.559 3.779 1.00 0.00 O
342
+ ATOM 342 CG HIS A 45 -16.407 2.655 1.275 1.00 0.00 C
343
+ ATOM 343 CD2 HIS A 45 -17.111 3.680 1.811 1.00 0.00 C
344
+ ATOM 344 ND1 HIS A 45 -15.159 3.159 0.976 1.00 0.00 N
345
+ ATOM 345 CE1 HIS A 45 -15.113 4.437 1.319 1.00 0.00 C
346
+ ATOM 346 NE2 HIS A 45 -16.285 4.777 1.827 1.00 0.00 N
347
+ ATOM 347 N PHE A 46 -15.495 0.782 4.215 1.00 0.00 N
348
+ ATOM 348 CA PHE A 46 -15.636 1.235 5.594 1.00 0.00 C
349
+ ATOM 349 C PHE A 46 -15.125 2.662 5.749 1.00 0.00 C
350
+ ATOM 350 CB PHE A 46 -14.884 0.301 6.548 1.00 0.00 C
351
+ ATOM 351 O PHE A 46 -13.929 2.920 5.597 1.00 0.00 O
352
+ ATOM 352 CG PHE A 46 -14.958 0.720 7.991 1.00 0.00 C
353
+ ATOM 353 CD1 PHE A 46 -13.905 1.403 8.587 1.00 0.00 C
354
+ ATOM 354 CD2 PHE A 46 -16.082 0.432 8.754 1.00 0.00 C
355
+ ATOM 355 CE1 PHE A 46 -13.970 1.792 9.922 1.00 0.00 C
356
+ ATOM 356 CE2 PHE A 46 -16.156 0.818 10.089 1.00 0.00 C
357
+ ATOM 357 CZ PHE A 46 -15.098 1.497 10.672 1.00 0.00 C
358
+ ATOM 358 N ASN A 47 -16.042 3.567 6.088 1.00 0.00 N
359
+ ATOM 359 CA ASN A 47 -15.741 4.986 5.922 1.00 0.00 C
360
+ ATOM 360 C ASN A 47 -16.263 5.811 7.095 1.00 0.00 C
361
+ ATOM 361 CB ASN A 47 -16.322 5.507 4.606 1.00 0.00 C
362
+ ATOM 362 O ASN A 47 -17.345 6.393 7.017 1.00 0.00 O
363
+ ATOM 363 CG ASN A 47 -15.930 6.944 4.323 1.00 0.00 C
364
+ ATOM 364 ND2 ASN A 47 -14.705 7.307 4.686 1.00 0.00 N
365
+ ATOM 365 OD1 ASN A 47 -16.722 7.722 3.784 1.00 0.00 O
366
+ ATOM 366 N PRO A 48 -15.486 5.907 8.225 1.00 0.00 N
367
+ ATOM 367 CA PRO A 48 -15.747 6.895 9.276 1.00 0.00 C
368
+ ATOM 368 C PRO A 48 -15.639 8.333 8.773 1.00 0.00 C
369
+ ATOM 369 CB PRO A 48 -14.665 6.597 10.316 1.00 0.00 C
370
+ ATOM 370 O PRO A 48 -14.628 8.706 8.173 1.00 0.00 O
371
+ ATOM 371 CG PRO A 48 -14.262 5.182 10.053 1.00 0.00 C
372
+ ATOM 372 CD PRO A 48 -14.333 4.932 8.574 1.00 0.00 C
373
+ ATOM 373 N ARG A 49 -16.659 9.130 8.946 1.00 0.00 N
374
+ ATOM 374 CA ARG A 49 -16.749 10.551 8.625 1.00 0.00 C
375
+ ATOM 375 C ARG A 49 -16.882 11.390 9.892 1.00 0.00 C
376
+ ATOM 376 CB ARG A 49 -17.932 10.819 7.692 1.00 0.00 C
377
+ ATOM 377 O ARG A 49 -17.844 11.235 10.648 1.00 0.00 O
378
+ ATOM 378 CG ARG A 49 -17.890 10.019 6.401 1.00 0.00 C
379
+ ATOM 379 CD ARG A 49 -19.143 10.235 5.563 1.00 0.00 C
380
+ ATOM 380 NE ARG A 49 -19.112 9.448 4.334 1.00 0.00 N
381
+ ATOM 381 NH1 ARG A 49 -21.277 9.957 3.708 1.00 0.00 N
382
+ ATOM 382 NH2 ARG A 49 -19.989 8.591 2.392 1.00 0.00 N
383
+ ATOM 383 CZ ARG A 49 -20.126 9.333 3.481 1.00 0.00 C
384
+ ATOM 384 N PHE A 50 -15.996 12.238 10.096 1.00 0.00 N
385
+ ATOM 385 CA PHE A 50 -15.884 12.980 11.347 1.00 0.00 C
386
+ ATOM 386 C PHE A 50 -16.789 14.206 11.332 1.00 0.00 C
387
+ ATOM 387 CB PHE A 50 -14.432 13.401 11.595 1.00 0.00 C
388
+ ATOM 388 O PHE A 50 -17.108 14.761 12.386 1.00 0.00 O
389
+ ATOM 389 CG PHE A 50 -13.525 12.261 11.973 1.00 0.00 C
390
+ ATOM 390 CD1 PHE A 50 -13.174 12.044 13.300 1.00 0.00 C
391
+ ATOM 391 CD2 PHE A 50 -13.023 11.407 11.000 1.00 0.00 C
392
+ ATOM 392 CE1 PHE A 50 -12.335 10.990 13.652 1.00 0.00 C
393
+ ATOM 393 CE2 PHE A 50 -12.183 10.351 11.344 1.00 0.00 C
394
+ ATOM 394 CZ PHE A 50 -11.840 10.145 12.671 1.00 0.00 C
395
+ ATOM 395 N ASN A 51 -17.129 14.599 10.130 1.00 0.00 N
396
+ ATOM 396 CA ASN A 51 -18.057 15.708 9.940 1.00 0.00 C
397
+ ATOM 397 C ASN A 51 -18.855 15.556 8.648 1.00 0.00 C
398
+ ATOM 398 CB ASN A 51 -17.308 17.043 9.948 1.00 0.00 C
399
+ ATOM 399 O ASN A 51 -18.408 15.986 7.583 1.00 0.00 O
400
+ ATOM 400 CG ASN A 51 -18.242 18.236 9.961 1.00 0.00 C
401
+ ATOM 401 ND2 ASN A 51 -17.686 19.427 9.764 1.00 0.00 N
402
+ ATOM 402 OD1 ASN A 51 -19.453 18.091 10.147 1.00 0.00 O
403
+ ATOM 403 N GLU A 52 -19.975 14.886 8.683 1.00 0.00 N
404
+ ATOM 404 CA GLU A 52 -20.998 14.858 7.643 1.00 0.00 C
405
+ ATOM 405 C GLU A 52 -22.260 15.589 8.091 1.00 0.00 C
406
+ ATOM 406 CB GLU A 52 -21.336 13.415 7.259 1.00 0.00 C
407
+ ATOM 407 O GLU A 52 -23.045 15.059 8.880 1.00 0.00 O
408
+ ATOM 408 CG GLU A 52 -22.296 13.299 6.084 1.00 0.00 C
409
+ ATOM 409 CD GLU A 52 -22.602 11.861 5.698 1.00 0.00 C
410
+ ATOM 410 OE1 GLU A 52 -23.531 11.259 6.283 1.00 0.00 O
411
+ ATOM 411 OE2 GLU A 52 -21.905 11.330 4.803 1.00 0.00 O
412
+ ATOM 412 N ASN A 53 -22.449 16.767 7.616 1.00 0.00 N
413
+ ATOM 413 CA ASN A 53 -23.543 17.634 8.040 1.00 0.00 C
414
+ ATOM 414 C ASN A 53 -23.562 17.810 9.556 1.00 0.00 C
415
+ ATOM 415 CB ASN A 53 -24.885 17.085 7.552 1.00 0.00 C
416
+ ATOM 416 O ASN A 53 -24.594 17.599 10.196 1.00 0.00 O
417
+ ATOM 417 CG ASN A 53 -24.935 16.921 6.045 1.00 0.00 C
418
+ ATOM 418 ND2 ASN A 53 -25.658 15.907 5.583 1.00 0.00 N
419
+ ATOM 419 OD1 ASN A 53 -24.330 17.699 5.304 1.00 0.00 O
420
+ ATOM 420 N ASN A 54 -22.419 18.059 10.141 1.00 0.00 N
421
+ ATOM 421 CA ASN A 54 -22.166 18.295 11.558 1.00 0.00 C
422
+ ATOM 422 C ASN A 54 -22.412 17.039 12.388 1.00 0.00 C
423
+ ATOM 423 CB ASN A 54 -23.030 19.449 12.073 1.00 0.00 C
424
+ ATOM 424 O ASN A 54 -22.705 17.125 13.582 1.00 0.00 O
425
+ ATOM 425 CG ASN A 54 -22.680 20.774 11.425 1.00 0.00 C
426
+ ATOM 426 ND2 ASN A 54 -23.695 21.578 11.134 1.00 0.00 N
427
+ ATOM 427 OD1 ASN A 54 -21.507 21.073 11.188 1.00 0.00 O
428
+ ATOM 428 N ARG A 55 -22.356 15.867 11.813 1.00 0.00 N
429
+ ATOM 429 CA ARG A 55 -22.525 14.588 12.494 1.00 0.00 C
430
+ ATOM 430 C ARG A 55 -21.348 13.659 12.216 1.00 0.00 C
431
+ ATOM 431 CB ARG A 55 -23.833 13.919 12.066 1.00 0.00 C
432
+ ATOM 432 O ARG A 55 -20.782 13.676 11.121 1.00 0.00 O
433
+ ATOM 433 CG ARG A 55 -25.079 14.700 12.452 1.00 0.00 C
434
+ ATOM 434 CD ARG A 55 -26.349 13.999 11.989 1.00 0.00 C
435
+ ATOM 435 NE ARG A 55 -27.547 14.715 12.420 1.00 0.00 N
436
+ ATOM 436 NH1 ARG A 55 -29.029 13.272 11.392 1.00 0.00 N
437
+ ATOM 437 NH2 ARG A 55 -29.810 15.077 12.571 1.00 0.00 N
438
+ ATOM 438 CZ ARG A 55 -28.793 14.353 12.127 1.00 0.00 C
439
+ ATOM 439 N ARG A 56 -21.029 12.896 13.191 1.00 0.00 N
440
+ ATOM 440 CA ARG A 56 -20.104 11.778 13.033 1.00 0.00 C
441
+ ATOM 441 C ARG A 56 -20.849 10.498 12.670 1.00 0.00 C
442
+ ATOM 442 CB ARG A 56 -19.293 11.567 14.313 1.00 0.00 C
443
+ ATOM 443 O ARG A 56 -21.829 10.138 13.324 1.00 0.00 O
444
+ ATOM 444 CG ARG A 56 -18.444 12.765 14.710 1.00 0.00 C
445
+ ATOM 445 CD ARG A 56 -17.719 12.531 16.028 1.00 0.00 C
446
+ ATOM 446 NE ARG A 56 -17.060 13.745 16.503 1.00 0.00 N
447
+ ATOM 447 NH1 ARG A 56 -16.311 12.813 18.479 1.00 0.00 N
448
+ ATOM 448 NH2 ARG A 56 -15.843 15.002 17.990 1.00 0.00 N
449
+ ATOM 449 CZ ARG A 56 -16.406 13.851 17.657 1.00 0.00 C
450
+ ATOM 450 N VAL A 57 -20.412 9.863 11.643 1.00 0.00 N
451
+ ATOM 451 CA VAL A 57 -21.115 8.678 11.161 1.00 0.00 C
452
+ ATOM 452 C VAL A 57 -20.126 7.725 10.496 1.00 0.00 C
453
+ ATOM 453 CB VAL A 57 -22.241 9.052 10.171 1.00 0.00 C
454
+ ATOM 454 O VAL A 57 -19.115 8.159 9.938 1.00 0.00 O
455
+ ATOM 455 CG1 VAL A 57 -21.671 9.760 8.945 1.00 0.00 C
456
+ ATOM 456 CG2 VAL A 57 -23.022 7.805 9.757 1.00 0.00 C
457
+ ATOM 457 N ILE A 58 -20.361 6.452 10.598 1.00 0.00 N
458
+ ATOM 458 CA ILE A 58 -19.647 5.462 9.797 1.00 0.00 C
459
+ ATOM 459 C ILE A 58 -20.539 4.982 8.655 1.00 0.00 C
460
+ ATOM 460 CB ILE A 58 -19.189 4.264 10.659 1.00 0.00 C
461
+ ATOM 461 O ILE A 58 -21.677 4.562 8.881 1.00 0.00 O
462
+ ATOM 462 CG1 ILE A 58 -18.286 4.743 11.802 1.00 0.00 C
463
+ ATOM 463 CG2 ILE A 58 -18.474 3.221 9.796 1.00 0.00 C
464
+ ATOM 464 CD1 ILE A 58 -17.839 3.633 12.744 1.00 0.00 C
465
+ ATOM 465 N VAL A 59 -20.055 5.096 7.470 1.00 0.00 N
466
+ ATOM 466 CA VAL A 59 -20.763 4.650 6.273 1.00 0.00 C
467
+ ATOM 467 C VAL A 59 -20.091 3.399 5.713 1.00 0.00 C
468
+ ATOM 468 CB VAL A 59 -20.811 5.758 5.197 1.00 0.00 C
469
+ ATOM 469 O VAL A 59 -18.891 3.406 5.427 1.00 0.00 O
470
+ ATOM 470 CG1 VAL A 59 -21.471 5.242 3.920 1.00 0.00 C
471
+ ATOM 471 CG2 VAL A 59 -21.551 6.984 5.727 1.00 0.00 C
472
+ ATOM 472 N CYS A 60 -20.872 2.300 5.532 1.00 0.00 N
473
+ ATOM 473 CA CYS A 60 -20.448 1.090 4.836 1.00 0.00 C
474
+ ATOM 474 C CYS A 60 -21.184 0.938 3.510 1.00 0.00 C
475
+ ATOM 475 CB CYS A 60 -20.689 -0.142 5.708 1.00 0.00 C
476
+ ATOM 476 O CYS A 60 -22.368 1.267 3.410 1.00 0.00 O
477
+ ATOM 477 SG CYS A 60 -19.799 -0.106 7.279 1.00 0.00 S
478
+ ATOM 478 N ASN A 61 -20.496 0.490 2.496 1.00 0.00 N
479
+ ATOM 479 CA ASN A 61 -21.119 0.303 1.190 1.00 0.00 C
480
+ ATOM 480 C ASN A 61 -20.323 -0.669 0.324 1.00 0.00 C
481
+ ATOM 481 CB ASN A 61 -21.276 1.646 0.472 1.00 0.00 C
482
+ ATOM 482 O ASN A 61 -19.252 -1.129 0.723 1.00 0.00 O
483
+ ATOM 483 CG ASN A 61 -22.458 1.667 -0.476 1.00 0.00 C
484
+ ATOM 484 ND2 ASN A 61 -22.866 2.860 -0.890 1.00 0.00 N
485
+ ATOM 485 OD1 ASN A 61 -23.002 0.618 -0.833 1.00 0.00 O
486
+ ATOM 486 N THR A 62 -20.887 -1.070 -0.747 1.00 0.00 N
487
+ ATOM 487 CA THR A 62 -20.254 -1.840 -1.812 1.00 0.00 C
488
+ ATOM 488 C THR A 62 -20.357 -1.106 -3.146 1.00 0.00 C
489
+ ATOM 489 CB THR A 62 -20.889 -3.237 -1.943 1.00 0.00 C
490
+ ATOM 490 O THR A 62 -21.406 -0.545 -3.472 1.00 0.00 O
491
+ ATOM 491 CG2 THR A 62 -20.259 -4.022 -3.089 1.00 0.00 C
492
+ ATOM 492 OG1 THR A 62 -20.695 -3.960 -0.721 1.00 0.00 O
493
+ ATOM 493 N LYS A 63 -19.249 -1.052 -3.900 1.00 0.00 N
494
+ ATOM 494 CA LYS A 63 -19.238 -0.548 -5.271 1.00 0.00 C
495
+ ATOM 495 C LYS A 63 -19.058 -1.685 -6.273 1.00 0.00 C
496
+ ATOM 496 CB LYS A 63 -18.131 0.491 -5.453 1.00 0.00 C
497
+ ATOM 497 O LYS A 63 -18.029 -2.364 -6.270 1.00 0.00 O
498
+ ATOM 498 CG LYS A 63 -18.167 1.207 -6.795 1.00 0.00 C
499
+ ATOM 499 CD LYS A 63 -16.953 2.106 -6.982 1.00 0.00 C
500
+ ATOM 500 CE LYS A 63 -16.985 2.819 -8.327 1.00 0.00 C
501
+ ATOM 501 NZ LYS A 63 -15.728 3.585 -8.580 1.00 0.00 N
502
+ ATOM 502 N LEU A 64 -20.038 -1.894 -7.141 1.00 0.00 N
503
+ ATOM 503 CA LEU A 64 -19.997 -2.870 -8.225 1.00 0.00 C
504
+ ATOM 504 C LEU A 64 -20.290 -2.206 -9.566 1.00 0.00 C
505
+ ATOM 505 CB LEU A 64 -21.002 -3.997 -7.969 1.00 0.00 C
506
+ ATOM 506 O LEU A 64 -21.203 -1.383 -9.669 1.00 0.00 O
507
+ ATOM 507 CG LEU A 64 -20.792 -4.817 -6.694 1.00 0.00 C
508
+ ATOM 508 CD1 LEU A 64 -21.919 -5.829 -6.524 1.00 0.00 C
509
+ ATOM 509 CD2 LEU A 64 -19.437 -5.516 -6.726 1.00 0.00 C
510
+ ATOM 510 N ASP A 65 -19.491 -2.520 -10.559 1.00 0.00 N
511
+ ATOM 511 CA ASP A 65 -19.634 -2.004 -11.917 1.00 0.00 C
512
+ ATOM 512 C ASP A 65 -19.721 -0.480 -11.919 1.00 0.00 C
513
+ ATOM 513 CB ASP A 65 -20.871 -2.601 -12.591 1.00 0.00 C
514
+ ATOM 514 O ASP A 65 -20.630 0.095 -12.522 1.00 0.00 O
515
+ ATOM 515 CG ASP A 65 -20.781 -4.108 -12.766 1.00 0.00 C
516
+ ATOM 516 OD1 ASP A 65 -19.686 -4.622 -13.078 1.00 0.00 O
517
+ ATOM 517 OD2 ASP A 65 -21.818 -4.787 -12.592 1.00 0.00 O
518
+ ATOM 518 N ASN A 66 -18.906 0.075 -11.083 1.00 0.00 N
519
+ ATOM 519 CA ASN A 66 -18.714 1.510 -10.902 1.00 0.00 C
520
+ ATOM 520 C ASN A 66 -19.916 2.153 -10.216 1.00 0.00 C
521
+ ATOM 521 CB ASN A 66 -18.443 2.190 -12.246 1.00 0.00 C
522
+ ATOM 522 O ASN A 66 -19.952 3.371 -10.031 1.00 0.00 O
523
+ ATOM 523 CG ASN A 66 -17.019 1.987 -12.725 1.00 0.00 C
524
+ ATOM 524 ND2 ASN A 66 -16.860 1.712 -14.014 1.00 0.00 N
525
+ ATOM 525 OD1 ASN A 66 -16.069 2.076 -11.943 1.00 0.00 O
526
+ ATOM 526 N ASN A 67 -20.865 1.357 -9.720 1.00 0.00 N
527
+ ATOM 527 CA ASN A 67 -22.038 1.859 -9.011 1.00 0.00 C
528
+ ATOM 528 C ASN A 67 -21.978 1.528 -7.522 1.00 0.00 C
529
+ ATOM 529 CB ASN A 67 -23.320 1.298 -9.629 1.00 0.00 C
530
+ ATOM 530 O ASN A 67 -21.781 0.370 -7.148 1.00 0.00 O
531
+ ATOM 531 CG ASN A 67 -23.560 1.807 -11.037 1.00 0.00 C
532
+ ATOM 532 ND2 ASN A 67 -23.452 0.916 -12.016 1.00 0.00 N
533
+ ATOM 533 OD1 ASN A 67 -23.840 2.990 -11.243 1.00 0.00 O
534
+ ATOM 534 N TRP A 68 -22.156 2.621 -6.729 1.00 0.00 N
535
+ ATOM 535 CA TRP A 68 -22.322 2.414 -5.294 1.00 0.00 C
536
+ ATOM 536 C TRP A 68 -23.718 1.887 -4.977 1.00 0.00 C
537
+ ATOM 537 CB TRP A 68 -22.069 3.716 -4.530 1.00 0.00 C
538
+ ATOM 538 O TRP A 68 -24.715 2.416 -5.473 1.00 0.00 O
539
+ ATOM 539 CG TRP A 68 -20.630 4.135 -4.500 1.00 0.00 C
540
+ ATOM 540 CD1 TRP A 68 -20.032 5.088 -5.277 1.00 0.00 C
541
+ ATOM 541 CD2 TRP A 68 -19.605 3.610 -3.651 1.00 0.00 C
542
+ ATOM 542 CE2 TRP A 68 -18.410 4.291 -3.967 1.00 0.00 C
543
+ ATOM 543 CE3 TRP A 68 -19.582 2.629 -2.650 1.00 0.00 C
544
+ ATOM 544 NE1 TRP A 68 -18.696 5.187 -4.962 1.00 0.00 N
545
+ ATOM 545 CH2 TRP A 68 -17.207 3.058 -2.344 1.00 0.00 C
546
+ ATOM 546 CZ2 TRP A 68 -17.202 4.023 -3.318 1.00 0.00 C
547
+ ATOM 547 CZ3 TRP A 68 -18.380 2.362 -2.006 1.00 0.00 C
548
+ ATOM 548 N GLY A 69 -23.714 0.820 -4.148 1.00 0.00 N
549
+ ATOM 549 CA GLY A 69 -24.983 0.345 -3.617 1.00 0.00 C
550
+ ATOM 550 C GLY A 69 -25.570 1.263 -2.562 1.00 0.00 C
551
+ ATOM 551 O GLY A 69 -25.138 2.409 -2.420 1.00 0.00 O
552
+ ATOM 552 N ARG A 70 -26.638 0.761 -1.848 1.00 0.00 N
553
+ ATOM 553 CA ARG A 70 -27.229 1.484 -0.728 1.00 0.00 C
554
+ ATOM 554 C ARG A 70 -26.254 1.576 0.441 1.00 0.00 C
555
+ ATOM 555 CB ARG A 70 -28.526 0.810 -0.277 1.00 0.00 C
556
+ ATOM 556 O ARG A 70 -25.663 0.572 0.844 1.00 0.00 O
557
+ ATOM 557 CG ARG A 70 -29.250 1.550 0.838 1.00 0.00 C
558
+ ATOM 558 CD ARG A 70 -30.570 0.882 1.194 1.00 0.00 C
559
+ ATOM 559 NE ARG A 70 -31.211 1.528 2.335 1.00 0.00 N
560
+ ATOM 560 NH1 ARG A 70 -32.979 0.045 2.446 1.00 0.00 N
561
+ ATOM 561 NH2 ARG A 70 -32.837 1.780 3.938 1.00 0.00 N
562
+ ATOM 562 CZ ARG A 70 -32.342 1.116 2.903 1.00 0.00 C
563
+ ATOM 563 N GLU A 71 -26.124 2.705 1.055 1.00 0.00 N
564
+ ATOM 564 CA GLU A 71 -25.289 2.912 2.235 1.00 0.00 C
565
+ ATOM 565 C GLU A 71 -25.908 2.263 3.470 1.00 0.00 C
566
+ ATOM 566 CB GLU A 71 -25.068 4.407 2.482 1.00 0.00 C
567
+ ATOM 567 O GLU A 71 -27.106 2.407 3.718 1.00 0.00 O
568
+ ATOM 568 CG GLU A 71 -24.226 5.087 1.412 1.00 0.00 C
569
+ ATOM 569 CD GLU A 71 -23.882 6.530 1.748 1.00 0.00 C
570
+ ATOM 570 OE1 GLU A 71 -22.998 7.115 1.080 1.00 0.00 O
571
+ ATOM 571 OE2 GLU A 71 -24.500 7.080 2.687 1.00 0.00 O
572
+ ATOM 572 N GLU A 72 -25.143 1.585 4.224 1.00 0.00 N
573
+ ATOM 573 CA GLU A 72 -25.425 1.233 5.612 1.00 0.00 C
574
+ ATOM 574 C GLU A 72 -24.729 2.190 6.576 1.00 0.00 C
575
+ ATOM 575 CB GLU A 72 -24.997 -0.208 5.900 1.00 0.00 C
576
+ ATOM 576 O GLU A 72 -23.547 2.495 6.410 1.00 0.00 O
577
+ ATOM 577 CG GLU A 72 -25.778 -1.250 5.114 1.00 0.00 C
578
+ ATOM 578 CD GLU A 72 -25.307 -2.672 5.369 1.00 0.00 C
579
+ ATOM 579 OE1 GLU A 72 -25.299 -3.490 4.421 1.00 0.00 O
580
+ ATOM 580 OE2 GLU A 72 -24.943 -2.972 6.528 1.00 0.00 O
581
+ ATOM 581 N ARG A 73 -25.357 2.758 7.528 1.00 0.00 N
582
+ ATOM 582 CA ARG A 73 -24.866 3.837 8.379 1.00 0.00 C
583
+ ATOM 583 C ARG A 73 -24.938 3.449 9.852 1.00 0.00 C
584
+ ATOM 584 CB ARG A 73 -25.661 5.121 8.135 1.00 0.00 C
585
+ ATOM 585 O ARG A 73 -25.979 2.988 10.326 1.00 0.00 O
586
+ ATOM 586 CG ARG A 73 -25.490 5.696 6.738 1.00 0.00 C
587
+ ATOM 587 CD ARG A 73 -26.291 6.978 6.553 1.00 0.00 C
588
+ ATOM 588 NE ARG A 73 -25.931 7.664 5.316 1.00 0.00 N
589
+ ATOM 589 NH1 ARG A 73 -25.238 9.609 6.352 1.00 0.00 N
590
+ ATOM 590 NH2 ARG A 73 -25.147 9.427 4.069 1.00 0.00 N
591
+ ATOM 591 CZ ARG A 73 -25.439 8.899 5.249 1.00 0.00 C
592
+ ATOM 592 N GLN A 74 -23.875 3.633 10.481 1.00 0.00 N
593
+ ATOM 593 CA GLN A 74 -23.752 3.390 11.914 1.00 0.00 C
594
+ ATOM 594 C GLN A 74 -23.531 4.694 12.675 1.00 0.00 C
595
+ ATOM 595 CB GLN A 74 -22.607 2.416 12.198 1.00 0.00 C
596
+ ATOM 596 O GLN A 74 -22.679 5.501 12.299 1.00 0.00 O
597
+ ATOM 597 CG GLN A 74 -23.012 1.225 13.055 1.00 0.00 C
598
+ ATOM 598 CD GLN A 74 -24.490 0.897 12.945 1.00 0.00 C
599
+ ATOM 599 NE2 GLN A 74 -24.948 -0.054 13.751 1.00 0.00 N
600
+ ATOM 600 OE1 GLN A 74 -25.213 1.495 12.142 1.00 0.00 O
601
+ ATOM 601 N SER A 75 -24.237 4.853 13.854 1.00 0.00 N
602
+ ATOM 602 CA SER A 75 -24.157 6.078 14.643 1.00 0.00 C
603
+ ATOM 603 C SER A 75 -23.104 5.961 15.740 1.00 0.00 C
604
+ ATOM 604 CB SER A 75 -25.517 6.405 15.262 1.00 0.00 C
605
+ ATOM 605 O SER A 75 -22.588 6.972 16.222 1.00 0.00 O
606
+ ATOM 606 OG SER A 75 -26.007 5.305 16.010 1.00 0.00 O
607
+ ATOM 607 N VAL A 76 -22.884 4.727 16.161 1.00 0.00 N
608
+ ATOM 608 CA VAL A 76 -21.771 4.520 17.081 1.00 0.00 C
609
+ ATOM 609 C VAL A 76 -20.456 4.870 16.387 1.00 0.00 C
610
+ ATOM 610 CB VAL A 76 -21.728 3.066 17.601 1.00 0.00 C
611
+ ATOM 611 O VAL A 76 -20.122 4.294 15.350 1.00 0.00 O
612
+ ATOM 612 CG1 VAL A 76 -20.572 2.877 18.583 1.00 0.00 C
613
+ ATOM 613 CG2 VAL A 76 -23.056 2.695 18.258 1.00 0.00 C
614
+ ATOM 614 N PHE A 77 -19.668 5.796 16.949 1.00 0.00 N
615
+ ATOM 615 CA PHE A 77 -18.480 6.370 16.329 1.00 0.00 C
616
+ ATOM 616 C PHE A 77 -17.290 6.310 17.279 1.00 0.00 C
617
+ ATOM 617 CB PHE A 77 -18.740 7.819 15.905 1.00 0.00 C
618
+ ATOM 618 O PHE A 77 -17.072 7.230 18.068 1.00 0.00 O
619
+ ATOM 619 CG PHE A 77 -17.727 8.359 14.933 1.00 0.00 C
620
+ ATOM 620 CD1 PHE A 77 -16.603 9.040 15.386 1.00 0.00 C
621
+ ATOM 621 CD2 PHE A 77 -17.897 8.185 13.565 1.00 0.00 C
622
+ ATOM 622 CE1 PHE A 77 -15.663 9.541 14.488 1.00 0.00 C
623
+ ATOM 623 CE2 PHE A 77 -16.962 8.683 12.662 1.00 0.00 C
624
+ ATOM 624 CZ PHE A 77 -15.846 9.361 13.126 1.00 0.00 C
625
+ ATOM 625 N PRO A 78 -16.451 5.354 17.225 1.00 0.00 N
626
+ ATOM 626 CA PRO A 78 -15.458 5.067 18.264 1.00 0.00 C
627
+ ATOM 627 C PRO A 78 -14.143 5.811 18.043 1.00 0.00 C
628
+ ATOM 628 CB PRO A 78 -15.255 3.554 18.149 1.00 0.00 C
629
+ ATOM 629 O PRO A 78 -13.210 5.673 18.838 1.00 0.00 O
630
+ ATOM 630 CG PRO A 78 -15.463 3.250 16.700 1.00 0.00 C
631
+ ATOM 631 CD PRO A 78 -16.561 4.133 16.180 1.00 0.00 C
632
+ ATOM 632 N PHE A 79 -13.990 6.702 16.993 1.00 0.00 N
633
+ ATOM 633 CA PHE A 79 -12.752 7.393 16.650 1.00 0.00 C
634
+ ATOM 634 C PHE A 79 -12.717 8.781 17.278 1.00 0.00 C
635
+ ATOM 635 CB PHE A 79 -12.599 7.501 15.129 1.00 0.00 C
636
+ ATOM 636 O PHE A 79 -13.736 9.474 17.326 1.00 0.00 O
637
+ ATOM 637 CG PHE A 79 -12.598 6.171 14.424 1.00 0.00 C
638
+ ATOM 638 CD1 PHE A 79 -11.442 5.404 14.359 1.00 0.00 C
639
+ ATOM 639 CD2 PHE A 79 -13.755 5.688 13.826 1.00 0.00 C
640
+ ATOM 640 CE1 PHE A 79 -11.438 4.173 13.707 1.00 0.00 C
641
+ ATOM 641 CE2 PHE A 79 -13.759 4.459 13.172 1.00 0.00 C
642
+ ATOM 642 CZ PHE A 79 -12.599 3.704 13.113 1.00 0.00 C
643
+ ATOM 643 N GLU A 80 -11.603 9.154 17.725 1.00 0.00 N
644
+ ATOM 644 CA GLU A 80 -11.375 10.483 18.283 1.00 0.00 C
645
+ ATOM 645 C GLU A 80 -10.163 11.153 17.638 1.00 0.00 C
646
+ ATOM 646 CB GLU A 80 -11.185 10.404 19.800 1.00 0.00 C
647
+ ATOM 647 O GLU A 80 -9.096 10.545 17.530 1.00 0.00 O
648
+ ATOM 648 CG GLU A 80 -12.453 10.045 20.560 1.00 0.00 C
649
+ ATOM 649 CD GLU A 80 -12.248 9.955 22.064 1.00 0.00 C
650
+ ATOM 650 OE1 GLU A 80 -12.513 8.881 22.649 1.00 0.00 O
651
+ ATOM 651 OE2 GLU A 80 -11.818 10.967 22.661 1.00 0.00 O
652
+ ATOM 652 N SER A 81 -10.294 12.371 17.236 1.00 0.00 N
653
+ ATOM 653 CA SER A 81 -9.217 13.130 16.610 1.00 0.00 C
654
+ ATOM 654 C SER A 81 -8.009 13.240 17.533 1.00 0.00 C
655
+ ATOM 655 CB SER A 81 -9.703 14.528 16.222 1.00 0.00 C
656
+ ATOM 656 O SER A 81 -8.156 13.491 18.731 1.00 0.00 O
657
+ ATOM 657 OG SER A 81 -10.738 14.452 15.258 1.00 0.00 O
658
+ ATOM 658 N GLY A 82 -6.930 12.999 16.922 1.00 0.00 N
659
+ ATOM 659 CA GLY A 82 -5.669 13.084 17.642 1.00 0.00 C
660
+ ATOM 660 C GLY A 82 -5.372 11.850 18.472 1.00 0.00 C
661
+ ATOM 661 O GLY A 82 -4.351 11.791 19.161 1.00 0.00 O
662
+ ATOM 662 N LYS A 83 -6.195 10.836 18.474 1.00 0.00 N
663
+ ATOM 663 CA LYS A 83 -6.017 9.653 19.311 1.00 0.00 C
664
+ ATOM 664 C LYS A 83 -5.645 8.435 18.470 1.00 0.00 C
665
+ ATOM 665 CB LYS A 83 -7.287 9.368 20.114 1.00 0.00 C
666
+ ATOM 666 O LYS A 83 -6.075 8.313 17.320 1.00 0.00 O
667
+ ATOM 667 CG LYS A 83 -7.662 10.473 21.091 1.00 0.00 C
668
+ ATOM 668 CD LYS A 83 -6.640 10.598 22.213 1.00 0.00 C
669
+ ATOM 669 CE LYS A 83 -7.078 11.615 23.259 1.00 0.00 C
670
+ ATOM 670 NZ LYS A 83 -6.125 11.673 24.407 1.00 0.00 N
671
+ ATOM 671 N PRO A 84 -4.827 7.544 19.105 1.00 0.00 N
672
+ ATOM 672 CA PRO A 84 -4.559 6.260 18.451 1.00 0.00 C
673
+ ATOM 673 C PRO A 84 -5.808 5.391 18.322 1.00 0.00 C
674
+ ATOM 674 CB PRO A 84 -3.528 5.603 19.372 1.00 0.00 C
675
+ ATOM 675 O PRO A 84 -6.742 5.525 19.116 1.00 0.00 O
676
+ ATOM 676 CG PRO A 84 -3.823 6.156 20.729 1.00 0.00 C
677
+ ATOM 677 CD PRO A 84 -4.308 7.568 20.575 1.00 0.00 C
678
+ ATOM 678 N PHE A 85 -5.809 4.554 17.307 1.00 0.00 N
679
+ ATOM 679 CA PHE A 85 -6.870 3.571 17.125 1.00 0.00 C
680
+ ATOM 680 C PHE A 85 -6.299 2.241 16.643 1.00 0.00 C
681
+ ATOM 681 CB PHE A 85 -7.916 4.084 16.131 1.00 0.00 C
682
+ ATOM 682 O PHE A 85 -5.217 2.202 16.055 1.00 0.00 O
683
+ ATOM 683 CG PHE A 85 -7.402 4.216 14.722 1.00 0.00 C
684
+ ATOM 684 CD1 PHE A 85 -6.979 5.446 14.234 1.00 0.00 C
685
+ ATOM 685 CD2 PHE A 85 -7.342 3.108 13.887 1.00 0.00 C
686
+ ATOM 686 CE1 PHE A 85 -6.503 5.570 12.930 1.00 0.00 C
687
+ ATOM 687 CE2 PHE A 85 -6.867 3.224 12.583 1.00 0.00 C
688
+ ATOM 688 CZ PHE A 85 -6.449 4.457 12.106 1.00 0.00 C
689
+ ATOM 689 N LYS A 86 -6.993 1.175 16.975 1.00 0.00 N
690
+ ATOM 690 CA LYS A 86 -6.848 -0.159 16.400 1.00 0.00 C
691
+ ATOM 691 C LYS A 86 -8.132 -0.602 15.706 1.00 0.00 C
692
+ ATOM 692 CB LYS A 86 -6.461 -1.171 17.479 1.00 0.00 C
693
+ ATOM 693 O LYS A 86 -9.180 -0.723 16.345 1.00 0.00 O
694
+ ATOM 694 CG LYS A 86 -6.297 -2.594 16.964 1.00 0.00 C
695
+ ATOM 695 CD LYS A 86 -5.753 -3.520 18.044 1.00 0.00 C
696
+ ATOM 696 CE LYS A 86 -6.797 -3.805 19.116 1.00 0.00 C
697
+ ATOM 697 NZ LYS A 86 -6.310 -4.807 20.111 1.00 0.00 N
698
+ ATOM 698 N ILE A 87 -8.104 -0.800 14.370 1.00 0.00 N
699
+ ATOM 699 CA ILE A 87 -9.194 -1.427 13.631 1.00 0.00 C
700
+ ATOM 700 C ILE A 87 -8.852 -2.887 13.346 1.00 0.00 C
701
+ ATOM 701 CB ILE A 87 -9.488 -0.678 12.313 1.00 0.00 C
702
+ ATOM 702 O ILE A 87 -7.745 -3.196 12.895 1.00 0.00 O
703
+ ATOM 703 CG1 ILE A 87 -9.810 0.794 12.595 1.00 0.00 C
704
+ ATOM 704 CG2 ILE A 87 -10.632 -1.353 11.551 1.00 0.00 C
705
+ ATOM 705 CD1 ILE A 87 -9.817 1.676 11.353 1.00 0.00 C
706
+ ATOM 706 N GLN A 88 -9.789 -3.772 13.605 1.00 0.00 N
707
+ ATOM 707 CA GLN A 88 -9.717 -5.174 13.205 1.00 0.00 C
708
+ ATOM 708 C GLN A 88 -10.893 -5.549 12.307 1.00 0.00 C
709
+ ATOM 709 CB GLN A 88 -9.683 -6.083 14.434 1.00 0.00 C
710
+ ATOM 710 O GLN A 88 -12.049 -5.288 12.647 1.00 0.00 O
711
+ ATOM 711 CG GLN A 88 -8.425 -5.930 15.278 1.00 0.00 C
712
+ ATOM 712 CD GLN A 88 -8.434 -6.813 16.512 1.00 0.00 C
713
+ ATOM 713 NE2 GLN A 88 -7.594 -7.841 16.512 1.00 0.00 N
714
+ ATOM 714 OE1 GLN A 88 -9.191 -6.572 17.458 1.00 0.00 O
715
+ ATOM 715 N VAL A 89 -10.607 -6.107 11.134 1.00 0.00 N
716
+ ATOM 716 CA VAL A 89 -11.620 -6.628 10.222 1.00 0.00 C
717
+ ATOM 717 C VAL A 89 -11.461 -8.141 10.083 1.00 0.00 C
718
+ ATOM 718 CB VAL A 89 -11.535 -5.953 8.834 1.00 0.00 C
719
+ ATOM 719 O VAL A 89 -10.459 -8.619 9.544 1.00 0.00 O
720
+ ATOM 720 CG1 VAL A 89 -12.683 -6.416 7.939 1.00 0.00 C
721
+ ATOM 721 CG2 VAL A 89 -11.547 -4.433 8.980 1.00 0.00 C
722
+ ATOM 722 N LEU A 90 -12.398 -8.888 10.614 1.00 0.00 N
723
+ ATOM 723 CA LEU A 90 -12.435 -10.338 10.458 1.00 0.00 C
724
+ ATOM 724 C LEU A 90 -13.281 -10.734 9.252 1.00 0.00 C
725
+ ATOM 725 CB LEU A 90 -12.987 -11.000 11.723 1.00 0.00 C
726
+ ATOM 726 O LEU A 90 -14.446 -10.342 9.150 1.00 0.00 O
727
+ ATOM 727 CG LEU A 90 -13.079 -12.526 11.705 1.00 0.00 C
728
+ ATOM 728 CD1 LEU A 90 -11.690 -13.139 11.558 1.00 0.00 C
729
+ ATOM 729 CD2 LEU A 90 -13.763 -13.036 12.970 1.00 0.00 C
730
+ ATOM 730 N VAL A 91 -12.700 -11.558 8.371 1.00 0.00 N
731
+ ATOM 731 CA VAL A 91 -13.406 -12.095 7.213 1.00 0.00 C
732
+ ATOM 732 C VAL A 91 -14.180 -13.348 7.616 1.00 0.00 C
733
+ ATOM 733 CB VAL A 91 -12.436 -12.417 6.055 1.00 0.00 C
734
+ ATOM 734 O VAL A 91 -13.597 -14.309 8.124 1.00 0.00 O
735
+ ATOM 735 CG1 VAL A 91 -13.204 -12.895 4.824 1.00 0.00 C
736
+ ATOM 736 CG2 VAL A 91 -11.585 -11.195 5.716 1.00 0.00 C
737
+ ATOM 737 N GLU A 92 -15.478 -13.308 7.384 1.00 0.00 N
738
+ ATOM 738 CA GLU A 92 -16.351 -14.469 7.539 1.00 0.00 C
739
+ ATOM 739 C GLU A 92 -16.965 -14.880 6.204 1.00 0.00 C
740
+ ATOM 740 CB GLU A 92 -17.456 -14.178 8.559 1.00 0.00 C
741
+ ATOM 741 O GLU A 92 -16.899 -14.131 5.227 1.00 0.00 O
742
+ ATOM 742 CG GLU A 92 -16.942 -13.944 9.972 1.00 0.00 C
743
+ ATOM 743 CD GLU A 92 -16.438 -15.211 10.645 1.00 0.00 C
744
+ ATOM 744 OE1 GLU A 92 -15.935 -15.131 11.789 1.00 0.00 O
745
+ ATOM 745 OE2 GLU A 92 -16.547 -16.291 10.023 1.00 0.00 O
746
+ ATOM 746 N PRO A 93 -17.526 -16.096 6.076 1.00 0.00 N
747
+ ATOM 747 CA PRO A 93 -18.049 -16.584 4.797 1.00 0.00 C
748
+ ATOM 748 C PRO A 93 -19.132 -15.677 4.218 1.00 0.00 C
749
+ ATOM 749 CB PRO A 93 -18.620 -17.960 5.152 1.00 0.00 C
750
+ ATOM 750 O PRO A 93 -19.259 -15.563 2.995 1.00 0.00 O
751
+ ATOM 751 CG PRO A 93 -17.785 -18.437 6.295 1.00 0.00 C
752
+ ATOM 752 CD PRO A 93 -17.460 -17.262 7.173 1.00 0.00 C
753
+ ATOM 753 N ASP A 94 -19.864 -14.970 5.124 1.00 0.00 N
754
+ ATOM 754 CA ASP A 94 -21.044 -14.259 4.642 1.00 0.00 C
755
+ ATOM 755 C ASP A 94 -20.992 -12.783 5.029 1.00 0.00 C
756
+ ATOM 756 CB ASP A 94 -22.319 -14.902 5.191 1.00 0.00 C
757
+ ATOM 757 O ASP A 94 -21.837 -11.993 4.602 1.00 0.00 O
758
+ ATOM 758 CG ASP A 94 -22.350 -14.957 6.709 1.00 0.00 C
759
+ ATOM 759 OD1 ASP A 94 -21.317 -14.666 7.350 1.00 0.00 O
760
+ ATOM 760 OD2 ASP A 94 -23.415 -15.298 7.267 1.00 0.00 O
761
+ ATOM 761 N HIS A 95 -20.040 -12.354 5.819 1.00 0.00 N
762
+ ATOM 762 CA HIS A 95 -19.966 -10.962 6.251 1.00 0.00 C
763
+ ATOM 763 C HIS A 95 -18.544 -10.583 6.647 1.00 0.00 C
764
+ ATOM 764 CB HIS A 95 -20.921 -10.712 7.421 1.00 0.00 C
765
+ ATOM 765 O HIS A 95 -17.693 -11.456 6.836 1.00 0.00 O
766
+ ATOM 766 CG HIS A 95 -20.597 -11.516 8.641 1.00 0.00 C
767
+ ATOM 767 CD2 HIS A 95 -19.909 -11.192 9.761 1.00 0.00 C
768
+ ATOM 768 ND1 HIS A 95 -20.999 -12.824 8.798 1.00 0.00 N
769
+ ATOM 769 CE1 HIS A 95 -20.569 -13.273 9.965 1.00 0.00 C
770
+ ATOM 770 NE2 HIS A 95 -19.905 -12.301 10.569 1.00 0.00 N
771
+ ATOM 771 N PHE A 96 -18.254 -9.258 6.658 1.00 0.00 N
772
+ ATOM 772 CA PHE A 96 -17.138 -8.682 7.396 1.00 0.00 C
773
+ ATOM 773 C PHE A 96 -17.568 -8.280 8.802 1.00 0.00 C
774
+ ATOM 774 CB PHE A 96 -16.571 -7.466 6.654 1.00 0.00 C
775
+ ATOM 775 O PHE A 96 -18.607 -7.642 8.981 1.00 0.00 O
776
+ ATOM 776 CG PHE A 96 -15.944 -7.803 5.328 1.00 0.00 C
777
+ ATOM 777 CD1 PHE A 96 -14.667 -8.348 5.267 1.00 0.00 C
778
+ ATOM 778 CD2 PHE A 96 -16.631 -7.576 4.143 1.00 0.00 C
779
+ ATOM 779 CE1 PHE A 96 -14.083 -8.661 4.042 1.00 0.00 C
780
+ ATOM 780 CE2 PHE A 96 -16.055 -7.886 2.916 1.00 0.00 C
781
+ ATOM 781 CZ PHE A 96 -14.780 -8.428 2.866 1.00 0.00 C
782
+ ATOM 782 N LYS A 97 -16.729 -8.661 9.804 1.00 0.00 N
783
+ ATOM 783 CA LYS A 97 -16.902 -8.174 11.169 1.00 0.00 C
784
+ ATOM 784 C LYS A 97 -15.842 -7.133 11.519 1.00 0.00 C
785
+ ATOM 785 CB LYS A 97 -16.846 -9.333 12.164 1.00 0.00 C
786
+ ATOM 786 O LYS A 97 -14.646 -7.371 11.337 1.00 0.00 O
787
+ ATOM 787 CG LYS A 97 -17.625 -9.085 13.448 1.00 0.00 C
788
+ ATOM 788 CD LYS A 97 -17.588 -10.300 14.367 1.00 0.00 C
789
+ ATOM 789 CE LYS A 97 -18.584 -10.165 15.512 1.00 0.00 C
790
+ ATOM 790 NZ LYS A 97 -18.668 -11.417 16.322 1.00 0.00 N
791
+ ATOM 791 N VAL A 98 -16.332 -5.966 12.028 1.00 0.00 N
792
+ ATOM 792 CA VAL A 98 -15.411 -4.886 12.369 1.00 0.00 C
793
+ ATOM 793 C VAL A 98 -15.426 -4.651 13.878 1.00 0.00 C
794
+ ATOM 794 CB VAL A 98 -15.768 -3.579 11.624 1.00 0.00 C
795
+ ATOM 795 O VAL A 98 -16.493 -4.525 14.483 1.00 0.00 O
796
+ ATOM 796 CG1 VAL A 98 -14.740 -2.489 11.923 1.00 0.00 C
797
+ ATOM 797 CG2 VAL A 98 -15.861 -3.832 10.121 1.00 0.00 C
798
+ ATOM 798 N ALA A 99 -14.235 -4.621 14.494 1.00 0.00 N
799
+ ATOM 799 CA ALA A 99 -14.004 -4.132 15.851 1.00 0.00 C
800
+ ATOM 800 C ALA A 99 -13.074 -2.922 15.847 1.00 0.00 C
801
+ ATOM 801 CB ALA A 99 -13.425 -5.242 16.724 1.00 0.00 C
802
+ ATOM 802 O ALA A 99 -12.155 -2.840 15.030 1.00 0.00 O
803
+ ATOM 803 N VAL A 100 -13.317 -2.001 16.699 1.00 0.00 N
804
+ ATOM 804 CA VAL A 100 -12.445 -0.853 16.926 1.00 0.00 C
805
+ ATOM 805 C VAL A 100 -12.068 -0.775 18.403 1.00 0.00 C
806
+ ATOM 806 CB VAL A 100 -13.115 0.465 16.477 1.00 0.00 C
807
+ ATOM 807 O VAL A 100 -12.937 -0.835 19.276 1.00 0.00 O
808
+ ATOM 808 CG1 VAL A 100 -12.179 1.651 16.705 1.00 0.00 C
809
+ ATOM 809 CG2 VAL A 100 -13.526 0.381 15.008 1.00 0.00 C
810
+ ATOM 810 N ASN A 101 -10.743 -0.734 18.632 1.00 0.00 N
811
+ ATOM 811 CA ASN A 101 -10.172 -0.709 19.975 1.00 0.00 C
812
+ ATOM 812 C ASN A 101 -10.690 -1.866 20.825 1.00 0.00 C
813
+ ATOM 813 CB ASN A 101 -10.468 0.627 20.659 1.00 0.00 C
814
+ ATOM 814 O ASN A 101 -11.162 -1.657 21.944 1.00 0.00 O
815
+ ATOM 815 CG ASN A 101 -9.880 1.808 19.914 1.00 0.00 C
816
+ ATOM 816 ND2 ASN A 101 -10.509 2.969 20.051 1.00 0.00 N
817
+ ATOM 817 OD1 ASN A 101 -8.868 1.678 19.218 1.00 0.00 O
818
+ ATOM 818 N ASP A 102 -10.726 -3.014 20.174 1.00 0.00 N
819
+ ATOM 819 CA ASP A 102 -11.022 -4.331 20.730 1.00 0.00 C
820
+ ATOM 820 C ASP A 102 -12.500 -4.454 21.096 1.00 0.00 C
821
+ ATOM 821 CB ASP A 102 -10.151 -4.605 21.957 1.00 0.00 C
822
+ ATOM 822 O ASP A 102 -12.911 -5.435 21.719 1.00 0.00 O
823
+ ATOM 823 CG ASP A 102 -8.665 -4.511 21.663 1.00 0.00 C
824
+ ATOM 824 OD1 ASP A 102 -8.210 -5.057 20.634 1.00 0.00 O
825
+ ATOM 825 OD2 ASP A 102 -7.940 -3.886 22.467 1.00 0.00 O
826
+ ATOM 826 N ALA A 103 -13.393 -3.506 20.703 1.00 0.00 N
827
+ ATOM 827 CA ALA A 103 -14.844 -3.563 20.854 1.00 0.00 C
828
+ ATOM 828 C ALA A 103 -15.525 -3.819 19.513 1.00 0.00 C
829
+ ATOM 829 CB ALA A 103 -15.366 -2.269 21.474 1.00 0.00 C
830
+ ATOM 830 O ALA A 103 -15.210 -3.167 18.515 1.00 0.00 O
831
+ ATOM 831 N HIS A 104 -16.497 -4.768 19.567 1.00 0.00 N
832
+ ATOM 832 CA HIS A 104 -17.296 -4.998 18.369 1.00 0.00 C
833
+ ATOM 833 C HIS A 104 -18.031 -3.730 17.946 1.00 0.00 C
834
+ ATOM 834 CB HIS A 104 -18.296 -6.132 18.601 1.00 0.00 C
835
+ ATOM 835 O HIS A 104 -18.671 -3.073 18.771 1.00 0.00 O
836
+ ATOM 836 CG HIS A 104 -19.206 -6.377 17.440 1.00 0.00 C
837
+ ATOM 837 CD2 HIS A 104 -20.519 -6.097 17.265 1.00 0.00 C
838
+ ATOM 838 ND1 HIS A 104 -18.783 -6.985 16.278 1.00 0.00 N
839
+ ATOM 839 CE1 HIS A 104 -19.799 -7.068 15.436 1.00 0.00 C
840
+ ATOM 840 NE2 HIS A 104 -20.864 -6.536 16.010 1.00 0.00 N
841
+ ATOM 841 N LEU A 105 -17.946 -3.433 16.594 1.00 0.00 N
842
+ ATOM 842 CA LEU A 105 -18.580 -2.219 16.092 1.00 0.00 C
843
+ ATOM 843 C LEU A 105 -19.739 -2.557 15.160 1.00 0.00 C
844
+ ATOM 844 CB LEU A 105 -17.559 -1.344 15.359 1.00 0.00 C
845
+ ATOM 845 O LEU A 105 -20.860 -2.085 15.361 1.00 0.00 O
846
+ ATOM 846 CG LEU A 105 -18.090 -0.043 14.757 1.00 0.00 C
847
+ ATOM 847 CD1 LEU A 105 -18.592 0.885 15.858 1.00 0.00 C
848
+ ATOM 848 CD2 LEU A 105 -17.010 0.641 13.924 1.00 0.00 C
849
+ ATOM 849 N LEU A 106 -19.460 -3.392 14.117 1.00 0.00 N
850
+ ATOM 850 CA LEU A 106 -20.511 -3.701 13.153 1.00 0.00 C
851
+ ATOM 851 C LEU A 106 -20.207 -4.999 12.414 1.00 0.00 C
852
+ ATOM 852 CB LEU A 106 -20.671 -2.555 12.149 1.00 0.00 C
853
+ ATOM 853 O LEU A 106 -19.095 -5.526 12.506 1.00 0.00 O
854
+ ATOM 854 CG LEU A 106 -19.451 -2.236 11.284 1.00 0.00 C
855
+ ATOM 855 CD1 LEU A 106 -19.383 -3.187 10.094 1.00 0.00 C
856
+ ATOM 856 CD2 LEU A 106 -19.493 -0.786 10.815 1.00 0.00 C
857
+ ATOM 857 N GLN A 107 -21.279 -5.530 11.760 1.00 0.00 N
858
+ ATOM 858 CA GLN A 107 -21.181 -6.565 10.735 1.00 0.00 C
859
+ ATOM 859 C GLN A 107 -21.699 -6.061 9.392 1.00 0.00 C
860
+ ATOM 860 CB GLN A 107 -21.954 -7.815 11.161 1.00 0.00 C
861
+ ATOM 861 O GLN A 107 -22.717 -5.368 9.334 1.00 0.00 O
862
+ ATOM 862 CG GLN A 107 -21.318 -8.566 12.323 1.00 0.00 C
863
+ ATOM 863 CD GLN A 107 -22.078 -9.825 12.695 1.00 0.00 C
864
+ ATOM 864 NE2 GLN A 107 -21.411 -10.734 13.398 1.00 0.00 N
865
+ ATOM 865 OE1 GLN A 107 -23.255 -9.979 12.354 1.00 0.00 O
866
+ ATOM 866 N TYR A 108 -20.968 -6.354 8.348 1.00 0.00 N
867
+ ATOM 867 CA TYR A 108 -21.380 -5.999 6.994 1.00 0.00 C
868
+ ATOM 868 C TYR A 108 -21.542 -7.244 6.130 1.00 0.00 C
869
+ ATOM 869 CB TYR A 108 -20.363 -5.048 6.354 1.00 0.00 C
870
+ ATOM 870 O TYR A 108 -20.557 -7.902 5.786 1.00 0.00 O
871
+ ATOM 871 CG TYR A 108 -20.770 -4.556 4.986 1.00 0.00 C
872
+ ATOM 872 CD1 TYR A 108 -20.275 -5.159 3.832 1.00 0.00 C
873
+ ATOM 873 CD2 TYR A 108 -21.648 -3.487 4.846 1.00 0.00 C
874
+ ATOM 874 CE1 TYR A 108 -20.646 -4.707 2.570 1.00 0.00 C
875
+ ATOM 875 CE2 TYR A 108 -22.025 -3.027 3.588 1.00 0.00 C
876
+ ATOM 876 OH TYR A 108 -21.890 -3.192 1.211 1.00 0.00 O
877
+ ATOM 877 CZ TYR A 108 -21.520 -3.642 2.459 1.00 0.00 C
878
+ ATOM 878 N ASN A 109 -22.792 -7.552 5.749 1.00 0.00 N
879
+ ATOM 879 CA ASN A 109 -23.069 -8.723 4.923 1.00 0.00 C
880
+ ATOM 880 C ASN A 109 -22.556 -8.536 3.498 1.00 0.00 C
881
+ ATOM 881 CB ASN A 109 -24.567 -9.031 4.912 1.00 0.00 C
882
+ ATOM 882 O ASN A 109 -22.895 -7.554 2.835 1.00 0.00 O
883
+ ATOM 883 CG ASN A 109 -25.085 -9.455 6.272 1.00 0.00 C
884
+ ATOM 884 ND2 ASN A 109 -26.330 -9.102 6.570 1.00 0.00 N
885
+ ATOM 885 OD1 ASN A 109 -24.372 -10.095 7.050 1.00 0.00 O
886
+ ATOM 886 N HIS A 110 -21.755 -9.497 3.046 1.00 0.00 N
887
+ ATOM 887 CA HIS A 110 -21.163 -9.448 1.714 1.00 0.00 C
888
+ ATOM 888 C HIS A 110 -22.235 -9.290 0.640 1.00 0.00 C
889
+ ATOM 889 CB HIS A 110 -20.337 -10.709 1.449 1.00 0.00 C
890
+ ATOM 890 O HIS A 110 -23.247 -9.993 0.660 1.00 0.00 O
891
+ ATOM 891 CG HIS A 110 -19.229 -10.918 2.431 1.00 0.00 C
892
+ ATOM 892 CD2 HIS A 110 -18.856 -12.015 3.131 1.00 0.00 C
893
+ ATOM 893 ND1 HIS A 110 -18.354 -9.915 2.789 1.00 0.00 N
894
+ ATOM 894 CE1 HIS A 110 -17.488 -10.389 3.670 1.00 0.00 C
895
+ ATOM 895 NE2 HIS A 110 -17.771 -11.661 3.894 1.00 0.00 N
896
+ ATOM 896 N ARG A 111 -21.880 -8.522 -0.266 1.00 0.00 N
897
+ ATOM 897 CA ARG A 111 -22.668 -8.461 -1.492 1.00 0.00 C
898
+ ATOM 898 C ARG A 111 -21.909 -9.074 -2.664 1.00 0.00 C
899
+ ATOM 899 CB ARG A 111 -23.049 -7.013 -1.815 1.00 0.00 C
900
+ ATOM 900 O ARG A 111 -22.451 -9.199 -3.764 1.00 0.00 O
901
+ ATOM 901 CG ARG A 111 -23.866 -6.334 -0.727 1.00 0.00 C
902
+ ATOM 902 CD ARG A 111 -24.152 -4.878 -1.064 1.00 0.00 C
903
+ ATOM 903 NE ARG A 111 -24.843 -4.197 0.028 1.00 0.00 N
904
+ ATOM 904 NH1 ARG A 111 -24.682 -2.091 -0.906 1.00 0.00 N
905
+ ATOM 905 NH2 ARG A 111 -25.716 -2.375 1.119 1.00 0.00 N
906
+ ATOM 906 CZ ARG A 111 -25.078 -2.890 0.078 1.00 0.00 C
907
+ ATOM 907 N VAL A 112 -20.659 -9.415 -2.321 1.00 0.00 N
908
+ ATOM 908 CA VAL A 112 -19.752 -10.064 -3.261 1.00 0.00 C
909
+ ATOM 909 C VAL A 112 -19.499 -11.505 -2.825 1.00 0.00 C
910
+ ATOM 910 CB VAL A 112 -18.413 -9.300 -3.378 1.00 0.00 C
911
+ ATOM 911 O VAL A 112 -19.044 -11.750 -1.705 1.00 0.00 O
912
+ ATOM 912 CG1 VAL A 112 -17.461 -10.022 -4.329 1.00 0.00 C
913
+ ATOM 913 CG2 VAL A 112 -18.656 -7.867 -3.846 1.00 0.00 C
914
+ ATOM 914 N LYS A 113 -19.720 -12.429 -3.694 1.00 0.00 N
915
+ ATOM 915 CA LYS A 113 -19.633 -13.846 -3.352 1.00 0.00 C
916
+ ATOM 916 C LYS A 113 -18.216 -14.374 -3.554 1.00 0.00 C
917
+ ATOM 917 CB LYS A 113 -20.621 -14.662 -4.187 1.00 0.00 C
918
+ ATOM 918 O LYS A 113 -17.766 -15.257 -2.820 1.00 0.00 O
919
+ ATOM 919 CG LYS A 113 -22.082 -14.387 -3.861 1.00 0.00 C
920
+ ATOM 920 CD LYS A 113 -23.009 -15.344 -4.600 1.00 0.00 C
921
+ ATOM 921 CE LYS A 113 -24.470 -15.080 -4.262 1.00 0.00 C
922
+ ATOM 922 NZ LYS A 113 -25.380 -16.042 -4.953 1.00 0.00 N
923
+ ATOM 923 N LYS A 114 -17.493 -13.813 -4.432 1.00 0.00 N
924
+ ATOM 924 CA LYS A 114 -16.150 -14.291 -4.747 1.00 0.00 C
925
+ ATOM 925 C LYS A 114 -15.101 -13.580 -3.896 1.00 0.00 C
926
+ ATOM 926 CB LYS A 114 -15.844 -14.089 -6.232 1.00 0.00 C
927
+ ATOM 927 O LYS A 114 -14.342 -12.751 -4.402 1.00 0.00 O
928
+ ATOM 928 CG LYS A 114 -16.716 -14.920 -7.162 1.00 0.00 C
929
+ ATOM 929 CD LYS A 114 -16.318 -14.729 -8.620 1.00 0.00 C
930
+ ATOM 930 CE LYS A 114 -17.215 -15.530 -9.555 1.00 0.00 C
931
+ ATOM 931 NZ LYS A 114 -16.839 -15.334 -10.987 1.00 0.00 N
932
+ ATOM 932 N LEU A 115 -14.869 -14.017 -2.625 1.00 0.00 N
933
+ ATOM 933 CA LEU A 115 -14.012 -13.399 -1.618 1.00 0.00 C
934
+ ATOM 934 C LEU A 115 -12.546 -13.481 -2.028 1.00 0.00 C
935
+ ATOM 935 CB LEU A 115 -14.212 -14.074 -0.257 1.00 0.00 C
936
+ ATOM 936 O LEU A 115 -11.779 -12.544 -1.798 1.00 0.00 O
937
+ ATOM 937 CG LEU A 115 -15.592 -13.912 0.382 1.00 0.00 C
938
+ ATOM 938 CD1 LEU A 115 -15.626 -14.595 1.746 1.00 0.00 C
939
+ ATOM 939 CD2 LEU A 115 -15.952 -12.436 0.509 1.00 0.00 C
940
+ ATOM 940 N ASN A 116 -12.250 -14.590 -2.647 1.00 0.00 N
941
+ ATOM 941 CA ASN A 116 -10.877 -14.862 -3.061 1.00 0.00 C
942
+ ATOM 942 C ASN A 116 -10.407 -13.876 -4.125 1.00 0.00 C
943
+ ATOM 943 CB ASN A 116 -10.743 -16.298 -3.571 1.00 0.00 C
944
+ ATOM 944 O ASN A 116 -9.211 -13.787 -4.411 1.00 0.00 O
945
+ ATOM 945 CG ASN A 116 -11.577 -16.557 -4.811 1.00 0.00 C
946
+ ATOM 946 ND2 ASN A 116 -10.984 -17.223 -5.795 1.00 0.00 N
947
+ ATOM 947 OD1 ASN A 116 -12.742 -16.161 -4.884 1.00 0.00 O
948
+ ATOM 948 N GLU A 117 -11.310 -13.148 -4.695 1.00 0.00 N
949
+ ATOM 949 CA GLU A 117 -10.954 -12.145 -5.693 1.00 0.00 C
950
+ ATOM 950 C GLU A 117 -10.684 -10.792 -5.044 1.00 0.00 C
951
+ ATOM 951 CB GLU A 117 -12.061 -12.015 -6.742 1.00 0.00 C
952
+ ATOM 952 O GLU A 117 -10.202 -9.867 -5.701 1.00 0.00 O
953
+ ATOM 953 CG GLU A 117 -12.232 -13.250 -7.614 1.00 0.00 C
954
+ ATOM 954 CD GLU A 117 -13.345 -13.111 -8.641 1.00 0.00 C
955
+ ATOM 955 OE1 GLU A 117 -13.698 -14.120 -9.293 1.00 0.00 O
956
+ ATOM 956 OE2 GLU A 117 -13.866 -11.984 -8.795 1.00 0.00 O
957
+ ATOM 957 N ILE A 118 -11.001 -10.620 -3.803 1.00 0.00 N
958
+ ATOM 958 CA ILE A 118 -10.647 -9.421 -3.054 1.00 0.00 C
959
+ ATOM 959 C ILE A 118 -9.146 -9.411 -2.773 1.00 0.00 C
960
+ ATOM 960 CB ILE A 118 -11.441 -9.326 -1.731 1.00 0.00 C
961
+ ATOM 961 O ILE A 118 -8.689 -10.000 -1.790 1.00 0.00 O
962
+ ATOM 962 CG1 ILE A 118 -12.945 -9.441 -2.002 1.00 0.00 C
963
+ ATOM 963 CG2 ILE A 118 -11.113 -8.023 -0.997 1.00 0.00 C
964
+ ATOM 964 CD1 ILE A 118 -13.795 -9.534 -0.742 1.00 0.00 C
965
+ ATOM 965 N SER A 119 -8.373 -8.704 -3.565 1.00 0.00 N
966
+ ATOM 966 CA SER A 119 -6.933 -8.916 -3.662 1.00 0.00 C
967
+ ATOM 967 C SER A 119 -6.160 -7.759 -3.039 1.00 0.00 C
968
+ ATOM 968 CB SER A 119 -6.515 -9.092 -5.124 1.00 0.00 C
969
+ ATOM 969 O SER A 119 -4.932 -7.808 -2.941 1.00 0.00 O
970
+ ATOM 970 OG SER A 119 -6.889 -7.961 -5.893 1.00 0.00 O
971
+ ATOM 971 N LYS A 120 -6.870 -6.732 -2.592 1.00 0.00 N
972
+ ATOM 972 CA LYS A 120 -6.200 -5.534 -2.096 1.00 0.00 C
973
+ ATOM 973 C LYS A 120 -7.055 -4.815 -1.057 1.00 0.00 C
974
+ ATOM 974 CB LYS A 120 -5.871 -4.586 -3.251 1.00 0.00 C
975
+ ATOM 975 O LYS A 120 -8.272 -4.697 -1.221 1.00 0.00 O
976
+ ATOM 976 CG LYS A 120 -5.066 -3.363 -2.837 1.00 0.00 C
977
+ ATOM 977 CD LYS A 120 -4.720 -2.491 -4.037 1.00 0.00 C
978
+ ATOM 978 CE LYS A 120 -5.950 -1.779 -4.585 1.00 0.00 C
979
+ ATOM 979 NZ LYS A 120 -5.605 -0.871 -5.720 1.00 0.00 N
980
+ ATOM 980 N LEU A 121 -6.369 -4.314 -0.008 1.00 0.00 N
981
+ ATOM 981 CA LEU A 121 -6.952 -3.309 0.874 1.00 0.00 C
982
+ ATOM 982 C LEU A 121 -6.308 -1.946 0.644 1.00 0.00 C
983
+ ATOM 983 CB LEU A 121 -6.791 -3.722 2.339 1.00 0.00 C
984
+ ATOM 984 O LEU A 121 -5.114 -1.767 0.900 1.00 0.00 O
985
+ ATOM 985 CG LEU A 121 -7.125 -2.656 3.384 1.00 0.00 C
986
+ ATOM 986 CD1 LEU A 121 -8.597 -2.269 3.294 1.00 0.00 C
987
+ ATOM 987 CD2 LEU A 121 -6.782 -3.154 4.784 1.00 0.00 C
988
+ ATOM 988 N GLY A 122 -7.076 -0.976 0.131 1.00 0.00 N
989
+ ATOM 989 CA GLY A 122 -6.679 0.422 0.088 1.00 0.00 C
990
+ ATOM 990 C GLY A 122 -6.999 1.173 1.367 1.00 0.00 C
991
+ ATOM 991 O GLY A 122 -8.125 1.109 1.865 1.00 0.00 O
992
+ ATOM 992 N ILE A 123 -6.102 1.853 1.994 1.00 0.00 N
993
+ ATOM 993 CA ILE A 123 -6.232 2.689 3.182 1.00 0.00 C
994
+ ATOM 994 C ILE A 123 -5.951 4.146 2.821 1.00 0.00 C
995
+ ATOM 995 CB ILE A 123 -5.283 2.223 4.308 1.00 0.00 C
996
+ ATOM 996 O ILE A 123 -4.912 4.457 2.235 1.00 0.00 O
997
+ ATOM 997 CG1 ILE A 123 -5.470 0.725 4.579 1.00 0.00 C
998
+ ATOM 998 CG2 ILE A 123 -5.512 3.041 5.582 1.00 0.00 C
999
+ ATOM 999 CD1 ILE A 123 -4.403 0.121 5.481 1.00 0.00 C
1000
+ ATOM 1000 N SER A 124 -6.880 5.041 3.138 1.00 0.00 N
1001
+ ATOM 1001 CA SER A 124 -6.748 6.447 2.771 1.00 0.00 C
1002
+ ATOM 1002 C SER A 124 -7.453 7.349 3.778 1.00 0.00 C
1003
+ ATOM 1003 CB SER A 124 -7.314 6.692 1.371 1.00 0.00 C
1004
+ ATOM 1004 O SER A 124 -8.240 6.875 4.601 1.00 0.00 O
1005
+ ATOM 1005 OG SER A 124 -8.702 6.411 1.334 1.00 0.00 O
1006
+ ATOM 1006 N GLY A 125 -7.182 8.704 3.659 1.00 0.00 N
1007
+ ATOM 1007 CA GLY A 125 -7.820 9.697 4.508 1.00 0.00 C
1008
+ ATOM 1008 C GLY A 125 -6.880 10.299 5.535 1.00 0.00 C
1009
+ ATOM 1009 O GLY A 125 -5.677 10.413 5.290 1.00 0.00 O
1010
+ ATOM 1010 N ASP A 126 -7.433 10.781 6.637 1.00 0.00 N
1011
+ ATOM 1011 CA ASP A 126 -6.761 11.680 7.569 1.00 0.00 C
1012
+ ATOM 1012 C ASP A 126 -6.218 10.917 8.774 1.00 0.00 C
1013
+ ATOM 1013 CB ASP A 126 -7.715 12.784 8.032 1.00 0.00 C
1014
+ ATOM 1014 O ASP A 126 -6.625 11.168 9.910 1.00 0.00 O
1015
+ ATOM 1015 CG ASP A 126 -8.280 13.600 6.883 1.00 0.00 C
1016
+ ATOM 1016 OD1 ASP A 126 -7.503 14.054 6.016 1.00 0.00 O
1017
+ ATOM 1017 OD2 ASP A 126 -9.514 13.793 6.845 1.00 0.00 O
1018
+ ATOM 1018 N ILE A 127 -5.226 10.051 8.533 1.00 0.00 N
1019
+ ATOM 1019 CA ILE A 127 -4.620 9.238 9.583 1.00 0.00 C
1020
+ ATOM 1020 C ILE A 127 -3.102 9.226 9.415 1.00 0.00 C
1021
+ ATOM 1021 CB ILE A 127 -5.172 7.796 9.570 1.00 0.00 C
1022
+ ATOM 1022 O ILE A 127 -2.594 9.361 8.299 1.00 0.00 O
1023
+ ATOM 1023 CG1 ILE A 127 -4.868 7.119 8.229 1.00 0.00 C
1024
+ ATOM 1024 CG2 ILE A 127 -6.676 7.790 9.858 1.00 0.00 C
1025
+ ATOM 1025 CD1 ILE A 127 -5.187 5.630 8.199 1.00 0.00 C
1026
+ ATOM 1026 N ASP A 128 -2.414 9.115 10.450 1.00 0.00 N
1027
+ ATOM 1027 CA ASP A 128 -1.039 8.626 10.481 1.00 0.00 C
1028
+ ATOM 1028 C ASP A 128 -1.000 7.115 10.700 1.00 0.00 C
1029
+ ATOM 1029 CB ASP A 128 -0.241 9.337 11.575 1.00 0.00 C
1030
+ ATOM 1030 O ASP A 128 -1.275 6.635 11.801 1.00 0.00 O
1031
+ ATOM 1031 CG ASP A 128 -0.126 10.834 11.347 1.00 0.00 C
1032
+ ATOM 1032 OD1 ASP A 128 0.069 11.262 10.188 1.00 0.00 O
1033
+ ATOM 1033 OD2 ASP A 128 -0.229 11.593 12.336 1.00 0.00 O
1034
+ ATOM 1034 N LEU A 129 -0.712 6.328 9.597 1.00 0.00 N
1035
+ ATOM 1035 CA LEU A 129 -0.768 4.870 9.612 1.00 0.00 C
1036
+ ATOM 1036 C LEU A 129 0.506 4.284 10.213 1.00 0.00 C
1037
+ ATOM 1037 CB LEU A 129 -0.975 4.326 8.196 1.00 0.00 C
1038
+ ATOM 1038 O LEU A 129 1.608 4.567 9.740 1.00 0.00 O
1039
+ ATOM 1039 CG LEU A 129 -1.137 2.811 8.069 1.00 0.00 C
1040
+ ATOM 1040 CD1 LEU A 129 -2.374 2.344 8.828 1.00 0.00 C
1041
+ ATOM 1041 CD2 LEU A 129 -1.218 2.404 6.601 1.00 0.00 C
1042
+ ATOM 1042 N THR A 130 0.342 3.522 11.223 1.00 0.00 N
1043
+ ATOM 1043 CA THR A 130 1.465 2.887 11.905 1.00 0.00 C
1044
+ ATOM 1044 C THR A 130 1.752 1.512 11.309 1.00 0.00 C
1045
+ ATOM 1045 CB THR A 130 1.194 2.747 13.415 1.00 0.00 C
1046
+ ATOM 1046 O THR A 130 2.900 1.196 10.990 1.00 0.00 O
1047
+ ATOM 1047 CG2 THR A 130 2.392 2.137 14.134 1.00 0.00 C
1048
+ ATOM 1048 OG1 THR A 130 0.927 4.042 13.968 1.00 0.00 O
1049
+ ATOM 1049 N SER A 131 0.779 0.696 11.190 1.00 0.00 N
1050
+ ATOM 1050 CA SER A 131 0.932 -0.632 10.604 1.00 0.00 C
1051
+ ATOM 1051 C SER A 131 -0.375 -1.118 9.985 1.00 0.00 C
1052
+ ATOM 1052 CB SER A 131 1.410 -1.631 11.658 1.00 0.00 C
1053
+ ATOM 1053 O SER A 131 -1.457 -0.691 10.393 1.00 0.00 O
1054
+ ATOM 1054 OG SER A 131 0.381 -1.904 12.595 1.00 0.00 O
1055
+ ATOM 1055 N ALA A 132 -0.262 -1.905 8.998 1.00 0.00 N
1056
+ ATOM 1056 CA ALA A 132 -1.336 -2.696 8.404 1.00 0.00 C
1057
+ ATOM 1057 C ALA A 132 -0.855 -4.103 8.060 1.00 0.00 C
1058
+ ATOM 1058 CB ALA A 132 -1.879 -2.003 7.157 1.00 0.00 C
1059
+ ATOM 1059 O ALA A 132 0.143 -4.269 7.355 1.00 0.00 O
1060
+ ATOM 1060 N SER A 133 -1.568 -5.084 8.596 1.00 0.00 N
1061
+ ATOM 1061 CA SER A 133 -1.165 -6.473 8.393 1.00 0.00 C
1062
+ ATOM 1062 C SER A 133 -2.369 -7.408 8.428 1.00 0.00 C
1063
+ ATOM 1063 CB SER A 133 -0.149 -6.897 9.455 1.00 0.00 C
1064
+ ATOM 1064 O SER A 133 -3.472 -6.996 8.794 1.00 0.00 O
1065
+ ATOM 1065 OG SER A 133 -0.720 -6.835 10.751 1.00 0.00 O
1066
+ ATOM 1066 N TYR A 134 -2.155 -8.631 7.955 1.00 0.00 N
1067
+ ATOM 1067 CA TYR A 134 -3.176 -9.663 8.095 1.00 0.00 C
1068
+ ATOM 1068 C TYR A 134 -2.577 -10.954 8.640 1.00 0.00 C
1069
+ ATOM 1069 CB TYR A 134 -3.859 -9.931 6.751 1.00 0.00 C
1070
+ ATOM 1070 O TYR A 134 -1.382 -11.209 8.473 1.00 0.00 O
1071
+ ATOM 1071 CG TYR A 134 -2.932 -10.496 5.702 1.00 0.00 C
1072
+ ATOM 1072 CD1 TYR A 134 -2.262 -9.659 4.811 1.00 0.00 C
1073
+ ATOM 1073 CD2 TYR A 134 -2.724 -11.867 5.598 1.00 0.00 C
1074
+ ATOM 1074 CE1 TYR A 134 -1.409 -10.175 3.842 1.00 0.00 C
1075
+ ATOM 1075 CE2 TYR A 134 -1.873 -12.395 4.632 1.00 0.00 C
1076
+ ATOM 1076 OH TYR A 134 -0.376 -12.058 2.802 1.00 0.00 O
1077
+ ATOM 1077 CZ TYR A 134 -1.220 -11.541 3.761 1.00 0.00 C
1078
+ ATOM 1078 N THR A 135 -3.344 -11.706 9.312 1.00 0.00 N
1079
+ ATOM 1079 CA THR A 135 -3.013 -13.027 9.834 1.00 0.00 C
1080
+ ATOM 1080 C THR A 135 -4.207 -13.970 9.717 1.00 0.00 C
1081
+ ATOM 1081 CB THR A 135 -2.558 -12.951 11.302 1.00 0.00 C
1082
+ ATOM 1082 O THR A 135 -5.343 -13.523 9.539 1.00 0.00 O
1083
+ ATOM 1083 CG2 THR A 135 -3.717 -12.573 12.218 1.00 0.00 C
1084
+ ATOM 1084 OG1 THR A 135 -2.041 -14.226 11.704 1.00 0.00 O
1085
+ ATOM 1085 N MET A 136 -3.958 -15.274 9.737 1.00 0.00 N
1086
+ ATOM 1086 CA MET A 136 -5.014 -16.274 9.871 1.00 0.00 C
1087
+ ATOM 1087 C MET A 136 -5.306 -16.561 11.340 1.00 0.00 C
1088
+ ATOM 1088 CB MET A 136 -4.625 -17.566 9.152 1.00 0.00 C
1089
+ ATOM 1089 O MET A 136 -4.385 -16.663 12.152 1.00 0.00 O
1090
+ ATOM 1090 CG MET A 136 -4.356 -17.384 7.667 1.00 0.00 C
1091
+ ATOM 1091 SD MET A 136 -5.781 -16.643 6.780 1.00 0.00 S
1092
+ ATOM 1092 CE MET A 136 -7.044 -17.908 7.088 1.00 0.00 C
1093
+ ATOM 1093 N ILE A 137 -6.638 -16.695 11.656 1.00 0.00 N
1094
+ ATOM 1094 CA ILE A 137 -6.966 -17.010 13.043 1.00 0.00 C
1095
+ ATOM 1095 C ILE A 137 -7.820 -18.275 13.097 1.00 0.00 C
1096
+ ATOM 1096 CB ILE A 137 -7.701 -15.836 13.730 1.00 0.00 C
1097
+ ATOM 1097 O ILE A 137 -8.518 -18.602 12.136 1.00 0.00 O
1098
+ ATOM 1098 CG1 ILE A 137 -9.005 -15.517 12.990 1.00 0.00 C
1099
+ ATOM 1099 CG2 ILE A 137 -6.797 -14.603 13.803 1.00 0.00 C
1100
+ ATOM 1100 CD1 ILE A 137 -9.928 -14.569 13.743 1.00 0.00 C
1101
+ ATOM 1101 OXT ILE A 137 -7.355 -18.452 14.203 1.00 0.00 O
1102
+ TER 1102 ILE A 137
1103
+ END
6qge/6qge_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1104 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N LEU A 1 4.088 4.241 7.723 1.00 0.00 N
3
+ ATOM 2 CA LEU A 1 3.653 3.943 6.363 1.00 0.00 C
4
+ ATOM 3 C LEU A 1 3.010 5.167 5.719 1.00 0.00 C
5
+ ATOM 4 CB LEU A 1 2.666 2.774 6.359 1.00 0.00 C
6
+ ATOM 5 O LEU A 1 2.358 5.961 6.399 1.00 0.00 O
7
+ ATOM 6 CG LEU A 1 3.191 1.442 6.899 1.00 0.00 C
8
+ ATOM 7 CD1 LEU A 1 2.045 0.448 7.062 1.00 0.00 C
9
+ ATOM 8 CD2 LEU A 1 4.266 0.879 5.977 1.00 0.00 C
10
+ ATOM 9 N ILE A 2 3.131 5.304 4.515 1.00 0.00 N
11
+ ATOM 10 CA ILE A 2 2.619 6.456 3.782 1.00 0.00 C
12
+ ATOM 11 C ILE A 2 1.188 6.181 3.323 1.00 0.00 C
13
+ ATOM 12 CB ILE A 2 3.513 6.799 2.571 1.00 0.00 C
14
+ ATOM 13 O ILE A 2 0.916 5.150 2.703 1.00 0.00 O
15
+ ATOM 14 CG1 ILE A 2 4.930 7.159 3.037 1.00 0.00 C
16
+ ATOM 15 CG2 ILE A 2 2.901 7.939 1.753 1.00 0.00 C
17
+ ATOM 16 CD1 ILE A 2 5.935 7.313 1.905 1.00 0.00 C
18
+ ATOM 17 N VAL A 3 0.285 7.096 3.517 1.00 0.00 N
19
+ ATOM 18 CA VAL A 3 -1.117 7.015 3.122 1.00 0.00 C
20
+ ATOM 19 C VAL A 3 -1.360 7.892 1.896 1.00 0.00 C
21
+ ATOM 20 CB VAL A 3 -2.056 7.436 4.274 1.00 0.00 C
22
+ ATOM 21 O VAL A 3 -0.871 9.023 1.826 1.00 0.00 O
23
+ ATOM 22 CG1 VAL A 3 -3.513 7.429 3.813 1.00 0.00 C
24
+ ATOM 23 CG2 VAL A 3 -1.870 6.514 5.478 1.00 0.00 C
25
+ ATOM 24 N PRO A 4 -2.014 7.426 1.000 1.00 0.00 N
26
+ ATOM 25 CA PRO A 4 -2.786 6.185 0.908 1.00 0.00 C
27
+ ATOM 26 C PRO A 4 -1.900 4.943 0.828 1.00 0.00 C
28
+ ATOM 27 CB PRO A 4 -3.592 6.364 -0.380 1.00 0.00 C
29
+ ATOM 28 O PRO A 4 -0.797 5.003 0.277 1.00 0.00 O
30
+ ATOM 29 CG PRO A 4 -2.740 7.236 -1.245 1.00 0.00 C
31
+ ATOM 30 CD PRO A 4 -1.989 8.194 -0.365 1.00 0.00 C
32
+ ATOM 31 N TYR A 5 -2.292 3.953 1.399 1.00 0.00 N
33
+ ATOM 32 CA TYR A 5 -1.570 2.688 1.483 1.00 0.00 C
34
+ ATOM 33 C TYR A 5 -2.409 1.543 0.928 1.00 0.00 C
35
+ ATOM 34 CB TYR A 5 -1.173 2.390 2.932 1.00 0.00 C
36
+ ATOM 35 O TYR A 5 -3.622 1.490 1.149 1.00 0.00 O
37
+ ATOM 36 CG TYR A 5 -0.328 1.149 3.087 1.00 0.00 C
38
+ ATOM 37 CD1 TYR A 5 1.030 1.164 2.775 1.00 0.00 C
39
+ ATOM 38 CD2 TYR A 5 -0.885 -0.041 3.543 1.00 0.00 C
40
+ ATOM 39 CE1 TYR A 5 1.813 0.023 2.915 1.00 0.00 C
41
+ ATOM 40 CE2 TYR A 5 -0.112 -1.188 3.686 1.00 0.00 C
42
+ ATOM 41 OH TYR A 5 2.003 -2.280 3.510 1.00 0.00 O
43
+ ATOM 42 CZ TYR A 5 1.234 -1.147 3.371 1.00 0.00 C
44
+ ATOM 43 N ASN A 6 -1.822 0.696 0.252 1.00 0.00 N
45
+ ATOM 44 CA ASN A 6 -2.453 -0.526 -0.235 1.00 0.00 C
46
+ ATOM 45 C ASN A 6 -1.838 -1.768 0.402 1.00 0.00 C
47
+ ATOM 46 CB ASN A 6 -2.357 -0.608 -1.760 1.00 0.00 C
48
+ ATOM 47 O ASN A 6 -0.647 -2.033 0.231 1.00 0.00 O
49
+ ATOM 48 CG ASN A 6 -3.229 0.419 -2.456 1.00 0.00 C
50
+ ATOM 49 ND2 ASN A 6 -2.704 1.018 -3.519 1.00 0.00 N
51
+ ATOM 50 OD1 ASN A 6 -4.362 0.673 -2.041 1.00 0.00 O
52
+ ATOM 51 N LEU A 7 -2.607 -2.450 1.156 1.00 0.00 N
53
+ ATOM 52 CA LEU A 7 -2.194 -3.742 1.693 1.00 0.00 C
54
+ ATOM 53 C LEU A 7 -2.545 -4.870 0.727 1.00 0.00 C
55
+ ATOM 54 CB LEU A 7 -2.855 -3.993 3.051 1.00 0.00 C
56
+ ATOM 55 O LEU A 7 -3.722 -5.155 0.502 1.00 0.00 O
57
+ ATOM 56 CG LEU A 7 -2.515 -5.319 3.735 1.00 0.00 C
58
+ ATOM 57 CD1 LEU A 7 -1.038 -5.357 4.111 1.00 0.00 C
59
+ ATOM 58 CD2 LEU A 7 -3.391 -5.525 4.966 1.00 0.00 C
60
+ ATOM 59 N PRO A 8 -1.480 -5.431 0.099 1.00 0.00 N
61
+ ATOM 60 CA PRO A 8 -1.797 -6.549 -0.793 1.00 0.00 C
62
+ ATOM 61 C PRO A 8 -2.380 -7.749 -0.049 1.00 0.00 C
63
+ ATOM 62 CB PRO A 8 -0.444 -6.898 -1.417 1.00 0.00 C
64
+ ATOM 63 O PRO A 8 -1.946 -8.060 1.063 1.00 0.00 O
65
+ ATOM 64 CG PRO A 8 0.418 -5.707 -1.149 1.00 0.00 C
66
+ ATOM 65 CD PRO A 8 -0.089 -5.019 0.085 1.00 0.00 C
67
+ ATOM 66 N LEU A 9 -3.356 -8.351 -0.526 1.00 0.00 N
68
+ ATOM 67 CA LEU A 9 -3.995 -9.577 -0.061 1.00 0.00 C
69
+ ATOM 68 C LEU A 9 -3.917 -10.667 -1.126 1.00 0.00 C
70
+ ATOM 69 CB LEU A 9 -5.457 -9.313 0.310 1.00 0.00 C
71
+ ATOM 70 O LEU A 9 -4.921 -10.984 -1.769 1.00 0.00 O
72
+ ATOM 71 CG LEU A 9 -5.702 -8.257 1.388 1.00 0.00 C
73
+ ATOM 72 CD1 LEU A 9 -7.168 -7.837 1.396 1.00 0.00 C
74
+ ATOM 73 CD2 LEU A 9 -5.284 -8.782 2.757 1.00 0.00 C
75
+ ATOM 74 N PRO A 10 -2.588 -11.243 -1.233 1.00 0.00 N
76
+ ATOM 75 CA PRO A 10 -2.404 -12.251 -2.279 1.00 0.00 C
77
+ ATOM 76 C PRO A 10 -3.278 -13.486 -2.068 1.00 0.00 C
78
+ ATOM 77 CB PRO A 10 -0.919 -12.609 -2.167 1.00 0.00 C
79
+ ATOM 78 O PRO A 10 -3.352 -14.012 -0.954 1.00 0.00 O
80
+ ATOM 79 CG PRO A 10 -0.553 -12.279 -0.756 1.00 0.00 C
81
+ ATOM 80 CD PRO A 10 -1.444 -11.169 -0.278 1.00 0.00 C
82
+ ATOM 81 N GLY A 11 -4.172 -13.848 -3.058 1.00 0.00 N
83
+ ATOM 82 CA GLY A 11 -5.113 -14.954 -2.982 1.00 0.00 C
84
+ ATOM 83 C GLY A 11 -6.495 -14.532 -2.520 1.00 0.00 C
85
+ ATOM 84 O GLY A 11 -7.387 -15.369 -2.368 1.00 0.00 O
86
+ ATOM 85 N GLY A 12 -6.600 -13.227 -2.187 1.00 0.00 N
87
+ ATOM 86 CA GLY A 12 -7.902 -12.738 -1.762 1.00 0.00 C
88
+ ATOM 87 C GLY A 12 -8.150 -12.911 -0.276 1.00 0.00 C
89
+ ATOM 88 O GLY A 12 -7.271 -13.370 0.456 1.00 0.00 O
90
+ ATOM 89 N VAL A 13 -9.273 -12.437 0.145 1.00 0.00 N
91
+ ATOM 90 CA VAL A 13 -9.604 -12.651 1.551 1.00 0.00 C
92
+ ATOM 91 C VAL A 13 -10.307 -13.996 1.718 1.00 0.00 C
93
+ ATOM 92 CB VAL A 13 -10.491 -11.513 2.104 1.00 0.00 C
94
+ ATOM 93 O VAL A 13 -10.968 -14.477 0.794 1.00 0.00 O
95
+ ATOM 94 CG1 VAL A 13 -9.768 -10.171 2.011 1.00 0.00 C
96
+ ATOM 95 CG2 VAL A 13 -11.821 -11.460 1.353 1.00 0.00 C
97
+ ATOM 96 N VAL A 14 -10.137 -14.597 2.863 1.00 0.00 N
98
+ ATOM 97 CA VAL A 14 -10.747 -15.885 3.180 1.00 0.00 C
99
+ ATOM 98 C VAL A 14 -11.276 -15.869 4.612 1.00 0.00 C
100
+ ATOM 99 CB VAL A 14 -9.744 -17.048 2.995 1.00 0.00 C
101
+ ATOM 100 O VAL A 14 -10.800 -15.097 5.448 1.00 0.00 O
102
+ ATOM 101 CG1 VAL A 14 -9.323 -17.169 1.532 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 14 -8.524 -16.847 3.891 1.00 0.00 C
104
+ ATOM 103 N PRO A 15 -12.311 -16.708 4.844 1.00 0.00 N
105
+ ATOM 104 CA PRO A 15 -12.794 -16.796 6.224 1.00 0.00 C
106
+ ATOM 105 C PRO A 15 -11.678 -17.098 7.222 1.00 0.00 C
107
+ ATOM 106 CB PRO A 15 -13.805 -17.945 6.171 1.00 0.00 C
108
+ ATOM 107 O PRO A 15 -10.770 -17.877 6.920 1.00 0.00 O
109
+ ATOM 108 CG PRO A 15 -14.343 -17.915 4.777 1.00 0.00 C
110
+ ATOM 109 CD PRO A 15 -13.225 -17.560 3.841 1.00 0.00 C
111
+ ATOM 110 N ARG A 16 -11.757 -16.380 8.375 1.00 0.00 N
112
+ ATOM 111 CA ARG A 16 -10.868 -16.502 9.525 1.00 0.00 C
113
+ ATOM 112 C ARG A 16 -9.626 -15.634 9.352 1.00 0.00 C
114
+ ATOM 113 CB ARG A 16 -10.461 -17.962 9.738 1.00 0.00 C
115
+ ATOM 114 O ARG A 16 -8.717 -15.669 10.184 1.00 0.00 O
116
+ ATOM 115 CG ARG A 16 -11.625 -18.885 10.065 1.00 0.00 C
117
+ ATOM 116 CD ARG A 16 -11.157 -20.307 10.340 1.00 0.00 C
118
+ ATOM 117 NE ARG A 16 -10.307 -20.376 11.524 1.00 0.00 N
119
+ ATOM 118 NH1 ARG A 16 -9.196 -22.292 10.868 1.00 0.00 N
120
+ ATOM 119 NH2 ARG A 16 -8.675 -21.284 12.860 1.00 0.00 N
121
+ ATOM 120 CZ ARG A 16 -9.394 -21.317 11.748 1.00 0.00 C
122
+ ATOM 121 N MET A 17 -9.620 -14.941 8.262 1.00 0.00 N
123
+ ATOM 122 CA MET A 17 -8.589 -13.918 8.101 1.00 0.00 C
124
+ ATOM 123 C MET A 17 -8.885 -12.706 8.978 1.00 0.00 C
125
+ ATOM 124 CB MET A 17 -8.480 -13.491 6.636 1.00 0.00 C
126
+ ATOM 125 O MET A 17 -9.977 -12.138 8.911 1.00 0.00 O
127
+ ATOM 126 CG MET A 17 -7.389 -12.463 6.378 1.00 0.00 C
128
+ ATOM 127 SD MET A 17 -7.305 -11.956 4.617 1.00 0.00 S
129
+ ATOM 128 CE MET A 17 -6.313 -13.317 3.940 1.00 0.00 C
130
+ ATOM 129 N LEU A 18 -7.921 -12.350 9.851 1.00 0.00 N
131
+ ATOM 130 CA LEU A 18 -8.024 -11.155 10.682 1.00 0.00 C
132
+ ATOM 131 C LEU A 18 -7.065 -10.073 10.198 1.00 0.00 C
133
+ ATOM 132 CB LEU A 18 -7.732 -11.494 12.147 1.00 0.00 C
134
+ ATOM 133 O LEU A 18 -5.846 -10.254 10.236 1.00 0.00 O
135
+ ATOM 134 CG LEU A 18 -7.807 -10.333 13.139 1.00 0.00 C
136
+ ATOM 135 CD1 LEU A 18 -9.240 -9.825 13.253 1.00 0.00 C
137
+ ATOM 136 CD2 LEU A 18 -7.275 -10.760 14.503 1.00 0.00 C
138
+ ATOM 137 N ILE A 19 -7.601 -8.956 9.710 1.00 0.00 N
139
+ ATOM 138 CA ILE A 19 -6.834 -7.778 9.320 1.00 0.00 C
140
+ ATOM 139 C ILE A 19 -6.766 -6.797 10.488 1.00 0.00 C
141
+ ATOM 140 CB ILE A 19 -7.447 -7.090 8.079 1.00 0.00 C
142
+ ATOM 141 O ILE A 19 -7.777 -6.530 11.143 1.00 0.00 O
143
+ ATOM 142 CG1 ILE A 19 -7.480 -8.062 6.894 1.00 0.00 C
144
+ ATOM 143 CG2 ILE A 19 -6.667 -5.821 7.724 1.00 0.00 C
145
+ ATOM 144 CD1 ILE A 19 -8.792 -8.821 6.752 1.00 0.00 C
146
+ ATOM 145 N THR A 20 -5.585 -6.267 10.779 1.00 0.00 N
147
+ ATOM 146 CA THR A 20 -5.371 -5.310 11.860 1.00 0.00 C
148
+ ATOM 147 C THR A 20 -4.674 -4.056 11.340 1.00 0.00 C
149
+ ATOM 148 CB THR A 20 -4.537 -5.928 12.997 1.00 0.00 C
150
+ ATOM 149 O THR A 20 -3.640 -4.144 10.673 1.00 0.00 O
151
+ ATOM 150 CG2 THR A 20 -4.378 -4.950 14.156 1.00 0.00 C
152
+ ATOM 151 OG1 THR A 20 -5.193 -7.111 13.472 1.00 0.00 O
153
+ ATOM 152 N ILE A 21 -5.231 -2.934 11.619 1.00 0.00 N
154
+ ATOM 153 CA ILE A 21 -4.726 -1.625 11.219 1.00 0.00 C
155
+ ATOM 154 C ILE A 21 -4.505 -0.758 12.455 1.00 0.00 C
156
+ ATOM 155 CB ILE A 21 -5.690 -0.924 10.237 1.00 0.00 C
157
+ ATOM 156 O ILE A 21 -5.435 -0.523 13.232 1.00 0.00 O
158
+ ATOM 157 CG1 ILE A 21 -5.942 -1.810 9.012 1.00 0.00 C
159
+ ATOM 158 CG2 ILE A 21 -5.137 0.443 9.821 1.00 0.00 C
160
+ ATOM 159 CD1 ILE A 21 -7.191 -1.436 8.225 1.00 0.00 C
161
+ ATOM 160 N LEU A 22 -3.307 -0.294 12.638 1.00 0.00 N
162
+ ATOM 161 CA LEU A 22 -2.944 0.616 13.719 1.00 0.00 C
163
+ ATOM 162 C LEU A 22 -2.541 1.980 13.169 1.00 0.00 C
164
+ ATOM 163 CB LEU A 22 -1.802 0.031 14.553 1.00 0.00 C
165
+ ATOM 164 O LEU A 22 -1.766 2.064 12.214 1.00 0.00 O
166
+ ATOM 165 CG LEU A 22 -2.059 -1.335 15.191 1.00 0.00 C
167
+ ATOM 166 CD1 LEU A 22 -0.800 -1.839 15.889 1.00 0.00 C
168
+ ATOM 167 CD2 LEU A 22 -3.224 -1.256 16.172 1.00 0.00 C
169
+ ATOM 168 N GLY A 23 -3.048 3.014 13.761 1.00 0.00 N
170
+ ATOM 169 CA GLY A 23 -2.707 4.371 13.361 1.00 0.00 C
171
+ ATOM 170 C GLY A 23 -3.174 5.420 14.354 1.00 0.00 C
172
+ ATOM 171 O GLY A 23 -3.570 5.090 15.473 1.00 0.00 O
173
+ ATOM 172 N THR A 24 -3.029 6.649 13.963 1.00 0.00 N
174
+ ATOM 173 CA THR A 24 -3.483 7.823 14.699 1.00 0.00 C
175
+ ATOM 174 C THR A 24 -4.287 8.752 13.794 1.00 0.00 C
176
+ ATOM 175 CB THR A 24 -2.298 8.595 15.307 1.00 0.00 C
177
+ ATOM 176 O THR A 24 -3.898 9.004 12.652 1.00 0.00 O
178
+ ATOM 177 CG2 THR A 24 -2.780 9.762 16.163 1.00 0.00 C
179
+ ATOM 178 OG1 THR A 24 -1.524 7.707 16.122 1.00 0.00 O
180
+ ATOM 179 N VAL A 25 -5.404 9.169 14.302 1.00 0.00 N
181
+ ATOM 180 CA VAL A 25 -6.195 10.139 13.550 1.00 0.00 C
182
+ ATOM 181 C VAL A 25 -5.503 11.500 13.573 1.00 0.00 C
183
+ ATOM 182 CB VAL A 25 -7.628 10.260 14.115 1.00 0.00 C
184
+ ATOM 183 O VAL A 25 -5.061 11.960 14.628 1.00 0.00 O
185
+ ATOM 184 CG1 VAL A 25 -8.455 11.238 13.282 1.00 0.00 C
186
+ ATOM 185 CG2 VAL A 25 -8.301 8.889 14.159 1.00 0.00 C
187
+ ATOM 186 N LYS A 26 -5.385 12.126 12.396 1.00 0.00 N
188
+ ATOM 187 CA LYS A 26 -4.801 13.463 12.331 1.00 0.00 C
189
+ ATOM 188 C LYS A 26 -5.709 14.494 12.995 1.00 0.00 C
190
+ ATOM 189 CB LYS A 26 -4.530 13.860 10.880 1.00 0.00 C
191
+ ATOM 190 O LYS A 26 -6.921 14.289 13.092 1.00 0.00 O
192
+ ATOM 191 CG LYS A 26 -3.420 13.060 10.214 1.00 0.00 C
193
+ ATOM 192 CD LYS A 26 -3.185 13.514 8.780 1.00 0.00 C
194
+ ATOM 193 CE LYS A 26 -2.031 12.759 8.135 1.00 0.00 C
195
+ ATOM 194 NZ LYS A 26 -1.868 13.121 6.695 1.00 0.00 N
196
+ ATOM 195 N PRO A 27 -5.004 15.632 13.353 1.00 0.00 N
197
+ ATOM 196 CA PRO A 27 -5.851 16.729 13.824 1.00 0.00 C
198
+ ATOM 197 C PRO A 27 -6.748 17.295 12.726 1.00 0.00 C
199
+ ATOM 198 CB PRO A 27 -4.840 17.777 14.297 1.00 0.00 C
200
+ ATOM 199 O PRO A 27 -6.358 17.319 11.556 1.00 0.00 O
201
+ ATOM 200 CG PRO A 27 -3.548 17.035 14.417 1.00 0.00 C
202
+ ATOM 201 CD PRO A 27 -3.570 15.882 13.455 1.00 0.00 C
203
+ ATOM 202 N ASN A 28 -7.974 17.524 12.924 1.00 0.00 N
204
+ ATOM 203 CA ASN A 28 -8.957 18.088 12.005 1.00 0.00 C
205
+ ATOM 204 C ASN A 28 -9.329 17.098 10.905 1.00 0.00 C
206
+ ATOM 205 CB ASN A 28 -8.436 19.391 11.394 1.00 0.00 C
207
+ ATOM 206 O ASN A 28 -9.459 17.479 9.740 1.00 0.00 O
208
+ ATOM 207 CG ASN A 28 -8.075 20.425 12.442 1.00 0.00 C
209
+ ATOM 208 ND2 ASN A 28 -6.928 21.071 12.267 1.00 0.00 N
210
+ ATOM 209 OD1 ASN A 28 -8.819 20.639 13.403 1.00 0.00 O
211
+ ATOM 210 N ALA A 29 -9.388 15.899 11.285 1.00 0.00 N
212
+ ATOM 211 CA ALA A 29 -9.716 14.829 10.347 1.00 0.00 C
213
+ ATOM 212 C ALA A 29 -11.119 15.014 9.773 1.00 0.00 C
214
+ ATOM 213 CB ALA A 29 -9.599 13.469 11.029 1.00 0.00 C
215
+ ATOM 214 O ALA A 29 -12.018 15.501 10.462 1.00 0.00 O
216
+ ATOM 215 N ASN A 30 -11.238 14.706 8.520 1.00 0.00 N
217
+ ATOM 216 CA ASN A 30 -12.520 14.713 7.822 1.00 0.00 C
218
+ ATOM 217 C ASN A 30 -13.032 13.296 7.576 1.00 0.00 C
219
+ ATOM 218 CB ASN A 30 -12.407 15.474 6.500 1.00 0.00 C
220
+ ATOM 219 O ASN A 30 -14.218 13.020 7.757 1.00 0.00 O
221
+ ATOM 220 CG ASN A 30 -13.757 15.734 5.858 1.00 0.00 C
222
+ ATOM 221 ND2 ASN A 30 -13.804 15.673 4.533 1.00 0.00 N
223
+ ATOM 222 OD1 ASN A 30 -14.747 15.986 6.549 1.00 0.00 O
224
+ ATOM 223 N ARG A 31 -12.165 12.424 7.234 1.00 0.00 N
225
+ ATOM 224 CA ARG A 31 -12.622 11.067 6.950 1.00 0.00 C
226
+ ATOM 225 C ARG A 31 -11.469 10.074 7.024 1.00 0.00 C
227
+ ATOM 226 CB ARG A 31 -13.285 11.001 5.572 1.00 0.00 C
228
+ ATOM 227 O ARG A 31 -10.305 10.452 6.871 1.00 0.00 O
229
+ ATOM 228 CG ARG A 31 -12.338 11.296 4.419 1.00 0.00 C
230
+ ATOM 229 CD ARG A 31 -13.061 11.281 3.079 1.00 0.00 C
231
+ ATOM 230 NE ARG A 31 -13.885 12.473 2.898 1.00 0.00 N
232
+ ATOM 231 NH1 ARG A 31 -14.809 11.782 0.896 1.00 0.00 N
233
+ ATOM 232 NH2 ARG A 31 -15.399 13.805 1.799 1.00 0.00 N
234
+ ATOM 233 CZ ARG A 31 -14.696 12.684 1.865 1.00 0.00 C
235
+ ATOM 234 N ILE A 32 -11.750 8.838 7.278 1.00 0.00 N
236
+ ATOM 235 CA ILE A 32 -10.951 7.629 7.107 1.00 0.00 C
237
+ ATOM 236 C ILE A 32 -11.643 6.687 6.125 1.00 0.00 C
238
+ ATOM 237 CB ILE A 32 -10.711 6.914 8.456 1.00 0.00 C
239
+ ATOM 238 O ILE A 32 -12.873 6.606 6.094 1.00 0.00 O
240
+ ATOM 239 CG1 ILE A 32 -10.113 7.889 9.478 1.00 0.00 C
241
+ ATOM 240 CG2 ILE A 32 -9.805 5.695 8.268 1.00 0.00 C
242
+ ATOM 241 CD1 ILE A 32 -10.124 7.370 10.909 1.00 0.00 C
243
+ ATOM 242 N ALA A 33 -10.872 5.970 5.297 1.00 0.00 N
244
+ ATOM 243 CA ALA A 33 -11.497 5.041 4.360 1.00 0.00 C
245
+ ATOM 244 C ALA A 33 -10.687 3.752 4.243 1.00 0.00 C
246
+ ATOM 245 CB ALA A 33 -11.653 5.692 2.988 1.00 0.00 C
247
+ ATOM 246 O ALA A 33 -9.474 3.791 4.024 1.00 0.00 O
248
+ ATOM 247 N LEU A 34 -11.316 2.670 4.424 1.00 0.00 N
249
+ ATOM 248 CA LEU A 34 -10.836 1.330 4.101 1.00 0.00 C
250
+ ATOM 249 C LEU A 34 -11.661 0.714 2.975 1.00 0.00 C
251
+ ATOM 250 CB LEU A 34 -10.887 0.430 5.338 1.00 0.00 C
252
+ ATOM 251 O LEU A 34 -12.888 0.635 3.071 1.00 0.00 O
253
+ ATOM 252 CG LEU A 34 -10.177 0.955 6.588 1.00 0.00 C
254
+ ATOM 253 CD1 LEU A 34 -10.260 -0.071 7.714 1.00 0.00 C
255
+ ATOM 254 CD2 LEU A 34 -8.724 1.295 6.274 1.00 0.00 C
256
+ ATOM 255 N ASP A 35 -10.936 0.281 1.936 1.00 0.00 N
257
+ ATOM 256 CA ASP A 35 -11.601 -0.297 0.773 1.00 0.00 C
258
+ ATOM 257 C ASP A 35 -11.059 -1.692 0.468 1.00 0.00 C
259
+ ATOM 258 CB ASP A 35 -11.433 0.610 -0.447 1.00 0.00 C
260
+ ATOM 259 O ASP A 35 -9.903 -1.841 0.067 1.00 0.00 O
261
+ ATOM 260 CG ASP A 35 -12.262 1.880 -0.361 1.00 0.00 C
262
+ ATOM 261 OD1 ASP A 35 -13.279 1.895 0.367 1.00 0.00 O
263
+ ATOM 262 OD2 ASP A 35 -11.897 2.872 -1.027 1.00 0.00 O
264
+ ATOM 263 N PHE A 36 -11.887 -2.686 0.722 1.00 0.00 N
265
+ ATOM 264 CA PHE A 36 -11.590 -4.026 0.231 1.00 0.00 C
266
+ ATOM 265 C PHE A 36 -11.917 -4.146 -1.252 1.00 0.00 C
267
+ ATOM 266 CB PHE A 36 -12.371 -5.078 1.027 1.00 0.00 C
268
+ ATOM 267 O PHE A 36 -13.088 -4.111 -1.640 1.00 0.00 O
269
+ ATOM 268 CG PHE A 36 -11.881 -5.256 2.439 1.00 0.00 C
270
+ ATOM 269 CD1 PHE A 36 -11.063 -6.327 2.776 1.00 0.00 C
271
+ ATOM 270 CD2 PHE A 36 -12.241 -4.352 3.431 1.00 0.00 C
272
+ ATOM 271 CE1 PHE A 36 -10.608 -6.495 4.082 1.00 0.00 C
273
+ ATOM 272 CE2 PHE A 36 -11.790 -4.513 4.738 1.00 0.00 C
274
+ ATOM 273 CZ PHE A 36 -10.976 -5.586 5.062 1.00 0.00 C
275
+ ATOM 274 N GLN A 37 -10.914 -4.344 -2.051 1.00 0.00 N
276
+ ATOM 275 CA GLN A 37 -11.084 -4.087 -3.478 1.00 0.00 C
277
+ ATOM 276 C GLN A 37 -10.934 -5.370 -4.289 1.00 0.00 C
278
+ ATOM 277 CB GLN A 37 -10.078 -3.040 -3.960 1.00 0.00 C
279
+ ATOM 278 O GLN A 37 -10.046 -6.182 -4.020 1.00 0.00 O
280
+ ATOM 279 CG GLN A 37 -10.299 -1.657 -3.364 1.00 0.00 C
281
+ ATOM 280 CD GLN A 37 -9.314 -0.628 -3.887 1.00 0.00 C
282
+ ATOM 281 NE2 GLN A 37 -9.210 0.500 -3.195 1.00 0.00 N
283
+ ATOM 282 OE1 GLN A 37 -8.649 -0.848 -4.905 1.00 0.00 O
284
+ ATOM 283 N ARG A 38 -11.750 -5.496 -5.187 1.00 0.00 N
285
+ ATOM 284 CA ARG A 38 -11.721 -6.483 -6.262 1.00 0.00 C
286
+ ATOM 285 C ARG A 38 -11.634 -5.805 -7.625 1.00 0.00 C
287
+ ATOM 286 CB ARG A 38 -12.960 -7.380 -6.200 1.00 0.00 C
288
+ ATOM 287 O ARG A 38 -12.645 -5.344 -8.161 1.00 0.00 O
289
+ ATOM 288 CG ARG A 38 -12.964 -8.494 -7.236 1.00 0.00 C
290
+ ATOM 289 CD ARG A 38 -14.334 -9.150 -7.351 1.00 0.00 C
291
+ ATOM 290 NE ARG A 38 -15.276 -8.305 -8.079 1.00 0.00 N
292
+ ATOM 291 NH1 ARG A 38 -17.135 -9.574 -7.556 1.00 0.00 N
293
+ ATOM 292 NH2 ARG A 38 -17.351 -7.692 -8.847 1.00 0.00 N
294
+ ATOM 293 CZ ARG A 38 -16.585 -8.526 -8.159 1.00 0.00 C
295
+ ATOM 294 N GLY A 39 -10.457 -5.823 -8.247 1.00 0.00 N
296
+ ATOM 295 CA GLY A 39 -10.295 -4.973 -9.416 1.00 0.00 C
297
+ ATOM 296 C GLY A 39 -10.742 -3.542 -9.180 1.00 0.00 C
298
+ ATOM 297 O GLY A 39 -10.279 -2.889 -8.243 1.00 0.00 O
299
+ ATOM 298 N ASN A 40 -11.680 -3.081 -9.972 1.00 0.00 N
300
+ ATOM 299 CA ASN A 40 -12.179 -1.713 -9.883 1.00 0.00 C
301
+ ATOM 300 C ASN A 40 -13.353 -1.606 -8.915 1.00 0.00 C
302
+ ATOM 301 CB ASN A 40 -12.585 -1.199 -11.267 1.00 0.00 C
303
+ ATOM 302 O ASN A 40 -13.819 -0.504 -8.616 1.00 0.00 O
304
+ ATOM 303 CG ASN A 40 -11.393 -0.960 -12.173 1.00 0.00 C
305
+ ATOM 304 ND2 ASN A 40 -11.609 -1.069 -13.479 1.00 0.00 N
306
+ ATOM 305 OD1 ASN A 40 -10.286 -0.680 -11.703 1.00 0.00 O
307
+ ATOM 306 N ASP A 41 -13.807 -2.733 -8.460 1.00 0.00 N
308
+ ATOM 307 CA ASP A 41 -14.929 -2.757 -7.527 1.00 0.00 C
309
+ ATOM 308 C ASP A 41 -14.446 -2.605 -6.086 1.00 0.00 C
310
+ ATOM 309 CB ASP A 41 -15.727 -4.053 -7.680 1.00 0.00 C
311
+ ATOM 310 O ASP A 41 -13.281 -2.872 -5.784 1.00 0.00 O
312
+ ATOM 311 CG ASP A 41 -16.442 -4.154 -9.016 1.00 0.00 C
313
+ ATOM 312 OD1 ASP A 41 -16.680 -3.110 -9.661 1.00 0.00 O
314
+ ATOM 313 OD2 ASP A 41 -16.774 -5.287 -9.427 1.00 0.00 O
315
+ ATOM 314 N VAL A 42 -15.271 -2.166 -5.240 1.00 0.00 N
316
+ ATOM 315 CA VAL A 42 -15.069 -2.128 -3.795 1.00 0.00 C
317
+ ATOM 316 C VAL A 42 -16.067 -3.057 -3.109 1.00 0.00 C
318
+ ATOM 317 CB VAL A 42 -15.205 -0.693 -3.240 1.00 0.00 C
319
+ ATOM 318 O VAL A 42 -17.269 -2.780 -3.089 1.00 0.00 O
320
+ ATOM 319 CG1 VAL A 42 -14.998 -0.677 -1.727 1.00 0.00 C
321
+ ATOM 320 CG2 VAL A 42 -14.213 0.242 -3.929 1.00 0.00 C
322
+ ATOM 321 N ALA A 43 -15.552 -4.172 -2.555 1.00 0.00 N
323
+ ATOM 322 CA ALA A 43 -16.402 -5.175 -1.917 1.00 0.00 C
324
+ ATOM 323 C ALA A 43 -16.914 -4.682 -0.568 1.00 0.00 C
325
+ ATOM 324 CB ALA A 43 -15.640 -6.487 -1.747 1.00 0.00 C
326
+ ATOM 325 O ALA A 43 -18.032 -5.013 -0.162 1.00 0.00 O
327
+ ATOM 326 N PHE A 44 -16.137 -3.971 0.116 1.00 0.00 N
328
+ ATOM 327 CA PHE A 44 -16.485 -3.389 1.406 1.00 0.00 C
329
+ ATOM 328 C PHE A 44 -15.785 -2.049 1.603 1.00 0.00 C
330
+ ATOM 329 CB PHE A 44 -16.119 -4.346 2.545 1.00 0.00 C
331
+ ATOM 330 O PHE A 44 -14.555 -1.987 1.647 1.00 0.00 O
332
+ ATOM 331 CG PHE A 44 -16.379 -3.784 3.916 1.00 0.00 C
333
+ ATOM 332 CD1 PHE A 44 -17.418 -2.886 4.130 1.00 0.00 C
334
+ ATOM 333 CD2 PHE A 44 -15.586 -4.156 4.994 1.00 0.00 C
335
+ ATOM 334 CE1 PHE A 44 -17.662 -2.365 5.398 1.00 0.00 C
336
+ ATOM 335 CE2 PHE A 44 -15.824 -3.640 6.265 1.00 0.00 C
337
+ ATOM 336 CZ PHE A 44 -16.861 -2.744 6.465 1.00 0.00 C
338
+ ATOM 337 N HIS A 45 -16.655 -1.069 1.657 1.00 0.00 N
339
+ ATOM 338 CA HIS A 45 -16.226 0.285 1.989 1.00 0.00 C
340
+ ATOM 339 C HIS A 45 -16.565 0.632 3.434 1.00 0.00 C
341
+ ATOM 340 CB HIS A 45 -16.871 1.298 1.040 1.00 0.00 C
342
+ ATOM 341 O HIS A 45 -17.740 0.676 3.808 1.00 0.00 O
343
+ ATOM 342 CG HIS A 45 -16.526 2.719 1.355 1.00 0.00 C
344
+ ATOM 343 CD2 HIS A 45 -17.249 3.700 1.945 1.00 0.00 C
345
+ ATOM 344 ND1 HIS A 45 -15.301 3.271 1.050 1.00 0.00 N
346
+ ATOM 345 CE1 HIS A 45 -15.285 4.535 1.441 1.00 0.00 C
347
+ ATOM 346 NE2 HIS A 45 -16.455 4.819 1.987 1.00 0.00 N
348
+ ATOM 347 N PHE A 46 -15.575 0.865 4.248 1.00 0.00 N
349
+ ATOM 348 CA PHE A 46 -15.680 1.341 5.622 1.00 0.00 C
350
+ ATOM 349 C PHE A 46 -15.171 2.772 5.739 1.00 0.00 C
351
+ ATOM 350 CB PHE A 46 -14.900 0.426 6.571 1.00 0.00 C
352
+ ATOM 351 O PHE A 46 -13.972 3.023 5.599 1.00 0.00 O
353
+ ATOM 352 CG PHE A 46 -14.912 0.886 8.004 1.00 0.00 C
354
+ ATOM 353 CD1 PHE A 46 -15.997 0.614 8.827 1.00 0.00 C
355
+ ATOM 354 CD2 PHE A 46 -13.836 1.592 8.528 1.00 0.00 C
356
+ ATOM 355 CE1 PHE A 46 -16.011 1.039 10.154 1.00 0.00 C
357
+ ATOM 356 CE2 PHE A 46 -13.842 2.021 9.852 1.00 0.00 C
358
+ ATOM 357 CZ PHE A 46 -14.930 1.743 10.663 1.00 0.00 C
359
+ ATOM 358 N ASN A 47 -16.080 3.661 6.021 1.00 0.00 N
360
+ ATOM 359 CA ASN A 47 -15.764 5.074 5.842 1.00 0.00 C
361
+ ATOM 360 C ASN A 47 -16.231 5.908 7.033 1.00 0.00 C
362
+ ATOM 361 CB ASN A 47 -16.382 5.605 4.547 1.00 0.00 C
363
+ ATOM 362 O ASN A 47 -17.306 6.509 6.991 1.00 0.00 O
364
+ ATOM 363 CG ASN A 47 -15.951 7.024 4.232 1.00 0.00 C
365
+ ATOM 364 ND2 ASN A 47 -14.763 7.398 4.692 1.00 0.00 N
366
+ ATOM 365 OD1 ASN A 47 -16.680 7.776 3.582 1.00 0.00 O
367
+ ATOM 366 N PRO A 48 -15.401 6.028 8.142 1.00 0.00 N
368
+ ATOM 367 CA PRO A 48 -15.677 7.003 9.200 1.00 0.00 C
369
+ ATOM 368 C PRO A 48 -15.594 8.446 8.709 1.00 0.00 C
370
+ ATOM 369 CB PRO A 48 -14.589 6.715 10.237 1.00 0.00 C
371
+ ATOM 370 O PRO A 48 -14.566 8.859 8.166 1.00 0.00 O
372
+ ATOM 371 CG PRO A 48 -14.114 5.333 9.921 1.00 0.00 C
373
+ ATOM 372 CD PRO A 48 -14.171 5.139 8.432 1.00 0.00 C
374
+ ATOM 373 N ARG A 49 -16.637 9.112 8.864 1.00 0.00 N
375
+ ATOM 374 CA ARG A 49 -16.766 10.517 8.491 1.00 0.00 C
376
+ ATOM 375 C ARG A 49 -16.954 11.397 9.723 1.00 0.00 C
377
+ ATOM 376 CB ARG A 49 -17.936 10.712 7.524 1.00 0.00 C
378
+ ATOM 377 O ARG A 49 -17.935 11.246 10.455 1.00 0.00 O
379
+ ATOM 378 CG ARG A 49 -17.841 9.867 6.264 1.00 0.00 C
380
+ ATOM 379 CD ARG A 49 -19.047 10.070 5.357 1.00 0.00 C
381
+ ATOM 380 NE ARG A 49 -18.996 9.195 4.189 1.00 0.00 N
382
+ ATOM 381 NH1 ARG A 49 -21.112 9.734 3.435 1.00 0.00 N
383
+ ATOM 382 NH2 ARG A 49 -19.827 8.232 2.277 1.00 0.00 N
384
+ ATOM 383 CZ ARG A 49 -19.979 9.055 3.303 1.00 0.00 C
385
+ ATOM 384 N PHE A 50 -16.088 12.343 9.869 1.00 0.00 N
386
+ ATOM 385 CA PHE A 50 -16.036 13.131 11.094 1.00 0.00 C
387
+ ATOM 386 C PHE A 50 -16.983 14.323 11.012 1.00 0.00 C
388
+ ATOM 387 CB PHE A 50 -14.608 13.614 11.364 1.00 0.00 C
389
+ ATOM 388 O PHE A 50 -17.374 14.885 12.038 1.00 0.00 O
390
+ ATOM 389 CG PHE A 50 -13.657 12.512 11.749 1.00 0.00 C
391
+ ATOM 390 CD1 PHE A 50 -13.195 12.398 13.054 1.00 0.00 C
392
+ ATOM 391 CD2 PHE A 50 -13.226 11.590 10.805 1.00 0.00 C
393
+ ATOM 392 CE1 PHE A 50 -12.315 11.380 13.413 1.00 0.00 C
394
+ ATOM 393 CE2 PHE A 50 -12.348 10.569 11.156 1.00 0.00 C
395
+ ATOM 394 CZ PHE A 50 -11.892 10.466 12.461 1.00 0.00 C
396
+ ATOM 395 N ASN A 51 -17.342 14.701 9.827 1.00 0.00 N
397
+ ATOM 396 CA ASN A 51 -18.229 15.849 9.659 1.00 0.00 C
398
+ ATOM 397 C ASN A 51 -19.119 15.693 8.430 1.00 0.00 C
399
+ ATOM 398 CB ASN A 51 -17.419 17.144 9.569 1.00 0.00 C
400
+ ATOM 399 O ASN A 51 -18.805 16.219 7.361 1.00 0.00 O
401
+ ATOM 400 CG ASN A 51 -18.285 18.382 9.680 1.00 0.00 C
402
+ ATOM 401 ND2 ASN A 51 -17.694 19.544 9.426 1.00 0.00 N
403
+ ATOM 402 OD1 ASN A 51 -19.476 18.297 9.990 1.00 0.00 O
404
+ ATOM 403 N GLU A 52 -20.074 14.763 8.521 1.00 0.00 N
405
+ ATOM 404 CA GLU A 52 -21.116 14.697 7.500 1.00 0.00 C
406
+ ATOM 405 C GLU A 52 -22.378 15.430 7.951 1.00 0.00 C
407
+ ATOM 406 CB GLU A 52 -21.447 13.242 7.161 1.00 0.00 C
408
+ ATOM 407 O GLU A 52 -23.104 14.948 8.822 1.00 0.00 O
409
+ ATOM 408 CG GLU A 52 -22.480 13.087 6.055 1.00 0.00 C
410
+ ATOM 409 CD GLU A 52 -22.790 11.636 5.722 1.00 0.00 C
411
+ ATOM 410 OE1 GLU A 52 -22.182 11.089 4.773 1.00 0.00 O
412
+ ATOM 411 OE2 GLU A 52 -23.646 11.042 6.414 1.00 0.00 O
413
+ ATOM 412 N ASN A 53 -22.759 16.469 7.294 1.00 0.00 N
414
+ ATOM 413 CA ASN A 53 -23.900 17.275 7.714 1.00 0.00 C
415
+ ATOM 414 C ASN A 53 -23.881 17.531 9.219 1.00 0.00 C
416
+ ATOM 415 CB ASN A 53 -25.212 16.600 7.307 1.00 0.00 C
417
+ ATOM 416 O ASN A 53 -24.888 17.328 9.900 1.00 0.00 O
418
+ ATOM 417 CG ASN A 53 -25.343 16.438 5.806 1.00 0.00 C
419
+ ATOM 418 ND2 ASN A 53 -25.919 15.321 5.378 1.00 0.00 N
420
+ ATOM 419 OD1 ASN A 53 -24.931 17.311 5.037 1.00 0.00 O
421
+ ATOM 420 N ASN A 54 -22.791 17.809 9.806 1.00 0.00 N
422
+ ATOM 421 CA ASN A 54 -22.557 18.179 11.198 1.00 0.00 C
423
+ ATOM 422 C ASN A 54 -22.718 16.982 12.131 1.00 0.00 C
424
+ ATOM 423 CB ASN A 54 -23.499 19.310 11.618 1.00 0.00 C
425
+ ATOM 424 O ASN A 54 -23.085 17.143 13.296 1.00 0.00 O
426
+ ATOM 425 CG ASN A 54 -23.207 20.611 10.897 1.00 0.00 C
427
+ ATOM 426 ND2 ASN A 54 -24.239 21.422 10.696 1.00 0.00 N
428
+ ATOM 427 OD1 ASN A 54 -22.063 20.885 10.523 1.00 0.00 O
429
+ ATOM 428 N ARG A 55 -22.538 15.856 11.622 1.00 0.00 N
430
+ ATOM 429 CA ARG A 55 -22.602 14.650 12.443 1.00 0.00 C
431
+ ATOM 430 C ARG A 55 -21.476 13.685 12.086 1.00 0.00 C
432
+ ATOM 431 CB ARG A 55 -23.956 13.958 12.277 1.00 0.00 C
433
+ ATOM 432 O ARG A 55 -20.996 13.675 10.951 1.00 0.00 O
434
+ ATOM 433 CG ARG A 55 -24.219 13.447 10.869 1.00 0.00 C
435
+ ATOM 434 CD ARG A 55 -25.594 12.805 10.750 1.00 0.00 C
436
+ ATOM 435 NE ARG A 55 -25.834 12.291 9.404 1.00 0.00 N
437
+ ATOM 436 NH1 ARG A 55 -27.781 11.176 9.953 1.00 0.00 N
438
+ ATOM 437 NH2 ARG A 55 -26.988 11.117 7.803 1.00 0.00 N
439
+ ATOM 438 CZ ARG A 55 -26.867 11.529 9.056 1.00 0.00 C
440
+ ATOM 439 N ARG A 56 -21.047 12.970 13.057 1.00 0.00 N
441
+ ATOM 440 CA ARG A 56 -20.099 11.880 12.850 1.00 0.00 C
442
+ ATOM 441 C ARG A 56 -20.823 10.573 12.549 1.00 0.00 C
443
+ ATOM 442 CB ARG A 56 -19.199 11.710 14.076 1.00 0.00 C
444
+ ATOM 443 O ARG A 56 -21.773 10.208 13.246 1.00 0.00 O
445
+ ATOM 444 CG ARG A 56 -18.383 12.946 14.418 1.00 0.00 C
446
+ ATOM 445 CD ARG A 56 -17.436 12.692 15.582 1.00 0.00 C
447
+ ATOM 446 NE ARG A 56 -18.160 12.429 16.821 1.00 0.00 N
448
+ ATOM 447 NH1 ARG A 56 -16.266 12.170 18.118 1.00 0.00 N
449
+ ATOM 448 NH2 ARG A 56 -18.345 11.960 19.062 1.00 0.00 N
450
+ ATOM 449 CZ ARG A 56 -17.589 12.187 17.997 1.00 0.00 C
451
+ ATOM 450 N VAL A 57 -20.359 9.864 11.568 1.00 0.00 N
452
+ ATOM 451 CA VAL A 57 -21.022 8.637 11.141 1.00 0.00 C
453
+ ATOM 452 C VAL A 57 -20.022 7.732 10.424 1.00 0.00 C
454
+ ATOM 453 CB VAL A 57 -22.227 8.934 10.221 1.00 0.00 C
455
+ ATOM 454 O VAL A 57 -19.029 8.209 9.870 1.00 0.00 O
456
+ ATOM 455 CG1 VAL A 57 -21.768 9.620 8.934 1.00 0.00 C
457
+ ATOM 456 CG2 VAL A 57 -22.984 7.647 9.902 1.00 0.00 C
458
+ ATOM 457 N ILE A 58 -20.280 6.548 10.501 1.00 0.00 N
459
+ ATOM 458 CA ILE A 58 -19.531 5.602 9.682 1.00 0.00 C
460
+ ATOM 459 C ILE A 58 -20.424 5.070 8.563 1.00 0.00 C
461
+ ATOM 460 CB ILE A 58 -18.978 4.434 10.529 1.00 0.00 C
462
+ ATOM 461 O ILE A 58 -21.502 4.531 8.823 1.00 0.00 O
463
+ ATOM 462 CG1 ILE A 58 -18.035 4.962 11.615 1.00 0.00 C
464
+ ATOM 463 CG2 ILE A 58 -18.271 3.409 9.638 1.00 0.00 C
465
+ ATOM 464 CD1 ILE A 58 -17.665 3.928 12.670 1.00 0.00 C
466
+ ATOM 465 N VAL A 59 -19.942 5.218 7.295 1.00 0.00 N
467
+ ATOM 466 CA VAL A 59 -20.697 4.766 6.131 1.00 0.00 C
468
+ ATOM 467 C VAL A 59 -20.042 3.518 5.544 1.00 0.00 C
469
+ ATOM 468 CB VAL A 59 -20.799 5.871 5.057 1.00 0.00 C
470
+ ATOM 469 O VAL A 59 -18.842 3.515 5.258 1.00 0.00 O
471
+ ATOM 470 CG1 VAL A 59 -21.570 5.368 3.837 1.00 0.00 C
472
+ ATOM 471 CG2 VAL A 59 -21.463 7.119 5.636 1.00 0.00 C
473
+ ATOM 472 N CYS A 60 -20.857 2.496 5.333 1.00 0.00 N
474
+ ATOM 473 CA CYS A 60 -20.420 1.270 4.675 1.00 0.00 C
475
+ ATOM 474 C CYS A 60 -21.200 1.035 3.386 1.00 0.00 C
476
+ ATOM 475 CB CYS A 60 -20.588 0.071 5.608 1.00 0.00 C
477
+ ATOM 476 O CYS A 60 -22.401 1.300 3.326 1.00 0.00 O
478
+ ATOM 477 SG CYS A 60 -19.664 0.217 7.153 1.00 0.00 S
479
+ ATOM 478 N ASN A 61 -20.520 0.608 2.434 1.00 0.00 N
480
+ ATOM 479 CA ASN A 61 -21.153 0.385 1.139 1.00 0.00 C
481
+ ATOM 480 C ASN A 61 -20.336 -0.566 0.269 1.00 0.00 C
482
+ ATOM 481 CB ASN A 61 -21.369 1.714 0.412 1.00 0.00 C
483
+ ATOM 482 O ASN A 61 -19.264 -1.019 0.677 1.00 0.00 O
484
+ ATOM 483 CG ASN A 61 -22.583 1.693 -0.497 1.00 0.00 C
485
+ ATOM 484 ND2 ASN A 61 -23.174 2.860 -0.724 1.00 0.00 N
486
+ ATOM 485 OD1 ASN A 61 -22.986 0.636 -0.990 1.00 0.00 O
487
+ ATOM 486 N THR A 62 -20.870 -0.902 -0.827 1.00 0.00 N
488
+ ATOM 487 CA THR A 62 -20.245 -1.661 -1.904 1.00 0.00 C
489
+ ATOM 488 C THR A 62 -20.350 -0.908 -3.228 1.00 0.00 C
490
+ ATOM 489 CB THR A 62 -20.885 -3.054 -2.051 1.00 0.00 C
491
+ ATOM 490 O THR A 62 -21.391 -0.324 -3.535 1.00 0.00 O
492
+ ATOM 491 CG2 THR A 62 -20.263 -3.826 -3.210 1.00 0.00 C
493
+ ATOM 492 OG1 THR A 62 -20.689 -3.794 -0.840 1.00 0.00 O
494
+ ATOM 493 N LYS A 63 -19.306 -0.947 -3.931 1.00 0.00 N
495
+ ATOM 494 CA LYS A 63 -19.287 -0.314 -5.247 1.00 0.00 C
496
+ ATOM 495 C LYS A 63 -19.031 -1.340 -6.347 1.00 0.00 C
497
+ ATOM 496 CB LYS A 63 -18.224 0.786 -5.298 1.00 0.00 C
498
+ ATOM 497 O LYS A 63 -17.950 -1.929 -6.415 1.00 0.00 O
499
+ ATOM 498 CG LYS A 63 -18.299 1.661 -6.539 1.00 0.00 C
500
+ ATOM 499 CD LYS A 63 -17.222 2.738 -6.530 1.00 0.00 C
501
+ ATOM 500 CE LYS A 63 -17.246 3.567 -7.806 1.00 0.00 C
502
+ ATOM 501 NZ LYS A 63 -16.044 4.447 -7.919 1.00 0.00 N
503
+ ATOM 502 N LEU A 64 -19.946 -1.444 -7.211 1.00 0.00 N
504
+ ATOM 503 CA LEU A 64 -19.841 -2.323 -8.371 1.00 0.00 C
505
+ ATOM 504 C LEU A 64 -20.034 -1.541 -9.666 1.00 0.00 C
506
+ ATOM 505 CB LEU A 64 -20.872 -3.452 -8.283 1.00 0.00 C
507
+ ATOM 506 O LEU A 64 -20.964 -0.740 -9.779 1.00 0.00 O
508
+ ATOM 507 CG LEU A 64 -20.765 -4.376 -7.069 1.00 0.00 C
509
+ ATOM 508 CD1 LEU A 64 -21.947 -5.340 -7.031 1.00 0.00 C
510
+ ATOM 509 CD2 LEU A 64 -19.446 -5.139 -7.094 1.00 0.00 C
511
+ ATOM 510 N ASP A 65 -19.155 -1.806 -10.600 1.00 0.00 N
512
+ ATOM 511 CA ASP A 65 -19.240 -1.155 -11.904 1.00 0.00 C
513
+ ATOM 512 C ASP A 65 -19.422 0.354 -11.753 1.00 0.00 C
514
+ ATOM 513 CB ASP A 65 -20.390 -1.743 -12.724 1.00 0.00 C
515
+ ATOM 514 O ASP A 65 -20.318 0.941 -12.362 1.00 0.00 O
516
+ ATOM 515 CG ASP A 65 -20.173 -3.201 -13.087 1.00 0.00 C
517
+ ATOM 516 OD1 ASP A 65 -19.036 -3.578 -13.444 1.00 0.00 O
518
+ ATOM 517 OD2 ASP A 65 -21.148 -3.980 -13.019 1.00 0.00 O
519
+ ATOM 518 N ASN A 66 -18.758 1.003 -10.893 1.00 0.00 N
520
+ ATOM 519 CA ASN A 66 -18.674 2.436 -10.637 1.00 0.00 C
521
+ ATOM 520 C ASN A 66 -19.973 2.978 -10.049 1.00 0.00 C
522
+ ATOM 521 CB ASN A 66 -18.316 3.190 -11.919 1.00 0.00 C
523
+ ATOM 522 O ASN A 66 -20.250 4.175 -10.141 1.00 0.00 O
524
+ ATOM 523 CG ASN A 66 -16.876 2.976 -12.341 1.00 0.00 C
525
+ ATOM 524 ND2 ASN A 66 -16.623 3.039 -13.643 1.00 0.00 N
526
+ ATOM 525 OD1 ASN A 66 -15.998 2.754 -11.503 1.00 0.00 O
527
+ ATOM 526 N ASN A 67 -20.718 2.056 -9.531 1.00 0.00 N
528
+ ATOM 527 CA ASN A 67 -21.956 2.480 -8.885 1.00 0.00 C
529
+ ATOM 528 C ASN A 67 -22.018 2.016 -7.432 1.00 0.00 C
530
+ ATOM 529 CB ASN A 67 -23.169 1.964 -9.660 1.00 0.00 C
531
+ ATOM 530 O ASN A 67 -21.904 0.821 -7.153 1.00 0.00 O
532
+ ATOM 531 CG ASN A 67 -23.287 2.581 -11.041 1.00 0.00 C
533
+ ATOM 532 ND2 ASN A 67 -23.378 1.736 -12.061 1.00 0.00 N
534
+ ATOM 533 OD1 ASN A 67 -23.295 3.805 -11.187 1.00 0.00 O
535
+ ATOM 534 N TRP A 68 -22.190 2.898 -6.568 1.00 0.00 N
536
+ ATOM 535 CA TRP A 68 -22.398 2.584 -5.159 1.00 0.00 C
537
+ ATOM 536 C TRP A 68 -23.765 1.944 -4.938 1.00 0.00 C
538
+ ATOM 537 CB TRP A 68 -22.268 3.846 -4.301 1.00 0.00 C
539
+ ATOM 538 O TRP A 68 -24.732 2.279 -5.625 1.00 0.00 O
540
+ ATOM 539 CG TRP A 68 -20.866 4.365 -4.191 1.00 0.00 C
541
+ ATOM 540 CD1 TRP A 68 -20.365 5.510 -4.747 1.00 0.00 C
542
+ ATOM 541 CD2 TRP A 68 -19.783 3.756 -3.482 1.00 0.00 C
543
+ ATOM 542 CE2 TRP A 68 -18.652 4.586 -3.652 1.00 0.00 C
544
+ ATOM 543 CE3 TRP A 68 -19.658 2.587 -2.720 1.00 0.00 C
545
+ ATOM 544 NE1 TRP A 68 -19.034 5.648 -4.426 1.00 0.00 N
546
+ ATOM 545 CH2 TRP A 68 -17.317 3.133 -2.343 1.00 0.00 C
547
+ ATOM 546 CZ2 TRP A 68 -17.412 4.283 -3.085 1.00 0.00 C
548
+ ATOM 547 CZ3 TRP A 68 -18.423 2.287 -2.157 1.00 0.00 C
549
+ ATOM 548 N GLY A 69 -23.786 1.070 -4.081 1.00 0.00 N
550
+ ATOM 549 CA GLY A 69 -25.032 0.434 -3.687 1.00 0.00 C
551
+ ATOM 550 C GLY A 69 -25.715 1.127 -2.522 1.00 0.00 C
552
+ ATOM 551 O GLY A 69 -25.535 2.329 -2.317 1.00 0.00 O
553
+ ATOM 552 N ARG A 70 -26.527 0.329 -1.799 1.00 0.00 N
554
+ ATOM 553 CA ARG A 70 -27.219 0.857 -0.628 1.00 0.00 C
555
+ ATOM 554 C ARG A 70 -26.252 1.056 0.536 1.00 0.00 C
556
+ ATOM 555 CB ARG A 70 -28.357 -0.077 -0.209 1.00 0.00 C
557
+ ATOM 556 O ARG A 70 -25.564 0.119 0.945 1.00 0.00 O
558
+ ATOM 557 CG ARG A 70 -29.186 0.445 0.953 1.00 0.00 C
559
+ ATOM 558 CD ARG A 70 -30.292 -0.527 1.340 1.00 0.00 C
560
+ ATOM 559 NE ARG A 70 -30.958 -0.124 2.574 1.00 0.00 N
561
+ ATOM 560 NH1 ARG A 70 -32.222 -2.048 2.766 1.00 0.00 N
562
+ ATOM 561 NH2 ARG A 70 -32.404 -0.391 4.338 1.00 0.00 N
563
+ ATOM 562 CZ ARG A 70 -31.860 -0.855 3.223 1.00 0.00 C
564
+ ATOM 563 N GLU A 71 -26.287 2.204 1.133 1.00 0.00 N
565
+ ATOM 564 CA GLU A 71 -25.422 2.531 2.263 1.00 0.00 C
566
+ ATOM 565 C GLU A 71 -25.917 1.870 3.546 1.00 0.00 C
567
+ ATOM 566 CB GLU A 71 -25.333 4.047 2.453 1.00 0.00 C
568
+ ATOM 567 O GLU A 71 -27.125 1.745 3.760 1.00 0.00 O
569
+ ATOM 568 CG GLU A 71 -24.626 4.768 1.314 1.00 0.00 C
570
+ ATOM 569 CD GLU A 71 -24.442 6.256 1.568 1.00 0.00 C
571
+ ATOM 570 OE1 GLU A 71 -25.124 6.807 2.462 1.00 0.00 O
572
+ ATOM 571 OE2 GLU A 71 -23.612 6.875 0.867 1.00 0.00 O
573
+ ATOM 572 N GLU A 72 -25.064 1.427 4.318 1.00 0.00 N
574
+ ATOM 573 CA GLU A 72 -25.296 1.098 5.721 1.00 0.00 C
575
+ ATOM 574 C GLU A 72 -24.556 2.060 6.644 1.00 0.00 C
576
+ ATOM 575 CB GLU A 72 -24.871 -0.344 6.011 1.00 0.00 C
577
+ ATOM 576 O GLU A 72 -23.347 2.258 6.503 1.00 0.00 O
578
+ ATOM 577 CG GLU A 72 -25.657 -1.387 5.231 1.00 0.00 C
579
+ ATOM 578 CD GLU A 72 -25.282 -2.816 5.594 1.00 0.00 C
580
+ ATOM 579 OE1 GLU A 72 -24.757 -3.041 6.708 1.00 0.00 O
581
+ ATOM 580 OE2 GLU A 72 -25.515 -3.716 4.756 1.00 0.00 O
582
+ ATOM 581 N ARG A 73 -25.295 2.594 7.608 1.00 0.00 N
583
+ ATOM 582 CA ARG A 73 -24.721 3.650 8.437 1.00 0.00 C
584
+ ATOM 583 C ARG A 73 -24.679 3.232 9.903 1.00 0.00 C
585
+ ATOM 584 CB ARG A 73 -25.518 4.947 8.283 1.00 0.00 C
586
+ ATOM 585 O ARG A 73 -25.646 2.669 10.421 1.00 0.00 O
587
+ ATOM 586 CG ARG A 73 -25.486 5.527 6.878 1.00 0.00 C
588
+ ATOM 587 CD ARG A 73 -26.339 6.783 6.768 1.00 0.00 C
589
+ ATOM 588 NE ARG A 73 -26.241 7.385 5.441 1.00 0.00 N
590
+ ATOM 589 NH1 ARG A 73 -25.105 9.267 6.151 1.00 0.00 N
591
+ ATOM 590 NH2 ARG A 73 -25.626 9.006 3.934 1.00 0.00 N
592
+ ATOM 591 CZ ARG A 73 -25.658 8.551 5.178 1.00 0.00 C
593
+ ATOM 592 N GLN A 74 -23.607 3.518 10.565 1.00 0.00 N
594
+ ATOM 593 CA GLN A 74 -23.340 3.227 11.971 1.00 0.00 C
595
+ ATOM 594 C GLN A 74 -23.103 4.510 12.763 1.00 0.00 C
596
+ ATOM 595 CB GLN A 74 -22.133 2.296 12.106 1.00 0.00 C
597
+ ATOM 596 O GLN A 74 -22.216 5.298 12.428 1.00 0.00 O
598
+ ATOM 597 CG GLN A 74 -21.668 2.098 13.543 1.00 0.00 C
599
+ ATOM 598 CD GLN A 74 -22.718 1.436 14.415 1.00 0.00 C
600
+ ATOM 599 NE2 GLN A 74 -22.366 0.300 15.007 1.00 0.00 N
601
+ ATOM 600 OE1 GLN A 74 -23.836 1.941 14.555 1.00 0.00 O
602
+ ATOM 601 N SER A 75 -23.926 4.648 13.799 1.00 0.00 N
603
+ ATOM 602 CA SER A 75 -23.898 5.914 14.525 1.00 0.00 C
604
+ ATOM 603 C SER A 75 -22.827 5.906 15.609 1.00 0.00 C
605
+ ATOM 604 CB SER A 75 -25.263 6.206 15.148 1.00 0.00 C
606
+ ATOM 605 O SER A 75 -22.358 6.964 16.033 1.00 0.00 O
607
+ ATOM 606 OG SER A 75 -25.671 5.140 15.989 1.00 0.00 O
608
+ ATOM 607 N VAL A 76 -22.443 4.694 16.170 1.00 0.00 N
609
+ ATOM 608 CA VAL A 76 -21.335 4.630 17.118 1.00 0.00 C
610
+ ATOM 609 C VAL A 76 -20.030 4.994 16.413 1.00 0.00 C
611
+ ATOM 610 CB VAL A 76 -21.220 3.231 17.763 1.00 0.00 C
612
+ ATOM 611 O VAL A 76 -19.664 4.373 15.412 1.00 0.00 O
613
+ ATOM 612 CG1 VAL A 76 -20.028 3.172 18.717 1.00 0.00 C
614
+ ATOM 613 CG2 VAL A 76 -22.512 2.874 18.495 1.00 0.00 C
615
+ ATOM 614 N PHE A 77 -19.324 5.921 16.907 1.00 0.00 N
616
+ ATOM 615 CA PHE A 77 -18.166 6.502 16.237 1.00 0.00 C
617
+ ATOM 616 C PHE A 77 -16.954 6.510 17.160 1.00 0.00 C
618
+ ATOM 617 CB PHE A 77 -18.477 7.925 15.764 1.00 0.00 C
619
+ ATOM 618 O PHE A 77 -16.721 7.485 17.878 1.00 0.00 O
620
+ ATOM 619 CG PHE A 77 -17.523 8.439 14.719 1.00 0.00 C
621
+ ATOM 620 CD1 PHE A 77 -17.766 8.220 13.369 1.00 0.00 C
622
+ ATOM 621 CD2 PHE A 77 -16.384 9.142 15.088 1.00 0.00 C
623
+ ATOM 622 CE1 PHE A 77 -16.886 8.694 12.400 1.00 0.00 C
624
+ ATOM 623 CE2 PHE A 77 -15.499 9.620 14.125 1.00 0.00 C
625
+ ATOM 624 CZ PHE A 77 -15.751 9.393 12.781 1.00 0.00 C
626
+ ATOM 625 N PRO A 78 -16.130 5.541 17.156 1.00 0.00 N
627
+ ATOM 626 CA PRO A 78 -15.042 5.367 18.122 1.00 0.00 C
628
+ ATOM 627 C PRO A 78 -13.732 5.998 17.655 1.00 0.00 C
629
+ ATOM 628 CB PRO A 78 -14.907 3.847 18.232 1.00 0.00 C
630
+ ATOM 629 O PRO A 78 -12.651 5.505 17.991 1.00 0.00 O
631
+ ATOM 630 CG PRO A 78 -15.260 3.333 16.873 1.00 0.00 C
632
+ ATOM 631 CD PRO A 78 -16.350 4.195 16.305 1.00 0.00 C
633
+ ATOM 632 N PHE A 79 -13.725 6.999 16.830 1.00 0.00 N
634
+ ATOM 633 CA PHE A 79 -12.537 7.675 16.325 1.00 0.00 C
635
+ ATOM 634 C PHE A 79 -12.456 9.100 16.860 1.00 0.00 C
636
+ ATOM 635 CB PHE A 79 -12.535 7.689 14.792 1.00 0.00 C
637
+ ATOM 636 O PHE A 79 -13.449 9.831 16.846 1.00 0.00 O
638
+ ATOM 637 CG PHE A 79 -12.588 6.319 14.173 1.00 0.00 C
639
+ ATOM 638 CD1 PHE A 79 -11.425 5.584 13.977 1.00 0.00 C
640
+ ATOM 639 CD2 PHE A 79 -13.801 5.765 13.786 1.00 0.00 C
641
+ ATOM 640 CE1 PHE A 79 -11.471 4.316 13.403 1.00 0.00 C
642
+ ATOM 641 CE2 PHE A 79 -13.856 4.498 13.213 1.00 0.00 C
643
+ ATOM 642 CZ PHE A 79 -12.689 3.776 13.022 1.00 0.00 C
644
+ ATOM 643 N GLU A 80 -11.295 9.510 17.331 1.00 0.00 N
645
+ ATOM 644 CA GLU A 80 -11.054 10.854 17.849 1.00 0.00 C
646
+ ATOM 645 C GLU A 80 -9.814 11.475 17.213 1.00 0.00 C
647
+ ATOM 646 CB GLU A 80 -10.907 10.826 19.372 1.00 0.00 C
648
+ ATOM 647 O GLU A 80 -8.753 10.848 17.166 1.00 0.00 O
649
+ ATOM 648 CG GLU A 80 -12.186 10.451 20.107 1.00 0.00 C
650
+ ATOM 649 CD GLU A 80 -12.020 10.412 21.618 1.00 0.00 C
651
+ ATOM 650 OE1 GLU A 80 -11.149 11.135 22.152 1.00 0.00 O
652
+ ATOM 651 OE2 GLU A 80 -12.767 9.651 22.273 1.00 0.00 O
653
+ ATOM 652 N SER A 81 -10.001 12.669 16.842 1.00 0.00 N
654
+ ATOM 653 CA SER A 81 -8.891 13.396 16.234 1.00 0.00 C
655
+ ATOM 654 C SER A 81 -7.683 13.441 17.163 1.00 0.00 C
656
+ ATOM 655 CB SER A 81 -9.318 14.818 15.870 1.00 0.00 C
657
+ ATOM 656 O SER A 81 -7.825 13.693 18.362 1.00 0.00 O
658
+ ATOM 657 OG SER A 81 -10.268 14.805 14.818 1.00 0.00 O
659
+ ATOM 658 N GLY A 82 -6.558 13.169 16.648 1.00 0.00 N
660
+ ATOM 659 CA GLY A 82 -5.310 13.227 17.391 1.00 0.00 C
661
+ ATOM 660 C GLY A 82 -5.054 11.986 18.226 1.00 0.00 C
662
+ ATOM 661 O GLY A 82 -4.036 11.895 18.916 1.00 0.00 O
663
+ ATOM 662 N LYS A 83 -5.937 11.013 18.227 1.00 0.00 N
664
+ ATOM 663 CA LYS A 83 -5.823 9.840 19.089 1.00 0.00 C
665
+ ATOM 664 C LYS A 83 -5.535 8.584 18.272 1.00 0.00 C
666
+ ATOM 665 CB LYS A 83 -7.101 9.650 19.909 1.00 0.00 C
667
+ ATOM 666 O LYS A 83 -5.926 8.491 17.107 1.00 0.00 O
668
+ ATOM 667 CG LYS A 83 -7.436 10.827 20.813 1.00 0.00 C
669
+ ATOM 668 CD LYS A 83 -6.396 11.002 21.912 1.00 0.00 C
670
+ ATOM 669 CE LYS A 83 -6.754 12.152 22.845 1.00 0.00 C
671
+ ATOM 670 NZ LYS A 83 -5.755 12.306 23.943 1.00 0.00 N
672
+ ATOM 671 N PRO A 84 -4.821 7.640 18.901 1.00 0.00 N
673
+ ATOM 672 CA PRO A 84 -4.573 6.371 18.212 1.00 0.00 C
674
+ ATOM 673 C PRO A 84 -5.835 5.523 18.065 1.00 0.00 C
675
+ ATOM 674 CB PRO A 84 -3.550 5.674 19.113 1.00 0.00 C
676
+ ATOM 675 O PRO A 84 -6.799 5.710 18.811 1.00 0.00 O
677
+ ATOM 676 CG PRO A 84 -3.809 6.222 20.479 1.00 0.00 C
678
+ ATOM 677 CD PRO A 84 -4.221 7.660 20.346 1.00 0.00 C
679
+ ATOM 678 N PHE A 85 -5.867 4.687 17.155 1.00 0.00 N
680
+ ATOM 679 CA PHE A 85 -6.926 3.703 16.971 1.00 0.00 C
681
+ ATOM 680 C PHE A 85 -6.347 2.353 16.565 1.00 0.00 C
682
+ ATOM 681 CB PHE A 85 -7.930 4.182 15.916 1.00 0.00 C
683
+ ATOM 682 O PHE A 85 -5.221 2.278 16.072 1.00 0.00 O
684
+ ATOM 683 CG PHE A 85 -7.359 4.255 14.526 1.00 0.00 C
685
+ ATOM 684 CD1 PHE A 85 -6.893 5.460 14.013 1.00 0.00 C
686
+ ATOM 685 CD2 PHE A 85 -7.288 3.118 13.731 1.00 0.00 C
687
+ ATOM 686 CE1 PHE A 85 -6.365 5.530 12.726 1.00 0.00 C
688
+ ATOM 687 CE2 PHE A 85 -6.761 3.181 12.444 1.00 0.00 C
689
+ ATOM 688 CZ PHE A 85 -6.301 4.388 11.943 1.00 0.00 C
690
+ ATOM 689 N LYS A 86 -7.059 1.308 16.810 1.00 0.00 N
691
+ ATOM 690 CA LYS A 86 -6.869 -0.054 16.320 1.00 0.00 C
692
+ ATOM 691 C LYS A 86 -8.131 -0.576 15.641 1.00 0.00 C
693
+ ATOM 692 CB LYS A 86 -6.466 -0.986 17.464 1.00 0.00 C
694
+ ATOM 693 O LYS A 86 -9.169 -0.739 16.287 1.00 0.00 O
695
+ ATOM 694 CG LYS A 86 -6.236 -2.427 17.037 1.00 0.00 C
696
+ ATOM 695 CD LYS A 86 -5.698 -3.272 18.186 1.00 0.00 C
697
+ ATOM 696 CE LYS A 86 -6.774 -3.555 19.225 1.00 0.00 C
698
+ ATOM 697 NZ LYS A 86 -6.332 -4.582 20.215 1.00 0.00 N
699
+ ATOM 698 N ILE A 87 -8.062 -0.770 14.349 1.00 0.00 N
700
+ ATOM 699 CA ILE A 87 -9.162 -1.377 13.607 1.00 0.00 C
701
+ ATOM 700 C ILE A 87 -8.848 -2.846 13.331 1.00 0.00 C
702
+ ATOM 701 CB ILE A 87 -9.431 -0.629 12.281 1.00 0.00 C
703
+ ATOM 702 O ILE A 87 -7.756 -3.177 12.863 1.00 0.00 O
704
+ ATOM 703 CG1 ILE A 87 -9.822 0.827 12.562 1.00 0.00 C
705
+ ATOM 704 CG2 ILE A 87 -10.518 -1.342 11.471 1.00 0.00 C
706
+ ATOM 705 CD1 ILE A 87 -9.855 1.707 11.319 1.00 0.00 C
707
+ ATOM 706 N GLN A 88 -9.794 -3.729 13.581 1.00 0.00 N
708
+ ATOM 707 CA GLN A 88 -9.732 -5.147 13.241 1.00 0.00 C
709
+ ATOM 708 C GLN A 88 -10.916 -5.555 12.371 1.00 0.00 C
710
+ ATOM 709 CB GLN A 88 -9.695 -6.002 14.509 1.00 0.00 C
711
+ ATOM 710 O GLN A 88 -12.066 -5.240 12.686 1.00 0.00 O
712
+ ATOM 711 CG GLN A 88 -8.474 -5.750 15.384 1.00 0.00 C
713
+ ATOM 712 CD GLN A 88 -8.585 -6.402 16.750 1.00 0.00 C
714
+ ATOM 713 NE2 GLN A 88 -7.848 -7.489 16.950 1.00 0.00 N
715
+ ATOM 714 OE1 GLN A 88 -9.328 -5.932 17.618 1.00 0.00 O
716
+ ATOM 715 N VAL A 89 -10.624 -6.198 11.283 1.00 0.00 N
717
+ ATOM 716 CA VAL A 89 -11.651 -6.741 10.399 1.00 0.00 C
718
+ ATOM 717 C VAL A 89 -11.487 -8.254 10.285 1.00 0.00 C
719
+ ATOM 718 CB VAL A 89 -11.592 -6.093 8.997 1.00 0.00 C
720
+ ATOM 719 O VAL A 89 -10.474 -8.740 9.778 1.00 0.00 O
721
+ ATOM 720 CG1 VAL A 89 -12.728 -6.609 8.116 1.00 0.00 C
722
+ ATOM 721 CG2 VAL A 89 -11.651 -4.570 9.111 1.00 0.00 C
723
+ ATOM 722 N LEU A 90 -12.434 -8.943 10.794 1.00 0.00 N
724
+ ATOM 723 CA LEU A 90 -12.470 -10.398 10.691 1.00 0.00 C
725
+ ATOM 724 C LEU A 90 -13.364 -10.840 9.537 1.00 0.00 C
726
+ ATOM 725 CB LEU A 90 -12.966 -11.016 12.002 1.00 0.00 C
727
+ ATOM 726 O LEU A 90 -14.519 -10.418 9.445 1.00 0.00 O
728
+ ATOM 727 CG LEU A 90 -13.056 -12.543 12.040 1.00 0.00 C
729
+ ATOM 728 CD1 LEU A 90 -11.675 -13.160 11.847 1.00 0.00 C
730
+ ATOM 729 CD2 LEU A 90 -13.679 -13.008 13.352 1.00 0.00 C
731
+ ATOM 730 N VAL A 91 -12.786 -11.681 8.650 1.00 0.00 N
732
+ ATOM 731 CA VAL A 91 -13.539 -12.203 7.513 1.00 0.00 C
733
+ ATOM 732 C VAL A 91 -14.246 -13.496 7.913 1.00 0.00 C
734
+ ATOM 733 CB VAL A 91 -12.624 -12.451 6.293 1.00 0.00 C
735
+ ATOM 734 O VAL A 91 -13.597 -14.505 8.198 1.00 0.00 O
736
+ ATOM 735 CG1 VAL A 91 -13.438 -12.949 5.100 1.00 0.00 C
737
+ ATOM 736 CG2 VAL A 91 -11.863 -11.177 5.931 1.00 0.00 C
738
+ ATOM 737 N GLU A 92 -15.521 -13.439 7.967 1.00 0.00 N
739
+ ATOM 738 CA GLU A 92 -16.360 -14.608 8.211 1.00 0.00 C
740
+ ATOM 739 C GLU A 92 -16.998 -15.109 6.918 1.00 0.00 C
741
+ ATOM 740 CB GLU A 92 -17.444 -14.286 9.243 1.00 0.00 C
742
+ ATOM 741 O GLU A 92 -16.928 -14.440 5.886 1.00 0.00 O
743
+ ATOM 742 CG GLU A 92 -16.899 -13.943 10.622 1.00 0.00 C
744
+ ATOM 743 CD GLU A 92 -16.466 -15.165 11.416 1.00 0.00 C
745
+ ATOM 744 OE1 GLU A 92 -16.796 -16.302 11.010 1.00 0.00 O
746
+ ATOM 745 OE2 GLU A 92 -15.792 -14.984 12.454 1.00 0.00 O
747
+ ATOM 746 N PRO A 93 -17.569 -16.255 6.929 1.00 0.00 N
748
+ ATOM 747 CA PRO A 93 -18.164 -16.776 5.695 1.00 0.00 C
749
+ ATOM 748 C PRO A 93 -19.258 -15.867 5.139 1.00 0.00 C
750
+ ATOM 749 CB PRO A 93 -18.742 -18.126 6.125 1.00 0.00 C
751
+ ATOM 750 O PRO A 93 -19.423 -15.769 3.920 1.00 0.00 O
752
+ ATOM 751 CG PRO A 93 -17.849 -18.590 7.231 1.00 0.00 C
753
+ ATOM 752 CD PRO A 93 -17.440 -17.396 8.044 1.00 0.00 C
754
+ ATOM 753 N ASP A 94 -19.930 -15.183 5.933 1.00 0.00 N
755
+ ATOM 754 CA ASP A 94 -21.117 -14.476 5.462 1.00 0.00 C
756
+ ATOM 755 C ASP A 94 -20.954 -12.965 5.616 1.00 0.00 C
757
+ ATOM 756 CB ASP A 94 -22.360 -14.951 6.218 1.00 0.00 C
758
+ ATOM 757 O ASP A 94 -21.774 -12.193 5.117 1.00 0.00 O
759
+ ATOM 758 CG ASP A 94 -22.705 -16.404 5.938 1.00 0.00 C
760
+ ATOM 759 OD1 ASP A 94 -22.586 -16.846 4.776 1.00 0.00 O
761
+ ATOM 760 OD2 ASP A 94 -23.102 -17.111 6.890 1.00 0.00 O
762
+ ATOM 761 N HIS A 95 -19.953 -12.478 6.383 1.00 0.00 N
763
+ ATOM 762 CA HIS A 95 -19.855 -11.046 6.646 1.00 0.00 C
764
+ ATOM 763 C HIS A 95 -18.441 -10.659 7.066 1.00 0.00 C
765
+ ATOM 764 CB HIS A 95 -20.856 -10.630 7.724 1.00 0.00 C
766
+ ATOM 765 O HIS A 95 -17.627 -11.525 7.396 1.00 0.00 O
767
+ ATOM 766 CG HIS A 95 -20.662 -11.337 9.029 1.00 0.00 C
768
+ ATOM 767 CD2 HIS A 95 -20.001 -10.967 10.151 1.00 0.00 C
769
+ ATOM 768 ND1 HIS A 95 -21.184 -12.587 9.282 1.00 0.00 N
770
+ ATOM 769 CE1 HIS A 95 -20.851 -12.957 10.507 1.00 0.00 C
771
+ ATOM 770 NE2 HIS A 95 -20.133 -11.991 11.056 1.00 0.00 N
772
+ ATOM 771 N PHE A 96 -18.203 -9.462 6.969 1.00 0.00 N
773
+ ATOM 772 CA PHE A 96 -17.087 -8.831 7.662 1.00 0.00 C
774
+ ATOM 773 C PHE A 96 -17.495 -8.405 9.068 1.00 0.00 C
775
+ ATOM 774 CB PHE A 96 -16.577 -7.621 6.874 1.00 0.00 C
776
+ ATOM 775 O PHE A 96 -18.580 -7.854 9.265 1.00 0.00 O
777
+ ATOM 776 CG PHE A 96 -16.008 -7.970 5.526 1.00 0.00 C
778
+ ATOM 777 CD1 PHE A 96 -14.715 -8.468 5.410 1.00 0.00 C
779
+ ATOM 778 CD2 PHE A 96 -16.765 -7.801 4.374 1.00 0.00 C
780
+ ATOM 779 CE1 PHE A 96 -14.186 -8.793 4.163 1.00 0.00 C
781
+ ATOM 780 CE2 PHE A 96 -16.242 -8.124 3.125 1.00 0.00 C
782
+ ATOM 781 CZ PHE A 96 -14.951 -8.618 3.021 1.00 0.00 C
783
+ ATOM 782 N LYS A 97 -16.680 -8.706 10.013 1.00 0.00 N
784
+ ATOM 783 CA LYS A 97 -16.842 -8.236 11.387 1.00 0.00 C
785
+ ATOM 784 C LYS A 97 -15.788 -7.189 11.736 1.00 0.00 C
786
+ ATOM 785 CB LYS A 97 -16.762 -9.407 12.367 1.00 0.00 C
787
+ ATOM 786 O LYS A 97 -14.588 -7.453 11.642 1.00 0.00 O
788
+ ATOM 787 CG LYS A 97 -17.248 -9.073 13.770 1.00 0.00 C
789
+ ATOM 788 CD LYS A 97 -17.150 -10.278 14.697 1.00 0.00 C
790
+ ATOM 789 CE LYS A 97 -18.293 -11.257 14.465 1.00 0.00 C
791
+ ATOM 790 NZ LYS A 97 -18.188 -12.453 15.355 1.00 0.00 N
792
+ ATOM 791 N VAL A 98 -16.243 -6.049 12.224 1.00 0.00 N
793
+ ATOM 792 CA VAL A 98 -15.342 -4.932 12.488 1.00 0.00 C
794
+ ATOM 793 C VAL A 98 -15.327 -4.623 13.984 1.00 0.00 C
795
+ ATOM 794 CB VAL A 98 -15.748 -3.673 11.688 1.00 0.00 C
796
+ ATOM 795 O VAL A 98 -16.383 -4.483 14.606 1.00 0.00 O
797
+ ATOM 796 CG1 VAL A 98 -14.741 -2.547 11.907 1.00 0.00 C
798
+ ATOM 797 CG2 VAL A 98 -15.871 -4.004 10.202 1.00 0.00 C
799
+ ATOM 798 N ALA A 99 -14.174 -4.507 14.517 1.00 0.00 N
800
+ ATOM 799 CA ALA A 99 -13.923 -4.000 15.863 1.00 0.00 C
801
+ ATOM 800 C ALA A 99 -12.972 -2.806 15.831 1.00 0.00 C
802
+ ATOM 801 CB ALA A 99 -13.354 -5.105 16.750 1.00 0.00 C
803
+ ATOM 802 O ALA A 99 -12.057 -2.755 15.006 1.00 0.00 O
804
+ ATOM 803 N VAL A 100 -13.209 -1.884 16.696 1.00 0.00 N
805
+ ATOM 804 CA VAL A 100 -12.333 -0.731 16.869 1.00 0.00 C
806
+ ATOM 805 C VAL A 100 -11.940 -0.597 18.339 1.00 0.00 C
807
+ ATOM 806 CB VAL A 100 -13.001 0.572 16.375 1.00 0.00 C
808
+ ATOM 807 O VAL A 100 -12.803 -0.583 19.220 1.00 0.00 O
809
+ ATOM 808 CG1 VAL A 100 -12.066 1.765 16.566 1.00 0.00 C
810
+ ATOM 809 CG2 VAL A 100 -13.409 0.438 14.909 1.00 0.00 C
811
+ ATOM 810 N ASN A 101 -10.703 -0.517 18.497 1.00 0.00 N
812
+ ATOM 811 CA ASN A 101 -10.177 -0.441 19.856 1.00 0.00 C
813
+ ATOM 812 C ASN A 101 -10.724 -1.564 20.734 1.00 0.00 C
814
+ ATOM 813 CB ASN A 101 -10.494 0.920 20.478 1.00 0.00 C
815
+ ATOM 814 O ASN A 101 -11.195 -1.316 21.845 1.00 0.00 O
816
+ ATOM 815 CG ASN A 101 -9.884 2.073 19.705 1.00 0.00 C
817
+ ATOM 816 ND2 ASN A 101 -10.536 3.228 19.748 1.00 0.00 N
818
+ ATOM 817 OD1 ASN A 101 -8.835 1.924 19.072 1.00 0.00 O
819
+ ATOM 818 N ASP A 102 -10.680 -2.682 20.220 1.00 0.00 N
820
+ ATOM 819 CA ASP A 102 -10.958 -3.957 20.873 1.00 0.00 C
821
+ ATOM 820 C ASP A 102 -12.427 -4.058 21.278 1.00 0.00 C
822
+ ATOM 821 CB ASP A 102 -10.061 -4.139 22.098 1.00 0.00 C
823
+ ATOM 822 O ASP A 102 -12.781 -4.850 22.154 1.00 0.00 O
824
+ ATOM 823 CG ASP A 102 -8.585 -4.225 21.746 1.00 0.00 C
825
+ ATOM 824 OD1 ASP A 102 -8.239 -4.846 20.719 1.00 0.00 O
826
+ ATOM 825 OD2 ASP A 102 -7.763 -3.668 22.505 1.00 0.00 O
827
+ ATOM 826 N ALA A 103 -13.217 -3.229 20.690 1.00 0.00 N
828
+ ATOM 827 CA ALA A 103 -14.660 -3.299 20.908 1.00 0.00 C
829
+ ATOM 828 C ALA A 103 -15.401 -3.543 19.596 1.00 0.00 C
830
+ ATOM 829 CB ALA A 103 -15.161 -2.015 21.566 1.00 0.00 C
831
+ ATOM 830 O ALA A 103 -15.109 -2.904 18.582 1.00 0.00 O
832
+ ATOM 831 N HIS A 104 -16.326 -4.515 19.626 1.00 0.00 N
833
+ ATOM 832 CA HIS A 104 -17.154 -4.776 18.455 1.00 0.00 C
834
+ ATOM 833 C HIS A 104 -17.875 -3.513 17.997 1.00 0.00 C
835
+ ATOM 834 CB HIS A 104 -18.170 -5.882 18.752 1.00 0.00 C
836
+ ATOM 835 O HIS A 104 -18.442 -2.785 18.815 1.00 0.00 O
837
+ ATOM 836 CG HIS A 104 -19.149 -6.110 17.645 1.00 0.00 C
838
+ ATOM 837 CD2 HIS A 104 -20.470 -5.829 17.555 1.00 0.00 C
839
+ ATOM 838 ND1 HIS A 104 -18.797 -6.703 16.451 1.00 0.00 N
840
+ ATOM 839 CE1 HIS A 104 -19.862 -6.775 15.671 1.00 0.00 C
841
+ ATOM 840 NE2 HIS A 104 -20.891 -6.251 16.317 1.00 0.00 N
842
+ ATOM 841 N LEU A 105 -17.863 -3.249 16.668 1.00 0.00 N
843
+ ATOM 842 CA LEU A 105 -18.495 -2.042 16.146 1.00 0.00 C
844
+ ATOM 843 C LEU A 105 -19.656 -2.393 15.221 1.00 0.00 C
845
+ ATOM 844 CB LEU A 105 -17.473 -1.182 15.398 1.00 0.00 C
846
+ ATOM 845 O LEU A 105 -20.780 -1.935 15.428 1.00 0.00 O
847
+ ATOM 846 CG LEU A 105 -17.991 0.132 14.813 1.00 0.00 C
848
+ ATOM 847 CD1 LEU A 105 -18.459 1.061 15.929 1.00 0.00 C
849
+ ATOM 848 CD2 LEU A 105 -16.916 0.804 13.967 1.00 0.00 C
850
+ ATOM 849 N LEU A 106 -19.431 -3.185 14.176 1.00 0.00 N
851
+ ATOM 850 CA LEU A 106 -20.479 -3.475 13.202 1.00 0.00 C
852
+ ATOM 851 C LEU A 106 -20.158 -4.745 12.421 1.00 0.00 C
853
+ ATOM 852 CB LEU A 106 -20.655 -2.298 12.239 1.00 0.00 C
854
+ ATOM 853 O LEU A 106 -19.046 -5.271 12.512 1.00 0.00 O
855
+ ATOM 854 CG LEU A 106 -19.437 -1.927 11.392 1.00 0.00 C
856
+ ATOM 855 CD1 LEU A 106 -19.346 -2.834 10.168 1.00 0.00 C
857
+ ATOM 856 CD2 LEU A 106 -19.502 -0.462 10.974 1.00 0.00 C
858
+ ATOM 857 N GLN A 107 -21.047 -5.198 11.733 1.00 0.00 N
859
+ ATOM 858 CA GLN A 107 -20.944 -6.274 10.754 1.00 0.00 C
860
+ ATOM 859 C GLN A 107 -21.462 -5.827 9.390 1.00 0.00 C
861
+ ATOM 860 CB GLN A 107 -21.711 -7.509 11.229 1.00 0.00 C
862
+ ATOM 861 O GLN A 107 -22.392 -5.022 9.306 1.00 0.00 O
863
+ ATOM 862 CG GLN A 107 -21.132 -8.147 12.484 1.00 0.00 C
864
+ ATOM 863 CD GLN A 107 -21.970 -9.303 12.995 1.00 0.00 C
865
+ ATOM 864 NE2 GLN A 107 -21.657 -9.778 14.196 1.00 0.00 N
866
+ ATOM 865 OE1 GLN A 107 -22.893 -9.766 12.316 1.00 0.00 O
867
+ ATOM 866 N TYR A 108 -20.863 -6.298 8.366 1.00 0.00 N
868
+ ATOM 867 CA TYR A 108 -21.250 -5.993 6.994 1.00 0.00 C
869
+ ATOM 868 C TYR A 108 -21.340 -7.265 6.158 1.00 0.00 C
870
+ ATOM 869 CB TYR A 108 -20.254 -5.020 6.357 1.00 0.00 C
871
+ ATOM 870 O TYR A 108 -20.322 -7.900 5.871 1.00 0.00 O
872
+ ATOM 871 CG TYR A 108 -20.692 -4.499 5.009 1.00 0.00 C
873
+ ATOM 872 CD1 TYR A 108 -21.625 -3.471 4.908 1.00 0.00 C
874
+ ATOM 873 CD2 TYR A 108 -20.173 -5.035 3.836 1.00 0.00 C
875
+ ATOM 874 CE1 TYR A 108 -22.033 -2.988 3.669 1.00 0.00 C
876
+ ATOM 875 CE2 TYR A 108 -20.573 -4.561 2.591 1.00 0.00 C
877
+ ATOM 876 OH TYR A 108 -21.902 -3.065 1.288 1.00 0.00 O
878
+ ATOM 877 CZ TYR A 108 -21.501 -3.539 2.517 1.00 0.00 C
879
+ ATOM 878 N ASN A 109 -22.509 -7.629 5.745 1.00 0.00 N
880
+ ATOM 879 CA ASN A 109 -22.699 -8.852 4.972 1.00 0.00 C
881
+ ATOM 880 C ASN A 109 -22.024 -8.763 3.608 1.00 0.00 C
882
+ ATOM 881 CB ASN A 109 -24.190 -9.158 4.809 1.00 0.00 C
883
+ ATOM 882 O ASN A 109 -22.045 -7.710 2.967 1.00 0.00 O
884
+ ATOM 883 CG ASN A 109 -24.843 -9.591 6.106 1.00 0.00 C
885
+ ATOM 884 ND2 ASN A 109 -26.131 -9.298 6.248 1.00 0.00 N
886
+ ATOM 885 OD1 ASN A 109 -24.197 -10.182 6.974 1.00 0.00 O
887
+ ATOM 886 N HIS A 110 -21.420 -9.853 3.197 1.00 0.00 N
888
+ ATOM 887 CA HIS A 110 -20.786 -9.879 1.884 1.00 0.00 C
889
+ ATOM 888 C HIS A 110 -21.798 -9.598 0.778 1.00 0.00 C
890
+ ATOM 889 CB HIS A 110 -20.106 -11.228 1.643 1.00 0.00 C
891
+ ATOM 890 O HIS A 110 -22.734 -10.374 0.575 1.00 0.00 O
892
+ ATOM 891 CG HIS A 110 -19.009 -11.528 2.613 1.00 0.00 C
893
+ ATOM 892 CD2 HIS A 110 -18.678 -12.673 3.256 1.00 0.00 C
894
+ ATOM 893 ND1 HIS A 110 -18.098 -10.579 3.023 1.00 0.00 N
895
+ ATOM 894 CE1 HIS A 110 -17.252 -11.129 3.878 1.00 0.00 C
896
+ ATOM 895 NE2 HIS A 110 -17.583 -12.399 4.037 1.00 0.00 N
897
+ ATOM 896 N ARG A 111 -21.604 -8.533 0.044 1.00 0.00 N
898
+ ATOM 897 CA ARG A 111 -22.377 -8.292 -1.170 1.00 0.00 C
899
+ ATOM 898 C ARG A 111 -21.654 -8.839 -2.397 1.00 0.00 C
900
+ ATOM 899 CB ARG A 111 -22.650 -6.797 -1.347 1.00 0.00 C
901
+ ATOM 900 O ARG A 111 -22.291 -9.197 -3.390 1.00 0.00 O
902
+ ATOM 901 CG ARG A 111 -23.497 -6.191 -0.239 1.00 0.00 C
903
+ ATOM 902 CD ARG A 111 -23.696 -4.695 -0.436 1.00 0.00 C
904
+ ATOM 903 NE ARG A 111 -24.328 -4.077 0.726 1.00 0.00 N
905
+ ATOM 904 NH1 ARG A 111 -24.098 -1.911 -0.041 1.00 0.00 N
906
+ ATOM 905 NH2 ARG A 111 -25.091 -2.314 1.985 1.00 0.00 N
907
+ ATOM 906 CZ ARG A 111 -24.504 -2.769 0.887 1.00 0.00 C
908
+ ATOM 907 N VAL A 112 -20.353 -8.831 -2.278 1.00 0.00 N
909
+ ATOM 908 CA VAL A 112 -19.511 -9.557 -3.224 1.00 0.00 C
910
+ ATOM 909 C VAL A 112 -19.088 -10.893 -2.620 1.00 0.00 C
911
+ ATOM 910 CB VAL A 112 -18.267 -8.732 -3.623 1.00 0.00 C
912
+ ATOM 911 O VAL A 112 -18.336 -10.929 -1.642 1.00 0.00 O
913
+ ATOM 912 CG1 VAL A 112 -17.353 -9.544 -4.540 1.00 0.00 C
914
+ ATOM 913 CG2 VAL A 112 -18.685 -7.428 -4.298 1.00 0.00 C
915
+ ATOM 914 N LYS A 113 -19.529 -11.954 -3.264 1.00 0.00 N
916
+ ATOM 915 CA LYS A 113 -19.425 -13.269 -2.638 1.00 0.00 C
917
+ ATOM 916 C LYS A 113 -18.104 -13.945 -2.995 1.00 0.00 C
918
+ ATOM 917 CB LYS A 113 -20.598 -14.157 -3.057 1.00 0.00 C
919
+ ATOM 918 O LYS A 113 -17.624 -14.811 -2.261 1.00 0.00 O
920
+ ATOM 919 CG LYS A 113 -21.958 -13.630 -2.628 1.00 0.00 C
921
+ ATOM 920 CD LYS A 113 -22.092 -13.597 -1.111 1.00 0.00 C
922
+ ATOM 921 CE LYS A 113 -23.497 -13.196 -0.681 1.00 0.00 C
923
+ ATOM 922 NZ LYS A 113 -23.605 -13.060 0.803 1.00 0.00 N
924
+ ATOM 923 N LYS A 114 -17.600 -13.519 -4.099 1.00 0.00 N
925
+ ATOM 924 CA LYS A 114 -16.318 -14.106 -4.476 1.00 0.00 C
926
+ ATOM 925 C LYS A 114 -15.166 -13.446 -3.723 1.00 0.00 C
927
+ ATOM 926 CB LYS A 114 -16.095 -13.986 -5.985 1.00 0.00 C
928
+ ATOM 927 O LYS A 114 -14.423 -12.645 -4.294 1.00 0.00 O
929
+ ATOM 928 CG LYS A 114 -17.018 -14.862 -6.819 1.00 0.00 C
930
+ ATOM 929 CD LYS A 114 -16.683 -14.774 -8.302 1.00 0.00 C
931
+ ATOM 930 CE LYS A 114 -17.636 -15.613 -9.143 1.00 0.00 C
932
+ ATOM 931 NZ LYS A 114 -17.364 -15.464 -10.603 1.00 0.00 N
933
+ ATOM 932 N LEU A 115 -14.950 -13.943 -2.521 1.00 0.00 N
934
+ ATOM 933 CA LEU A 115 -14.050 -13.301 -1.570 1.00 0.00 C
935
+ ATOM 934 C LEU A 115 -12.596 -13.465 -2.002 1.00 0.00 C
936
+ ATOM 935 CB LEU A 115 -14.247 -13.883 -0.168 1.00 0.00 C
937
+ ATOM 936 O LEU A 115 -11.759 -12.606 -1.716 1.00 0.00 O
938
+ ATOM 937 CG LEU A 115 -15.605 -13.627 0.487 1.00 0.00 C
939
+ ATOM 938 CD1 LEU A 115 -15.646 -14.248 1.880 1.00 0.00 C
940
+ ATOM 939 CD2 LEU A 115 -15.894 -12.132 0.554 1.00 0.00 C
941
+ ATOM 940 N ASN A 116 -12.375 -14.501 -2.722 1.00 0.00 N
942
+ ATOM 941 CA ASN A 116 -11.014 -14.792 -3.160 1.00 0.00 C
943
+ ATOM 942 C ASN A 116 -10.555 -13.818 -4.242 1.00 0.00 C
944
+ ATOM 943 CB ASN A 116 -10.908 -16.233 -3.663 1.00 0.00 C
945
+ ATOM 944 O ASN A 116 -9.387 -13.828 -4.636 1.00 0.00 O
946
+ ATOM 945 CG ASN A 116 -11.795 -16.500 -4.863 1.00 0.00 C
947
+ ATOM 946 ND2 ASN A 116 -11.362 -17.407 -5.731 1.00 0.00 N
948
+ ATOM 947 OD1 ASN A 116 -12.860 -15.894 -5.010 1.00 0.00 O
949
+ ATOM 948 N GLU A 117 -11.413 -12.987 -4.730 1.00 0.00 N
950
+ ATOM 949 CA GLU A 117 -11.064 -11.995 -5.743 1.00 0.00 C
951
+ ATOM 950 C GLU A 117 -10.746 -10.645 -5.106 1.00 0.00 C
952
+ ATOM 951 CB GLU A 117 -12.197 -11.844 -6.760 1.00 0.00 C
953
+ ATOM 952 O GLU A 117 -10.343 -9.707 -5.797 1.00 0.00 O
954
+ ATOM 953 CG GLU A 117 -12.412 -13.074 -7.629 1.00 0.00 C
955
+ ATOM 954 CD GLU A 117 -13.497 -12.887 -8.678 1.00 0.00 C
956
+ ATOM 955 OE1 GLU A 117 -14.138 -11.812 -8.702 1.00 0.00 O
957
+ ATOM 956 OE2 GLU A 117 -13.709 -13.823 -9.481 1.00 0.00 O
958
+ ATOM 957 N ILE A 118 -11.020 -10.534 -3.844 1.00 0.00 N
959
+ ATOM 958 CA ILE A 118 -10.656 -9.314 -3.132 1.00 0.00 C
960
+ ATOM 959 C ILE A 118 -9.157 -9.312 -2.843 1.00 0.00 C
961
+ ATOM 960 CB ILE A 118 -11.455 -9.166 -1.818 1.00 0.00 C
962
+ ATOM 961 O ILE A 118 -8.701 -9.952 -1.893 1.00 0.00 O
963
+ ATOM 962 CG1 ILE A 118 -12.961 -9.229 -2.100 1.00 0.00 C
964
+ ATOM 963 CG2 ILE A 118 -11.086 -7.861 -1.105 1.00 0.00 C
965
+ ATOM 964 CD1 ILE A 118 -13.818 -9.385 -0.851 1.00 0.00 C
966
+ ATOM 965 N SER A 119 -8.385 -8.603 -3.593 1.00 0.00 N
967
+ ATOM 966 CA SER A 119 -6.944 -8.830 -3.625 1.00 0.00 C
968
+ ATOM 967 C SER A 119 -6.188 -7.679 -2.970 1.00 0.00 C
969
+ ATOM 968 CB SER A 119 -6.462 -9.015 -5.065 1.00 0.00 C
970
+ ATOM 969 O SER A 119 -4.964 -7.730 -2.836 1.00 0.00 O
971
+ ATOM 970 OG SER A 119 -6.797 -7.887 -5.855 1.00 0.00 O
972
+ ATOM 971 N LYS A 120 -6.838 -6.633 -2.530 1.00 0.00 N
973
+ ATOM 972 CA LYS A 120 -6.132 -5.523 -1.897 1.00 0.00 C
974
+ ATOM 973 C LYS A 120 -7.043 -4.767 -0.934 1.00 0.00 C
975
+ ATOM 974 CB LYS A 120 -5.578 -4.566 -2.954 1.00 0.00 C
976
+ ATOM 975 O LYS A 120 -8.263 -4.744 -1.116 1.00 0.00 O
977
+ ATOM 976 CG LYS A 120 -6.649 -3.866 -3.777 1.00 0.00 C
978
+ ATOM 977 CD LYS A 120 -6.036 -2.959 -4.837 1.00 0.00 C
979
+ ATOM 978 CE LYS A 120 -7.106 -2.267 -5.669 1.00 0.00 C
980
+ ATOM 979 NZ LYS A 120 -6.511 -1.358 -6.693 1.00 0.00 N
981
+ ATOM 980 N LEU A 121 -6.465 -4.244 0.073 1.00 0.00 N
982
+ ATOM 981 CA LEU A 121 -7.098 -3.323 1.010 1.00 0.00 C
983
+ ATOM 982 C LEU A 121 -6.493 -1.927 0.893 1.00 0.00 C
984
+ ATOM 983 CB LEU A 121 -6.954 -3.835 2.446 1.00 0.00 C
985
+ ATOM 984 O LEU A 121 -5.328 -1.719 1.243 1.00 0.00 O
986
+ ATOM 985 CG LEU A 121 -7.423 -2.890 3.554 1.00 0.00 C
987
+ ATOM 986 CD1 LEU A 121 -8.918 -2.622 3.424 1.00 0.00 C
988
+ ATOM 987 CD2 LEU A 121 -7.095 -3.470 4.925 1.00 0.00 C
989
+ ATOM 988 N GLY A 122 -7.249 -0.998 0.269 1.00 0.00 N
990
+ ATOM 989 CA GLY A 122 -6.856 0.401 0.250 1.00 0.00 C
991
+ ATOM 990 C GLY A 122 -7.147 1.122 1.553 1.00 0.00 C
992
+ ATOM 991 O GLY A 122 -8.263 1.051 2.072 1.00 0.00 O
993
+ ATOM 992 N ILE A 123 -6.187 1.785 2.127 1.00 0.00 N
994
+ ATOM 993 CA ILE A 123 -6.297 2.578 3.347 1.00 0.00 C
995
+ ATOM 994 C ILE A 123 -5.993 4.042 3.040 1.00 0.00 C
996
+ ATOM 995 CB ILE A 123 -5.351 2.052 4.450 1.00 0.00 C
997
+ ATOM 996 O ILE A 123 -4.923 4.365 2.520 1.00 0.00 O
998
+ ATOM 997 CG1 ILE A 123 -5.581 0.555 4.683 1.00 0.00 C
999
+ ATOM 998 CG2 ILE A 123 -5.540 2.845 5.746 1.00 0.00 C
1000
+ ATOM 999 CD1 ILE A 123 -4.441 -0.140 5.414 1.00 0.00 C
1001
+ ATOM 1000 N SER A 124 -6.939 4.932 3.287 1.00 0.00 N
1002
+ ATOM 1001 CA SER A 124 -6.748 6.342 2.964 1.00 0.00 C
1003
+ ATOM 1002 C SER A 124 -7.461 7.241 3.971 1.00 0.00 C
1004
+ ATOM 1003 CB SER A 124 -7.254 6.644 1.553 1.00 0.00 C
1005
+ ATOM 1004 O SER A 124 -8.223 6.758 4.810 1.00 0.00 O
1006
+ ATOM 1005 OG SER A 124 -8.652 6.427 1.463 1.00 0.00 O
1007
+ ATOM 1006 N GLY A 125 -7.218 8.456 3.889 1.00 0.00 N
1008
+ ATOM 1007 CA GLY A 125 -7.845 9.452 4.744 1.00 0.00 C
1009
+ ATOM 1008 C GLY A 125 -6.871 10.124 5.692 1.00 0.00 C
1010
+ ATOM 1009 O GLY A 125 -5.659 10.107 5.461 1.00 0.00 O
1011
+ ATOM 1010 N ASP A 126 -7.376 10.770 6.601 1.00 0.00 N
1012
+ ATOM 1011 CA ASP A 126 -6.659 11.684 7.485 1.00 0.00 C
1013
+ ATOM 1012 C ASP A 126 -6.099 10.946 8.700 1.00 0.00 C
1014
+ ATOM 1013 CB ASP A 126 -7.574 12.824 7.937 1.00 0.00 C
1015
+ ATOM 1014 O ASP A 126 -6.493 11.222 9.835 1.00 0.00 O
1016
+ ATOM 1015 CG ASP A 126 -8.153 13.614 6.776 1.00 0.00 C
1017
+ ATOM 1016 OD1 ASP A 126 -7.390 14.030 5.879 1.00 0.00 O
1018
+ ATOM 1017 OD2 ASP A 126 -9.386 13.823 6.760 1.00 0.00 O
1019
+ ATOM 1018 N ILE A 127 -5.061 10.100 8.449 1.00 0.00 N
1020
+ ATOM 1019 CA ILE A 127 -4.472 9.303 9.519 1.00 0.00 C
1021
+ ATOM 1020 C ILE A 127 -2.961 9.208 9.319 1.00 0.00 C
1022
+ ATOM 1021 CB ILE A 127 -5.094 7.890 9.581 1.00 0.00 C
1023
+ ATOM 1022 O ILE A 127 -2.464 9.381 8.204 1.00 0.00 O
1024
+ ATOM 1023 CG1 ILE A 127 -4.823 7.130 8.278 1.00 0.00 C
1025
+ ATOM 1024 CG2 ILE A 127 -6.597 7.974 9.864 1.00 0.00 C
1026
+ ATOM 1025 CD1 ILE A 127 -5.224 5.661 8.323 1.00 0.00 C
1027
+ ATOM 1026 N ASP A 128 -2.268 8.970 10.320 1.00 0.00 N
1028
+ ATOM 1027 CA ASP A 128 -0.904 8.451 10.339 1.00 0.00 C
1029
+ ATOM 1028 C ASP A 128 -0.892 6.943 10.582 1.00 0.00 C
1030
+ ATOM 1029 CB ASP A 128 -0.073 9.163 11.409 1.00 0.00 C
1031
+ ATOM 1030 O ASP A 128 -1.223 6.484 11.677 1.00 0.00 O
1032
+ ATOM 1031 CG ASP A 128 0.078 10.651 11.150 1.00 0.00 C
1033
+ ATOM 1032 OD1 ASP A 128 0.422 11.041 10.013 1.00 0.00 O
1034
+ ATOM 1033 OD2 ASP A 128 -0.146 11.442 12.092 1.00 0.00 O
1035
+ ATOM 1034 N LEU A 129 -0.590 6.265 9.575 1.00 0.00 N
1036
+ ATOM 1035 CA LEU A 129 -0.663 4.808 9.605 1.00 0.00 C
1037
+ ATOM 1036 C LEU A 129 0.604 4.213 10.211 1.00 0.00 C
1038
+ ATOM 1037 CB LEU A 129 -0.877 4.254 8.193 1.00 0.00 C
1039
+ ATOM 1038 O LEU A 129 1.707 4.452 9.715 1.00 0.00 O
1040
+ ATOM 1039 CG LEU A 129 -1.075 2.742 8.083 1.00 0.00 C
1041
+ ATOM 1040 CD1 LEU A 129 -2.312 2.311 8.863 1.00 0.00 C
1042
+ ATOM 1041 CD2 LEU A 129 -1.187 2.324 6.620 1.00 0.00 C
1043
+ ATOM 1042 N THR A 130 0.465 3.425 11.258 1.00 0.00 N
1044
+ ATOM 1043 CA THR A 130 1.586 2.781 11.935 1.00 0.00 C
1045
+ ATOM 1044 C THR A 130 1.855 1.401 11.341 1.00 0.00 C
1046
+ ATOM 1045 CB THR A 130 1.325 2.651 13.447 1.00 0.00 C
1047
+ ATOM 1046 O THR A 130 2.999 1.066 11.029 1.00 0.00 O
1048
+ ATOM 1047 CG2 THR A 130 2.531 2.049 14.163 1.00 0.00 C
1049
+ ATOM 1048 OG1 THR A 130 1.057 3.947 13.994 1.00 0.00 O
1050
+ ATOM 1049 N SER A 131 0.802 0.616 11.241 1.00 0.00 N
1051
+ ATOM 1050 CA SER A 131 0.946 -0.721 10.672 1.00 0.00 C
1052
+ ATOM 1051 C SER A 131 -0.365 -1.206 10.062 1.00 0.00 C
1053
+ ATOM 1052 CB SER A 131 1.418 -1.710 11.738 1.00 0.00 C
1054
+ ATOM 1053 O SER A 131 -1.442 -0.732 10.433 1.00 0.00 O
1055
+ ATOM 1054 OG SER A 131 0.367 -2.017 12.639 1.00 0.00 O
1056
+ ATOM 1055 N ALA A 132 -0.260 -2.082 9.098 1.00 0.00 N
1057
+ ATOM 1056 CA ALA A 132 -1.347 -2.811 8.449 1.00 0.00 C
1058
+ ATOM 1057 C ALA A 132 -0.934 -4.246 8.136 1.00 0.00 C
1059
+ ATOM 1058 CB ALA A 132 -1.779 -2.095 7.172 1.00 0.00 C
1060
+ ATOM 1059 O ALA A 132 0.022 -4.475 7.391 1.00 0.00 O
1061
+ ATOM 1060 N SER A 133 -1.685 -5.208 8.802 1.00 0.00 N
1062
+ ATOM 1061 CA SER A 133 -1.275 -6.603 8.669 1.00 0.00 C
1063
+ ATOM 1062 C SER A 133 -2.475 -7.541 8.752 1.00 0.00 C
1064
+ ATOM 1063 CB SER A 133 -0.256 -6.968 9.748 1.00 0.00 C
1065
+ ATOM 1064 O SER A 133 -3.581 -7.115 9.087 1.00 0.00 O
1066
+ ATOM 1065 OG SER A 133 -0.835 -6.879 11.038 1.00 0.00 O
1067
+ ATOM 1066 N TYR A 134 -2.248 -8.793 8.357 1.00 0.00 N
1068
+ ATOM 1067 CA TYR A 134 -3.304 -9.783 8.548 1.00 0.00 C
1069
+ ATOM 1068 C TYR A 134 -2.726 -11.115 9.010 1.00 0.00 C
1070
+ ATOM 1069 CB TYR A 134 -4.097 -9.979 7.252 1.00 0.00 C
1071
+ ATOM 1070 O TYR A 134 -1.545 -11.396 8.792 1.00 0.00 O
1072
+ ATOM 1071 CG TYR A 134 -3.255 -10.448 6.091 1.00 0.00 C
1073
+ ATOM 1072 CD1 TYR A 134 -2.681 -9.535 5.208 1.00 0.00 C
1074
+ ATOM 1073 CD2 TYR A 134 -3.032 -11.803 5.873 1.00 0.00 C
1075
+ ATOM 1074 CE1 TYR A 134 -1.906 -9.963 4.135 1.00 0.00 C
1076
+ ATOM 1075 CE2 TYR A 134 -2.259 -12.243 4.803 1.00 0.00 C
1077
+ ATOM 1076 OH TYR A 134 -0.935 -11.745 2.880 1.00 0.00 O
1078
+ ATOM 1077 CZ TYR A 134 -1.701 -11.316 3.942 1.00 0.00 C
1079
+ ATOM 1078 N THR A 135 -3.533 -11.829 9.725 1.00 0.00 N
1080
+ ATOM 1079 CA THR A 135 -3.224 -13.169 10.215 1.00 0.00 C
1081
+ ATOM 1080 C THR A 135 -4.440 -14.083 10.094 1.00 0.00 C
1082
+ ATOM 1081 CB THR A 135 -2.749 -13.134 11.679 1.00 0.00 C
1083
+ ATOM 1082 O THR A 135 -5.573 -13.607 9.994 1.00 0.00 O
1084
+ ATOM 1083 CG2 THR A 135 -3.868 -12.678 12.609 1.00 0.00 C
1085
+ ATOM 1084 OG1 THR A 135 -2.322 -14.444 12.069 1.00 0.00 O
1086
+ ATOM 1085 N MET A 136 -4.199 -15.424 10.032 1.00 0.00 N
1087
+ ATOM 1086 CA MET A 136 -5.277 -16.408 10.098 1.00 0.00 C
1088
+ ATOM 1087 C MET A 136 -5.548 -16.821 11.540 1.00 0.00 C
1089
+ ATOM 1088 CB MET A 136 -4.934 -17.638 9.255 1.00 0.00 C
1090
+ ATOM 1089 O MET A 136 -4.616 -17.106 12.294 1.00 0.00 O
1091
+ ATOM 1090 CG MET A 136 -4.681 -17.327 7.790 1.00 0.00 C
1092
+ ATOM 1091 SD MET A 136 -6.137 -16.568 6.970 1.00 0.00 S
1093
+ ATOM 1092 CE MET A 136 -7.279 -17.978 6.979 1.00 0.00 C
1094
+ ATOM 1093 N ILE A 137 -6.911 -16.807 11.862 1.00 0.00 N
1095
+ ATOM 1094 CA ILE A 137 -7.190 -17.160 13.250 1.00 0.00 C
1096
+ ATOM 1095 C ILE A 137 -8.151 -18.346 13.297 1.00 0.00 C
1097
+ ATOM 1096 CB ILE A 137 -7.776 -15.963 14.031 1.00 0.00 C
1098
+ ATOM 1097 O ILE A 137 -8.878 -18.601 12.334 1.00 0.00 O
1099
+ ATOM 1098 CG1 ILE A 137 -9.101 -15.515 13.405 1.00 0.00 C
1100
+ ATOM 1099 CG2 ILE A 137 -6.774 -14.806 14.079 1.00 0.00 C
1101
+ ATOM 1100 CD1 ILE A 137 -9.892 -14.537 14.264 1.00 0.00 C
1102
+ ATOM 1101 OXT ILE A 137 -7.709 -18.566 14.404 1.00 0.00 O
1103
+ TER 1102 ILE A 137
1104
+ END
6qge/6qge_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qge/6qge_rdkit_ligand.pdb ADDED
@@ -0,0 +1,100 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qge_ligand
2
+ HETATM 1 C1 UNL 1 -2.986 0.724 -0.697 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -0.376 0.245 0.030 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 1.628 2.292 -0.651 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 3.878 1.765 -1.605 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 8.067 -0.630 -0.278 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 8.708 -1.804 -0.626 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 9.895 -2.149 -0.023 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 9.831 -0.190 1.268 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 -8.060 -1.697 2.756 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 -7.403 -1.359 1.592 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 -8.167 -1.181 0.459 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 -9.546 -1.334 0.471 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 -10.206 -1.673 1.634 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 -9.449 -1.852 2.772 1.00 0.00 C
16
+ HETATM 15 C15 UNL 1 -5.950 -1.199 1.587 1.00 0.00 C
17
+ HETATM 16 C16 UNL 1 -5.118 -0.870 0.551 1.00 0.00 C
18
+ HETATM 17 C17 UNL 1 -1.841 0.821 -1.688 1.00 0.00 C
19
+ HETATM 18 C18 UNL 1 -2.685 -0.515 0.159 1.00 0.00 C
20
+ HETATM 19 C19 UNL 1 -1.480 -0.186 0.972 1.00 0.00 C
21
+ HETATM 20 C20 UNL 1 -1.634 2.258 -2.116 1.00 0.00 C
22
+ HETATM 21 C21 UNL 1 2.811 1.360 -0.610 1.00 0.00 C
23
+ HETATM 22 C22 UNL 1 6.056 0.852 -0.689 1.00 0.00 C
24
+ HETATM 23 F1 UNL 1 -10.101 -2.187 3.924 1.00 0.00 F
25
+ HETATM 24 N1 UNL 1 -5.148 -1.357 2.654 1.00 0.00 N
26
+ HETATM 25 N2 UNL 1 -3.890 -1.132 2.274 1.00 0.00 N
27
+ HETATM 26 N3 UNL 1 -3.836 -0.831 0.991 1.00 0.00 N
28
+ HETATM 27 N4 UNL 1 4.965 0.811 -1.488 1.00 0.00 N
29
+ HETATM 28 N5 UNL 1 5.076 -0.314 -2.176 1.00 0.00 N
30
+ HETATM 29 N6 UNL 1 6.169 -0.969 -1.849 1.00 0.00 N
31
+ HETATM 30 O1 UNL 1 -0.705 0.185 -1.291 1.00 0.00 O
32
+ HETATM 31 O2 UNL 1 -2.896 1.811 0.167 1.00 0.00 O
33
+ HETATM 32 O3 UNL 1 -2.884 2.752 -2.488 1.00 0.00 O
34
+ HETATM 33 O4 UNL 1 -1.149 -1.263 1.765 1.00 0.00 O
35
+ HETATM 34 O5 UNL 1 2.412 0.054 -0.885 1.00 0.00 O
36
+ HETATM 35 S1 UNL 1 0.340 1.833 0.531 1.00 0.00 S
37
+ HETATM 36 C23 UNL 1 6.823 -0.268 -0.910 1.00 0.00 C
38
+ HETATM 37 C24 UNL 1 10.495 -1.349 0.946 1.00 0.00 C
39
+ HETATM 38 C25 UNL 1 8.648 0.173 0.680 1.00 0.00 C
40
+ HETATM 39 F2 UNL 1 10.572 -3.296 -0.327 1.00 0.00 F
41
+ HETATM 40 H1 UNL 1 -3.970 0.641 -1.181 1.00 0.00 H
42
+ HETATM 41 H2 UNL 1 0.442 -0.520 0.194 1.00 0.00 H
43
+ HETATM 42 H3 UNL 1 1.236 2.282 -1.707 1.00 0.00 H
44
+ HETATM 43 H4 UNL 1 1.948 3.339 -0.475 1.00 0.00 H
45
+ HETATM 44 H5 UNL 1 4.289 2.749 -1.261 1.00 0.00 H
46
+ HETATM 45 H6 UNL 1 3.491 1.860 -2.628 1.00 0.00 H
47
+ HETATM 46 H7 UNL 1 8.283 -2.460 -1.373 1.00 0.00 H
48
+ HETATM 47 H8 UNL 1 10.278 0.452 2.020 1.00 0.00 H
49
+ HETATM 48 H9 UNL 1 -7.498 -1.842 3.654 1.00 0.00 H
50
+ HETATM 49 H10 UNL 1 -7.641 -0.916 -0.448 1.00 0.00 H
51
+ HETATM 50 H11 UNL 1 -10.126 -1.188 -0.440 1.00 0.00 H
52
+ HETATM 51 H12 UNL 1 -11.284 -1.794 1.652 1.00 0.00 H
53
+ HETATM 52 H13 UNL 1 -5.417 -0.670 -0.461 1.00 0.00 H
54
+ HETATM 53 H14 UNL 1 -2.212 0.287 -2.614 1.00 0.00 H
55
+ HETATM 54 H15 UNL 1 -2.490 -1.378 -0.497 1.00 0.00 H
56
+ HETATM 55 H16 UNL 1 -1.708 0.707 1.615 1.00 0.00 H
57
+ HETATM 56 H17 UNL 1 -1.246 2.904 -1.331 1.00 0.00 H
58
+ HETATM 57 H18 UNL 1 -0.990 2.273 -3.015 1.00 0.00 H
59
+ HETATM 58 H19 UNL 1 3.253 1.393 0.389 1.00 0.00 H
60
+ HETATM 59 H20 UNL 1 6.289 1.638 0.011 1.00 0.00 H
61
+ HETATM 60 H21 UNL 1 -3.770 1.975 0.580 1.00 0.00 H
62
+ HETATM 61 H22 UNL 1 -3.295 3.157 -1.701 1.00 0.00 H
63
+ HETATM 62 H23 UNL 1 -1.433 -2.095 1.311 1.00 0.00 H
64
+ HETATM 63 H24 UNL 1 3.128 -0.588 -0.656 1.00 0.00 H
65
+ HETATM 64 H25 UNL 1 11.434 -1.622 1.423 1.00 0.00 H
66
+ HETATM 65 H26 UNL 1 8.146 1.088 0.948 1.00 0.00 H
67
+ CONECT 1 17 18 31 40
68
+ CONECT 2 19 30 35 41
69
+ CONECT 3 21 35 42 43
70
+ CONECT 4 21 27 44 45
71
+ CONECT 5 6 6 36 38
72
+ CONECT 6 7 46
73
+ CONECT 7 37 37 39
74
+ CONECT 8 37 38 38 47
75
+ CONECT 9 10 10 14 48
76
+ CONECT 10 11 15
77
+ CONECT 11 12 12 49
78
+ CONECT 12 13 50
79
+ CONECT 13 14 14 51
80
+ CONECT 14 23
81
+ CONECT 15 16 16 24
82
+ CONECT 16 26 52
83
+ CONECT 17 20 30 53
84
+ CONECT 18 19 26 54
85
+ CONECT 19 33 55
86
+ CONECT 20 32 56 57
87
+ CONECT 21 34 58
88
+ CONECT 22 27 36 36 59
89
+ CONECT 24 25 25
90
+ CONECT 25 26
91
+ CONECT 27 28
92
+ CONECT 28 29 29
93
+ CONECT 29 36
94
+ CONECT 31 60
95
+ CONECT 32 61
96
+ CONECT 33 62
97
+ CONECT 34 63
98
+ CONECT 37 64
99
+ CONECT 38 65
100
+ END
6qgf/6qgf_ligand.mol2 ADDED
@@ -0,0 +1,150 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:16:31 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qgf_ligand
7
+ 65 69 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
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14
+ 2 C03 -11.9410 8.7720 -0.6720 C.ar 1 J0T -0.0640
15
+ 3 C05 -10.7730 9.0140 1.4570 C.ar 1 J0T -0.0325
16
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17
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18
+ 6 C12 -15.7010 8.2810 -0.4270 C.2 1 J0T 0.0882
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+ 7 C14 -18.3720 6.5730 -0.8440 C.3 1 J0T 0.1195
20
+ 8 C15 -17.8720 7.7960 -1.6490 C.3 1 J0T 0.1476
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+ 9 C16 -18.6890 9.0550 -1.2550 C.3 1 J0T 0.1266
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+ 10 C24 -22.7660 9.6360 -1.1750 C.3 1 J0T 0.0251
23
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24
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26
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27
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28
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29
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30
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31
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32
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33
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34
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35
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36
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
+ 37 O22 -18.2190 10.0440 -2.1340 O.3 1 J0T -0.3849
50
+ 38 O26 -23.3570 9.2370 1.1030 O.3 1 J0T -0.3879
51
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52
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53
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54
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55
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56
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57
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58
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59
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60
+ 48 H9 -29.2991 6.9708 5.4456 H 1 J0T 0.0596
61
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62
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63
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64
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65
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66
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67
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68
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69
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71
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72
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73
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74
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75
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77
+ 65 H26 -23.2886 8.3097 0.9084 H 1 J0T 0.2099
78
+ @<TRIPOS>BOND
79
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80
+ 2 5 1 1
81
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82
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83
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148
+ @<TRIPOS>SUBSTRUCTURE
149
+ 1 J0T 1
150
+
6qgf/6qgf_ligand.sdf ADDED
@@ -0,0 +1,140 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 6qgf_ligand
2
+ -I-interpret-
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+
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+ 65 69 0 0 0 0 0 0 0 0999 V2000
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42
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43
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44
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45
+ -9.8733 9.1967 2.0445 H 0 0 0 0 0
46
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47
+ -17.8509 5.6657 -1.1496 H 0 0 0 0 0
48
+ -18.0511 7.6323 -2.7116 H 0 0 0 0 0
49
+ -18.5795 9.3600 -0.2143 H 0 0 0 0 0
50
+ -23.1029 10.1868 -2.0532 H 0 0 0 0 0
51
+ -22.7440 8.5551 -1.3141 H 0 0 0 0 0
52
+ -29.2980 6.9659 5.4489 H 0 0 0 0 0
53
+ -14.1186 8.3020 1.8762 H 0 0 0 0 0
54
+ -9.8343 9.1632 -0.4711 H 0 0 0 0 0
55
+ -20.0820 6.2409 -2.1438 H 0 0 0 0 0
56
+ -20.3619 8.5809 -2.5369 H 0 0 0 0 0
57
+ -20.2890 5.5403 0.8625 H 0 0 0 0 0
58
+ -19.8613 4.3732 -0.3704 H 0 0 0 0 0
59
+ -23.7887 10.9967 0.1578 H 0 0 0 0 0
60
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61
+ -25.3233 9.8134 -1.4807 H 0 0 0 0 0
62
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63
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64
+ -31.3122 8.3699 5.9363 H 0 0 0 0 0
65
+ -27.7669 7.5274 3.6200 H 0 0 0 0 0
66
+ -18.4481 6.0515 1.0558 H 0 0 0 0 0
67
+ -22.1444 4.4249 0.0317 H 0 0 0 0 0
68
+ -18.6766 10.8696 -1.9592 H 0 0 0 0 0
69
+ -23.9783 9.4219 1.8111 H 0 0 0 0 0
70
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71
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72
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100
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107
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108
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110
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111
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112
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113
+ 2 40 1 0 0 0
114
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115
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116
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117
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118
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121
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122
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123
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124
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126
+ 18 53 1 0 0 0
127
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128
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129
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130
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131
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132
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133
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134
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135
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136
+ 36 63 1 0 0 0
137
+ 37 64 1 0 0 0
138
+ 38 65 1 0 0 0
139
+ M END
140
+ $$$$
6qgf/6qgf_protein_alphafold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-08-19
2
+ ATOM 1 N PRO A 1 6.551 5.844 9.789 1.00 0.00 N
3
+ ATOM 2 CA PRO A 1 5.141 5.906 9.393 1.00 0.00 C
4
+ ATOM 3 C PRO A 1 4.917 5.492 7.940 1.00 0.00 C
5
+ ATOM 4 CB PRO A 1 4.781 7.379 9.603 1.00 0.00 C
6
+ ATOM 5 O PRO A 1 5.774 5.735 7.086 1.00 0.00 O
7
+ ATOM 6 CG PRO A 1 6.091 8.064 9.822 1.00 0.00 C
8
+ ATOM 7 CD PRO A 1 7.144 7.020 10.055 1.00 0.00 C
9
+ ATOM 8 N LEU A 2 3.854 4.768 7.621 1.00 0.00 N
10
+ ATOM 9 CA LEU A 2 3.485 4.424 6.252 1.00 0.00 C
11
+ ATOM 10 C LEU A 2 2.840 5.615 5.549 1.00 0.00 C
12
+ ATOM 11 CB LEU A 2 2.529 3.229 6.239 1.00 0.00 C
13
+ ATOM 12 O LEU A 2 2.110 6.388 6.171 1.00 0.00 O
14
+ ATOM 13 CG LEU A 2 3.057 1.932 6.853 1.00 0.00 C
15
+ ATOM 14 CD1 LEU A 2 1.958 0.875 6.886 1.00 0.00 C
16
+ ATOM 15 CD2 LEU A 2 4.268 1.427 6.078 1.00 0.00 C
17
+ ATOM 16 N ILE A 3 3.078 5.728 4.309 1.00 0.00 N
18
+ ATOM 17 CA ILE A 3 2.561 6.864 3.554 1.00 0.00 C
19
+ ATOM 18 C ILE A 3 1.132 6.575 3.101 1.00 0.00 C
20
+ ATOM 19 CB ILE A 3 3.455 7.184 2.335 1.00 0.00 C
21
+ ATOM 20 O ILE A 3 0.862 5.533 2.501 1.00 0.00 O
22
+ ATOM 21 CG1 ILE A 3 4.875 7.535 2.791 1.00 0.00 C
23
+ ATOM 22 CG2 ILE A 3 2.849 8.321 1.505 1.00 0.00 C
24
+ ATOM 23 CD1 ILE A 3 5.877 7.665 1.652 1.00 0.00 C
25
+ ATOM 24 N VAL A 4 0.232 7.506 3.272 1.00 0.00 N
26
+ ATOM 25 CA VAL A 4 -1.171 7.417 2.883 1.00 0.00 C
27
+ ATOM 26 C VAL A 4 -1.428 8.299 1.663 1.00 0.00 C
28
+ ATOM 27 CB VAL A 4 -2.109 7.824 4.042 1.00 0.00 C
29
+ ATOM 28 O VAL A 4 -0.971 9.444 1.610 1.00 0.00 O
30
+ ATOM 29 CG1 VAL A 4 -3.566 7.824 3.583 1.00 0.00 C
31
+ ATOM 30 CG2 VAL A 4 -1.921 6.889 5.234 1.00 0.00 C
32
+ ATOM 31 N PRO A 5 -2.065 7.805 0.610 1.00 0.00 N
33
+ ATOM 32 CA PRO A 5 -2.771 6.525 0.533 1.00 0.00 C
34
+ ATOM 33 C PRO A 5 -1.823 5.329 0.503 1.00 0.00 C
35
+ ATOM 34 CB PRO A 5 -3.555 6.633 -0.778 1.00 0.00 C
36
+ ATOM 35 O PRO A 5 -0.719 5.425 -0.040 1.00 0.00 O
37
+ ATOM 36 CG PRO A 5 -2.758 7.571 -1.624 1.00 0.00 C
38
+ ATOM 37 CD PRO A 5 -2.077 8.564 -0.724 1.00 0.00 C
39
+ ATOM 38 N TYR A 6 -2.258 4.270 1.178 1.00 0.00 N
40
+ ATOM 39 CA TYR A 6 -1.488 3.038 1.315 1.00 0.00 C
41
+ ATOM 40 C TYR A 6 -2.252 1.850 0.744 1.00 0.00 C
42
+ ATOM 41 CB TYR A 6 -1.143 2.780 2.785 1.00 0.00 C
43
+ ATOM 42 O TYR A 6 -3.472 1.757 0.900 1.00 0.00 O
44
+ ATOM 43 CG TYR A 6 -0.315 1.537 3.005 1.00 0.00 C
45
+ ATOM 44 CD1 TYR A 6 -0.906 0.353 3.442 1.00 0.00 C
46
+ ATOM 45 CD2 TYR A 6 1.056 1.545 2.780 1.00 0.00 C
47
+ ATOM 46 CE1 TYR A 6 -0.146 -0.794 3.649 1.00 0.00 C
48
+ ATOM 47 CE2 TYR A 6 1.826 0.404 2.983 1.00 0.00 C
49
+ ATOM 48 OH TYR A 6 1.972 -1.892 3.619 1.00 0.00 O
50
+ ATOM 49 CZ TYR A 6 1.216 -0.760 3.416 1.00 0.00 C
51
+ ATOM 50 N ASN A 7 -1.533 0.903 0.099 1.00 0.00 N
52
+ ATOM 51 CA ASN A 7 -2.094 -0.340 -0.420 1.00 0.00 C
53
+ ATOM 52 C ASN A 7 -1.458 -1.560 0.240 1.00 0.00 C
54
+ ATOM 53 CB ASN A 7 -1.928 -0.412 -1.939 1.00 0.00 C
55
+ ATOM 54 O ASN A 7 -0.261 -1.803 0.082 1.00 0.00 O
56
+ ATOM 55 CG ASN A 7 -2.808 0.582 -2.671 1.00 0.00 C
57
+ ATOM 56 ND2 ASN A 7 -2.190 1.458 -3.454 1.00 0.00 N
58
+ ATOM 57 OD1 ASN A 7 -4.034 0.563 -2.533 1.00 0.00 O
59
+ ATOM 58 N LEU A 8 -2.267 -2.288 0.934 1.00 0.00 N
60
+ ATOM 59 CA LEU A 8 -1.868 -3.595 1.443 1.00 0.00 C
61
+ ATOM 60 C LEU A 8 -2.234 -4.698 0.454 1.00 0.00 C
62
+ ATOM 61 CB LEU A 8 -2.528 -3.868 2.796 1.00 0.00 C
63
+ ATOM 62 O LEU A 8 -3.414 -5.006 0.271 1.00 0.00 O
64
+ ATOM 63 CG LEU A 8 -2.182 -5.200 3.463 1.00 0.00 C
65
+ ATOM 64 CD1 LEU A 8 -0.690 -5.266 3.773 1.00 0.00 C
66
+ ATOM 65 CD2 LEU A 8 -3.006 -5.393 4.732 1.00 0.00 C
67
+ ATOM 66 N PRO A 9 -1.226 -5.338 -0.164 1.00 0.00 N
68
+ ATOM 67 CA PRO A 9 -1.529 -6.479 -1.029 1.00 0.00 C
69
+ ATOM 68 C PRO A 9 -2.030 -7.693 -0.251 1.00 0.00 C
70
+ ATOM 69 CB PRO A 9 -0.185 -6.779 -1.700 1.00 0.00 C
71
+ ATOM 70 O PRO A 9 -1.547 -7.968 0.851 1.00 0.00 O
72
+ ATOM 71 CG PRO A 9 0.844 -6.307 -0.723 1.00 0.00 C
73
+ ATOM 72 CD PRO A 9 0.265 -5.168 0.066 1.00 0.00 C
74
+ ATOM 73 N LEU A 10 -2.980 -8.359 -0.777 1.00 0.00 N
75
+ ATOM 74 CA LEU A 10 -3.538 -9.602 -0.255 1.00 0.00 C
76
+ ATOM 75 C LEU A 10 -3.391 -10.732 -1.270 1.00 0.00 C
77
+ ATOM 76 CB LEU A 10 -5.013 -9.417 0.109 1.00 0.00 C
78
+ ATOM 77 O LEU A 10 -4.376 -11.160 -1.876 1.00 0.00 O
79
+ ATOM 78 CG LEU A 10 -5.330 -8.301 1.106 1.00 0.00 C
80
+ ATOM 79 CD1 LEU A 10 -6.837 -8.094 1.209 1.00 0.00 C
81
+ ATOM 80 CD2 LEU A 10 -4.735 -8.622 2.474 1.00 0.00 C
82
+ ATOM 81 N PRO A 11 -2.192 -11.254 -1.282 1.00 0.00 N
83
+ ATOM 82 CA PRO A 11 -1.955 -12.300 -2.280 1.00 0.00 C
84
+ ATOM 83 C PRO A 11 -2.864 -13.512 -2.092 1.00 0.00 C
85
+ ATOM 84 CB PRO A 11 -0.489 -12.678 -2.052 1.00 0.00 C
86
+ ATOM 85 O PRO A 11 -3.008 -14.013 -0.974 1.00 0.00 O
87
+ ATOM 86 CG PRO A 11 -0.167 -12.157 -0.689 1.00 0.00 C
88
+ ATOM 87 CD PRO A 11 -1.199 -11.132 -0.314 1.00 0.00 C
89
+ ATOM 88 N GLY A 12 -3.597 -13.917 -3.004 1.00 0.00 N
90
+ ATOM 89 CA GLY A 12 -4.530 -15.031 -2.953 1.00 0.00 C
91
+ ATOM 90 C GLY A 12 -5.925 -14.623 -2.517 1.00 0.00 C
92
+ ATOM 91 O GLY A 12 -6.799 -15.473 -2.340 1.00 0.00 O
93
+ ATOM 92 N GLY A 13 -6.035 -13.393 -2.270 1.00 0.00 N
94
+ ATOM 93 CA GLY A 13 -7.309 -12.839 -1.838 1.00 0.00 C
95
+ ATOM 94 C GLY A 13 -7.550 -12.987 -0.349 1.00 0.00 C
96
+ ATOM 95 O GLY A 13 -6.646 -13.368 0.397 1.00 0.00 O
97
+ ATOM 96 N VAL A 14 -8.792 -12.564 0.091 1.00 0.00 N
98
+ ATOM 97 CA VAL A 14 -9.155 -12.775 1.488 1.00 0.00 C
99
+ ATOM 98 C VAL A 14 -9.806 -14.146 1.651 1.00 0.00 C
100
+ ATOM 99 CB VAL A 14 -10.105 -11.670 2.001 1.00 0.00 C
101
+ ATOM 100 O VAL A 14 -10.494 -14.626 0.747 1.00 0.00 O
102
+ ATOM 101 CG1 VAL A 14 -9.430 -10.301 1.927 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 14 -11.406 -11.672 1.200 1.00 0.00 C
104
+ ATOM 103 N VAL A 15 -9.609 -14.745 2.834 1.00 0.00 N
105
+ ATOM 104 CA VAL A 15 -10.187 -16.045 3.164 1.00 0.00 C
106
+ ATOM 105 C VAL A 15 -10.780 -16.005 4.570 1.00 0.00 C
107
+ ATOM 106 CB VAL A 15 -9.140 -17.175 3.057 1.00 0.00 C
108
+ ATOM 107 O VAL A 15 -10.350 -15.212 5.410 1.00 0.00 O
109
+ ATOM 108 CG1 VAL A 15 -8.674 -17.347 1.613 1.00 0.00 C
110
+ ATOM 109 CG2 VAL A 15 -7.952 -16.888 3.974 1.00 0.00 C
111
+ ATOM 110 N PRO A 16 -11.833 -16.842 4.818 1.00 0.00 N
112
+ ATOM 111 CA PRO A 16 -12.361 -16.885 6.183 1.00 0.00 C
113
+ ATOM 112 C PRO A 16 -11.267 -17.051 7.235 1.00 0.00 C
114
+ ATOM 113 CB PRO A 16 -13.290 -18.102 6.164 1.00 0.00 C
115
+ ATOM 114 O PRO A 16 -10.314 -17.806 7.026 1.00 0.00 O
116
+ ATOM 115 CG PRO A 16 -13.789 -18.179 4.758 1.00 0.00 C
117
+ ATOM 116 CD PRO A 16 -12.663 -17.823 3.830 1.00 0.00 C
118
+ ATOM 117 N ARG A 17 -11.371 -16.379 8.313 1.00 0.00 N
119
+ ATOM 118 CA ARG A 17 -10.500 -16.374 9.484 1.00 0.00 C
120
+ ATOM 119 C ARG A 17 -9.249 -15.540 9.233 1.00 0.00 C
121
+ ATOM 120 CB ARG A 17 -10.110 -17.802 9.871 1.00 0.00 C
122
+ ATOM 121 O ARG A 17 -8.340 -15.508 10.066 1.00 0.00 O
123
+ ATOM 122 CG ARG A 17 -11.287 -18.676 10.270 1.00 0.00 C
124
+ ATOM 123 CD ARG A 17 -10.831 -19.988 10.895 1.00 0.00 C
125
+ ATOM 124 NE ARG A 17 -9.991 -19.761 12.068 1.00 0.00 N
126
+ ATOM 125 NH1 ARG A 17 -11.333 -20.958 13.517 1.00 0.00 N
127
+ ATOM 126 NH2 ARG A 17 -9.415 -19.961 14.282 1.00 0.00 N
128
+ ATOM 127 CZ ARG A 17 -10.249 -20.228 13.287 1.00 0.00 C
129
+ ATOM 128 N MET A 18 -9.173 -14.900 8.155 1.00 0.00 N
130
+ ATOM 129 CA MET A 18 -8.164 -13.860 7.974 1.00 0.00 C
131
+ ATOM 130 C MET A 18 -8.509 -12.619 8.789 1.00 0.00 C
132
+ ATOM 131 CB MET A 18 -8.029 -13.494 6.494 1.00 0.00 C
133
+ ATOM 132 O MET A 18 -9.623 -12.100 8.697 1.00 0.00 O
134
+ ATOM 133 CG MET A 18 -6.928 -12.486 6.210 1.00 0.00 C
135
+ ATOM 134 SD MET A 18 -6.821 -12.043 4.433 1.00 0.00 S
136
+ ATOM 135 CE MET A 18 -6.080 -13.561 3.769 1.00 0.00 C
137
+ ATOM 136 N LEU A 19 -7.536 -12.182 9.610 1.00 0.00 N
138
+ ATOM 137 CA LEU A 19 -7.655 -10.974 10.419 1.00 0.00 C
139
+ ATOM 138 C LEU A 19 -6.736 -9.875 9.895 1.00 0.00 C
140
+ ATOM 139 CB LEU A 19 -7.326 -11.275 11.883 1.00 0.00 C
141
+ ATOM 140 O LEU A 19 -5.518 -10.049 9.848 1.00 0.00 O
142
+ ATOM 141 CG LEU A 19 -7.436 -10.102 12.858 1.00 0.00 C
143
+ ATOM 142 CD1 LEU A 19 -8.888 -9.648 12.980 1.00 0.00 C
144
+ ATOM 143 CD2 LEU A 19 -6.874 -10.485 14.223 1.00 0.00 C
145
+ ATOM 144 N ILE A 20 -7.275 -8.762 9.506 1.00 0.00 N
146
+ ATOM 145 CA ILE A 20 -6.525 -7.580 9.094 1.00 0.00 C
147
+ ATOM 146 C ILE A 20 -6.469 -6.578 10.245 1.00 0.00 C
148
+ ATOM 147 CB ILE A 20 -7.148 -6.924 7.842 1.00 0.00 C
149
+ ATOM 148 O ILE A 20 -7.493 -6.273 10.861 1.00 0.00 O
150
+ ATOM 149 CG1 ILE A 20 -7.182 -7.921 6.677 1.00 0.00 C
151
+ ATOM 150 CG2 ILE A 20 -6.378 -5.658 7.456 1.00 0.00 C
152
+ ATOM 151 CD1 ILE A 20 -8.518 -8.630 6.508 1.00 0.00 C
153
+ ATOM 152 N THR A 21 -5.287 -6.092 10.554 1.00 0.00 N
154
+ ATOM 153 CA THR A 21 -5.072 -5.130 11.628 1.00 0.00 C
155
+ ATOM 154 C THR A 21 -4.452 -3.844 11.086 1.00 0.00 C
156
+ ATOM 155 CB THR A 21 -4.169 -5.713 12.730 1.00 0.00 C
157
+ ATOM 156 O THR A 21 -3.442 -3.886 10.382 1.00 0.00 O
158
+ ATOM 157 CG2 THR A 21 -4.048 -4.753 13.909 1.00 0.00 C
159
+ ATOM 158 OG1 THR A 21 -4.727 -6.950 13.191 1.00 0.00 O
160
+ ATOM 159 N ILE A 22 -5.089 -2.725 11.386 1.00 0.00 N
161
+ ATOM 160 CA ILE A 22 -4.630 -1.394 11.004 1.00 0.00 C
162
+ ATOM 161 C ILE A 22 -4.407 -0.547 12.255 1.00 0.00 C
163
+ ATOM 162 CB ILE A 22 -5.633 -0.699 10.057 1.00 0.00 C
164
+ ATOM 163 O ILE A 22 -5.318 -0.380 13.069 1.00 0.00 O
165
+ ATOM 164 CG1 ILE A 22 -5.860 -1.549 8.802 1.00 0.00 C
166
+ ATOM 165 CG2 ILE A 22 -5.145 0.705 9.688 1.00 0.00 C
167
+ ATOM 166 CD1 ILE A 22 -7.258 -1.422 8.213 1.00 0.00 C
168
+ ATOM 167 N LEU A 23 -3.234 -0.046 12.435 1.00 0.00 N
169
+ ATOM 168 CA LEU A 23 -2.858 0.857 13.518 1.00 0.00 C
170
+ ATOM 169 C LEU A 23 -2.512 2.240 12.977 1.00 0.00 C
171
+ ATOM 170 CB LEU A 23 -1.671 0.289 14.300 1.00 0.00 C
172
+ ATOM 171 O LEU A 23 -1.807 2.360 11.973 1.00 0.00 O
173
+ ATOM 172 CG LEU A 23 -1.864 -1.097 14.915 1.00 0.00 C
174
+ ATOM 173 CD1 LEU A 23 -0.598 -1.536 15.642 1.00 0.00 C
175
+ ATOM 174 CD2 LEU A 23 -3.059 -1.099 15.864 1.00 0.00 C
176
+ ATOM 175 N GLY A 24 -3.000 3.226 13.638 1.00 0.00 N
177
+ ATOM 176 CA GLY A 24 -2.696 4.594 13.252 1.00 0.00 C
178
+ ATOM 177 C GLY A 24 -3.192 5.621 14.251 1.00 0.00 C
179
+ ATOM 178 O GLY A 24 -3.630 5.266 15.349 1.00 0.00 O
180
+ ATOM 179 N THR A 25 -3.077 6.914 13.856 1.00 0.00 N
181
+ ATOM 180 CA THR A 25 -3.612 8.059 14.585 1.00 0.00 C
182
+ ATOM 181 C THR A 25 -4.500 8.909 13.679 1.00 0.00 C
183
+ ATOM 182 CB THR A 25 -2.483 8.930 15.164 1.00 0.00 C
184
+ ATOM 183 O THR A 25 -4.147 9.176 12.529 1.00 0.00 O
185
+ ATOM 184 CG2 THR A 25 -3.044 10.070 16.008 1.00 0.00 C
186
+ ATOM 185 OG1 THR A 25 -1.634 8.117 15.984 1.00 0.00 O
187
+ ATOM 186 N VAL A 26 -5.658 9.243 14.235 1.00 0.00 N
188
+ ATOM 187 CA VAL A 26 -6.510 10.179 13.510 1.00 0.00 C
189
+ ATOM 188 C VAL A 26 -5.868 11.565 13.505 1.00 0.00 C
190
+ ATOM 189 CB VAL A 26 -7.927 10.250 14.123 1.00 0.00 C
191
+ ATOM 190 O VAL A 26 -5.498 12.088 14.559 1.00 0.00 O
192
+ ATOM 191 CG1 VAL A 26 -8.804 11.229 13.344 1.00 0.00 C
193
+ ATOM 192 CG2 VAL A 26 -8.565 8.862 14.152 1.00 0.00 C
194
+ ATOM 193 N LYS A 27 -5.670 12.179 12.283 1.00 0.00 N
195
+ ATOM 194 CA LYS A 27 -5.083 13.515 12.225 1.00 0.00 C
196
+ ATOM 195 C LYS A 27 -5.984 14.540 12.908 1.00 0.00 C
197
+ ATOM 196 CB LYS A 27 -4.827 13.926 10.775 1.00 0.00 C
198
+ ATOM 197 O LYS A 27 -7.207 14.389 12.921 1.00 0.00 O
199
+ ATOM 198 CG LYS A 27 -3.682 13.175 10.111 1.00 0.00 C
200
+ ATOM 199 CD LYS A 27 -3.485 13.618 8.667 1.00 0.00 C
201
+ ATOM 200 CE LYS A 27 -2.334 12.874 8.005 1.00 0.00 C
202
+ ATOM 201 NZ LYS A 27 -2.208 13.223 6.558 1.00 0.00 N
203
+ ATOM 202 N PRO A 28 -5.299 15.616 13.409 1.00 0.00 N
204
+ ATOM 203 CA PRO A 28 -6.134 16.723 13.885 1.00 0.00 C
205
+ ATOM 204 C PRO A 28 -7.056 17.275 12.800 1.00 0.00 C
206
+ ATOM 205 CB PRO A 28 -5.110 17.776 14.318 1.00 0.00 C
207
+ ATOM 206 O PRO A 28 -6.660 17.368 11.636 1.00 0.00 O
208
+ ATOM 207 CG PRO A 28 -3.846 17.010 14.539 1.00 0.00 C
209
+ ATOM 208 CD PRO A 28 -3.804 15.867 13.566 1.00 0.00 C
210
+ ATOM 209 N ASN A 29 -8.268 17.548 12.950 1.00 0.00 N
211
+ ATOM 210 CA ASN A 29 -9.279 18.102 12.058 1.00 0.00 C
212
+ ATOM 211 C ASN A 29 -9.644 17.122 10.946 1.00 0.00 C
213
+ ATOM 212 CB ASN A 29 -8.803 19.428 11.461 1.00 0.00 C
214
+ ATOM 213 O ASN A 29 -9.859 17.526 9.801 1.00 0.00 O
215
+ ATOM 214 CG ASN A 29 -8.486 20.464 12.521 1.00 0.00 C
216
+ ATOM 215 ND2 ASN A 29 -7.450 21.261 12.282 1.00 0.00 N
217
+ ATOM 216 OD1 ASN A 29 -9.167 20.549 13.547 1.00 0.00 O
218
+ ATOM 217 N ALA A 30 -9.446 15.861 11.194 1.00 0.00 N
219
+ ATOM 218 CA ALA A 30 -9.802 14.820 10.233 1.00 0.00 C
220
+ ATOM 219 C ALA A 30 -11.223 15.016 9.714 1.00 0.00 C
221
+ ATOM 220 CB ALA A 30 -9.656 13.439 10.867 1.00 0.00 C
222
+ ATOM 221 O ALA A 30 -12.123 15.387 10.471 1.00 0.00 O
223
+ ATOM 222 N ASN A 31 -11.411 14.725 8.448 1.00 0.00 N
224
+ ATOM 223 CA ASN A 31 -12.742 14.728 7.850 1.00 0.00 C
225
+ ATOM 224 C ASN A 31 -13.216 13.313 7.530 1.00 0.00 C
226
+ ATOM 225 CB ASN A 31 -12.763 15.593 6.589 1.00 0.00 C
227
+ ATOM 226 O ASN A 31 -14.392 12.993 7.712 1.00 0.00 O
228
+ ATOM 227 CG ASN A 31 -14.166 15.978 6.166 1.00 0.00 C
229
+ ATOM 228 ND2 ASN A 31 -14.315 16.400 4.916 1.00 0.00 N
230
+ ATOM 229 OD1 ASN A 31 -15.109 15.896 6.957 1.00 0.00 O
231
+ ATOM 230 N ARG A 32 -12.336 12.494 7.027 1.00 0.00 N
232
+ ATOM 231 CA ARG A 32 -12.767 11.150 6.657 1.00 0.00 C
233
+ ATOM 232 C ARG A 32 -11.589 10.182 6.643 1.00 0.00 C
234
+ ATOM 233 CB ARG A 32 -13.451 11.162 5.288 1.00 0.00 C
235
+ ATOM 234 O ARG A 32 -10.455 10.580 6.373 1.00 0.00 O
236
+ ATOM 235 CG ARG A 32 -12.509 11.462 4.133 1.00 0.00 C
237
+ ATOM 236 CD ARG A 32 -13.240 11.464 2.796 1.00 0.00 C
238
+ ATOM 237 NE ARG A 32 -12.331 11.735 1.686 1.00 0.00 N
239
+ ATOM 238 NH1 ARG A 32 -13.974 11.695 0.062 1.00 0.00 N
240
+ ATOM 239 NH2 ARG A 32 -11.791 12.086 -0.518 1.00 0.00 N
241
+ ATOM 240 CZ ARG A 32 -12.701 11.838 0.412 1.00 0.00 C
242
+ ATOM 241 N ILE A 33 -11.820 8.918 6.873 1.00 0.00 N
243
+ ATOM 242 CA ILE A 33 -10.972 7.749 6.665 1.00 0.00 C
244
+ ATOM 243 C ILE A 33 -11.678 6.758 5.742 1.00 0.00 C
245
+ ATOM 244 CB ILE A 33 -10.609 7.070 8.004 1.00 0.00 C
246
+ ATOM 245 O ILE A 33 -12.906 6.650 5.759 1.00 0.00 O
247
+ ATOM 246 CG1 ILE A 33 -9.946 8.077 8.951 1.00 0.00 C
248
+ ATOM 247 CG2 ILE A 33 -9.700 5.861 7.767 1.00 0.00 C
249
+ ATOM 248 CD1 ILE A 33 -9.855 7.602 10.395 1.00 0.00 C
250
+ ATOM 249 N ALA A 34 -10.883 6.015 4.955 1.00 0.00 N
251
+ ATOM 250 CA ALA A 34 -11.505 4.982 4.130 1.00 0.00 C
252
+ ATOM 251 C ALA A 34 -10.640 3.725 4.081 1.00 0.00 C
253
+ ATOM 252 CB ALA A 34 -11.756 5.507 2.719 1.00 0.00 C
254
+ ATOM 253 O ALA A 34 -9.422 3.809 3.906 1.00 0.00 O
255
+ ATOM 254 N LEU A 35 -11.234 2.606 4.271 1.00 0.00 N
256
+ ATOM 255 CA LEU A 35 -10.726 1.271 3.978 1.00 0.00 C
257
+ ATOM 256 C LEU A 35 -11.507 0.630 2.835 1.00 0.00 C
258
+ ATOM 257 CB LEU A 35 -10.801 0.383 5.224 1.00 0.00 C
259
+ ATOM 258 O LEU A 35 -12.709 0.386 2.959 1.00 0.00 O
260
+ ATOM 259 CG LEU A 35 -10.046 0.881 6.457 1.00 0.00 C
261
+ ATOM 260 CD1 LEU A 35 -10.269 -0.066 7.632 1.00 0.00 C
262
+ ATOM 261 CD2 LEU A 35 -8.559 1.025 6.154 1.00 0.00 C
263
+ ATOM 262 N ASP A 36 -10.843 0.373 1.729 1.00 0.00 N
264
+ ATOM 263 CA ASP A 36 -11.439 -0.251 0.552 1.00 0.00 C
265
+ ATOM 264 C ASP A 36 -10.866 -1.646 0.319 1.00 0.00 C
266
+ ATOM 265 CB ASP A 36 -11.221 0.621 -0.687 1.00 0.00 C
267
+ ATOM 266 O ASP A 36 -9.706 -1.789 -0.074 1.00 0.00 O
268
+ ATOM 267 CG ASP A 36 -12.081 1.873 -0.690 1.00 0.00 C
269
+ ATOM 268 OD1 ASP A 36 -13.193 1.851 -0.118 1.00 0.00 O
270
+ ATOM 269 OD2 ASP A 36 -11.645 2.890 -1.271 1.00 0.00 O
271
+ ATOM 270 N PHE A 37 -11.655 -2.694 0.553 1.00 0.00 N
272
+ ATOM 271 CA PHE A 37 -11.343 -4.052 0.126 1.00 0.00 C
273
+ ATOM 272 C PHE A 37 -11.666 -4.243 -1.352 1.00 0.00 C
274
+ ATOM 273 CB PHE A 37 -12.116 -5.073 0.967 1.00 0.00 C
275
+ ATOM 274 O PHE A 37 -12.836 -4.295 -1.736 1.00 0.00 O
276
+ ATOM 275 CG PHE A 37 -11.624 -5.189 2.384 1.00 0.00 C
277
+ ATOM 276 CD1 PHE A 37 -10.873 -6.288 2.786 1.00 0.00 C
278
+ ATOM 277 CD2 PHE A 37 -11.912 -4.200 3.315 1.00 0.00 C
279
+ ATOM 278 CE1 PHE A 37 -10.416 -6.397 4.097 1.00 0.00 C
280
+ ATOM 279 CE2 PHE A 37 -11.457 -4.303 4.627 1.00 0.00 C
281
+ ATOM 280 CZ PHE A 37 -10.711 -5.404 5.016 1.00 0.00 C
282
+ ATOM 281 N GLN A 38 -10.620 -4.385 -2.158 1.00 0.00 N
283
+ ATOM 282 CA GLN A 38 -10.751 -4.184 -3.598 1.00 0.00 C
284
+ ATOM 283 C GLN A 38 -10.655 -5.508 -4.349 1.00 0.00 C
285
+ ATOM 284 CB GLN A 38 -9.683 -3.214 -4.104 1.00 0.00 C
286
+ ATOM 285 O GLN A 38 -9.789 -6.335 -4.052 1.00 0.00 O
287
+ ATOM 286 CG GLN A 38 -9.821 -1.802 -3.551 1.00 0.00 C
288
+ ATOM 287 CD GLN A 38 -8.733 -0.868 -4.045 1.00 0.00 C
289
+ ATOM 288 NE2 GLN A 38 -9.068 0.411 -4.184 1.00 0.00 N
290
+ ATOM 289 OE1 GLN A 38 -7.602 -1.291 -4.298 1.00 0.00 O
291
+ ATOM 290 N ARG A 39 -11.541 -5.720 -5.328 1.00 0.00 N
292
+ ATOM 291 CA ARG A 39 -11.580 -6.739 -6.371 1.00 0.00 C
293
+ ATOM 292 C ARG A 39 -11.490 -6.109 -7.757 1.00 0.00 C
294
+ ATOM 293 CB ARG A 39 -12.855 -7.578 -6.258 1.00 0.00 C
295
+ ATOM 294 O ARG A 39 -12.506 -5.711 -8.331 1.00 0.00 O
296
+ ATOM 295 CG ARG A 39 -13.034 -8.582 -7.386 1.00 0.00 C
297
+ ATOM 296 CD ARG A 39 -14.415 -9.221 -7.357 1.00 0.00 C
298
+ ATOM 297 NE ARG A 39 -14.668 -10.012 -8.558 1.00 0.00 N
299
+ ATOM 298 NH1 ARG A 39 -16.947 -10.176 -8.221 1.00 0.00 N
300
+ ATOM 299 NH2 ARG A 39 -15.981 -11.161 -10.052 1.00 0.00 N
301
+ ATOM 300 CZ ARG A 39 -15.865 -10.448 -8.941 1.00 0.00 C
302
+ ATOM 301 N GLY A 40 -10.268 -6.073 -8.304 1.00 0.00 N
303
+ ATOM 302 CA GLY A 40 -10.065 -5.261 -9.493 1.00 0.00 C
304
+ ATOM 303 C GLY A 40 -10.420 -3.800 -9.286 1.00 0.00 C
305
+ ATOM 304 O GLY A 40 -9.838 -3.130 -8.430 1.00 0.00 O
306
+ ATOM 305 N ASN A 41 -11.423 -3.341 -10.074 1.00 0.00 N
307
+ ATOM 306 CA ASN A 41 -11.880 -1.960 -9.969 1.00 0.00 C
308
+ ATOM 307 C ASN A 41 -13.053 -1.829 -9.001 1.00 0.00 C
309
+ ATOM 308 CB ASN A 41 -12.265 -1.415 -11.346 1.00 0.00 C
310
+ ATOM 309 O ASN A 41 -13.478 -0.718 -8.681 1.00 0.00 O
311
+ ATOM 310 CG ASN A 41 -11.069 -1.249 -12.264 1.00 0.00 C
312
+ ATOM 311 ND2 ASN A 41 -11.313 -1.290 -13.568 1.00 0.00 N
313
+ ATOM 312 OD1 ASN A 41 -9.936 -1.088 -11.803 1.00 0.00 O
314
+ ATOM 313 N ASP A 42 -13.542 -2.919 -8.577 1.00 0.00 N
315
+ ATOM 314 CA ASP A 42 -14.669 -2.962 -7.651 1.00 0.00 C
316
+ ATOM 315 C ASP A 42 -14.194 -2.859 -6.203 1.00 0.00 C
317
+ ATOM 316 CB ASP A 42 -15.479 -4.244 -7.849 1.00 0.00 C
318
+ ATOM 317 O ASP A 42 -13.022 -3.100 -5.910 1.00 0.00 O
319
+ ATOM 318 CG ASP A 42 -16.265 -4.254 -9.149 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 42 -16.480 -3.175 -9.741 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 42 -16.675 -5.353 -9.584 1.00 0.00 O
322
+ ATOM 321 N VAL A 43 -15.091 -2.432 -5.334 1.00 0.00 N
323
+ ATOM 322 CA VAL A 43 -14.898 -2.407 -3.888 1.00 0.00 C
324
+ ATOM 323 C VAL A 43 -15.880 -3.366 -3.218 1.00 0.00 C
325
+ ATOM 324 CB VAL A 43 -15.072 -0.982 -3.317 1.00 0.00 C
326
+ ATOM 325 O VAL A 43 -17.083 -3.102 -3.176 1.00 0.00 O
327
+ ATOM 326 CG1 VAL A 43 -14.857 -0.976 -1.805 1.00 0.00 C
328
+ ATOM 327 CG2 VAL A 43 -14.108 -0.013 -4.000 1.00 0.00 C
329
+ ATOM 328 N ALA A 44 -15.367 -4.460 -2.641 1.00 0.00 N
330
+ ATOM 329 CA ALA A 44 -16.189 -5.489 -2.009 1.00 0.00 C
331
+ ATOM 330 C ALA A 44 -16.734 -5.010 -0.667 1.00 0.00 C
332
+ ATOM 331 CB ALA A 44 -15.384 -6.774 -1.826 1.00 0.00 C
333
+ ATOM 332 O ALA A 44 -17.861 -5.341 -0.294 1.00 0.00 O
334
+ ATOM 333 N PHE A 45 -15.981 -4.226 0.015 1.00 0.00 N
335
+ ATOM 334 CA PHE A 45 -16.343 -3.626 1.293 1.00 0.00 C
336
+ ATOM 335 C PHE A 45 -15.653 -2.278 1.473 1.00 0.00 C
337
+ ATOM 336 CB PHE A 45 -15.978 -4.561 2.451 1.00 0.00 C
338
+ ATOM 337 O PHE A 45 -14.423 -2.206 1.517 1.00 0.00 O
339
+ ATOM 338 CG PHE A 45 -16.191 -3.954 3.811 1.00 0.00 C
340
+ ATOM 339 CD1 PHE A 45 -15.310 -4.219 4.852 1.00 0.00 C
341
+ ATOM 340 CD2 PHE A 45 -17.274 -3.117 4.050 1.00 0.00 C
342
+ ATOM 341 CE1 PHE A 45 -15.504 -3.659 6.112 1.00 0.00 C
343
+ ATOM 342 CE2 PHE A 45 -17.475 -2.554 5.307 1.00 0.00 C
344
+ ATOM 343 CZ PHE A 45 -16.589 -2.827 6.337 1.00 0.00 C
345
+ ATOM 344 N HIS A 46 -16.445 -1.228 1.534 1.00 0.00 N
346
+ ATOM 345 CA HIS A 46 -16.063 0.144 1.855 1.00 0.00 C
347
+ ATOM 346 C HIS A 46 -16.411 0.489 3.299 1.00 0.00 C
348
+ ATOM 347 CB HIS A 46 -16.746 1.126 0.902 1.00 0.00 C
349
+ ATOM 348 O HIS A 46 -17.583 0.467 3.682 1.00 0.00 O
350
+ ATOM 349 CG HIS A 46 -16.380 2.555 1.149 1.00 0.00 C
351
+ ATOM 350 CD2 HIS A 46 -17.100 3.584 1.654 1.00 0.00 C
352
+ ATOM 351 ND1 HIS A 46 -15.131 3.063 0.861 1.00 0.00 N
353
+ ATOM 352 CE1 HIS A 46 -15.100 4.346 1.181 1.00 0.00 C
354
+ ATOM 353 NE2 HIS A 46 -16.282 4.686 1.664 1.00 0.00 N
355
+ ATOM 354 N PHE A 47 -15.443 0.728 4.111 1.00 0.00 N
356
+ ATOM 355 CA PHE A 47 -15.587 1.197 5.484 1.00 0.00 C
357
+ ATOM 356 C PHE A 47 -15.102 2.636 5.618 1.00 0.00 C
358
+ ATOM 357 CB PHE A 47 -14.816 0.291 6.448 1.00 0.00 C
359
+ ATOM 358 O PHE A 47 -13.911 2.911 5.459 1.00 0.00 O
360
+ ATOM 359 CG PHE A 47 -14.889 0.731 7.885 1.00 0.00 C
361
+ ATOM 360 CD1 PHE A 47 -13.829 1.408 8.474 1.00 0.00 C
362
+ ATOM 361 CD2 PHE A 47 -16.019 0.466 8.648 1.00 0.00 C
363
+ ATOM 362 CE1 PHE A 47 -13.894 1.817 9.805 1.00 0.00 C
364
+ ATOM 363 CE2 PHE A 47 -16.092 0.870 9.977 1.00 0.00 C
365
+ ATOM 364 CZ PHE A 47 -15.028 1.545 10.554 1.00 0.00 C
366
+ ATOM 365 N ASN A 48 -16.032 3.531 5.946 1.00 0.00 N
367
+ ATOM 366 CA ASN A 48 -15.754 4.951 5.755 1.00 0.00 C
368
+ ATOM 367 C ASN A 48 -16.276 5.786 6.920 1.00 0.00 C
369
+ ATOM 368 CB ASN A 48 -16.358 5.443 4.437 1.00 0.00 C
370
+ ATOM 369 O ASN A 48 -17.357 6.373 6.835 1.00 0.00 O
371
+ ATOM 370 CG ASN A 48 -15.995 6.883 4.131 1.00 0.00 C
372
+ ATOM 371 ND2 ASN A 48 -14.785 7.282 4.502 1.00 0.00 N
373
+ ATOM 372 OD1 ASN A 48 -16.798 7.631 3.568 1.00 0.00 O
374
+ ATOM 373 N PRO A 49 -15.526 5.892 8.048 1.00 0.00 N
375
+ ATOM 374 CA PRO A 49 -15.792 6.886 9.091 1.00 0.00 C
376
+ ATOM 375 C PRO A 49 -15.703 8.320 8.575 1.00 0.00 C
377
+ ATOM 376 CB PRO A 49 -14.700 6.610 10.128 1.00 0.00 C
378
+ ATOM 377 O PRO A 49 -14.706 8.696 7.953 1.00 0.00 O
379
+ ATOM 378 CG PRO A 49 -14.281 5.198 9.874 1.00 0.00 C
380
+ ATOM 379 CD PRO A 49 -14.371 4.930 8.399 1.00 0.00 C
381
+ ATOM 380 N ARG A 50 -16.719 9.119 8.772 1.00 0.00 N
382
+ ATOM 381 CA ARG A 50 -16.824 10.535 8.434 1.00 0.00 C
383
+ ATOM 382 C ARG A 50 -16.961 11.389 9.688 1.00 0.00 C
384
+ ATOM 383 CB ARG A 50 -18.014 10.778 7.501 1.00 0.00 C
385
+ ATOM 384 O ARG A 50 -17.922 11.239 10.446 1.00 0.00 O
386
+ ATOM 385 CG ARG A 50 -17.967 9.965 6.218 1.00 0.00 C
387
+ ATOM 386 CD ARG A 50 -19.213 10.178 5.369 1.00 0.00 C
388
+ ATOM 387 NE ARG A 50 -19.171 9.388 4.142 1.00 0.00 N
389
+ ATOM 388 NH1 ARG A 50 -21.299 9.966 3.452 1.00 0.00 N
390
+ ATOM 389 NH2 ARG A 50 -20.019 8.556 2.176 1.00 0.00 N
391
+ ATOM 390 CZ ARG A 50 -20.163 9.306 3.260 1.00 0.00 C
392
+ ATOM 391 N PHE A 51 -16.100 12.246 9.863 1.00 0.00 N
393
+ ATOM 392 CA PHE A 51 -16.010 13.028 11.090 1.00 0.00 C
394
+ ATOM 393 C PHE A 51 -16.950 14.226 11.038 1.00 0.00 C
395
+ ATOM 394 CB PHE A 51 -14.571 13.498 11.325 1.00 0.00 C
396
+ ATOM 395 O PHE A 51 -17.302 14.791 12.076 1.00 0.00 O
397
+ ATOM 396 CG PHE A 51 -13.628 12.394 11.718 1.00 0.00 C
398
+ ATOM 397 CD1 PHE A 51 -13.268 12.209 13.048 1.00 0.00 C
399
+ ATOM 398 CD2 PHE A 51 -13.101 11.540 10.759 1.00 0.00 C
400
+ ATOM 399 CE1 PHE A 51 -12.395 11.188 13.415 1.00 0.00 C
401
+ ATOM 400 CE2 PHE A 51 -12.227 10.517 11.117 1.00 0.00 C
402
+ ATOM 401 CZ PHE A 51 -11.875 10.343 12.447 1.00 0.00 C
403
+ ATOM 402 N ASN A 52 -17.245 14.590 9.818 1.00 0.00 N
404
+ ATOM 403 CA ASN A 52 -18.207 15.666 9.595 1.00 0.00 C
405
+ ATOM 404 C ASN A 52 -19.002 15.449 8.310 1.00 0.00 C
406
+ ATOM 405 CB ASN A 52 -17.497 17.021 9.558 1.00 0.00 C
407
+ ATOM 406 O ASN A 52 -18.527 15.770 7.220 1.00 0.00 O
408
+ ATOM 407 CG ASN A 52 -18.466 18.187 9.520 1.00 0.00 C
409
+ ATOM 408 ND2 ASN A 52 -17.943 19.386 9.299 1.00 0.00 N
410
+ ATOM 409 OD1 ASN A 52 -19.676 18.010 9.690 1.00 0.00 O
411
+ ATOM 410 N GLU A 53 -20.149 14.824 8.383 1.00 0.00 N
412
+ ATOM 411 CA GLU A 53 -21.178 14.763 7.349 1.00 0.00 C
413
+ ATOM 412 C GLU A 53 -22.441 15.502 7.783 1.00 0.00 C
414
+ ATOM 413 CB GLU A 53 -21.511 13.307 7.008 1.00 0.00 C
415
+ ATOM 414 O GLU A 53 -23.237 14.976 8.563 1.00 0.00 O
416
+ ATOM 415 CG GLU A 53 -22.474 13.155 5.840 1.00 0.00 C
417
+ ATOM 416 CD GLU A 53 -22.776 11.705 5.497 1.00 0.00 C
418
+ ATOM 417 OE1 GLU A 53 -23.698 11.116 6.106 1.00 0.00 O
419
+ ATOM 418 OE2 GLU A 53 -22.084 11.153 4.613 1.00 0.00 O
420
+ ATOM 419 N ASN A 54 -22.605 16.693 7.296 1.00 0.00 N
421
+ ATOM 420 CA ASN A 54 -23.698 17.564 7.712 1.00 0.00 C
422
+ ATOM 421 C ASN A 54 -23.723 17.750 9.226 1.00 0.00 C
423
+ ATOM 422 CB ASN A 54 -25.040 17.013 7.223 1.00 0.00 C
424
+ ATOM 423 O ASN A 54 -24.755 17.538 9.865 1.00 0.00 O
425
+ ATOM 424 CG ASN A 54 -25.086 16.840 5.717 1.00 0.00 C
426
+ ATOM 425 ND2 ASN A 54 -25.818 15.832 5.259 1.00 0.00 N
427
+ ATOM 426 OD1 ASN A 54 -24.470 17.607 4.973 1.00 0.00 O
428
+ ATOM 427 N ASN A 55 -22.590 17.989 9.833 1.00 0.00 N
429
+ ATOM 428 CA ASN A 55 -22.344 18.241 11.249 1.00 0.00 C
430
+ ATOM 429 C ASN A 55 -22.572 16.988 12.090 1.00 0.00 C
431
+ ATOM 430 CB ASN A 55 -23.227 19.386 11.752 1.00 0.00 C
432
+ ATOM 431 O ASN A 55 -22.867 17.080 13.283 1.00 0.00 O
433
+ ATOM 432 CG ASN A 55 -22.889 20.712 11.103 1.00 0.00 C
434
+ ATOM 433 ND2 ASN A 55 -23.877 21.593 11.002 1.00 0.00 N
435
+ ATOM 434 OD1 ASN A 55 -21.747 20.945 10.694 1.00 0.00 O
436
+ ATOM 435 N ARG A 56 -22.521 15.819 11.521 1.00 0.00 N
437
+ ATOM 436 CA ARG A 56 -22.672 14.544 12.214 1.00 0.00 C
438
+ ATOM 437 C ARG A 56 -21.479 13.632 11.951 1.00 0.00 C
439
+ ATOM 438 CB ARG A 56 -23.967 13.848 11.787 1.00 0.00 C
440
+ ATOM 439 O ARG A 56 -20.914 13.640 10.855 1.00 0.00 O
441
+ ATOM 440 CG ARG A 56 -25.228 14.602 12.177 1.00 0.00 C
442
+ ATOM 441 CD ARG A 56 -26.485 13.882 11.706 1.00 0.00 C
443
+ ATOM 442 NE ARG A 56 -27.667 14.328 12.438 1.00 0.00 N
444
+ ATOM 443 NH1 ARG A 56 -29.151 13.019 11.246 1.00 0.00 N
445
+ ATOM 444 NH2 ARG A 56 -29.910 14.379 12.928 1.00 0.00 N
446
+ ATOM 445 CZ ARG A 56 -28.907 13.907 12.203 1.00 0.00 C
447
+ ATOM 446 N ARG A 57 -21.132 12.894 12.940 1.00 0.00 N
448
+ ATOM 447 CA ARG A 57 -20.190 11.788 12.800 1.00 0.00 C
449
+ ATOM 448 C ARG A 57 -20.916 10.490 12.463 1.00 0.00 C
450
+ ATOM 449 CB ARG A 57 -19.371 11.613 14.080 1.00 0.00 C
451
+ ATOM 450 O ARG A 57 -21.884 10.123 13.132 1.00 0.00 O
452
+ ATOM 451 CG ARG A 57 -18.525 12.824 14.441 1.00 0.00 C
453
+ ATOM 452 CD ARG A 57 -17.797 12.630 15.762 1.00 0.00 C
454
+ ATOM 453 NE ARG A 57 -17.126 13.854 16.193 1.00 0.00 N
455
+ ATOM 454 NH1 ARG A 57 -16.249 12.940 18.126 1.00 0.00 N
456
+ ATOM 455 NH2 ARG A 57 -15.839 15.133 17.601 1.00 0.00 N
457
+ ATOM 456 CZ ARG A 57 -16.407 13.972 17.306 1.00 0.00 C
458
+ ATOM 457 N VAL A 58 -20.485 9.850 11.427 1.00 0.00 N
459
+ ATOM 458 CA VAL A 58 -21.174 8.648 10.969 1.00 0.00 C
460
+ ATOM 459 C VAL A 58 -20.176 7.700 10.308 1.00 0.00 C
461
+ ATOM 460 CB VAL A 58 -22.316 8.989 9.986 1.00 0.00 C
462
+ ATOM 461 O VAL A 58 -19.162 8.139 9.761 1.00 0.00 O
463
+ ATOM 462 CG1 VAL A 58 -21.791 9.810 8.810 1.00 0.00 C
464
+ ATOM 463 CG2 VAL A 58 -22.993 7.711 9.490 1.00 0.00 C
465
+ ATOM 464 N ILE A 59 -20.399 6.436 10.418 1.00 0.00 N
466
+ ATOM 465 CA ILE A 59 -19.675 5.446 9.628 1.00 0.00 C
467
+ ATOM 466 C ILE A 59 -20.564 4.941 8.494 1.00 0.00 C
468
+ ATOM 467 CB ILE A 59 -19.197 4.265 10.502 1.00 0.00 C
469
+ ATOM 468 O ILE A 59 -21.693 4.506 8.729 1.00 0.00 O
470
+ ATOM 469 CG1 ILE A 59 -18.293 4.769 11.633 1.00 0.00 C
471
+ ATOM 470 CG2 ILE A 59 -18.475 3.219 9.648 1.00 0.00 C
472
+ ATOM 471 CD1 ILE A 59 -17.814 3.674 12.577 1.00 0.00 C
473
+ ATOM 472 N VAL A 60 -20.084 5.059 7.304 1.00 0.00 N
474
+ ATOM 473 CA VAL A 60 -20.789 4.586 6.117 1.00 0.00 C
475
+ ATOM 474 C VAL A 60 -20.093 3.344 5.564 1.00 0.00 C
476
+ ATOM 475 CB VAL A 60 -20.867 5.681 5.030 1.00 0.00 C
477
+ ATOM 476 O VAL A 60 -18.891 3.368 5.290 1.00 0.00 O
478
+ ATOM 477 CG1 VAL A 60 -21.530 5.139 3.765 1.00 0.00 C
479
+ ATOM 478 CG2 VAL A 60 -21.626 6.899 5.555 1.00 0.00 C
480
+ ATOM 479 N CYS A 61 -20.854 2.223 5.385 1.00 0.00 N
481
+ ATOM 480 CA CYS A 61 -20.400 1.010 4.716 1.00 0.00 C
482
+ ATOM 481 C CYS A 61 -21.140 0.803 3.400 1.00 0.00 C
483
+ ATOM 482 CB CYS A 61 -20.599 -0.208 5.619 1.00 0.00 C
484
+ ATOM 483 O CYS A 61 -22.333 1.097 3.301 1.00 0.00 O
485
+ ATOM 484 SG CYS A 61 -19.707 -0.104 7.186 1.00 0.00 S
486
+ ATOM 485 N ASN A 62 -20.444 0.351 2.403 1.00 0.00 N
487
+ ATOM 486 CA ASN A 62 -21.072 0.106 1.109 1.00 0.00 C
488
+ ATOM 487 C ASN A 62 -20.245 -0.851 0.255 1.00 0.00 C
489
+ ATOM 488 CB ASN A 62 -21.299 1.423 0.364 1.00 0.00 C
490
+ ATOM 489 O ASN A 62 -19.160 -1.271 0.661 1.00 0.00 O
491
+ ATOM 490 CG ASN A 62 -22.479 1.362 -0.585 1.00 0.00 C
492
+ ATOM 491 ND2 ASN A 62 -22.939 2.523 -1.036 1.00 0.00 N
493
+ ATOM 492 OD1 ASN A 62 -22.974 0.279 -0.911 1.00 0.00 O
494
+ ATOM 493 N THR A 63 -20.788 -1.275 -0.811 1.00 0.00 N
495
+ ATOM 494 CA THR A 63 -20.140 -2.046 -1.867 1.00 0.00 C
496
+ ATOM 495 C THR A 63 -20.275 -1.341 -3.213 1.00 0.00 C
497
+ ATOM 496 CB THR A 63 -20.732 -3.464 -1.966 1.00 0.00 C
498
+ ATOM 497 O THR A 63 -21.343 -0.819 -3.542 1.00 0.00 O
499
+ ATOM 498 CG2 THR A 63 -20.116 -4.237 -3.128 1.00 0.00 C
500
+ ATOM 499 OG1 THR A 63 -20.473 -4.171 -0.747 1.00 0.00 O
501
+ ATOM 500 N LYS A 64 -19.172 -1.258 -3.967 1.00 0.00 N
502
+ ATOM 501 CA LYS A 64 -19.180 -0.750 -5.335 1.00 0.00 C
503
+ ATOM 502 C LYS A 64 -18.996 -1.881 -6.343 1.00 0.00 C
504
+ ATOM 503 CB LYS A 64 -18.086 0.303 -5.523 1.00 0.00 C
505
+ ATOM 504 O LYS A 64 -17.968 -2.561 -6.339 1.00 0.00 O
506
+ ATOM 505 CG LYS A 64 -18.138 1.017 -6.866 1.00 0.00 C
507
+ ATOM 506 CD LYS A 64 -16.940 1.938 -7.056 1.00 0.00 C
508
+ ATOM 507 CE LYS A 64 -17.003 2.671 -8.389 1.00 0.00 C
509
+ ATOM 508 NZ LYS A 64 -15.765 3.468 -8.642 1.00 0.00 N
510
+ ATOM 509 N LEU A 65 -19.981 -2.076 -7.211 1.00 0.00 N
511
+ ATOM 510 CA LEU A 65 -19.939 -3.055 -8.292 1.00 0.00 C
512
+ ATOM 511 C LEU A 65 -20.232 -2.394 -9.635 1.00 0.00 C
513
+ ATOM 512 CB LEU A 65 -20.944 -4.181 -8.035 1.00 0.00 C
514
+ ATOM 513 O LEU A 65 -21.154 -1.583 -9.745 1.00 0.00 O
515
+ ATOM 514 CG LEU A 65 -20.696 -5.039 -6.793 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 65 -21.849 -6.016 -6.585 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 65 -19.372 -5.787 -6.914 1.00 0.00 C
518
+ ATOM 517 N ASP A 66 -19.410 -2.688 -10.623 1.00 0.00 N
519
+ ATOM 518 CA ASP A 66 -19.557 -2.175 -11.981 1.00 0.00 C
520
+ ATOM 519 C ASP A 66 -19.672 -0.653 -11.985 1.00 0.00 C
521
+ ATOM 520 CB ASP A 66 -20.781 -2.797 -12.659 1.00 0.00 C
522
+ ATOM 521 O ASP A 66 -20.590 -0.095 -12.589 1.00 0.00 O
523
+ ATOM 522 CG ASP A 66 -20.637 -4.290 -12.889 1.00 0.00 C
524
+ ATOM 523 OD1 ASP A 66 -19.520 -4.754 -13.201 1.00 0.00 O
525
+ ATOM 524 OD2 ASP A 66 -21.652 -5.009 -12.762 1.00 0.00 O
526
+ ATOM 525 N ASN A 67 -18.877 -0.094 -11.165 1.00 0.00 N
527
+ ATOM 526 CA ASN A 67 -18.714 1.346 -10.993 1.00 0.00 C
528
+ ATOM 527 C ASN A 67 -19.925 1.970 -10.306 1.00 0.00 C
529
+ ATOM 528 CB ASN A 67 -18.463 2.023 -12.343 1.00 0.00 C
530
+ ATOM 529 O ASN A 67 -19.992 3.190 -10.143 1.00 0.00 O
531
+ ATOM 530 CG ASN A 67 -17.036 1.849 -12.825 1.00 0.00 C
532
+ ATOM 531 ND2 ASN A 67 -16.863 1.753 -14.139 1.00 0.00 N
533
+ ATOM 532 OD1 ASN A 67 -16.098 1.801 -12.026 1.00 0.00 O
534
+ ATOM 533 N ASN A 68 -20.842 1.157 -9.785 1.00 0.00 N
535
+ ATOM 534 CA ASN A 68 -22.019 1.642 -9.073 1.00 0.00 C
536
+ ATOM 535 C ASN A 68 -21.951 1.309 -7.585 1.00 0.00 C
537
+ ATOM 536 CB ASN A 68 -23.295 1.066 -9.688 1.00 0.00 C
538
+ ATOM 537 O ASN A 68 -21.729 0.155 -7.213 1.00 0.00 O
539
+ ATOM 538 CG ASN A 68 -23.546 1.574 -11.095 1.00 0.00 C
540
+ ATOM 539 ND2 ASN A 68 -23.458 0.680 -12.073 1.00 0.00 N
541
+ ATOM 540 OD1 ASN A 68 -23.817 2.760 -11.300 1.00 0.00 O
542
+ ATOM 541 N TRP A 69 -22.160 2.380 -6.795 1.00 0.00 N
543
+ ATOM 542 CA TRP A 69 -22.321 2.162 -5.361 1.00 0.00 C
544
+ ATOM 543 C TRP A 69 -23.701 1.594 -5.049 1.00 0.00 C
545
+ ATOM 544 CB TRP A 69 -22.106 3.468 -4.591 1.00 0.00 C
546
+ ATOM 545 O TRP A 69 -24.711 2.080 -5.563 1.00 0.00 O
547
+ ATOM 546 CG TRP A 69 -20.681 3.933 -4.564 1.00 0.00 C
548
+ ATOM 547 CD1 TRP A 69 -20.119 4.913 -5.333 1.00 0.00 C
549
+ ATOM 548 CD2 TRP A 69 -19.636 3.429 -3.728 1.00 0.00 C
550
+ ATOM 549 CE2 TRP A 69 -18.463 4.153 -4.042 1.00 0.00 C
551
+ ATOM 550 CE3 TRP A 69 -19.576 2.437 -2.740 1.00 0.00 C
552
+ ATOM 551 NE1 TRP A 69 -18.785 5.052 -5.024 1.00 0.00 N
553
+ ATOM 552 CH2 TRP A 69 -17.213 2.937 -2.442 1.00 0.00 C
554
+ ATOM 553 CZ2 TRP A 69 -17.244 3.914 -3.404 1.00 0.00 C
555
+ ATOM 554 CZ3 TRP A 69 -18.360 2.201 -2.106 1.00 0.00 C
556
+ ATOM 555 N GLY A 70 -23.652 0.530 -4.205 1.00 0.00 N
557
+ ATOM 556 CA GLY A 70 -24.908 -0.000 -3.698 1.00 0.00 C
558
+ ATOM 557 C GLY A 70 -25.535 0.874 -2.627 1.00 0.00 C
559
+ ATOM 558 O GLY A 70 -25.188 2.050 -2.497 1.00 0.00 O
560
+ ATOM 559 N ARG A 71 -26.568 0.295 -1.900 1.00 0.00 N
561
+ ATOM 560 CA ARG A 71 -27.201 0.971 -0.773 1.00 0.00 C
562
+ ATOM 561 C ARG A 71 -26.227 1.128 0.391 1.00 0.00 C
563
+ ATOM 562 CB ARG A 71 -28.444 0.205 -0.314 1.00 0.00 C
564
+ ATOM 563 O ARG A 71 -25.582 0.161 0.802 1.00 0.00 O
565
+ ATOM 564 CG ARG A 71 -29.201 0.879 0.819 1.00 0.00 C
566
+ ATOM 565 CD ARG A 71 -30.460 0.108 1.193 1.00 0.00 C
567
+ ATOM 566 NE ARG A 71 -31.123 0.692 2.355 1.00 0.00 N
568
+ ATOM 567 NH1 ARG A 71 -32.734 -0.956 2.522 1.00 0.00 N
569
+ ATOM 568 NH2 ARG A 71 -32.711 0.787 4.012 1.00 0.00 N
570
+ ATOM 569 CZ ARG A 71 -32.188 0.173 2.961 1.00 0.00 C
571
+ ATOM 570 N GLU A 72 -26.177 2.264 0.975 1.00 0.00 N
572
+ ATOM 571 CA GLU A 72 -25.338 2.530 2.140 1.00 0.00 C
573
+ ATOM 572 C GLU A 72 -25.923 1.894 3.397 1.00 0.00 C
574
+ ATOM 573 CB GLU A 72 -25.164 4.038 2.344 1.00 0.00 C
575
+ ATOM 574 O GLU A 72 -27.130 1.970 3.635 1.00 0.00 O
576
+ ATOM 575 CG GLU A 72 -24.347 4.715 1.253 1.00 0.00 C
577
+ ATOM 576 CD GLU A 72 -24.044 6.175 1.552 1.00 0.00 C
578
+ ATOM 577 OE1 GLU A 72 -23.181 6.768 0.865 1.00 0.00 O
579
+ ATOM 578 OE2 GLU A 72 -24.673 6.730 2.480 1.00 0.00 O
580
+ ATOM 579 N GLU A 73 -25.134 1.303 4.194 1.00 0.00 N
581
+ ATOM 580 CA GLU A 73 -25.392 0.993 5.598 1.00 0.00 C
582
+ ATOM 581 C GLU A 73 -24.703 1.995 6.520 1.00 0.00 C
583
+ ATOM 582 CB GLU A 73 -24.931 -0.430 5.927 1.00 0.00 C
584
+ ATOM 583 O GLU A 73 -23.534 2.330 6.318 1.00 0.00 O
585
+ ATOM 584 CG GLU A 73 -25.714 -1.514 5.203 1.00 0.00 C
586
+ ATOM 585 CD GLU A 73 -25.213 -2.918 5.502 1.00 0.00 C
587
+ ATOM 586 OE1 GLU A 73 -25.228 -3.775 4.589 1.00 0.00 O
588
+ ATOM 587 OE2 GLU A 73 -24.801 -3.163 6.658 1.00 0.00 O
589
+ ATOM 588 N ARG A 74 -25.331 2.567 7.480 1.00 0.00 N
590
+ ATOM 589 CA ARG A 74 -24.849 3.674 8.299 1.00 0.00 C
591
+ ATOM 590 C ARG A 74 -24.909 3.323 9.782 1.00 0.00 C
592
+ ATOM 591 CB ARG A 74 -25.665 4.939 8.026 1.00 0.00 C
593
+ ATOM 592 O ARG A 74 -25.934 2.847 10.272 1.00 0.00 O
594
+ ATOM 593 CG ARG A 74 -25.526 5.469 6.609 1.00 0.00 C
595
+ ATOM 594 CD ARG A 74 -26.335 6.742 6.399 1.00 0.00 C
596
+ ATOM 595 NE ARG A 74 -25.951 7.428 5.169 1.00 0.00 N
597
+ ATOM 596 NH1 ARG A 74 -25.694 9.499 6.160 1.00 0.00 N
598
+ ATOM 597 NH2 ARG A 74 -25.320 9.243 3.912 1.00 0.00 N
599
+ ATOM 598 CZ ARG A 74 -25.656 8.722 5.083 1.00 0.00 C
600
+ ATOM 599 N GLN A 75 -23.858 3.546 10.387 1.00 0.00 N
601
+ ATOM 600 CA GLN A 75 -23.723 3.339 11.825 1.00 0.00 C
602
+ ATOM 601 C GLN A 75 -23.508 4.663 12.553 1.00 0.00 C
603
+ ATOM 602 CB GLN A 75 -22.567 2.381 12.124 1.00 0.00 C
604
+ ATOM 603 O GLN A 75 -22.659 5.464 12.156 1.00 0.00 O
605
+ ATOM 604 CG GLN A 75 -22.907 1.310 13.151 1.00 0.00 C
606
+ ATOM 605 CD GLN A 75 -24.345 0.837 13.052 1.00 0.00 C
607
+ ATOM 606 NE2 GLN A 75 -24.709 -0.133 13.885 1.00 0.00 N
608
+ ATOM 607 OE1 GLN A 75 -25.123 1.340 12.235 1.00 0.00 O
609
+ ATOM 608 N SER A 76 -24.215 4.860 13.732 1.00 0.00 N
610
+ ATOM 609 CA SER A 76 -24.131 6.105 14.489 1.00 0.00 C
611
+ ATOM 610 C SER A 76 -23.070 6.017 15.581 1.00 0.00 C
612
+ ATOM 611 CB SER A 76 -25.486 6.447 15.109 1.00 0.00 C
613
+ ATOM 612 O SER A 76 -22.562 7.040 16.044 1.00 0.00 O
614
+ ATOM 613 OG SER A 76 -25.972 5.366 15.885 1.00 0.00 O
615
+ ATOM 614 N VAL A 77 -22.830 4.792 16.027 1.00 0.00 N
616
+ ATOM 615 CA VAL A 77 -21.714 4.612 16.951 1.00 0.00 C
617
+ ATOM 616 C VAL A 77 -20.402 4.964 16.251 1.00 0.00 C
618
+ ATOM 617 CB VAL A 77 -21.656 3.167 17.496 1.00 0.00 C
619
+ ATOM 618 O VAL A 77 -20.058 4.368 15.228 1.00 0.00 O
620
+ ATOM 619 CG1 VAL A 77 -20.495 3.006 18.476 1.00 0.00 C
621
+ ATOM 620 CG2 VAL A 77 -22.979 2.798 18.165 1.00 0.00 C
622
+ ATOM 621 N PHE A 78 -19.631 5.917 16.793 1.00 0.00 N
623
+ ATOM 622 CA PHE A 78 -18.452 6.490 16.154 1.00 0.00 C
624
+ ATOM 623 C PHE A 78 -17.254 6.451 17.093 1.00 0.00 C
625
+ ATOM 624 CB PHE A 78 -18.726 7.932 15.713 1.00 0.00 C
626
+ ATOM 625 O PHE A 78 -17.040 7.378 17.876 1.00 0.00 O
627
+ ATOM 626 CG PHE A 78 -17.724 8.466 14.726 1.00 0.00 C
628
+ ATOM 627 CD1 PHE A 78 -16.619 9.189 15.157 1.00 0.00 C
629
+ ATOM 628 CD2 PHE A 78 -17.886 8.243 13.365 1.00 0.00 C
630
+ ATOM 629 CE1 PHE A 78 -15.690 9.684 14.245 1.00 0.00 C
631
+ ATOM 630 CE2 PHE A 78 -16.963 8.733 12.447 1.00 0.00 C
632
+ ATOM 631 CZ PHE A 78 -15.865 9.455 12.889 1.00 0.00 C
633
+ ATOM 632 N PRO A 79 -16.406 5.497 17.045 1.00 0.00 N
634
+ ATOM 633 CA PRO A 79 -15.398 5.233 18.075 1.00 0.00 C
635
+ ATOM 634 C PRO A 79 -14.095 5.990 17.834 1.00 0.00 C
636
+ ATOM 635 CB PRO A 79 -15.178 3.720 17.972 1.00 0.00 C
637
+ ATOM 636 O PRO A 79 -13.150 5.867 18.618 1.00 0.00 O
638
+ ATOM 637 CG PRO A 79 -15.402 3.399 16.530 1.00 0.00 C
639
+ ATOM 638 CD PRO A 79 -16.518 4.264 16.017 1.00 0.00 C
640
+ ATOM 639 N PHE A 80 -13.956 6.878 16.778 1.00 0.00 N
641
+ ATOM 640 CA PHE A 80 -12.730 7.582 16.418 1.00 0.00 C
642
+ ATOM 641 C PHE A 80 -12.709 8.978 17.031 1.00 0.00 C
643
+ ATOM 642 CB PHE A 80 -12.588 7.676 14.896 1.00 0.00 C
644
+ ATOM 643 O PHE A 80 -13.738 9.655 17.079 1.00 0.00 O
645
+ ATOM 644 CG PHE A 80 -12.567 6.337 14.206 1.00 0.00 C
646
+ ATOM 645 CD1 PHE A 80 -11.395 5.596 14.130 1.00 0.00 C
647
+ ATOM 646 CD2 PHE A 80 -13.723 5.822 13.632 1.00 0.00 C
648
+ ATOM 647 CE1 PHE A 80 -11.373 4.359 13.492 1.00 0.00 C
649
+ ATOM 648 CE2 PHE A 80 -13.708 4.585 12.993 1.00 0.00 C
650
+ ATOM 649 CZ PHE A 80 -12.533 3.856 12.923 1.00 0.00 C
651
+ ATOM 650 N GLU A 81 -11.597 9.370 17.477 1.00 0.00 N
652
+ ATOM 651 CA GLU A 81 -11.386 10.708 18.022 1.00 0.00 C
653
+ ATOM 652 C GLU A 81 -10.183 11.386 17.371 1.00 0.00 C
654
+ ATOM 653 CB GLU A 81 -11.199 10.649 19.540 1.00 0.00 C
655
+ ATOM 654 O GLU A 81 -9.109 10.789 17.269 1.00 0.00 O
656
+ ATOM 655 CG GLU A 81 -12.476 10.330 20.304 1.00 0.00 C
657
+ ATOM 656 CD GLU A 81 -12.274 10.265 21.810 1.00 0.00 C
658
+ ATOM 657 OE1 GLU A 81 -12.557 9.206 22.414 1.00 0.00 O
659
+ ATOM 658 OE2 GLU A 81 -11.830 11.282 22.389 1.00 0.00 O
660
+ ATOM 659 N SER A 82 -10.334 12.603 16.956 1.00 0.00 N
661
+ ATOM 660 CA SER A 82 -9.261 13.369 16.329 1.00 0.00 C
662
+ ATOM 661 C SER A 82 -8.059 13.501 17.259 1.00 0.00 C
663
+ ATOM 662 CB SER A 82 -9.759 14.756 15.925 1.00 0.00 C
664
+ ATOM 663 O SER A 82 -8.217 13.760 18.453 1.00 0.00 O
665
+ ATOM 664 OG SER A 82 -10.754 14.662 14.921 1.00 0.00 O
666
+ ATOM 665 N GLY A 83 -6.972 13.267 16.648 1.00 0.00 N
667
+ ATOM 666 CA GLY A 83 -5.720 13.380 17.379 1.00 0.00 C
668
+ ATOM 667 C GLY A 83 -5.403 12.154 18.215 1.00 0.00 C
669
+ ATOM 668 O GLY A 83 -4.380 12.111 18.901 1.00 0.00 O
670
+ ATOM 669 N LYS A 84 -6.209 11.119 18.229 1.00 0.00 N
671
+ ATOM 670 CA LYS A 84 -6.019 9.946 19.077 1.00 0.00 C
672
+ ATOM 671 C LYS A 84 -5.633 8.725 18.247 1.00 0.00 C
673
+ ATOM 672 CB LYS A 84 -7.288 9.654 19.880 1.00 0.00 C
674
+ ATOM 673 O LYS A 84 -6.050 8.595 17.094 1.00 0.00 O
675
+ ATOM 674 CG LYS A 84 -7.672 10.757 20.854 1.00 0.00 C
676
+ ATOM 675 CD LYS A 84 -6.666 10.870 21.994 1.00 0.00 C
677
+ ATOM 676 CE LYS A 84 -7.110 11.893 23.031 1.00 0.00 C
678
+ ATOM 677 NZ LYS A 84 -6.160 11.963 24.182 1.00 0.00 N
679
+ ATOM 678 N PRO A 85 -4.806 7.849 18.882 1.00 0.00 N
680
+ ATOM 679 CA PRO A 85 -4.525 6.566 18.235 1.00 0.00 C
681
+ ATOM 680 C PRO A 85 -5.763 5.682 18.113 1.00 0.00 C
682
+ ATOM 681 CB PRO A 85 -3.484 5.926 19.157 1.00 0.00 C
683
+ ATOM 682 O PRO A 85 -6.701 5.815 18.905 1.00 0.00 O
684
+ ATOM 683 CG PRO A 85 -3.768 6.499 20.508 1.00 0.00 C
685
+ ATOM 684 CD PRO A 85 -4.279 7.899 20.334 1.00 0.00 C
686
+ ATOM 685 N PHE A 86 -5.759 4.831 17.105 1.00 0.00 N
687
+ ATOM 686 CA PHE A 86 -6.809 3.834 16.934 1.00 0.00 C
688
+ ATOM 687 C PHE A 86 -6.224 2.505 16.471 1.00 0.00 C
689
+ ATOM 688 CB PHE A 86 -7.858 4.323 15.930 1.00 0.00 C
690
+ ATOM 689 O PHE A 86 -5.140 2.469 15.886 1.00 0.00 O
691
+ ATOM 690 CG PHE A 86 -7.343 4.433 14.520 1.00 0.00 C
692
+ ATOM 691 CD1 PHE A 86 -6.931 5.658 14.008 1.00 0.00 C
693
+ ATOM 692 CD2 PHE A 86 -7.271 3.311 13.705 1.00 0.00 C
694
+ ATOM 693 CE1 PHE A 86 -6.455 5.762 12.704 1.00 0.00 C
695
+ ATOM 694 CE2 PHE A 86 -6.796 3.407 12.400 1.00 0.00 C
696
+ ATOM 695 CZ PHE A 86 -6.390 4.634 11.901 1.00 0.00 C
697
+ ATOM 696 N LYS A 87 -6.887 1.434 16.809 1.00 0.00 N
698
+ ATOM 697 CA LYS A 87 -6.719 0.091 16.260 1.00 0.00 C
699
+ ATOM 698 C LYS A 87 -7.996 -0.387 15.576 1.00 0.00 C
700
+ ATOM 699 CB LYS A 87 -6.315 -0.892 17.360 1.00 0.00 C
701
+ ATOM 700 O LYS A 87 -9.043 -0.505 16.217 1.00 0.00 O
702
+ ATOM 701 CG LYS A 87 -6.125 -2.321 16.873 1.00 0.00 C
703
+ ATOM 702 CD LYS A 87 -5.596 -3.224 17.981 1.00 0.00 C
704
+ ATOM 703 CE LYS A 87 -6.728 -3.909 18.734 1.00 0.00 C
705
+ ATOM 704 NZ LYS A 87 -6.213 -4.883 19.742 1.00 0.00 N
706
+ ATOM 705 N ILE A 88 -7.967 -0.609 14.239 1.00 0.00 N
707
+ ATOM 706 CA ILE A 88 -9.053 -1.261 13.515 1.00 0.00 C
708
+ ATOM 707 C ILE A 88 -8.695 -2.723 13.255 1.00 0.00 C
709
+ ATOM 708 CB ILE A 88 -9.359 -0.538 12.185 1.00 0.00 C
710
+ ATOM 709 O ILE A 88 -7.583 -3.027 12.816 1.00 0.00 O
711
+ ATOM 710 CG1 ILE A 88 -9.707 0.932 12.443 1.00 0.00 C
712
+ ATOM 711 CG2 ILE A 88 -10.491 -1.246 11.434 1.00 0.00 C
713
+ ATOM 712 CD1 ILE A 88 -9.726 1.794 11.188 1.00 0.00 C
714
+ ATOM 713 N GLN A 89 -9.620 -3.612 13.529 1.00 0.00 N
715
+ ATOM 714 CA GLN A 89 -9.531 -5.019 13.152 1.00 0.00 C
716
+ ATOM 715 C GLN A 89 -10.706 -5.427 12.267 1.00 0.00 C
717
+ ATOM 716 CB GLN A 89 -9.477 -5.907 14.396 1.00 0.00 C
718
+ ATOM 717 O GLN A 89 -11.863 -5.171 12.607 1.00 0.00 O
719
+ ATOM 718 CG GLN A 89 -8.213 -5.728 15.225 1.00 0.00 C
720
+ ATOM 719 CD GLN A 89 -8.210 -6.577 16.482 1.00 0.00 C
721
+ ATOM 720 NE2 GLN A 89 -7.354 -7.593 16.509 1.00 0.00 N
722
+ ATOM 721 OE1 GLN A 89 -8.970 -6.323 17.422 1.00 0.00 O
723
+ ATOM 722 N VAL A 90 -10.407 -6.011 11.101 1.00 0.00 N
724
+ ATOM 723 CA VAL A 90 -11.420 -6.568 10.209 1.00 0.00 C
725
+ ATOM 724 C VAL A 90 -11.232 -8.079 10.094 1.00 0.00 C
726
+ ATOM 725 CB VAL A 90 -11.364 -5.916 8.810 1.00 0.00 C
727
+ ATOM 726 O VAL A 90 -10.227 -8.546 9.555 1.00 0.00 O
728
+ ATOM 727 CG1 VAL A 90 -12.514 -6.415 7.936 1.00 0.00 C
729
+ ATOM 728 CG2 VAL A 90 -11.402 -4.393 8.929 1.00 0.00 C
730
+ ATOM 729 N LEU A 91 -12.150 -8.831 10.642 1.00 0.00 N
731
+ ATOM 730 CA LEU A 91 -12.155 -10.284 10.516 1.00 0.00 C
732
+ ATOM 731 C LEU A 91 -13.013 -10.725 9.335 1.00 0.00 C
733
+ ATOM 732 CB LEU A 91 -12.667 -10.933 11.804 1.00 0.00 C
734
+ ATOM 733 O LEU A 91 -14.185 -10.355 9.242 1.00 0.00 O
735
+ ATOM 734 CG LEU A 91 -12.727 -12.461 11.817 1.00 0.00 C
736
+ ATOM 735 CD1 LEU A 91 -11.328 -13.048 11.655 1.00 0.00 C
737
+ ATOM 736 CD2 LEU A 91 -13.376 -12.961 13.103 1.00 0.00 C
738
+ ATOM 737 N VAL A 92 -12.430 -11.547 8.475 1.00 0.00 N
739
+ ATOM 738 CA VAL A 92 -13.167 -12.135 7.360 1.00 0.00 C
740
+ ATOM 739 C VAL A 92 -13.909 -13.383 7.833 1.00 0.00 C
741
+ ATOM 740 CB VAL A 92 -12.230 -12.485 6.183 1.00 0.00 C
742
+ ATOM 741 O VAL A 92 -13.288 -14.343 8.296 1.00 0.00 O
743
+ ATOM 742 CG1 VAL A 92 -13.033 -12.996 4.988 1.00 0.00 C
744
+ ATOM 743 CG2 VAL A 92 -11.393 -11.270 5.787 1.00 0.00 C
745
+ ATOM 744 N GLU A 93 -15.215 -13.333 7.722 1.00 0.00 N
746
+ ATOM 745 CA GLU A 93 -16.073 -14.487 7.971 1.00 0.00 C
747
+ ATOM 746 C GLU A 93 -16.683 -15.012 6.675 1.00 0.00 C
748
+ ATOM 747 CB GLU A 93 -17.180 -14.129 8.967 1.00 0.00 C
749
+ ATOM 748 O GLU A 93 -16.616 -14.350 5.638 1.00 0.00 O
750
+ ATOM 749 CG GLU A 93 -16.666 -13.754 10.349 1.00 0.00 C
751
+ ATOM 750 CD GLU A 93 -16.191 -14.952 11.157 1.00 0.00 C
752
+ ATOM 751 OE1 GLU A 93 -15.795 -14.774 12.331 1.00 0.00 O
753
+ ATOM 752 OE2 GLU A 93 -16.214 -16.077 10.611 1.00 0.00 O
754
+ ATOM 753 N PRO A 94 -17.245 -16.227 6.650 1.00 0.00 N
755
+ ATOM 754 CA PRO A 94 -17.761 -16.820 5.415 1.00 0.00 C
756
+ ATOM 755 C PRO A 94 -18.847 -15.969 4.760 1.00 0.00 C
757
+ ATOM 756 CB PRO A 94 -18.327 -18.165 5.879 1.00 0.00 C
758
+ ATOM 757 O PRO A 94 -18.985 -15.973 3.535 1.00 0.00 O
759
+ ATOM 758 CG PRO A 94 -17.488 -18.547 7.054 1.00 0.00 C
760
+ ATOM 759 CD PRO A 94 -17.165 -17.306 7.835 1.00 0.00 C
761
+ ATOM 760 N ASP A 95 -19.558 -15.180 5.603 1.00 0.00 N
762
+ ATOM 761 CA ASP A 95 -20.728 -14.511 5.044 1.00 0.00 C
763
+ ATOM 762 C ASP A 95 -20.697 -13.012 5.338 1.00 0.00 C
764
+ ATOM 763 CB ASP A 95 -22.014 -15.128 5.599 1.00 0.00 C
765
+ ATOM 764 O ASP A 95 -21.547 -12.263 4.855 1.00 0.00 O
766
+ ATOM 765 CG ASP A 95 -22.078 -15.105 7.116 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 95 -21.075 -14.735 7.762 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 95 -23.140 -15.463 7.669 1.00 0.00 O
769
+ ATOM 768 N HIS A 96 -19.789 -12.521 6.112 1.00 0.00 N
770
+ ATOM 769 CA HIS A 96 -19.715 -11.102 6.443 1.00 0.00 C
771
+ ATOM 770 C HIS A 96 -18.290 -10.694 6.801 1.00 0.00 C
772
+ ATOM 771 CB HIS A 96 -20.661 -10.772 7.598 1.00 0.00 C
773
+ ATOM 772 O HIS A 96 -17.441 -11.550 7.058 1.00 0.00 O
774
+ ATOM 773 CG HIS A 96 -20.330 -11.487 8.869 1.00 0.00 C
775
+ ATOM 774 CD2 HIS A 96 -19.623 -11.092 9.953 1.00 0.00 C
776
+ ATOM 775 ND1 HIS A 96 -20.743 -12.776 9.126 1.00 0.00 N
777
+ ATOM 776 CE1 HIS A 96 -20.302 -13.144 10.317 1.00 0.00 C
778
+ ATOM 777 NE2 HIS A 96 -19.620 -12.141 10.840 1.00 0.00 N
779
+ ATOM 778 N PHE A 97 -18.012 -9.378 6.700 1.00 0.00 N
780
+ ATOM 779 CA PHE A 97 -16.908 -8.759 7.424 1.00 0.00 C
781
+ ATOM 780 C PHE A 97 -17.339 -8.359 8.830 1.00 0.00 C
782
+ ATOM 781 CB PHE A 97 -16.388 -7.532 6.667 1.00 0.00 C
783
+ ATOM 782 O PHE A 97 -18.399 -7.756 9.012 1.00 0.00 O
784
+ ATOM 783 CG PHE A 97 -15.762 -7.859 5.338 1.00 0.00 C
785
+ ATOM 784 CD1 PHE A 97 -14.520 -8.478 5.272 1.00 0.00 C
786
+ ATOM 785 CD2 PHE A 97 -16.418 -7.549 4.153 1.00 0.00 C
787
+ ATOM 786 CE1 PHE A 97 -13.938 -8.782 4.044 1.00 0.00 C
788
+ ATOM 787 CE2 PHE A 97 -15.842 -7.850 2.922 1.00 0.00 C
789
+ ATOM 788 CZ PHE A 97 -14.603 -8.466 2.869 1.00 0.00 C
790
+ ATOM 789 N LYS A 98 -16.494 -8.702 9.815 1.00 0.00 N
791
+ ATOM 790 CA LYS A 98 -16.680 -8.232 11.185 1.00 0.00 C
792
+ ATOM 791 C LYS A 98 -15.638 -7.179 11.552 1.00 0.00 C
793
+ ATOM 792 CB LYS A 98 -16.610 -9.402 12.168 1.00 0.00 C
794
+ ATOM 793 O LYS A 98 -14.435 -7.417 11.425 1.00 0.00 O
795
+ ATOM 794 CG LYS A 98 -17.195 -9.095 13.538 1.00 0.00 C
796
+ ATOM 795 CD LYS A 98 -17.135 -10.309 14.456 1.00 0.00 C
797
+ ATOM 796 CE LYS A 98 -18.144 -10.202 15.592 1.00 0.00 C
798
+ ATOM 797 NZ LYS A 98 -18.166 -11.438 16.431 1.00 0.00 N
799
+ ATOM 798 N VAL A 99 -16.141 -5.970 12.024 1.00 0.00 N
800
+ ATOM 799 CA VAL A 99 -15.240 -4.864 12.333 1.00 0.00 C
801
+ ATOM 800 C VAL A 99 -15.249 -4.595 13.836 1.00 0.00 C
802
+ ATOM 801 CB VAL A 99 -15.627 -3.584 11.560 1.00 0.00 C
803
+ ATOM 802 O VAL A 99 -16.314 -4.489 14.448 1.00 0.00 O
804
+ ATOM 803 CG1 VAL A 99 -14.624 -2.465 11.832 1.00 0.00 C
805
+ ATOM 804 CG2 VAL A 99 -15.717 -3.872 10.062 1.00 0.00 C
806
+ ATOM 805 N ALA A 100 -14.059 -4.515 14.436 1.00 0.00 N
807
+ ATOM 806 CA ALA A 100 -13.829 -4.000 15.783 1.00 0.00 C
808
+ ATOM 807 C ALA A 100 -12.914 -2.779 15.754 1.00 0.00 C
809
+ ATOM 808 CB ALA A 100 -13.234 -5.087 16.674 1.00 0.00 C
810
+ ATOM 809 O ALA A 100 -12.001 -2.700 14.928 1.00 0.00 O
811
+ ATOM 810 N VAL A 101 -13.172 -1.844 16.592 1.00 0.00 N
812
+ ATOM 811 CA VAL A 101 -12.310 -0.684 16.799 1.00 0.00 C
813
+ ATOM 812 C VAL A 101 -11.931 -0.577 18.273 1.00 0.00 C
814
+ ATOM 813 CB VAL A 101 -12.993 0.621 16.328 1.00 0.00 C
815
+ ATOM 814 O VAL A 101 -12.797 -0.634 19.149 1.00 0.00 O
816
+ ATOM 815 CG1 VAL A 101 -12.068 1.818 16.536 1.00 0.00 C
817
+ ATOM 816 CG2 VAL A 101 -13.405 0.508 14.860 1.00 0.00 C
818
+ ATOM 817 N ASN A 102 -10.608 -0.521 18.501 1.00 0.00 N
819
+ ATOM 818 CA ASN A 102 -10.038 -0.466 19.842 1.00 0.00 C
820
+ ATOM 819 C ASN A 102 -10.538 -1.617 20.712 1.00 0.00 C
821
+ ATOM 820 CB ASN A 102 -10.354 0.876 20.507 1.00 0.00 C
822
+ ATOM 821 O ASN A 102 -11.018 -1.397 21.824 1.00 0.00 O
823
+ ATOM 822 CG ASN A 102 -9.786 2.054 19.741 1.00 0.00 C
824
+ ATOM 823 ND2 ASN A 102 -10.443 3.204 19.848 1.00 0.00 N
825
+ ATOM 824 OD1 ASN A 102 -8.765 1.933 19.057 1.00 0.00 O
826
+ ATOM 825 N ASP A 103 -10.565 -2.780 20.071 1.00 0.00 N
827
+ ATOM 826 CA ASP A 103 -10.844 -4.089 20.653 1.00 0.00 C
828
+ ATOM 827 C ASP A 103 -12.318 -4.222 21.028 1.00 0.00 C
829
+ ATOM 828 CB ASP A 103 -9.965 -4.328 21.882 1.00 0.00 C
830
+ ATOM 829 O ASP A 103 -12.713 -5.188 21.684 1.00 0.00 O
831
+ ATOM 830 CG ASP A 103 -8.480 -4.233 21.578 1.00 0.00 C
832
+ ATOM 831 OD1 ASP A 103 -8.032 -4.783 20.548 1.00 0.00 O
833
+ ATOM 832 OD2 ASP A 103 -7.751 -3.605 22.376 1.00 0.00 O
834
+ ATOM 833 N ALA A 104 -13.217 -3.303 20.620 1.00 0.00 N
835
+ ATOM 834 CA ALA A 104 -14.667 -3.373 20.783 1.00 0.00 C
836
+ ATOM 835 C ALA A 104 -15.356 -3.659 19.451 1.00 0.00 C
837
+ ATOM 836 CB ALA A 104 -15.198 -2.074 21.384 1.00 0.00 C
838
+ ATOM 837 O ALA A 104 -15.051 -3.025 18.439 1.00 0.00 O
839
+ ATOM 838 N HIS A 105 -16.316 -4.609 19.528 1.00 0.00 N
840
+ ATOM 839 CA HIS A 105 -17.116 -4.874 18.338 1.00 0.00 C
841
+ ATOM 840 C HIS A 105 -17.864 -3.624 17.888 1.00 0.00 C
842
+ ATOM 841 CB HIS A 105 -18.105 -6.012 18.600 1.00 0.00 C
843
+ ATOM 842 O HIS A 105 -18.501 -2.949 18.701 1.00 0.00 O
844
+ ATOM 843 CG HIS A 105 -19.032 -6.276 17.457 1.00 0.00 C
845
+ ATOM 844 CD2 HIS A 105 -20.348 -6.002 17.298 1.00 0.00 C
846
+ ATOM 845 ND1 HIS A 105 -18.625 -6.900 16.298 1.00 0.00 N
847
+ ATOM 846 CE1 HIS A 105 -19.654 -6.997 15.473 1.00 0.00 C
848
+ ATOM 847 NE2 HIS A 105 -20.712 -6.461 16.056 1.00 0.00 N
849
+ ATOM 848 N LEU A 106 -17.788 -3.357 16.529 1.00 0.00 N
850
+ ATOM 849 CA LEU A 106 -18.439 -2.161 16.005 1.00 0.00 C
851
+ ATOM 850 C LEU A 106 -19.594 -2.532 15.081 1.00 0.00 C
852
+ ATOM 851 CB LEU A 106 -17.430 -1.287 15.255 1.00 0.00 C
853
+ ATOM 852 O LEU A 106 -20.720 -2.066 15.271 1.00 0.00 O
854
+ ATOM 853 CG LEU A 106 -17.976 0.005 14.645 1.00 0.00 C
855
+ ATOM 854 CD1 LEU A 106 -18.482 0.937 15.740 1.00 0.00 C
856
+ ATOM 855 CD2 LEU A 106 -16.906 0.692 13.802 1.00 0.00 C
857
+ ATOM 856 N LEU A 107 -19.290 -3.389 14.055 1.00 0.00 N
858
+ ATOM 857 CA LEU A 107 -20.335 -3.729 13.096 1.00 0.00 C
859
+ ATOM 858 C LEU A 107 -20.005 -5.030 12.373 1.00 0.00 C
860
+ ATOM 859 CB LEU A 107 -20.520 -2.599 12.080 1.00 0.00 C
861
+ ATOM 860 O LEU A 107 -18.884 -5.535 12.474 1.00 0.00 O
862
+ ATOM 861 CG LEU A 107 -19.308 -2.268 11.207 1.00 0.00 C
863
+ ATOM 862 CD1 LEU A 107 -19.223 -3.231 10.029 1.00 0.00 C
864
+ ATOM 863 CD2 LEU A 107 -19.379 -0.824 10.720 1.00 0.00 C
865
+ ATOM 864 N GLN A 108 -21.039 -5.585 11.713 1.00 0.00 N
866
+ ATOM 865 CA GLN A 108 -20.907 -6.620 10.694 1.00 0.00 C
867
+ ATOM 866 C GLN A 108 -21.429 -6.134 9.345 1.00 0.00 C
868
+ ATOM 867 CB GLN A 108 -21.651 -7.889 11.117 1.00 0.00 C
869
+ ATOM 868 O GLN A 108 -22.445 -5.441 9.280 1.00 0.00 O
870
+ ATOM 869 CG GLN A 108 -21.058 -8.570 12.343 1.00 0.00 C
871
+ ATOM 870 CD GLN A 108 -21.844 -9.794 12.773 1.00 0.00 C
872
+ ATOM 871 NE2 GLN A 108 -21.468 -10.372 13.909 1.00 0.00 N
873
+ ATOM 872 OE1 GLN A 108 -22.783 -10.216 12.090 1.00 0.00 O
874
+ ATOM 873 N TYR A 109 -20.720 -6.432 8.324 1.00 0.00 N
875
+ ATOM 874 CA TYR A 109 -21.140 -6.112 6.964 1.00 0.00 C
876
+ ATOM 875 C TYR A 109 -21.287 -7.376 6.127 1.00 0.00 C
877
+ ATOM 876 CB TYR A 109 -20.139 -5.160 6.303 1.00 0.00 C
878
+ ATOM 877 O TYR A 109 -20.291 -8.018 5.780 1.00 0.00 O
879
+ ATOM 878 CG TYR A 109 -20.568 -4.681 4.938 1.00 0.00 C
880
+ ATOM 879 CD1 TYR A 109 -20.111 -5.309 3.781 1.00 0.00 C
881
+ ATOM 880 CD2 TYR A 109 -21.431 -3.598 4.800 1.00 0.00 C
882
+ ATOM 881 CE1 TYR A 109 -20.503 -4.869 2.521 1.00 0.00 C
883
+ ATOM 882 CE2 TYR A 109 -21.829 -3.150 3.545 1.00 0.00 C
884
+ ATOM 883 OH TYR A 109 -21.752 -3.353 1.167 1.00 0.00 O
885
+ ATOM 884 CZ TYR A 109 -21.361 -3.792 2.413 1.00 0.00 C
886
+ ATOM 885 N ASN A 110 -22.556 -7.720 5.758 1.00 0.00 N
887
+ ATOM 886 CA ASN A 110 -22.811 -8.926 4.976 1.00 0.00 C
888
+ ATOM 887 C ASN A 110 -22.224 -8.817 3.572 1.00 0.00 C
889
+ ATOM 888 CB ASN A 110 -24.312 -9.212 4.905 1.00 0.00 C
890
+ ATOM 889 O ASN A 110 -22.416 -7.806 2.891 1.00 0.00 O
891
+ ATOM 890 CG ASN A 110 -24.893 -9.618 6.245 1.00 0.00 C
892
+ ATOM 891 ND2 ASN A 110 -26.169 -9.316 6.453 1.00 0.00 N
893
+ ATOM 892 OD1 ASN A 110 -24.201 -10.198 7.086 1.00 0.00 O
894
+ ATOM 893 N HIS A 111 -21.521 -9.882 3.204 1.00 0.00 N
895
+ ATOM 894 CA HIS A 111 -20.894 -9.896 1.887 1.00 0.00 C
896
+ ATOM 895 C HIS A 111 -21.930 -9.719 0.783 1.00 0.00 C
897
+ ATOM 896 CB HIS A 111 -20.119 -11.197 1.677 1.00 0.00 C
898
+ ATOM 897 O HIS A 111 -22.901 -10.477 0.709 1.00 0.00 O
899
+ ATOM 898 CG HIS A 111 -18.985 -11.383 2.635 1.00 0.00 C
900
+ ATOM 899 CD2 HIS A 111 -18.550 -12.482 3.295 1.00 0.00 C
901
+ ATOM 900 ND1 HIS A 111 -18.154 -10.351 3.013 1.00 0.00 N
902
+ ATOM 901 CE1 HIS A 111 -17.253 -10.808 3.865 1.00 0.00 C
903
+ ATOM 902 NE2 HIS A 111 -17.471 -12.099 4.053 1.00 0.00 N
904
+ ATOM 903 N ARG A 112 -21.668 -8.839 -0.102 1.00 0.00 N
905
+ ATOM 904 CA ARG A 112 -22.446 -8.691 -1.328 1.00 0.00 C
906
+ ATOM 905 C ARG A 112 -21.695 -9.263 -2.526 1.00 0.00 C
907
+ ATOM 906 CB ARG A 112 -22.783 -7.218 -1.575 1.00 0.00 C
908
+ ATOM 907 O ARG A 112 -22.279 -9.463 -3.593 1.00 0.00 O
909
+ ATOM 908 CG ARG A 112 -23.622 -6.586 -0.476 1.00 0.00 C
910
+ ATOM 909 CD ARG A 112 -23.953 -5.133 -0.785 1.00 0.00 C
911
+ ATOM 910 NE ARG A 112 -24.609 -4.478 0.343 1.00 0.00 N
912
+ ATOM 911 NH1 ARG A 112 -24.609 -2.374 -0.611 1.00 0.00 N
913
+ ATOM 912 NH2 ARG A 112 -25.504 -2.691 1.475 1.00 0.00 N
914
+ ATOM 913 CZ ARG A 112 -24.906 -3.182 0.399 1.00 0.00 C
915
+ ATOM 914 N VAL A 113 -20.426 -9.475 -2.292 1.00 0.00 N
916
+ ATOM 915 CA VAL A 113 -19.539 -10.151 -3.233 1.00 0.00 C
917
+ ATOM 916 C VAL A 113 -19.231 -11.560 -2.733 1.00 0.00 C
918
+ ATOM 917 CB VAL A 113 -18.226 -9.362 -3.443 1.00 0.00 C
919
+ ATOM 918 O VAL A 113 -18.760 -11.738 -1.607 1.00 0.00 O
920
+ ATOM 919 CG1 VAL A 113 -17.285 -10.120 -4.379 1.00 0.00 C
921
+ ATOM 920 CG2 VAL A 113 -18.525 -7.969 -3.993 1.00 0.00 C
922
+ ATOM 921 N LYS A 114 -19.429 -12.544 -3.592 1.00 0.00 N
923
+ ATOM 922 CA LYS A 114 -19.299 -13.936 -3.172 1.00 0.00 C
924
+ ATOM 923 C LYS A 114 -17.883 -14.452 -3.412 1.00 0.00 C
925
+ ATOM 924 CB LYS A 114 -20.310 -14.816 -3.908 1.00 0.00 C
926
+ ATOM 925 O LYS A 114 -17.399 -15.317 -2.679 1.00 0.00 O
927
+ ATOM 926 CG LYS A 114 -21.761 -14.511 -3.565 1.00 0.00 C
928
+ ATOM 927 CD LYS A 114 -22.539 -15.782 -3.250 1.00 0.00 C
929
+ ATOM 928 CE LYS A 114 -24.003 -15.483 -2.955 1.00 0.00 C
930
+ ATOM 929 NZ LYS A 114 -24.748 -16.712 -2.547 1.00 0.00 N
931
+ ATOM 930 N LYS A 115 -17.213 -13.970 -4.373 1.00 0.00 N
932
+ ATOM 931 CA LYS A 115 -15.865 -14.424 -4.703 1.00 0.00 C
933
+ ATOM 932 C LYS A 115 -14.819 -13.693 -3.867 1.00 0.00 C
934
+ ATOM 933 CB LYS A 115 -15.579 -14.223 -6.193 1.00 0.00 C
935
+ ATOM 934 O LYS A 115 -14.073 -12.860 -4.386 1.00 0.00 O
936
+ ATOM 935 CG LYS A 115 -16.451 -15.068 -7.108 1.00 0.00 C
937
+ ATOM 936 CD LYS A 115 -16.077 -14.873 -8.573 1.00 0.00 C
938
+ ATOM 937 CE LYS A 115 -16.983 -15.677 -9.495 1.00 0.00 C
939
+ ATOM 938 NZ LYS A 115 -16.640 -15.463 -10.932 1.00 0.00 N
940
+ ATOM 939 N LEU A 116 -14.622 -14.112 -2.606 1.00 0.00 N
941
+ ATOM 940 CA LEU A 116 -13.789 -13.451 -1.608 1.00 0.00 C
942
+ ATOM 941 C LEU A 116 -12.316 -13.521 -1.996 1.00 0.00 C
943
+ ATOM 942 CB LEU A 116 -13.996 -14.086 -0.230 1.00 0.00 C
944
+ ATOM 943 O LEU A 116 -11.562 -12.574 -1.760 1.00 0.00 O
945
+ ATOM 944 CG LEU A 116 -15.402 -13.981 0.361 1.00 0.00 C
946
+ ATOM 945 CD1 LEU A 116 -15.437 -14.591 1.758 1.00 0.00 C
947
+ ATOM 946 CD2 LEU A 116 -15.861 -12.527 0.395 1.00 0.00 C
948
+ ATOM 947 N ASN A 117 -11.998 -14.654 -2.608 1.00 0.00 N
949
+ ATOM 948 CA ASN A 117 -10.618 -14.903 -3.010 1.00 0.00 C
950
+ ATOM 949 C ASN A 117 -10.161 -13.924 -4.087 1.00 0.00 C
951
+ ATOM 950 CB ASN A 117 -10.452 -16.344 -3.496 1.00 0.00 C
952
+ ATOM 951 O ASN A 117 -8.966 -13.814 -4.367 1.00 0.00 O
953
+ ATOM 952 CG ASN A 117 -11.268 -16.637 -4.740 1.00 0.00 C
954
+ ATOM 953 ND2 ASN A 117 -10.652 -17.307 -5.708 1.00 0.00 N
955
+ ATOM 954 OD1 ASN A 117 -12.440 -16.265 -4.831 1.00 0.00 O
956
+ ATOM 955 N GLU A 118 -11.076 -13.216 -4.669 1.00 0.00 N
957
+ ATOM 956 CA GLU A 118 -10.736 -12.224 -5.683 1.00 0.00 C
958
+ ATOM 957 C GLU A 118 -10.476 -10.859 -5.053 1.00 0.00 C
959
+ ATOM 958 CB GLU A 118 -11.850 -12.118 -6.727 1.00 0.00 C
960
+ ATOM 959 O GLU A 118 -10.015 -9.935 -5.727 1.00 0.00 O
961
+ ATOM 960 CG GLU A 118 -12.007 -13.362 -7.588 1.00 0.00 C
962
+ ATOM 961 CD GLU A 118 -13.125 -13.247 -8.611 1.00 0.00 C
963
+ ATOM 962 OE1 GLU A 118 -13.444 -14.258 -9.278 1.00 0.00 O
964
+ ATOM 963 OE2 GLU A 118 -13.685 -12.137 -8.749 1.00 0.00 O
965
+ ATOM 964 N ILE A 119 -10.788 -10.687 -3.806 1.00 0.00 N
966
+ ATOM 965 CA ILE A 119 -10.448 -9.472 -3.074 1.00 0.00 C
967
+ ATOM 966 C ILE A 119 -8.946 -9.436 -2.803 1.00 0.00 C
968
+ ATOM 967 CB ILE A 119 -11.234 -9.374 -1.746 1.00 0.00 C
969
+ ATOM 968 O ILE A 119 -8.471 -10.012 -1.823 1.00 0.00 O
970
+ ATOM 969 CG1 ILE A 119 -12.738 -9.521 -2.004 1.00 0.00 C
971
+ ATOM 970 CG2 ILE A 119 -10.926 -8.054 -1.033 1.00 0.00 C
972
+ ATOM 971 CD1 ILE A 119 -13.576 -9.621 -0.737 1.00 0.00 C
973
+ ATOM 972 N SER A 120 -8.198 -8.722 -3.609 1.00 0.00 N
974
+ ATOM 973 CA SER A 120 -6.756 -8.917 -3.713 1.00 0.00 C
975
+ ATOM 974 C SER A 120 -5.995 -7.756 -3.082 1.00 0.00 C
976
+ ATOM 975 CB SER A 120 -6.340 -9.074 -5.177 1.00 0.00 C
977
+ ATOM 976 O SER A 120 -4.767 -7.797 -2.975 1.00 0.00 O
978
+ ATOM 977 OG SER A 120 -6.724 -7.939 -5.934 1.00 0.00 O
979
+ ATOM 978 N LYS A 121 -6.722 -6.736 -2.633 1.00 0.00 N
980
+ ATOM 979 CA LYS A 121 -6.064 -5.530 -2.142 1.00 0.00 C
981
+ ATOM 980 C LYS A 121 -6.933 -4.806 -1.118 1.00 0.00 C
982
+ ATOM 981 CB LYS A 121 -5.728 -4.591 -3.302 1.00 0.00 C
983
+ ATOM 982 O LYS A 121 -8.153 -4.731 -1.275 1.00 0.00 O
984
+ ATOM 983 CG LYS A 121 -4.964 -3.342 -2.885 1.00 0.00 C
985
+ ATOM 984 CD LYS A 121 -4.605 -2.480 -4.089 1.00 0.00 C
986
+ ATOM 985 CE LYS A 121 -5.833 -1.791 -4.671 1.00 0.00 C
987
+ ATOM 986 NZ LYS A 121 -5.479 -0.907 -5.821 1.00 0.00 N
988
+ ATOM 987 N LEU A 122 -6.245 -4.276 -0.085 1.00 0.00 N
989
+ ATOM 988 CA LEU A 122 -6.853 -3.276 0.786 1.00 0.00 C
990
+ ATOM 989 C LEU A 122 -6.236 -1.901 0.548 1.00 0.00 C
991
+ ATOM 990 CB LEU A 122 -6.689 -3.673 2.255 1.00 0.00 C
992
+ ATOM 991 O LEU A 122 -5.047 -1.697 0.802 1.00 0.00 O
993
+ ATOM 992 CG LEU A 122 -7.046 -2.606 3.290 1.00 0.00 C
994
+ ATOM 993 CD1 LEU A 122 -8.530 -2.263 3.207 1.00 0.00 C
995
+ ATOM 994 CD2 LEU A 122 -6.679 -3.077 4.693 1.00 0.00 C
996
+ ATOM 995 N GLY A 123 -7.021 -0.951 0.018 1.00 0.00 N
997
+ ATOM 996 CA GLY A 123 -6.644 0.453 -0.037 1.00 0.00 C
998
+ ATOM 997 C GLY A 123 -6.976 1.211 1.235 1.00 0.00 C
999
+ ATOM 998 O GLY A 123 -8.101 1.133 1.733 1.00 0.00 O
1000
+ ATOM 999 N ILE A 124 -6.097 1.910 1.850 1.00 0.00 N
1001
+ ATOM 1000 CA ILE A 124 -6.236 2.755 3.032 1.00 0.00 C
1002
+ ATOM 1001 C ILE A 124 -5.982 4.214 2.657 1.00 0.00 C
1003
+ ATOM 1002 CB ILE A 124 -5.271 2.316 4.157 1.00 0.00 C
1004
+ ATOM 1003 O ILE A 124 -4.950 4.539 2.065 1.00 0.00 O
1005
+ ATOM 1004 CG1 ILE A 124 -5.425 0.816 4.438 1.00 0.00 C
1006
+ ATOM 1005 CG2 ILE A 124 -5.511 3.139 5.426 1.00 0.00 C
1007
+ ATOM 1006 CD1 ILE A 124 -4.338 0.240 5.334 1.00 0.00 C
1008
+ ATOM 1007 N SER A 125 -6.927 5.100 2.970 1.00 0.00 N
1009
+ ATOM 1008 CA SER A 125 -6.814 6.504 2.590 1.00 0.00 C
1010
+ ATOM 1009 C SER A 125 -7.532 7.407 3.587 1.00 0.00 C
1011
+ ATOM 1010 CB SER A 125 -7.381 6.728 1.187 1.00 0.00 C
1012
+ ATOM 1011 O SER A 125 -8.309 6.930 4.417 1.00 0.00 O
1013
+ ATOM 1012 OG SER A 125 -8.764 6.418 1.149 1.00 0.00 O
1014
+ ATOM 1013 N GLY A 126 -7.287 8.753 3.451 1.00 0.00 N
1015
+ ATOM 1014 CA GLY A 126 -7.930 9.748 4.295 1.00 0.00 C
1016
+ ATOM 1015 C GLY A 126 -6.982 10.389 5.291 1.00 0.00 C
1017
+ ATOM 1016 O GLY A 126 -5.785 10.517 5.023 1.00 0.00 O
1018
+ ATOM 1017 N ASP A 127 -7.527 10.893 6.391 1.00 0.00 N
1019
+ ATOM 1018 CA ASP A 127 -6.852 11.821 7.293 1.00 0.00 C
1020
+ ATOM 1019 C ASP A 127 -6.287 11.091 8.510 1.00 0.00 C
1021
+ ATOM 1020 CB ASP A 127 -7.811 12.926 7.740 1.00 0.00 C
1022
+ ATOM 1021 O ASP A 127 -6.687 11.363 9.643 1.00 0.00 O
1023
+ ATOM 1022 CG ASP A 127 -8.414 13.696 6.579 1.00 0.00 C
1024
+ ATOM 1023 OD1 ASP A 127 -7.659 14.146 5.689 1.00 0.00 O
1025
+ ATOM 1024 OD2 ASP A 127 -9.652 13.857 6.554 1.00 0.00 O
1026
+ ATOM 1025 N ILE A 128 -5.283 10.240 8.281 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 128 -4.666 9.452 9.343 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 128 -3.149 9.451 9.171 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 128 -5.204 8.003 9.357 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 128 -2.645 9.597 8.054 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 128 -4.906 7.310 8.023 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 128 -6.706 7.988 9.659 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 128 -5.195 5.815 8.025 1.00 0.00 C
1034
+ ATOM 1033 N ASP A 129 -2.466 9.341 10.197 1.00 0.00 N
1035
+ ATOM 1034 CA ASP A 129 -1.084 8.875 10.222 1.00 0.00 C
1036
+ ATOM 1035 C ASP A 129 -1.018 7.366 10.451 1.00 0.00 C
1037
+ ATOM 1036 CB ASP A 129 -0.290 9.606 11.307 1.00 0.00 C
1038
+ ATOM 1037 O ASP A 129 -1.269 6.889 11.560 1.00 0.00 O
1039
+ ATOM 1038 CG ASP A 129 -0.189 11.102 11.061 1.00 0.00 C
1040
+ ATOM 1039 OD1 ASP A 129 -0.025 11.518 9.894 1.00 0.00 O
1041
+ ATOM 1040 OD2 ASP A 129 -0.271 11.869 12.043 1.00 0.00 O
1042
+ ATOM 1041 N LEU A 130 -0.693 6.587 9.371 1.00 0.00 N
1043
+ ATOM 1042 CA LEU A 130 -0.725 5.128 9.399 1.00 0.00 C
1044
+ ATOM 1043 C LEU A 130 0.560 4.568 10.002 1.00 0.00 C
1045
+ ATOM 1044 CB LEU A 130 -0.925 4.569 7.988 1.00 0.00 C
1046
+ ATOM 1045 O LEU A 130 1.657 4.880 9.536 1.00 0.00 O
1047
+ ATOM 1046 CG LEU A 130 -1.070 3.051 7.875 1.00 0.00 C
1048
+ ATOM 1047 CD1 LEU A 130 -2.309 2.578 8.628 1.00 0.00 C
1049
+ ATOM 1048 CD2 LEU A 130 -1.134 2.626 6.412 1.00 0.00 C
1050
+ ATOM 1049 N THR A 131 0.390 3.780 11.009 1.00 0.00 N
1051
+ ATOM 1050 CA THR A 131 1.524 3.172 11.696 1.00 0.00 C
1052
+ ATOM 1051 C THR A 131 1.817 1.785 11.130 1.00 0.00 C
1053
+ ATOM 1052 CB THR A 131 1.271 3.068 13.211 1.00 0.00 C
1054
+ ATOM 1053 O THR A 131 2.967 1.467 10.818 1.00 0.00 O
1055
+ ATOM 1054 CG2 THR A 131 2.497 2.524 13.937 1.00 0.00 C
1056
+ ATOM 1055 OG1 THR A 131 0.962 4.369 13.728 1.00 0.00 O
1057
+ ATOM 1056 N SER A 132 0.862 0.970 11.020 1.00 0.00 N
1058
+ ATOM 1057 CA SER A 132 1.031 -0.370 10.466 1.00 0.00 C
1059
+ ATOM 1058 C SER A 132 -0.267 -0.881 9.852 1.00 0.00 C
1060
+ ATOM 1059 CB SER A 132 1.510 -1.340 11.547 1.00 0.00 C
1061
+ ATOM 1060 O SER A 132 -1.355 -0.447 10.235 1.00 0.00 O
1062
+ ATOM 1061 OG SER A 132 0.467 -1.629 12.461 1.00 0.00 O
1063
+ ATOM 1062 N ALA A 133 -0.145 -1.681 8.876 1.00 0.00 N
1064
+ ATOM 1063 CA ALA A 133 -1.206 -2.488 8.280 1.00 0.00 C
1065
+ ATOM 1064 C ALA A 133 -0.709 -3.895 7.957 1.00 0.00 C
1066
+ ATOM 1065 CB ALA A 133 -1.743 -1.816 7.020 1.00 0.00 C
1067
+ ATOM 1066 O ALA A 133 0.294 -4.060 7.258 1.00 0.00 O
1068
+ ATOM 1067 N SER A 134 -1.416 -4.888 8.502 1.00 0.00 N
1069
+ ATOM 1068 CA SER A 134 -0.995 -6.274 8.316 1.00 0.00 C
1070
+ ATOM 1069 C SER A 134 -2.186 -7.224 8.356 1.00 0.00 C
1071
+ ATOM 1070 CB SER A 134 0.022 -6.673 9.386 1.00 0.00 C
1072
+ ATOM 1071 O SER A 134 -3.295 -6.824 8.720 1.00 0.00 O
1073
+ ATOM 1072 OG SER A 134 -0.556 -6.607 10.679 1.00 0.00 O
1074
+ ATOM 1073 N TYR A 135 -1.958 -8.443 7.880 1.00 0.00 N
1075
+ ATOM 1074 CA TYR A 135 -2.962 -9.490 8.033 1.00 0.00 C
1076
+ ATOM 1075 C TYR A 135 -2.338 -10.767 8.581 1.00 0.00 C
1077
+ ATOM 1076 CB TYR A 135 -3.648 -9.777 6.694 1.00 0.00 C
1078
+ ATOM 1077 O TYR A 135 -1.142 -11.006 8.407 1.00 0.00 O
1079
+ ATOM 1078 CG TYR A 135 -2.720 -10.342 5.646 1.00 0.00 C
1080
+ ATOM 1079 CD1 TYR A 135 -2.060 -9.507 4.747 1.00 0.00 C
1081
+ ATOM 1080 CD2 TYR A 135 -2.503 -11.713 5.550 1.00 0.00 C
1082
+ ATOM 1081 CE1 TYR A 135 -1.207 -10.023 3.778 1.00 0.00 C
1083
+ ATOM 1082 CE2 TYR A 135 -1.652 -12.241 4.586 1.00 0.00 C
1084
+ ATOM 1083 OH TYR A 135 -0.165 -11.907 2.749 1.00 0.00 O
1085
+ ATOM 1084 CZ TYR A 135 -1.008 -11.389 3.706 1.00 0.00 C
1086
+ ATOM 1085 N THR A 136 -3.080 -11.528 9.266 1.00 0.00 N
1087
+ ATOM 1086 CA THR A 136 -2.720 -12.838 9.797 1.00 0.00 C
1088
+ ATOM 1087 C THR A 136 -3.901 -13.801 9.707 1.00 0.00 C
1089
+ ATOM 1088 CB THR A 136 -2.248 -12.738 11.259 1.00 0.00 C
1090
+ ATOM 1089 O THR A 136 -5.047 -13.373 9.545 1.00 0.00 O
1091
+ ATOM 1090 CG2 THR A 136 -3.403 -12.372 12.187 1.00 0.00 C
1092
+ ATOM 1091 OG1 THR A 136 -1.703 -13.999 11.666 1.00 0.00 O
1093
+ ATOM 1092 N MET A 137 -3.610 -15.113 9.726 1.00 0.00 N
1094
+ ATOM 1093 CA MET A 137 -4.646 -16.130 9.886 1.00 0.00 C
1095
+ ATOM 1094 C MET A 137 -4.904 -16.416 11.361 1.00 0.00 C
1096
+ ATOM 1095 CB MET A 137 -4.250 -17.420 9.165 1.00 0.00 C
1097
+ ATOM 1096 O MET A 137 -3.965 -16.499 12.156 1.00 0.00 O
1098
+ ATOM 1097 CG MET A 137 -4.024 -17.243 7.672 1.00 0.00 C
1099
+ ATOM 1098 SD MET A 137 -5.487 -16.534 6.820 1.00 0.00 S
1100
+ ATOM 1099 CE MET A 137 -6.719 -17.816 7.177 1.00 0.00 C
1101
+ ATOM 1100 N ILE A 138 -6.230 -16.553 11.698 1.00 0.00 N
1102
+ ATOM 1101 CA ILE A 138 -6.517 -16.869 13.093 1.00 0.00 C
1103
+ ATOM 1102 C ILE A 138 -7.363 -18.138 13.170 1.00 0.00 C
1104
+ ATOM 1103 CB ILE A 138 -7.240 -15.700 13.800 1.00 0.00 C
1105
+ ATOM 1104 O ILE A 138 -8.084 -18.470 12.226 1.00 0.00 O
1106
+ ATOM 1105 CG1 ILE A 138 -8.567 -15.390 13.098 1.00 0.00 C
1107
+ ATOM 1106 CG2 ILE A 138 -6.342 -14.461 13.846 1.00 0.00 C
1108
+ ATOM 1107 CD1 ILE A 138 -9.469 -14.438 13.872 1.00 0.00 C
1109
+ ATOM 1108 OXT ILE A 138 -6.870 -18.311 14.265 1.00 0.00 O
1110
+ TER 1109 ILE A 138
1111
+ END
6qgf/6qgf_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N PRO A 1 6.437 5.427 9.849 1.00 0.00 N
3
+ ATOM 2 CA PRO A 1 5.048 5.514 9.392 1.00 0.00 C
4
+ ATOM 3 C PRO A 1 4.890 5.152 7.916 1.00 0.00 C
5
+ ATOM 4 CB PRO A 1 4.687 6.981 9.635 1.00 0.00 C
6
+ ATOM 5 O PRO A 1 5.766 5.458 7.104 1.00 0.00 O
7
+ ATOM 6 CG PRO A 1 5.885 7.562 10.316 1.00 0.00 C
8
+ ATOM 7 CD PRO A 1 6.995 6.551 10.271 1.00 0.00 C
9
+ ATOM 8 N LEU A 2 3.837 4.453 7.497 1.00 0.00 N
10
+ ATOM 9 CA LEU A 2 3.498 4.104 6.121 1.00 0.00 C
11
+ ATOM 10 C LEU A 2 2.853 5.286 5.404 1.00 0.00 C
12
+ ATOM 11 CB LEU A 2 2.556 2.898 6.091 1.00 0.00 C
13
+ ATOM 12 O LEU A 2 2.140 6.079 6.022 1.00 0.00 O
14
+ ATOM 13 CG LEU A 2 3.092 1.603 6.701 1.00 0.00 C
15
+ ATOM 14 CD1 LEU A 2 1.986 0.555 6.780 1.00 0.00 C
16
+ ATOM 15 CD2 LEU A 2 4.275 1.080 5.894 1.00 0.00 C
17
+ ATOM 16 N ILE A 3 3.127 5.422 4.234 1.00 0.00 N
18
+ ATOM 17 CA ILE A 3 2.615 6.536 3.443 1.00 0.00 C
19
+ ATOM 18 C ILE A 3 1.167 6.263 3.045 1.00 0.00 C
20
+ ATOM 19 CB ILE A 3 3.480 6.780 2.185 1.00 0.00 C
21
+ ATOM 20 O ILE A 3 0.861 5.215 2.470 1.00 0.00 O
22
+ ATOM 21 CG1 ILE A 3 4.907 7.169 2.587 1.00 0.00 C
23
+ ATOM 22 CG2 ILE A 3 2.849 7.856 1.297 1.00 0.00 C
24
+ ATOM 23 CD1 ILE A 3 5.875 7.263 1.415 1.00 0.00 C
25
+ ATOM 24 N VAL A 4 0.284 7.195 3.219 1.00 0.00 N
26
+ ATOM 25 CA VAL A 4 -1.131 7.111 2.874 1.00 0.00 C
27
+ ATOM 26 C VAL A 4 -1.414 7.965 1.641 1.00 0.00 C
28
+ ATOM 27 CB VAL A 4 -2.030 7.558 4.049 1.00 0.00 C
29
+ ATOM 28 O VAL A 4 -0.945 9.102 1.544 1.00 0.00 O
30
+ ATOM 29 CG1 VAL A 4 -3.500 7.559 3.635 1.00 0.00 C
31
+ ATOM 30 CG2 VAL A 4 -1.813 6.652 5.260 1.00 0.00 C
32
+ ATOM 31 N PRO A 5 -2.062 7.492 0.732 1.00 0.00 N
33
+ ATOM 32 CA PRO A 5 -2.813 6.235 0.695 1.00 0.00 C
34
+ ATOM 33 C PRO A 5 -1.907 5.008 0.632 1.00 0.00 C
35
+ ATOM 34 CB PRO A 5 -3.650 6.363 -0.580 1.00 0.00 C
36
+ ATOM 35 O PRO A 5 -0.808 5.075 0.077 1.00 0.00 O
37
+ ATOM 36 CG PRO A 5 -2.832 7.222 -1.489 1.00 0.00 C
38
+ ATOM 37 CD PRO A 5 -2.084 8.222 -0.656 1.00 0.00 C
39
+ ATOM 38 N TYR A 6 -2.296 4.023 1.230 1.00 0.00 N
40
+ ATOM 39 CA TYR A 6 -1.560 2.767 1.330 1.00 0.00 C
41
+ ATOM 40 C TYR A 6 -2.385 1.607 0.785 1.00 0.00 C
42
+ ATOM 41 CB TYR A 6 -1.165 2.490 2.782 1.00 0.00 C
43
+ ATOM 42 O TYR A 6 -3.598 1.545 0.999 1.00 0.00 O
44
+ ATOM 43 CG TYR A 6 -0.304 1.262 2.953 1.00 0.00 C
45
+ ATOM 44 CD1 TYR A 6 1.053 1.290 2.639 1.00 0.00 C
46
+ ATOM 45 CD2 TYR A 6 -0.844 0.072 3.429 1.00 0.00 C
47
+ ATOM 46 CE1 TYR A 6 1.851 0.161 2.792 1.00 0.00 C
48
+ ATOM 47 CE2 TYR A 6 -0.056 -1.063 3.587 1.00 0.00 C
49
+ ATOM 48 OH TYR A 6 2.073 -2.130 3.421 1.00 0.00 O
50
+ ATOM 49 CZ TYR A 6 1.288 -1.009 3.267 1.00 0.00 C
51
+ ATOM 50 N ASN A 7 -1.784 0.754 0.127 1.00 0.00 N
52
+ ATOM 51 CA ASN A 7 -2.398 -0.480 -0.352 1.00 0.00 C
53
+ ATOM 52 C ASN A 7 -1.766 -1.709 0.296 1.00 0.00 C
54
+ ATOM 53 CB ASN A 7 -2.299 -0.572 -1.876 1.00 0.00 C
55
+ ATOM 54 O ASN A 7 -0.576 -1.969 0.113 1.00 0.00 O
56
+ ATOM 55 CG ASN A 7 -3.185 0.435 -2.581 1.00 0.00 C
57
+ ATOM 56 ND2 ASN A 7 -2.665 1.042 -3.641 1.00 0.00 N
58
+ ATOM 57 OD1 ASN A 7 -4.327 0.667 -2.175 1.00 0.00 O
59
+ ATOM 58 N LEU A 8 -2.525 -2.384 1.069 1.00 0.00 N
60
+ ATOM 59 CA LEU A 8 -2.092 -3.663 1.623 1.00 0.00 C
61
+ ATOM 60 C LEU A 8 -2.428 -4.808 0.675 1.00 0.00 C
62
+ ATOM 61 CB LEU A 8 -2.747 -3.906 2.986 1.00 0.00 C
63
+ ATOM 62 O LEU A 8 -3.602 -5.113 0.454 1.00 0.00 O
64
+ ATOM 63 CG LEU A 8 -2.389 -5.216 3.687 1.00 0.00 C
65
+ ATOM 64 CD1 LEU A 8 -0.911 -5.230 4.062 1.00 0.00 C
66
+ ATOM 65 CD2 LEU A 8 -3.261 -5.420 4.920 1.00 0.00 C
67
+ ATOM 66 N PRO A 9 -1.362 -5.368 0.048 1.00 0.00 N
68
+ ATOM 67 CA PRO A 9 -1.666 -6.507 -0.821 1.00 0.00 C
69
+ ATOM 68 C PRO A 9 -2.225 -7.702 -0.052 1.00 0.00 C
70
+ ATOM 69 CB PRO A 9 -0.310 -6.846 -1.446 1.00 0.00 C
71
+ ATOM 70 O PRO A 9 -1.784 -7.983 1.066 1.00 0.00 O
72
+ ATOM 71 CG PRO A 9 0.539 -5.644 -1.188 1.00 0.00 C
73
+ ATOM 72 CD PRO A 9 0.021 -4.946 0.037 1.00 0.00 C
74
+ ATOM 73 N LEU A 10 -3.203 -8.331 -0.528 1.00 0.00 N
75
+ ATOM 74 CA LEU A 10 -3.820 -9.558 -0.038 1.00 0.00 C
76
+ ATOM 75 C LEU A 10 -3.735 -10.665 -1.084 1.00 0.00 C
77
+ ATOM 76 CB LEU A 10 -5.283 -9.309 0.340 1.00 0.00 C
78
+ ATOM 77 O LEU A 10 -4.736 -11.007 -1.716 1.00 0.00 O
79
+ ATOM 78 CG LEU A 10 -5.537 -8.233 1.396 1.00 0.00 C
80
+ ATOM 79 CD1 LEU A 10 -7.008 -7.834 1.402 1.00 0.00 C
81
+ ATOM 80 CD2 LEU A 10 -5.106 -8.724 2.774 1.00 0.00 C
82
+ ATOM 81 N PRO A 11 -2.404 -11.215 -1.195 1.00 0.00 N
83
+ ATOM 82 CA PRO A 11 -2.211 -12.233 -2.230 1.00 0.00 C
84
+ ATOM 83 C PRO A 11 -3.079 -13.470 -2.009 1.00 0.00 C
85
+ ATOM 84 CB PRO A 11 -0.726 -12.579 -2.112 1.00 0.00 C
86
+ ATOM 85 O PRO A 11 -3.149 -13.988 -0.892 1.00 0.00 O
87
+ ATOM 86 CG PRO A 11 -0.363 -12.231 -0.705 1.00 0.00 C
88
+ ATOM 87 CD PRO A 11 -1.258 -11.119 -0.242 1.00 0.00 C
89
+ ATOM 88 N GLY A 12 -3.947 -13.865 -3.013 1.00 0.00 N
90
+ ATOM 89 CA GLY A 12 -4.881 -14.976 -2.922 1.00 0.00 C
91
+ ATOM 90 C GLY A 12 -6.260 -14.559 -2.447 1.00 0.00 C
92
+ ATOM 91 O GLY A 12 -7.146 -15.400 -2.283 1.00 0.00 O
93
+ ATOM 92 N GLY A 13 -6.393 -13.257 -2.140 1.00 0.00 N
94
+ ATOM 93 CA GLY A 13 -7.693 -12.774 -1.700 1.00 0.00 C
95
+ ATOM 94 C GLY A 13 -7.921 -12.947 -0.211 1.00 0.00 C
96
+ ATOM 95 O GLY A 13 -7.034 -13.410 0.510 1.00 0.00 O
97
+ ATOM 96 N VAL A 14 -9.036 -12.468 0.229 1.00 0.00 N
98
+ ATOM 97 CA VAL A 14 -9.347 -12.683 1.638 1.00 0.00 C
99
+ ATOM 98 C VAL A 14 -10.013 -14.044 1.818 1.00 0.00 C
100
+ ATOM 99 CB VAL A 14 -10.260 -11.566 2.193 1.00 0.00 C
101
+ ATOM 100 O VAL A 14 -10.656 -14.555 0.898 1.00 0.00 O
102
+ ATOM 101 CG1 VAL A 14 -9.575 -10.204 2.082 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 14 -11.599 -11.557 1.459 1.00 0.00 C
104
+ ATOM 103 N VAL A 15 -9.834 -14.624 2.982 1.00 0.00 N
105
+ ATOM 104 CA VAL A 15 -10.413 -15.920 3.318 1.00 0.00 C
106
+ ATOM 105 C VAL A 15 -10.939 -15.895 4.752 1.00 0.00 C
107
+ ATOM 106 CB VAL A 15 -9.386 -17.062 3.147 1.00 0.00 C
108
+ ATOM 107 O VAL A 15 -10.477 -15.101 5.575 1.00 0.00 O
109
+ ATOM 108 CG1 VAL A 15 -8.964 -17.194 1.685 1.00 0.00 C
110
+ ATOM 109 CG2 VAL A 15 -8.169 -16.823 4.039 1.00 0.00 C
111
+ ATOM 110 N PRO A 16 -11.956 -16.753 5.002 1.00 0.00 N
112
+ ATOM 111 CA PRO A 16 -12.433 -16.830 6.385 1.00 0.00 C
113
+ ATOM 112 C PRO A 16 -11.309 -17.096 7.383 1.00 0.00 C
114
+ ATOM 113 CB PRO A 16 -13.421 -18.000 6.352 1.00 0.00 C
115
+ ATOM 114 O PRO A 16 -10.387 -17.862 7.091 1.00 0.00 O
116
+ ATOM 115 CG PRO A 16 -13.962 -18.004 4.959 1.00 0.00 C
117
+ ATOM 116 CD PRO A 16 -12.851 -17.641 4.015 1.00 0.00 C
118
+ ATOM 117 N ARG A 17 -11.394 -16.353 8.522 1.00 0.00 N
119
+ ATOM 118 CA ARG A 17 -10.499 -16.440 9.672 1.00 0.00 C
120
+ ATOM 119 C ARG A 17 -9.272 -15.555 9.477 1.00 0.00 C
121
+ ATOM 120 CB ARG A 17 -10.068 -17.889 9.909 1.00 0.00 C
122
+ ATOM 121 O ARG A 17 -8.358 -15.561 10.306 1.00 0.00 O
123
+ ATOM 122 CG ARG A 17 -11.217 -18.824 10.248 1.00 0.00 C
124
+ ATOM 123 CD ARG A 17 -10.729 -20.238 10.531 1.00 0.00 C
125
+ ATOM 124 NE ARG A 17 -9.858 -20.283 11.704 1.00 0.00 N
126
+ ATOM 125 NH1 ARG A 17 -8.814 -22.256 11.109 1.00 0.00 N
127
+ ATOM 126 NH2 ARG A 17 -8.229 -21.183 13.049 1.00 0.00 N
128
+ ATOM 127 CZ ARG A 17 -8.969 -21.240 11.951 1.00 0.00 C
129
+ ATOM 128 N MET A 18 -9.278 -14.883 8.372 1.00 0.00 N
130
+ ATOM 129 CA MET A 18 -8.268 -13.844 8.193 1.00 0.00 C
131
+ ATOM 130 C MET A 18 -8.582 -12.626 9.056 1.00 0.00 C
132
+ ATOM 131 CB MET A 18 -8.173 -13.432 6.723 1.00 0.00 C
133
+ ATOM 132 O MET A 18 -9.684 -12.078 8.987 1.00 0.00 O
134
+ ATOM 133 CG MET A 18 -7.107 -12.385 6.447 1.00 0.00 C
135
+ ATOM 134 SD MET A 18 -7.039 -11.900 4.678 1.00 0.00 S
136
+ ATOM 135 CE MET A 18 -6.038 -13.259 4.011 1.00 0.00 C
137
+ ATOM 136 N LEU A 19 -7.626 -12.244 9.930 1.00 0.00 N
138
+ ATOM 137 CA LEU A 19 -7.745 -11.038 10.743 1.00 0.00 C
139
+ ATOM 138 C LEU A 19 -6.807 -9.947 10.238 1.00 0.00 C
140
+ ATOM 139 CB LEU A 19 -7.440 -11.350 12.211 1.00 0.00 C
141
+ ATOM 140 O LEU A 19 -5.585 -10.108 10.272 1.00 0.00 O
142
+ ATOM 141 CG LEU A 19 -7.529 -10.176 13.186 1.00 0.00 C
143
+ ATOM 142 CD1 LEU A 19 -8.970 -9.691 13.302 1.00 0.00 C
144
+ ATOM 143 CD2 LEU A 19 -6.981 -10.573 14.553 1.00 0.00 C
145
+ ATOM 144 N ILE A 20 -7.364 -8.842 9.735 1.00 0.00 N
146
+ ATOM 145 CA ILE A 20 -6.621 -7.655 9.328 1.00 0.00 C
147
+ ATOM 146 C ILE A 20 -6.561 -6.662 10.486 1.00 0.00 C
148
+ ATOM 147 CB ILE A 20 -7.252 -6.990 8.085 1.00 0.00 C
149
+ ATOM 148 O ILE A 20 -7.572 -6.408 11.147 1.00 0.00 O
150
+ ATOM 149 CG1 ILE A 20 -7.269 -7.970 6.906 1.00 0.00 C
151
+ ATOM 150 CG2 ILE A 20 -6.504 -5.706 7.719 1.00 0.00 C
152
+ ATOM 151 CD1 ILE A 20 -8.563 -8.763 6.777 1.00 0.00 C
153
+ ATOM 152 N THR A 21 -5.386 -6.107 10.764 1.00 0.00 N
154
+ ATOM 153 CA THR A 21 -5.178 -5.133 11.830 1.00 0.00 C
155
+ ATOM 154 C THR A 21 -4.508 -3.873 11.287 1.00 0.00 C
156
+ ATOM 155 CB THR A 21 -4.325 -5.721 12.968 1.00 0.00 C
157
+ ATOM 156 O THR A 21 -3.479 -3.953 10.613 1.00 0.00 O
158
+ ATOM 157 CG2 THR A 21 -4.169 -4.723 14.110 1.00 0.00 C
159
+ ATOM 158 OG1 THR A 21 -4.957 -6.906 13.466 1.00 0.00 O
160
+ ATOM 159 N ILE A 22 -5.091 -2.753 11.551 1.00 0.00 N
161
+ ATOM 160 CA ILE A 22 -4.616 -1.440 11.128 1.00 0.00 C
162
+ ATOM 161 C ILE A 22 -4.401 -0.550 12.350 1.00 0.00 C
163
+ ATOM 162 CB ILE A 22 -5.604 -0.772 10.145 1.00 0.00 C
164
+ ATOM 163 O ILE A 22 -5.329 -0.322 13.129 1.00 0.00 O
165
+ ATOM 164 CG1 ILE A 22 -5.847 -1.678 8.932 1.00 0.00 C
166
+ ATOM 165 CG2 ILE A 22 -5.085 0.601 9.707 1.00 0.00 C
167
+ ATOM 166 CD1 ILE A 22 -7.109 -1.341 8.151 1.00 0.00 C
168
+ ATOM 167 N LEU A 23 -3.209 -0.063 12.524 1.00 0.00 N
169
+ ATOM 168 CA LEU A 23 -2.854 0.864 13.593 1.00 0.00 C
170
+ ATOM 169 C LEU A 23 -2.481 2.230 13.027 1.00 0.00 C
171
+ ATOM 170 CB LEU A 23 -1.692 0.307 14.421 1.00 0.00 C
172
+ ATOM 171 O LEU A 23 -1.710 2.319 12.068 1.00 0.00 O
173
+ ATOM 172 CG LEU A 23 -1.921 -1.054 15.080 1.00 0.00 C
174
+ ATOM 173 CD1 LEU A 23 -0.644 -1.533 15.763 1.00 0.00 C
175
+ ATOM 174 CD2 LEU A 23 -3.071 -0.980 16.078 1.00 0.00 C
176
+ ATOM 175 N GLY A 24 -2.997 3.269 13.609 1.00 0.00 N
177
+ ATOM 176 CA GLY A 24 -2.684 4.626 13.192 1.00 0.00 C
178
+ ATOM 177 C GLY A 24 -3.167 5.679 14.171 1.00 0.00 C
179
+ ATOM 178 O GLY A 24 -3.547 5.356 15.299 1.00 0.00 O
180
+ ATOM 179 N THR A 25 -3.052 6.905 13.772 1.00 0.00 N
181
+ ATOM 180 CA THR A 25 -3.528 8.080 14.492 1.00 0.00 C
182
+ ATOM 181 C THR A 25 -4.355 8.978 13.576 1.00 0.00 C
183
+ ATOM 182 CB THR A 25 -2.356 8.885 15.083 1.00 0.00 C
184
+ ATOM 183 O THR A 25 -3.977 9.218 12.428 1.00 0.00 O
185
+ ATOM 184 CG2 THR A 25 -2.861 10.052 15.926 1.00 0.00 C
186
+ ATOM 185 OG1 THR A 25 -1.560 8.025 15.907 1.00 0.00 O
187
+ ATOM 186 N VAL A 26 -5.476 9.385 14.076 1.00 0.00 N
188
+ ATOM 187 CA VAL A 26 -6.287 10.329 13.315 1.00 0.00 C
189
+ ATOM 188 C VAL A 26 -5.619 11.703 13.319 1.00 0.00 C
190
+ ATOM 189 CB VAL A 26 -7.720 10.432 13.882 1.00 0.00 C
191
+ ATOM 190 O VAL A 26 -5.183 12.185 14.366 1.00 0.00 O
192
+ ATOM 191 CG1 VAL A 26 -8.566 11.386 13.042 1.00 0.00 C
193
+ ATOM 192 CG2 VAL A 26 -8.369 9.050 13.943 1.00 0.00 C
194
+ ATOM 193 N LYS A 27 -5.506 12.324 12.129 1.00 0.00 N
195
+ ATOM 194 CA LYS A 27 -4.948 13.670 12.045 1.00 0.00 C
196
+ ATOM 195 C LYS A 27 -5.875 14.691 12.699 1.00 0.00 C
197
+ ATOM 196 CB LYS A 27 -4.690 14.055 10.587 1.00 0.00 C
198
+ ATOM 197 O LYS A 27 -7.081 14.464 12.804 1.00 0.00 O
199
+ ATOM 198 CG LYS A 27 -3.567 13.267 9.929 1.00 0.00 C
200
+ ATOM 199 CD LYS A 27 -3.342 13.712 8.489 1.00 0.00 C
201
+ ATOM 200 CE LYS A 27 -2.170 12.978 7.852 1.00 0.00 C
202
+ ATOM 201 NZ LYS A 27 -2.013 13.330 6.409 1.00 0.00 N
203
+ ATOM 202 N PRO A 28 -5.196 15.843 13.041 1.00 0.00 N
204
+ ATOM 203 CA PRO A 28 -6.063 16.931 13.500 1.00 0.00 C
205
+ ATOM 204 C PRO A 28 -6.972 17.468 12.396 1.00 0.00 C
206
+ ATOM 205 CB PRO A 28 -5.071 18.002 13.959 1.00 0.00 C
207
+ ATOM 206 O PRO A 28 -6.584 17.483 11.225 1.00 0.00 O
208
+ ATOM 207 CG PRO A 28 -3.766 17.285 14.086 1.00 0.00 C
209
+ ATOM 208 CD PRO A 28 -3.768 16.120 13.138 1.00 0.00 C
210
+ ATOM 209 N ASN A 29 -8.195 17.665 12.585 1.00 0.00 N
211
+ ATOM 210 CA ASN A 29 -9.189 18.202 11.662 1.00 0.00 C
212
+ ATOM 211 C ASN A 29 -9.548 17.192 10.575 1.00 0.00 C
213
+ ATOM 212 CB ASN A 29 -8.690 19.505 11.033 1.00 0.00 C
214
+ ATOM 213 O ASN A 29 -9.688 17.556 9.406 1.00 0.00 O
215
+ ATOM 214 CG ASN A 29 -8.338 20.555 12.068 1.00 0.00 C
216
+ ATOM 215 ND2 ASN A 29 -7.195 21.206 11.887 1.00 0.00 N
217
+ ATOM 216 OD1 ASN A 29 -9.086 20.778 13.023 1.00 0.00 O
218
+ ATOM 217 N ALA A 30 -9.580 16.002 10.966 1.00 0.00 N
219
+ ATOM 218 CA ALA A 30 -9.896 14.916 10.042 1.00 0.00 C
220
+ ATOM 219 C ALA A 30 -11.303 15.074 9.471 1.00 0.00 C
221
+ ATOM 220 CB ALA A 30 -9.757 13.566 10.741 1.00 0.00 C
222
+ ATOM 221 O ALA A 30 -12.209 15.551 10.159 1.00 0.00 O
223
+ ATOM 222 N ASN A 31 -11.418 14.744 8.224 1.00 0.00 N
224
+ ATOM 223 CA ASN A 31 -12.701 14.717 7.530 1.00 0.00 C
225
+ ATOM 224 C ASN A 31 -13.189 13.288 7.310 1.00 0.00 C
226
+ ATOM 225 CB ASN A 31 -12.605 15.457 6.194 1.00 0.00 C
227
+ ATOM 226 O ASN A 31 -14.370 12.993 7.503 1.00 0.00 O
228
+ ATOM 227 CG ASN A 31 -13.958 15.671 5.546 1.00 0.00 C
229
+ ATOM 228 ND2 ASN A 31 -14.007 15.556 4.224 1.00 0.00 N
230
+ ATOM 229 OD1 ASN A 31 -14.952 15.938 6.228 1.00 0.00 O
231
+ ATOM 230 N ARG A 32 -12.309 12.429 6.977 1.00 0.00 N
232
+ ATOM 231 CA ARG A 32 -12.742 11.059 6.722 1.00 0.00 C
233
+ ATOM 232 C ARG A 32 -11.568 10.089 6.803 1.00 0.00 C
234
+ ATOM 233 CB ARG A 32 -13.416 10.954 5.352 1.00 0.00 C
235
+ ATOM 234 O ARG A 32 -10.414 10.489 6.641 1.00 0.00 O
236
+ ATOM 235 CG ARG A 32 -12.484 11.241 4.185 1.00 0.00 C
237
+ ATOM 236 CD ARG A 32 -13.218 11.187 2.852 1.00 0.00 C
238
+ ATOM 237 NE ARG A 32 -14.054 12.367 2.649 1.00 0.00 N
239
+ ATOM 238 NH1 ARG A 32 -14.967 11.632 0.659 1.00 0.00 N
240
+ ATOM 239 NH2 ARG A 32 -15.583 13.661 1.527 1.00 0.00 N
241
+ ATOM 240 CZ ARG A 32 -14.867 12.551 1.612 1.00 0.00 C
242
+ ATOM 241 N ILE A 33 -11.828 8.845 7.068 1.00 0.00 N
243
+ ATOM 242 CA ILE A 33 -11.009 7.649 6.909 1.00 0.00 C
244
+ ATOM 243 C ILE A 33 -11.689 6.683 5.941 1.00 0.00 C
245
+ ATOM 244 CB ILE A 33 -10.751 6.956 8.266 1.00 0.00 C
246
+ ATOM 245 O ILE A 33 -12.918 6.577 5.922 1.00 0.00 O
247
+ ATOM 246 CG1 ILE A 33 -10.168 7.954 9.274 1.00 0.00 C
248
+ ATOM 247 CG2 ILE A 33 -9.824 5.751 8.089 1.00 0.00 C
249
+ ATOM 248 CD1 ILE A 33 -10.164 7.451 10.710 1.00 0.00 C
250
+ ATOM 249 N ALA A 34 -10.907 5.970 5.126 1.00 0.00 N
251
+ ATOM 250 CA ALA A 34 -11.518 5.016 4.204 1.00 0.00 C
252
+ ATOM 251 C ALA A 34 -10.687 3.739 4.106 1.00 0.00 C
253
+ ATOM 252 CB ALA A 34 -11.687 5.644 2.822 1.00 0.00 C
254
+ ATOM 253 O ALA A 34 -9.474 3.796 3.889 1.00 0.00 O
255
+ ATOM 254 N LEU A 35 -11.296 2.650 4.301 1.00 0.00 N
256
+ ATOM 255 CA LEU A 35 -10.799 1.313 3.994 1.00 0.00 C
257
+ ATOM 256 C LEU A 35 -11.619 0.670 2.881 1.00 0.00 C
258
+ ATOM 257 CB LEU A 35 -10.831 0.429 5.245 1.00 0.00 C
259
+ ATOM 258 O LEU A 35 -12.845 0.578 2.981 1.00 0.00 O
260
+ ATOM 259 CG LEU A 35 -10.132 0.985 6.486 1.00 0.00 C
261
+ ATOM 260 CD1 LEU A 35 -10.198 -0.024 7.628 1.00 0.00 C
262
+ ATOM 261 CD2 LEU A 35 -8.684 1.346 6.168 1.00 0.00 C
263
+ ATOM 262 N ASP A 36 -10.892 0.234 1.841 1.00 0.00 N
264
+ ATOM 263 CA ASP A 36 -11.550 -0.374 0.688 1.00 0.00 C
265
+ ATOM 264 C ASP A 36 -10.984 -1.763 0.403 1.00 0.00 C
266
+ ATOM 265 CB ASP A 36 -11.403 0.519 -0.546 1.00 0.00 C
267
+ ATOM 266 O ASP A 36 -9.830 -1.896 -0.010 1.00 0.00 O
268
+ ATOM 267 CG ASP A 36 -12.252 1.775 -0.473 1.00 0.00 C
269
+ ATOM 268 OD1 ASP A 36 -13.267 1.785 0.256 1.00 0.00 O
270
+ ATOM 269 OD2 ASP A 36 -11.905 2.764 -1.155 1.00 0.00 O
271
+ ATOM 270 N PHE A 37 -11.795 -2.773 0.689 1.00 0.00 N
272
+ ATOM 271 CA PHE A 37 -11.478 -4.115 0.215 1.00 0.00 C
273
+ ATOM 272 C PHE A 37 -11.820 -4.262 -1.263 1.00 0.00 C
274
+ ATOM 273 CB PHE A 37 -12.230 -5.167 1.036 1.00 0.00 C
275
+ ATOM 274 O PHE A 37 -12.993 -4.227 -1.640 1.00 0.00 O
276
+ ATOM 275 CG PHE A 37 -11.724 -5.312 2.446 1.00 0.00 C
277
+ ATOM 276 CD1 PHE A 37 -10.881 -6.360 2.793 1.00 0.00 C
278
+ ATOM 277 CD2 PHE A 37 -12.094 -4.399 3.426 1.00 0.00 C
279
+ ATOM 278 CE1 PHE A 37 -10.411 -6.496 4.097 1.00 0.00 C
280
+ ATOM 279 CE2 PHE A 37 -11.630 -4.529 4.731 1.00 0.00 C
281
+ ATOM 280 CZ PHE A 37 -10.790 -5.578 5.065 1.00 0.00 C
282
+ ATOM 281 N GLN A 38 -10.823 -4.476 -2.066 1.00 0.00 N
283
+ ATOM 282 CA GLN A 38 -11.014 -4.243 -3.494 1.00 0.00 C
284
+ ATOM 283 C GLN A 38 -10.837 -5.532 -4.290 1.00 0.00 C
285
+ ATOM 284 CB GLN A 38 -10.039 -3.177 -3.999 1.00 0.00 C
286
+ ATOM 285 O GLN A 38 -9.932 -6.322 -4.011 1.00 0.00 O
287
+ ATOM 286 CG GLN A 38 -10.287 -1.792 -3.416 1.00 0.00 C
288
+ ATOM 287 CD GLN A 38 -9.319 -0.750 -3.945 1.00 0.00 C
289
+ ATOM 288 NE2 GLN A 38 -9.075 0.289 -3.154 1.00 0.00 N
290
+ ATOM 289 OE1 GLN A 38 -8.791 -0.880 -5.054 1.00 0.00 O
291
+ ATOM 290 N ARG A 39 -11.657 -5.694 -5.190 1.00 0.00 N
292
+ ATOM 291 CA ARG A 39 -11.605 -6.686 -6.259 1.00 0.00 C
293
+ ATOM 292 C ARG A 39 -11.526 -6.013 -7.626 1.00 0.00 C
294
+ ATOM 293 CB ARG A 39 -12.825 -7.606 -6.198 1.00 0.00 C
295
+ ATOM 294 O ARG A 39 -12.542 -5.570 -8.165 1.00 0.00 O
296
+ ATOM 295 CG ARG A 39 -12.812 -8.718 -7.235 1.00 0.00 C
297
+ ATOM 296 CD ARG A 39 -14.164 -9.409 -7.340 1.00 0.00 C
298
+ ATOM 297 NE ARG A 39 -15.135 -8.586 -8.054 1.00 0.00 N
299
+ ATOM 298 NH1 ARG A 39 -16.943 -9.947 -7.586 1.00 0.00 N
300
+ ATOM 299 NH2 ARG A 39 -17.228 -8.042 -8.828 1.00 0.00 N
301
+ ATOM 300 CZ ARG A 39 -16.433 -8.860 -8.154 1.00 0.00 C
302
+ ATOM 301 N GLY A 40 -10.341 -6.029 -8.242 1.00 0.00 N
303
+ ATOM 302 CA GLY A 40 -10.189 -5.184 -9.416 1.00 0.00 C
304
+ ATOM 303 C GLY A 40 -10.654 -3.759 -9.190 1.00 0.00 C
305
+ ATOM 304 O GLY A 40 -10.199 -3.091 -8.260 1.00 0.00 O
306
+ ATOM 305 N ASN A 41 -11.602 -3.316 -9.995 1.00 0.00 N
307
+ ATOM 306 CA ASN A 41 -12.117 -1.954 -9.921 1.00 0.00 C
308
+ ATOM 307 C ASN A 41 -13.291 -1.849 -8.953 1.00 0.00 C
309
+ ATOM 308 CB ASN A 41 -12.527 -1.460 -11.310 1.00 0.00 C
310
+ ATOM 309 O ASN A 41 -13.766 -0.749 -8.664 1.00 0.00 O
311
+ ATOM 310 CG ASN A 41 -11.338 -1.214 -12.218 1.00 0.00 C
312
+ ATOM 311 ND2 ASN A 41 -11.551 -1.343 -13.522 1.00 0.00 N
313
+ ATOM 312 OD1 ASN A 41 -10.236 -0.912 -11.751 1.00 0.00 O
314
+ ATOM 313 N ASP A 42 -13.740 -2.974 -8.495 1.00 0.00 N
315
+ ATOM 314 CA ASP A 42 -14.860 -2.998 -7.558 1.00 0.00 C
316
+ ATOM 315 C ASP A 42 -14.377 -2.817 -6.121 1.00 0.00 C
317
+ ATOM 316 CB ASP A 42 -15.641 -4.307 -7.690 1.00 0.00 C
318
+ ATOM 317 O ASP A 42 -13.209 -3.065 -5.817 1.00 0.00 O
319
+ ATOM 318 CG ASP A 42 -16.360 -4.438 -9.022 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 42 -16.623 -3.406 -9.676 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 42 -16.666 -5.582 -9.419 1.00 0.00 O
322
+ ATOM 321 N VAL A 43 -15.210 -2.375 -5.278 1.00 0.00 N
323
+ ATOM 322 CA VAL A 43 -15.005 -2.315 -3.834 1.00 0.00 C
324
+ ATOM 323 C VAL A 43 -15.987 -3.253 -3.134 1.00 0.00 C
325
+ ATOM 324 CB VAL A 43 -15.168 -0.876 -3.297 1.00 0.00 C
326
+ ATOM 325 O VAL A 43 -17.194 -3.001 -3.120 1.00 0.00 O
327
+ ATOM 326 CG1 VAL A 43 -14.960 -0.838 -1.784 1.00 0.00 C
328
+ ATOM 327 CG2 VAL A 43 -14.192 0.068 -3.998 1.00 0.00 C
329
+ ATOM 328 N ALA A 44 -15.446 -4.356 -2.560 1.00 0.00 N
330
+ ATOM 329 CA ALA A 44 -16.276 -5.363 -1.905 1.00 0.00 C
331
+ ATOM 330 C ALA A 44 -16.793 -4.859 -0.561 1.00 0.00 C
332
+ ATOM 331 CB ALA A 44 -15.491 -6.659 -1.718 1.00 0.00 C
333
+ ATOM 332 O ALA A 44 -17.903 -5.202 -0.147 1.00 0.00 O
334
+ ATOM 333 N PHE A 45 -16.026 -4.126 0.110 1.00 0.00 N
335
+ ATOM 334 CA PHE A 45 -16.381 -3.531 1.393 1.00 0.00 C
336
+ ATOM 335 C PHE A 45 -15.703 -2.176 1.567 1.00 0.00 C
337
+ ATOM 336 CB PHE A 45 -15.994 -4.463 2.545 1.00 0.00 C
338
+ ATOM 337 O PHE A 45 -14.474 -2.092 1.611 1.00 0.00 O
339
+ ATOM 338 CG PHE A 45 -16.254 -3.882 3.909 1.00 0.00 C
340
+ ATOM 339 CD1 PHE A 45 -17.294 -2.984 4.111 1.00 0.00 C
341
+ ATOM 340 CD2 PHE A 45 -15.458 -4.237 4.990 1.00 0.00 C
342
+ ATOM 341 CE1 PHE A 45 -17.537 -2.445 5.372 1.00 0.00 C
343
+ ATOM 342 CE2 PHE A 45 -15.694 -3.703 6.253 1.00 0.00 C
344
+ ATOM 343 CZ PHE A 45 -16.733 -2.806 6.442 1.00 0.00 C
345
+ ATOM 344 N HIS A 46 -16.583 -1.210 1.606 1.00 0.00 N
346
+ ATOM 345 CA HIS A 46 -16.177 0.155 1.920 1.00 0.00 C
347
+ ATOM 346 C HIS A 46 -16.518 0.513 3.362 1.00 0.00 C
348
+ ATOM 347 CB HIS A 46 -16.840 1.145 0.962 1.00 0.00 C
349
+ ATOM 348 O HIS A 46 -17.692 0.540 3.739 1.00 0.00 O
350
+ ATOM 349 CG HIS A 46 -16.509 2.575 1.251 1.00 0.00 C
351
+ ATOM 350 CD2 HIS A 46 -17.238 3.557 1.832 1.00 0.00 C
352
+ ATOM 351 ND1 HIS A 46 -15.293 3.137 0.929 1.00 0.00 N
353
+ ATOM 352 CE1 HIS A 46 -15.288 4.406 1.300 1.00 0.00 C
354
+ ATOM 353 NE2 HIS A 46 -16.457 4.686 1.851 1.00 0.00 N
355
+ ATOM 354 N PHE A 47 -15.529 0.772 4.172 1.00 0.00 N
356
+ ATOM 355 CA PHE A 47 -15.638 1.266 5.540 1.00 0.00 C
357
+ ATOM 356 C PHE A 47 -15.153 2.708 5.635 1.00 0.00 C
358
+ ATOM 357 CB PHE A 47 -14.840 0.378 6.499 1.00 0.00 C
359
+ ATOM 358 O PHE A 47 -13.959 2.977 5.487 1.00 0.00 O
360
+ ATOM 359 CG PHE A 47 -14.852 0.860 7.924 1.00 0.00 C
361
+ ATOM 360 CD1 PHE A 47 -15.929 0.583 8.757 1.00 0.00 C
362
+ ATOM 361 CD2 PHE A 47 -13.784 1.590 8.431 1.00 0.00 C
363
+ ATOM 362 CE1 PHE A 47 -15.943 1.027 10.077 1.00 0.00 C
364
+ ATOM 363 CE2 PHE A 47 -13.791 2.037 9.750 1.00 0.00 C
365
+ ATOM 364 CZ PHE A 47 -14.871 1.756 10.571 1.00 0.00 C
366
+ ATOM 365 N ASN A 48 -16.076 3.592 5.903 1.00 0.00 N
367
+ ATOM 366 CA ASN A 48 -15.783 5.007 5.704 1.00 0.00 C
368
+ ATOM 367 C ASN A 48 -16.260 5.849 6.885 1.00 0.00 C
369
+ ATOM 368 CB ASN A 48 -16.415 5.510 4.405 1.00 0.00 C
370
+ ATOM 369 O ASN A 48 -17.344 6.433 6.839 1.00 0.00 O
371
+ ATOM 370 CG ASN A 48 -16.015 6.934 4.073 1.00 0.00 C
372
+ ATOM 371 ND2 ASN A 48 -14.830 7.336 4.518 1.00 0.00 N
373
+ ATOM 372 OD1 ASN A 48 -16.765 7.666 3.422 1.00 0.00 O
374
+ ATOM 373 N PRO A 49 -15.425 5.995 7.995 1.00 0.00 N
375
+ ATOM 374 CA PRO A 49 -15.714 6.979 9.040 1.00 0.00 C
376
+ ATOM 375 C PRO A 49 -15.658 8.417 8.530 1.00 0.00 C
377
+ ATOM 376 CB PRO A 49 -14.617 6.725 10.078 1.00 0.00 C
378
+ ATOM 377 O PRO A 49 -14.642 8.838 7.971 1.00 0.00 O
379
+ ATOM 378 CG PRO A 49 -14.121 5.347 9.780 1.00 0.00 C
380
+ ATOM 379 CD PRO A 49 -14.177 5.131 8.294 1.00 0.00 C
381
+ ATOM 380 N ARG A 50 -16.718 9.070 8.676 1.00 0.00 N
382
+ ATOM 381 CA ARG A 50 -16.872 10.467 8.284 1.00 0.00 C
383
+ ATOM 382 C ARG A 50 -17.073 11.359 9.506 1.00 0.00 C
384
+ ATOM 383 CB ARG A 50 -18.047 10.630 7.318 1.00 0.00 C
385
+ ATOM 384 O ARG A 50 -18.045 11.198 10.245 1.00 0.00 O
386
+ ATOM 385 CG ARG A 50 -17.942 9.769 6.069 1.00 0.00 C
387
+ ATOM 386 CD ARG A 50 -19.157 9.931 5.168 1.00 0.00 C
388
+ ATOM 387 NE ARG A 50 -19.094 9.041 4.012 1.00 0.00 N
389
+ ATOM 388 NH1 ARG A 50 -21.229 9.515 3.270 1.00 0.00 N
390
+ ATOM 389 NH2 ARG A 50 -19.915 8.030 2.120 1.00 0.00 N
391
+ ATOM 390 CZ ARG A 50 -20.079 8.864 3.137 1.00 0.00 C
392
+ ATOM 391 N PHE A 51 -16.225 12.325 9.637 1.00 0.00 N
393
+ ATOM 392 CA PHE A 51 -16.183 13.130 10.852 1.00 0.00 C
394
+ ATOM 393 C PHE A 51 -17.151 14.304 10.757 1.00 0.00 C
395
+ ATOM 394 CB PHE A 51 -14.762 13.641 11.111 1.00 0.00 C
396
+ ATOM 395 O PHE A 51 -17.542 14.876 11.776 1.00 0.00 O
397
+ ATOM 396 CG PHE A 51 -13.793 12.562 11.513 1.00 0.00 C
398
+ ATOM 397 CD1 PHE A 51 -13.321 12.483 12.817 1.00 0.00 C
399
+ ATOM 398 CD2 PHE A 51 -13.353 11.628 10.585 1.00 0.00 C
400
+ ATOM 399 CE1 PHE A 51 -12.425 11.485 13.192 1.00 0.00 C
401
+ ATOM 400 CE2 PHE A 51 -12.456 10.627 10.952 1.00 0.00 C
402
+ ATOM 401 CZ PHE A 51 -11.993 10.559 12.256 1.00 0.00 C
403
+ ATOM 402 N ASN A 52 -17.527 14.654 9.562 1.00 0.00 N
404
+ ATOM 403 CA ASN A 52 -18.436 15.781 9.381 1.00 0.00 C
405
+ ATOM 404 C ASN A 52 -19.324 15.595 8.156 1.00 0.00 C
406
+ ATOM 405 CB ASN A 52 -17.651 17.091 9.274 1.00 0.00 C
407
+ ATOM 406 O ASN A 52 -19.024 16.115 7.080 1.00 0.00 O
408
+ ATOM 407 CG ASN A 52 -18.541 18.315 9.369 1.00 0.00 C
409
+ ATOM 408 ND2 ASN A 52 -17.974 19.483 9.094 1.00 0.00 N
410
+ ATOM 409 OD1 ASN A 52 -19.729 18.210 9.688 1.00 0.00 O
411
+ ATOM 410 N GLU A 53 -20.265 14.649 8.262 1.00 0.00 N
412
+ ATOM 411 CA GLU A 53 -21.309 14.553 7.247 1.00 0.00 C
413
+ ATOM 412 C GLU A 53 -22.580 15.268 7.694 1.00 0.00 C
414
+ ATOM 413 CB GLU A 53 -21.614 13.087 6.927 1.00 0.00 C
415
+ ATOM 414 O GLU A 53 -23.293 14.787 8.577 1.00 0.00 O
416
+ ATOM 415 CG GLU A 53 -22.657 12.900 5.833 1.00 0.00 C
417
+ ATOM 416 CD GLU A 53 -22.946 11.441 5.523 1.00 0.00 C
418
+ ATOM 417 OE1 GLU A 53 -22.386 10.907 4.539 1.00 0.00 O
419
+ ATOM 418 OE2 GLU A 53 -23.740 10.826 6.271 1.00 0.00 O
420
+ ATOM 419 N ASN A 54 -22.982 16.290 7.030 1.00 0.00 N
421
+ ATOM 420 CA ASN A 54 -24.138 17.080 7.442 1.00 0.00 C
422
+ ATOM 421 C ASN A 54 -24.126 17.353 8.943 1.00 0.00 C
423
+ ATOM 422 CB ASN A 54 -25.437 16.379 7.040 1.00 0.00 C
424
+ ATOM 423 O ASN A 54 -25.129 17.140 9.625 1.00 0.00 O
425
+ ATOM 424 CG ASN A 54 -25.563 16.196 5.541 1.00 0.00 C
426
+ ATOM 425 ND2 ASN A 54 -26.113 15.060 5.127 1.00 0.00 N
427
+ ATOM 426 OD1 ASN A 54 -25.169 17.067 4.761 1.00 0.00 O
428
+ ATOM 427 N ASN A 55 -23.042 17.660 9.524 1.00 0.00 N
429
+ ATOM 428 CA ASN A 55 -22.814 18.059 10.910 1.00 0.00 C
430
+ ATOM 429 C ASN A 55 -22.945 16.875 11.862 1.00 0.00 C
431
+ ATOM 430 CB ASN A 55 -23.781 19.174 11.313 1.00 0.00 C
432
+ ATOM 431 O ASN A 55 -23.303 17.048 13.028 1.00 0.00 O
433
+ ATOM 432 CG ASN A 55 -23.523 20.469 10.568 1.00 0.00 C
434
+ ATOM 433 ND2 ASN A 55 -24.572 21.255 10.362 1.00 0.00 N
435
+ ATOM 434 OD1 ASN A 55 -22.387 20.761 10.179 1.00 0.00 O
436
+ ATOM 435 N ARG A 56 -22.746 15.743 11.386 1.00 0.00 N
437
+ ATOM 436 CA ARG A 56 -22.771 14.555 12.235 1.00 0.00 C
438
+ ATOM 437 C ARG A 56 -21.635 13.603 11.878 1.00 0.00 C
439
+ ATOM 438 CB ARG A 56 -24.116 13.836 12.112 1.00 0.00 C
440
+ ATOM 439 O ARG A 56 -21.171 13.582 10.735 1.00 0.00 O
441
+ ATOM 440 CG ARG A 56 -24.397 13.287 10.722 1.00 0.00 C
442
+ ATOM 441 CD ARG A 56 -25.761 12.616 10.647 1.00 0.00 C
443
+ ATOM 442 NE ARG A 56 -26.016 12.062 9.320 1.00 0.00 N
444
+ ATOM 443 NH1 ARG A 56 -27.917 10.906 9.941 1.00 0.00 N
445
+ ATOM 444 NH2 ARG A 56 -27.172 10.816 7.776 1.00 0.00 N
446
+ ATOM 445 CZ ARG A 56 -27.034 11.262 9.015 1.00 0.00 C
447
+ ATOM 446 N ARG A 57 -21.183 12.901 12.843 1.00 0.00 N
448
+ ATOM 447 CA ARG A 57 -20.219 11.824 12.642 1.00 0.00 C
449
+ ATOM 448 C ARG A 57 -20.925 10.503 12.360 1.00 0.00 C
450
+ ATOM 449 CB ARG A 57 -19.310 11.682 13.865 1.00 0.00 C
451
+ ATOM 450 O ARG A 57 -21.869 10.134 13.062 1.00 0.00 O
452
+ ATOM 451 CG ARG A 57 -18.512 12.935 14.189 1.00 0.00 C
453
+ ATOM 452 CD ARG A 57 -17.551 12.709 15.348 1.00 0.00 C
454
+ ATOM 453 NE ARG A 57 -18.263 12.444 16.595 1.00 0.00 N
455
+ ATOM 454 NH1 ARG A 57 -16.355 12.208 17.876 1.00 0.00 N
456
+ ATOM 455 NH2 ARG A 57 -18.423 11.983 18.839 1.00 0.00 N
457
+ ATOM 456 CZ ARG A 57 -17.679 12.212 17.767 1.00 0.00 C
458
+ ATOM 457 N VAL A 58 -20.443 9.787 11.391 1.00 0.00 N
459
+ ATOM 458 CA VAL A 58 -21.086 8.543 10.983 1.00 0.00 C
460
+ ATOM 459 C VAL A 58 -20.074 7.647 10.274 1.00 0.00 C
461
+ ATOM 460 CB VAL A 58 -22.301 8.807 10.064 1.00 0.00 C
462
+ ATOM 461 O VAL A 58 -19.093 8.135 9.707 1.00 0.00 O
463
+ ATOM 462 CG1 VAL A 58 -21.861 9.487 8.769 1.00 0.00 C
464
+ ATOM 463 CG2 VAL A 58 -23.034 7.500 9.764 1.00 0.00 C
465
+ ATOM 464 N ILE A 59 -20.310 6.455 10.363 1.00 0.00 N
466
+ ATOM 465 CA ILE A 59 -19.549 5.513 9.549 1.00 0.00 C
467
+ ATOM 466 C ILE A 59 -20.439 4.953 8.442 1.00 0.00 C
468
+ ATOM 467 CB ILE A 59 -18.971 4.365 10.405 1.00 0.00 C
469
+ ATOM 468 O ILE A 59 -21.507 4.400 8.716 1.00 0.00 O
470
+ ATOM 469 CG1 ILE A 59 -18.028 4.921 11.478 1.00 0.00 C
471
+ ATOM 470 CG2 ILE A 59 -18.251 3.342 9.521 1.00 0.00 C
472
+ ATOM 471 CD1 ILE A 59 -17.630 3.906 12.540 1.00 0.00 C
473
+ ATOM 472 N VAL A 60 -19.966 5.097 7.167 1.00 0.00 N
474
+ ATOM 473 CA VAL A 60 -20.716 4.616 6.012 1.00 0.00 C
475
+ ATOM 474 C VAL A 60 -20.043 3.371 5.440 1.00 0.00 C
476
+ ATOM 475 CB VAL A 60 -20.839 5.704 4.922 1.00 0.00 C
477
+ ATOM 476 O VAL A 60 -18.844 3.384 5.150 1.00 0.00 O
478
+ ATOM 477 CG1 VAL A 60 -21.602 5.171 3.711 1.00 0.00 C
479
+ ATOM 478 CG2 VAL A 60 -21.524 6.948 5.484 1.00 0.00 C
480
+ ATOM 479 N CYS A 61 -20.840 2.329 5.247 1.00 0.00 N
481
+ ATOM 480 CA CYS A 61 -20.386 1.103 4.603 1.00 0.00 C
482
+ ATOM 481 C CYS A 61 -21.166 0.838 3.320 1.00 0.00 C
483
+ ATOM 482 CB CYS A 61 -20.529 -0.087 5.552 1.00 0.00 C
484
+ ATOM 483 O CYS A 61 -22.373 1.081 3.262 1.00 0.00 O
485
+ ATOM 484 SG CYS A 61 -19.598 0.093 7.089 1.00 0.00 S
486
+ ATOM 485 N ASN A 62 -20.483 0.405 2.366 1.00 0.00 N
487
+ ATOM 486 CA ASN A 62 -21.118 0.153 1.076 1.00 0.00 C
488
+ ATOM 487 C ASN A 62 -20.285 -0.796 0.218 1.00 0.00 C
489
+ ATOM 488 CB ASN A 62 -21.362 1.468 0.332 1.00 0.00 C
490
+ ATOM 489 O ASN A 62 -19.203 -1.220 0.626 1.00 0.00 O
491
+ ATOM 490 CG ASN A 62 -22.583 1.413 -0.564 1.00 0.00 C
492
+ ATOM 491 ND2 ASN A 62 -23.206 2.565 -0.787 1.00 0.00 N
493
+ ATOM 492 OD1 ASN A 62 -22.965 0.346 -1.051 1.00 0.00 O
494
+ ATOM 493 N THR A 63 -20.814 -1.160 -0.871 1.00 0.00 N
495
+ ATOM 494 CA THR A 63 -20.179 -1.920 -1.943 1.00 0.00 C
496
+ ATOM 495 C THR A 63 -20.306 -1.185 -3.274 1.00 0.00 C
497
+ ATOM 496 CB THR A 63 -20.794 -3.326 -2.068 1.00 0.00 C
498
+ ATOM 497 O THR A 63 -21.361 -0.628 -3.584 1.00 0.00 O
499
+ ATOM 498 CG2 THR A 63 -20.161 -4.102 -3.219 1.00 0.00 C
500
+ ATOM 499 OG1 THR A 63 -20.580 -4.046 -0.848 1.00 0.00 O
501
+ ATOM 500 N LYS A 64 -19.257 -1.210 -3.980 1.00 0.00 N
502
+ ATOM 501 CA LYS A 64 -19.254 -0.595 -5.305 1.00 0.00 C
503
+ ATOM 502 C LYS A 64 -18.983 -1.633 -6.391 1.00 0.00 C
504
+ ATOM 503 CB LYS A 64 -18.211 0.522 -5.375 1.00 0.00 C
505
+ ATOM 504 O LYS A 64 -17.893 -2.206 -6.450 1.00 0.00 O
506
+ ATOM 505 CG LYS A 64 -18.301 1.374 -6.633 1.00 0.00 C
507
+ ATOM 506 CD LYS A 64 -17.245 2.471 -6.642 1.00 0.00 C
508
+ ATOM 507 CE LYS A 64 -17.277 3.269 -7.938 1.00 0.00 C
509
+ ATOM 508 NZ LYS A 64 -16.086 4.160 -8.070 1.00 0.00 N
510
+ ATOM 509 N LEU A 65 -19.900 -1.768 -7.251 1.00 0.00 N
511
+ ATOM 510 CA LEU A 65 -19.782 -2.661 -8.399 1.00 0.00 C
512
+ ATOM 511 C LEU A 65 -19.997 -1.899 -9.703 1.00 0.00 C
513
+ ATOM 512 CB LEU A 65 -20.790 -3.808 -8.292 1.00 0.00 C
514
+ ATOM 513 O LEU A 65 -20.941 -1.116 -9.821 1.00 0.00 O
515
+ ATOM 514 CG LEU A 65 -20.660 -4.712 -7.066 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 65 -21.824 -5.696 -7.006 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 65 -19.327 -5.454 -7.087 1.00 0.00 C
518
+ ATOM 517 N ASP A 66 -19.113 -2.167 -10.636 1.00 0.00 N
519
+ ATOM 518 CA ASP A 66 -19.217 -1.536 -11.948 1.00 0.00 C
520
+ ATOM 519 C ASP A 66 -19.423 -0.028 -11.818 1.00 0.00 C
521
+ ATOM 520 CB ASP A 66 -20.360 -2.156 -12.753 1.00 0.00 C
522
+ ATOM 521 O ASP A 66 -20.333 0.534 -12.432 1.00 0.00 O
523
+ ATOM 522 CG ASP A 66 -20.122 -3.617 -13.093 1.00 0.00 C
524
+ ATOM 523 OD1 ASP A 66 -18.983 -3.981 -13.456 1.00 0.00 O
525
+ ATOM 524 OD2 ASP A 66 -21.083 -4.411 -13.000 1.00 0.00 O
526
+ ATOM 525 N ASN A 67 -18.771 0.643 -10.966 1.00 0.00 N
527
+ ATOM 526 CA ASN A 67 -18.707 2.082 -10.731 1.00 0.00 C
528
+ ATOM 527 C ASN A 67 -20.011 2.612 -10.143 1.00 0.00 C
529
+ ATOM 528 CB ASN A 67 -18.367 2.824 -12.025 1.00 0.00 C
530
+ ATOM 529 O ASN A 67 -20.303 3.805 -10.244 1.00 0.00 O
531
+ ATOM 530 CG ASN A 67 -16.924 2.632 -12.446 1.00 0.00 C
532
+ ATOM 531 ND2 ASN A 67 -16.673 2.695 -13.749 1.00 0.00 N
533
+ ATOM 532 OD1 ASN A 67 -16.041 2.429 -11.608 1.00 0.00 O
534
+ ATOM 533 N ASN A 68 -20.747 1.689 -9.617 1.00 0.00 N
535
+ ATOM 534 CA ASN A 68 -21.989 2.101 -8.971 1.00 0.00 C
536
+ ATOM 535 C ASN A 68 -22.038 1.655 -7.513 1.00 0.00 C
537
+ ATOM 536 CB ASN A 68 -23.198 1.554 -9.735 1.00 0.00 C
538
+ ATOM 537 O ASN A 68 -21.904 0.465 -7.218 1.00 0.00 O
539
+ ATOM 538 CG ASN A 68 -23.328 2.146 -11.123 1.00 0.00 C
540
+ ATOM 539 ND2 ASN A 68 -23.388 1.284 -12.132 1.00 0.00 N
541
+ ATOM 540 OD1 ASN A 68 -23.372 3.368 -11.290 1.00 0.00 O
542
+ ATOM 541 N TRP A 69 -22.225 2.547 -6.653 1.00 0.00 N
543
+ ATOM 542 CA TRP A 69 -22.425 2.248 -5.240 1.00 0.00 C
544
+ ATOM 543 C TRP A 69 -23.778 1.583 -5.009 1.00 0.00 C
545
+ ATOM 544 CB TRP A 69 -22.319 3.524 -4.399 1.00 0.00 C
546
+ ATOM 545 O TRP A 69 -24.752 1.886 -5.702 1.00 0.00 O
547
+ ATOM 546 CG TRP A 69 -20.927 4.072 -4.295 1.00 0.00 C
548
+ ATOM 547 CD1 TRP A 69 -20.451 5.223 -4.858 1.00 0.00 C
549
+ ATOM 548 CD2 TRP A 69 -19.830 3.485 -3.589 1.00 0.00 C
550
+ ATOM 549 CE2 TRP A 69 -18.717 4.337 -3.765 1.00 0.00 C
551
+ ATOM 550 CE3 TRP A 69 -19.679 2.322 -2.823 1.00 0.00 C
552
+ ATOM 551 NE1 TRP A 69 -19.122 5.389 -4.543 1.00 0.00 N
553
+ ATOM 552 CH2 TRP A 69 -17.349 2.917 -2.457 1.00 0.00 C
554
+ ATOM 553 CZ2 TRP A 69 -17.469 4.061 -3.202 1.00 0.00 C
555
+ ATOM 554 CZ3 TRP A 69 -18.437 2.050 -2.262 1.00 0.00 C
556
+ ATOM 555 N GLY A 70 -23.778 0.721 -4.132 1.00 0.00 N
557
+ ATOM 556 CA GLY A 70 -25.014 0.069 -3.726 1.00 0.00 C
558
+ ATOM 557 C GLY A 70 -25.702 0.763 -2.566 1.00 0.00 C
559
+ ATOM 558 O GLY A 70 -25.542 1.970 -2.375 1.00 0.00 O
560
+ ATOM 559 N ARG A 71 -26.503 -0.039 -1.837 1.00 0.00 N
561
+ ATOM 560 CA ARG A 71 -27.199 0.491 -0.669 1.00 0.00 C
562
+ ATOM 561 C ARG A 71 -26.231 0.721 0.486 1.00 0.00 C
563
+ ATOM 562 CB ARG A 71 -28.318 -0.458 -0.233 1.00 0.00 C
564
+ ATOM 563 O ARG A 71 -25.524 -0.198 0.905 1.00 0.00 O
565
+ ATOM 564 CG ARG A 71 -29.152 0.065 0.925 1.00 0.00 C
566
+ ATOM 565 CD ARG A 71 -30.244 -0.917 1.321 1.00 0.00 C
567
+ ATOM 566 NE ARG A 71 -30.916 -0.509 2.552 1.00 0.00 N
568
+ ATOM 567 NH1 ARG A 71 -32.147 -2.452 2.769 1.00 0.00 N
569
+ ATOM 568 NH2 ARG A 71 -32.356 -0.778 4.321 1.00 0.00 N
570
+ ATOM 569 CZ ARG A 71 -31.805 -1.247 3.211 1.00 0.00 C
571
+ ATOM 570 N GLU A 72 -26.284 1.882 1.069 1.00 0.00 N
572
+ ATOM 571 CA GLU A 72 -25.423 2.238 2.193 1.00 0.00 C
573
+ ATOM 572 C GLU A 72 -25.902 1.581 3.485 1.00 0.00 C
574
+ ATOM 573 CB GLU A 72 -25.364 3.757 2.366 1.00 0.00 C
575
+ ATOM 574 O GLU A 72 -27.107 1.437 3.704 1.00 0.00 O
576
+ ATOM 575 CG GLU A 72 -24.670 4.480 1.220 1.00 0.00 C
577
+ ATOM 576 CD GLU A 72 -24.521 5.974 1.455 1.00 0.00 C
578
+ ATOM 577 OE1 GLU A 72 -25.205 6.519 2.351 1.00 0.00 O
579
+ ATOM 578 OE2 GLU A 72 -23.713 6.605 0.737 1.00 0.00 O
580
+ ATOM 579 N GLU A 73 -25.039 1.166 4.264 1.00 0.00 N
581
+ ATOM 580 CA GLU A 73 -25.259 0.853 5.672 1.00 0.00 C
582
+ ATOM 581 C GLU A 73 -24.530 1.841 6.578 1.00 0.00 C
583
+ ATOM 582 CB GLU A 73 -24.808 -0.577 5.983 1.00 0.00 C
584
+ ATOM 583 O GLU A 73 -23.327 2.059 6.426 1.00 0.00 O
585
+ ATOM 584 CG GLU A 73 -25.579 -1.645 5.222 1.00 0.00 C
586
+ ATOM 585 CD GLU A 73 -25.174 -3.061 5.598 1.00 0.00 C
587
+ ATOM 586 OE1 GLU A 73 -24.641 -3.264 6.712 1.00 0.00 O
588
+ ATOM 587 OE2 GLU A 73 -25.390 -3.975 4.771 1.00 0.00 O
589
+ ATOM 588 N ARG A 74 -25.267 2.381 7.540 1.00 0.00 N
590
+ ATOM 589 CA ARG A 74 -24.706 3.457 8.351 1.00 0.00 C
591
+ ATOM 590 C ARG A 74 -24.651 3.062 9.824 1.00 0.00 C
592
+ ATOM 591 CB ARG A 74 -25.523 4.740 8.184 1.00 0.00 C
593
+ ATOM 592 O ARG A 74 -25.607 2.492 10.355 1.00 0.00 O
594
+ ATOM 593 CG ARG A 74 -25.500 5.304 6.772 1.00 0.00 C
595
+ ATOM 594 CD ARG A 74 -26.374 6.545 6.647 1.00 0.00 C
596
+ ATOM 595 NE ARG A 74 -26.279 7.138 5.316 1.00 0.00 N
597
+ ATOM 596 NH1 ARG A 74 -25.172 9.040 6.017 1.00 0.00 N
598
+ ATOM 597 NH2 ARG A 74 -25.681 8.755 3.800 1.00 0.00 N
599
+ ATOM 598 CZ ARG A 74 -25.710 8.310 5.047 1.00 0.00 C
600
+ ATOM 599 N GLN A 75 -23.580 3.368 10.484 1.00 0.00 N
601
+ ATOM 600 CA GLN A 75 -23.301 3.101 11.892 1.00 0.00 C
602
+ ATOM 601 C GLN A 75 -23.086 4.399 12.665 1.00 0.00 C
603
+ ATOM 602 CB GLN A 75 -22.076 2.196 12.034 1.00 0.00 C
604
+ ATOM 603 O GLN A 75 -22.213 5.197 12.318 1.00 0.00 O
605
+ ATOM 604 CG GLN A 75 -21.584 2.046 13.468 1.00 0.00 C
606
+ ATOM 605 CD GLN A 75 -22.606 1.382 14.371 1.00 0.00 C
607
+ ATOM 606 NE2 GLN A 75 -22.315 0.156 14.794 1.00 0.00 N
608
+ ATOM 607 OE1 GLN A 75 -23.646 1.966 14.689 1.00 0.00 O
609
+ ATOM 608 N SER A 76 -23.908 4.538 13.700 1.00 0.00 N
610
+ ATOM 609 CA SER A 76 -23.901 5.813 14.408 1.00 0.00 C
611
+ ATOM 610 C SER A 76 -22.828 5.838 15.491 1.00 0.00 C
612
+ ATOM 611 CB SER A 76 -25.271 6.089 15.029 1.00 0.00 C
613
+ ATOM 612 O SER A 76 -22.379 6.909 15.903 1.00 0.00 O
614
+ ATOM 613 OG SER A 76 -25.657 5.029 15.887 1.00 0.00 O
615
+ ATOM 614 N VAL A 77 -22.422 4.642 16.068 1.00 0.00 N
616
+ ATOM 615 CA VAL A 77 -21.309 4.609 17.011 1.00 0.00 C
617
+ ATOM 616 C VAL A 77 -20.013 4.987 16.296 1.00 0.00 C
618
+ ATOM 617 CB VAL A 77 -21.166 3.221 17.672 1.00 0.00 C
619
+ ATOM 618 O VAL A 77 -19.641 4.361 15.300 1.00 0.00 O
620
+ ATOM 619 CG1 VAL A 77 -19.968 3.193 18.619 1.00 0.00 C
621
+ ATOM 620 CG2 VAL A 77 -22.448 2.851 18.418 1.00 0.00 C
622
+ ATOM 621 N PHE A 78 -19.321 5.928 16.772 1.00 0.00 N
623
+ ATOM 622 CA PHE A 78 -18.176 6.522 16.090 1.00 0.00 C
624
+ ATOM 623 C PHE A 78 -16.961 6.565 17.008 1.00 0.00 C
625
+ ATOM 624 CB PHE A 78 -18.515 7.934 15.600 1.00 0.00 C
626
+ ATOM 625 O PHE A 78 -16.742 7.553 17.711 1.00 0.00 O
627
+ ATOM 626 CG PHE A 78 -17.577 8.450 14.542 1.00 0.00 C
628
+ ATOM 627 CD1 PHE A 78 -17.829 8.216 13.196 1.00 0.00 C
629
+ ATOM 628 CD2 PHE A 78 -16.444 9.170 14.895 1.00 0.00 C
630
+ ATOM 629 CE1 PHE A 78 -16.962 8.693 12.216 1.00 0.00 C
631
+ ATOM 630 CE2 PHE A 78 -15.573 9.651 13.920 1.00 0.00 C
632
+ ATOM 631 CZ PHE A 78 -15.834 9.410 12.581 1.00 0.00 C
633
+ ATOM 632 N PRO A 79 -16.122 5.607 17.015 1.00 0.00 N
634
+ ATOM 633 CA PRO A 79 -15.030 5.466 17.981 1.00 0.00 C
635
+ ATOM 634 C PRO A 79 -13.731 6.112 17.502 1.00 0.00 C
636
+ ATOM 635 CB PRO A 79 -14.869 3.950 18.112 1.00 0.00 C
637
+ ATOM 636 O PRO A 79 -12.642 5.640 17.839 1.00 0.00 O
638
+ ATOM 637 CG PRO A 79 -15.214 3.411 16.760 1.00 0.00 C
639
+ ATOM 638 CD PRO A 79 -16.318 4.247 16.180 1.00 0.00 C
640
+ ATOM 639 N PHE A 80 -13.746 7.104 16.659 1.00 0.00 N
641
+ ATOM 640 CA PHE A 80 -12.572 7.796 16.141 1.00 0.00 C
642
+ ATOM 641 C PHE A 80 -12.517 9.229 16.656 1.00 0.00 C
643
+ ATOM 642 CB PHE A 80 -12.574 7.789 14.609 1.00 0.00 C
644
+ ATOM 643 O PHE A 80 -13.520 9.944 16.625 1.00 0.00 O
645
+ ATOM 644 CG PHE A 80 -12.597 6.410 14.008 1.00 0.00 C
646
+ ATOM 645 CD1 PHE A 80 -11.419 5.695 13.828 1.00 0.00 C
647
+ ATOM 646 CD2 PHE A 80 -13.797 5.828 13.623 1.00 0.00 C
648
+ ATOM 647 CE1 PHE A 80 -11.437 4.418 13.272 1.00 0.00 C
649
+ ATOM 648 CE2 PHE A 80 -13.823 4.552 13.067 1.00 0.00 C
650
+ ATOM 649 CZ PHE A 80 -12.643 3.849 12.891 1.00 0.00 C
651
+ ATOM 650 N GLU A 81 -11.366 9.665 17.131 1.00 0.00 N
652
+ ATOM 651 CA GLU A 81 -11.148 11.019 17.631 1.00 0.00 C
653
+ ATOM 652 C GLU A 81 -9.921 11.655 16.984 1.00 0.00 C
654
+ ATOM 653 CB GLU A 81 -10.995 11.011 19.154 1.00 0.00 C
655
+ ATOM 654 O GLU A 81 -8.848 11.049 16.945 1.00 0.00 O
656
+ ATOM 655 CG GLU A 81 -12.265 10.621 19.897 1.00 0.00 C
657
+ ATOM 656 CD GLU A 81 -12.093 10.596 21.407 1.00 0.00 C
658
+ ATOM 657 OE1 GLU A 81 -11.269 11.377 21.936 1.00 0.00 O
659
+ ATOM 658 OE2 GLU A 81 -12.786 9.791 22.067 1.00 0.00 O
660
+ ATOM 659 N SER A 82 -10.126 12.836 16.590 1.00 0.00 N
661
+ ATOM 660 CA SER A 82 -9.031 13.575 15.969 1.00 0.00 C
662
+ ATOM 661 C SER A 82 -7.823 13.657 16.896 1.00 0.00 C
663
+ ATOM 662 CB SER A 82 -9.486 14.984 15.584 1.00 0.00 C
664
+ ATOM 663 O SER A 82 -7.968 13.928 18.090 1.00 0.00 O
665
+ ATOM 664 OG SER A 82 -10.436 14.936 14.534 1.00 0.00 O
666
+ ATOM 665 N GLY A 83 -6.697 13.400 16.387 1.00 0.00 N
667
+ ATOM 666 CA GLY A 83 -5.448 13.491 17.126 1.00 0.00 C
668
+ ATOM 667 C GLY A 83 -5.166 12.269 17.978 1.00 0.00 C
669
+ ATOM 668 O GLY A 83 -4.148 12.208 18.669 1.00 0.00 O
670
+ ATOM 669 N LYS A 84 -6.033 11.272 17.991 1.00 0.00 N
671
+ ATOM 670 CA LYS A 84 -5.895 10.113 18.867 1.00 0.00 C
672
+ ATOM 671 C LYS A 84 -5.586 8.851 18.066 1.00 0.00 C
673
+ ATOM 672 CB LYS A 84 -7.164 9.910 19.696 1.00 0.00 C
674
+ ATOM 673 O LYS A 84 -5.980 8.736 16.904 1.00 0.00 O
675
+ ATOM 674 CG LYS A 84 -7.520 11.095 20.583 1.00 0.00 C
676
+ ATOM 675 CD LYS A 84 -6.479 11.308 21.674 1.00 0.00 C
677
+ ATOM 676 CE LYS A 84 -6.859 12.463 22.591 1.00 0.00 C
678
+ ATOM 677 NZ LYS A 84 -5.859 12.654 23.684 1.00 0.00 N
679
+ ATOM 678 N PRO A 85 -4.847 7.923 18.697 1.00 0.00 N
680
+ ATOM 679 CA PRO A 85 -4.581 6.650 18.025 1.00 0.00 C
681
+ ATOM 680 C PRO A 85 -5.829 5.779 17.893 1.00 0.00 C
682
+ ATOM 681 CB PRO A 85 -3.543 5.982 18.931 1.00 0.00 C
683
+ ATOM 682 O PRO A 85 -6.793 5.960 18.641 1.00 0.00 O
684
+ ATOM 683 CG PRO A 85 -3.806 6.545 20.291 1.00 0.00 C
685
+ ATOM 684 CD PRO A 85 -4.240 7.974 20.140 1.00 0.00 C
686
+ ATOM 685 N PHE A 86 -5.848 4.931 16.995 1.00 0.00 N
687
+ ATOM 686 CA PHE A 86 -6.889 3.923 16.828 1.00 0.00 C
688
+ ATOM 687 C PHE A 86 -6.284 2.580 16.441 1.00 0.00 C
689
+ ATOM 688 CB PHE A 86 -7.904 4.367 15.769 1.00 0.00 C
690
+ ATOM 689 O PHE A 86 -5.156 2.519 15.946 1.00 0.00 O
691
+ ATOM 690 CG PHE A 86 -7.337 4.433 14.376 1.00 0.00 C
692
+ ATOM 691 CD1 PHE A 86 -6.904 5.641 13.844 1.00 0.00 C
693
+ ATOM 692 CD2 PHE A 86 -7.239 3.287 13.598 1.00 0.00 C
694
+ ATOM 693 CE1 PHE A 86 -6.380 5.706 12.555 1.00 0.00 C
695
+ ATOM 694 CE2 PHE A 86 -6.716 3.343 12.310 1.00 0.00 C
696
+ ATOM 695 CZ PHE A 86 -6.288 4.554 11.789 1.00 0.00 C
697
+ ATOM 696 N LYS A 87 -6.970 1.523 16.703 1.00 0.00 N
698
+ ATOM 697 CA LYS A 87 -6.759 0.159 16.227 1.00 0.00 C
699
+ ATOM 698 C LYS A 87 -8.017 -0.392 15.562 1.00 0.00 C
700
+ ATOM 699 CB LYS A 87 -6.333 -0.752 17.379 1.00 0.00 C
701
+ ATOM 700 O LYS A 87 -9.049 -0.559 16.217 1.00 0.00 O
702
+ ATOM 701 CG LYS A 87 -6.081 -2.195 16.966 1.00 0.00 C
703
+ ATOM 702 CD LYS A 87 -5.509 -3.014 18.116 1.00 0.00 C
704
+ ATOM 703 CE LYS A 87 -6.558 -3.285 19.187 1.00 0.00 C
705
+ ATOM 704 NZ LYS A 87 -6.087 -4.296 20.180 1.00 0.00 N
706
+ ATOM 705 N ILE A 88 -7.954 -0.595 14.269 1.00 0.00 N
707
+ ATOM 706 CA ILE A 88 -9.044 -1.236 13.541 1.00 0.00 C
708
+ ATOM 707 C ILE A 88 -8.704 -2.702 13.285 1.00 0.00 C
709
+ ATOM 708 CB ILE A 88 -9.334 -0.513 12.207 1.00 0.00 C
710
+ ATOM 709 O ILE A 88 -7.606 -3.019 12.821 1.00 0.00 O
711
+ ATOM 710 CG1 ILE A 88 -9.752 0.940 12.467 1.00 0.00 C
712
+ ATOM 711 CG2 ILE A 88 -10.410 -1.257 11.411 1.00 0.00 C
713
+ ATOM 712 CD1 ILE A 88 -9.807 1.802 11.213 1.00 0.00 C
714
+ ATOM 713 N GLN A 89 -9.631 -3.608 13.550 1.00 0.00 N
715
+ ATOM 714 CA GLN A 89 -9.549 -5.028 13.228 1.00 0.00 C
716
+ ATOM 715 C GLN A 89 -10.728 -5.467 12.367 1.00 0.00 C
717
+ ATOM 716 CB GLN A 89 -9.491 -5.866 14.507 1.00 0.00 C
718
+ ATOM 717 O GLN A 89 -11.881 -5.166 12.683 1.00 0.00 O
719
+ ATOM 718 CG GLN A 89 -8.272 -5.583 15.374 1.00 0.00 C
720
+ ATOM 719 CD GLN A 89 -8.367 -6.223 16.746 1.00 0.00 C
721
+ ATOM 720 NE2 GLN A 89 -7.613 -7.298 16.952 1.00 0.00 N
722
+ ATOM 721 OE1 GLN A 89 -9.110 -5.755 17.615 1.00 0.00 O
723
+ ATOM 722 N VAL A 90 -10.427 -6.117 11.284 1.00 0.00 N
724
+ ATOM 723 CA VAL A 90 -11.447 -6.688 10.411 1.00 0.00 C
725
+ ATOM 724 C VAL A 90 -11.258 -8.201 10.317 1.00 0.00 C
726
+ ATOM 725 CB VAL A 90 -11.407 -6.057 9.001 1.00 0.00 C
727
+ ATOM 726 O VAL A 90 -10.236 -8.674 9.814 1.00 0.00 O
728
+ ATOM 727 CG1 VAL A 90 -12.540 -6.602 8.134 1.00 0.00 C
729
+ ATOM 728 CG2 VAL A 90 -11.488 -4.535 9.097 1.00 0.00 C
730
+ ATOM 729 N LEU A 91 -12.192 -8.904 10.843 1.00 0.00 N
731
+ ATOM 730 CA LEU A 91 -12.204 -10.360 10.757 1.00 0.00 C
732
+ ATOM 731 C LEU A 91 -13.093 -10.830 9.610 1.00 0.00 C
733
+ ATOM 732 CB LEU A 91 -12.685 -10.972 12.075 1.00 0.00 C
734
+ ATOM 733 O LEU A 91 -14.256 -10.428 9.516 1.00 0.00 O
735
+ ATOM 734 CG LEU A 91 -12.747 -12.499 12.132 1.00 0.00 C
736
+ ATOM 735 CD1 LEU A 91 -11.355 -13.093 11.944 1.00 0.00 C
737
+ ATOM 736 CD2 LEU A 91 -13.359 -12.961 13.449 1.00 0.00 C
738
+ ATOM 737 N VAL A 92 -12.506 -11.672 8.724 1.00 0.00 N
739
+ ATOM 738 CA VAL A 92 -13.253 -12.222 7.599 1.00 0.00 C
740
+ ATOM 739 C VAL A 92 -13.937 -13.521 8.019 1.00 0.00 C
741
+ ATOM 740 CB VAL A 92 -12.339 -12.471 6.378 1.00 0.00 C
742
+ ATOM 741 O VAL A 92 -13.269 -14.514 8.317 1.00 0.00 O
743
+ ATOM 742 CG1 VAL A 92 -13.150 -12.998 5.195 1.00 0.00 C
744
+ ATOM 743 CG2 VAL A 92 -11.600 -11.190 5.995 1.00 0.00 C
745
+ ATOM 744 N GLU A 93 -15.211 -13.480 8.083 1.00 0.00 N
746
+ ATOM 745 CA GLU A 93 -16.031 -14.660 8.345 1.00 0.00 C
747
+ ATOM 746 C GLU A 93 -16.663 -15.189 7.060 1.00 0.00 C
748
+ ATOM 747 CB GLU A 93 -17.118 -14.340 9.373 1.00 0.00 C
749
+ ATOM 748 O GLU A 93 -16.607 -14.531 6.018 1.00 0.00 O
750
+ ATOM 749 CG GLU A 93 -16.577 -13.970 10.746 1.00 0.00 C
751
+ ATOM 750 CD GLU A 93 -16.128 -15.175 11.558 1.00 0.00 C
752
+ ATOM 751 OE1 GLU A 93 -16.422 -16.323 11.156 1.00 0.00 O
753
+ ATOM 752 OE2 GLU A 93 -15.477 -14.969 12.606 1.00 0.00 O
754
+ ATOM 753 N PRO A 94 -17.209 -16.345 7.080 1.00 0.00 N
755
+ ATOM 754 CA PRO A 94 -17.799 -16.891 5.856 1.00 0.00 C
756
+ ATOM 755 C PRO A 94 -18.912 -16.009 5.293 1.00 0.00 C
757
+ ATOM 756 CB PRO A 94 -18.352 -18.247 6.305 1.00 0.00 C
758
+ ATOM 757 O PRO A 94 -19.086 -15.931 4.074 1.00 0.00 O
759
+ ATOM 758 CG PRO A 94 -17.449 -18.678 7.415 1.00 0.00 C
760
+ ATOM 759 CD PRO A 94 -17.059 -17.466 8.212 1.00 0.00 C
761
+ ATOM 760 N ASP A 95 -19.592 -15.325 6.080 1.00 0.00 N
762
+ ATOM 761 CA ASP A 95 -20.793 -14.645 5.604 1.00 0.00 C
763
+ ATOM 762 C ASP A 95 -20.653 -13.129 5.735 1.00 0.00 C
764
+ ATOM 763 CB ASP A 95 -22.025 -15.127 6.372 1.00 0.00 C
765
+ ATOM 764 O ASP A 95 -21.485 -12.378 5.224 1.00 0.00 O
766
+ ATOM 765 CG ASP A 95 -22.347 -16.589 6.117 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 95 -22.226 -17.047 4.960 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 95 -22.727 -17.289 7.080 1.00 0.00 O
769
+ ATOM 768 N HIS A 96 -19.666 -12.612 6.492 1.00 0.00 N
770
+ ATOM 769 CA HIS A 96 -19.588 -11.175 6.732 1.00 0.00 C
771
+ ATOM 770 C HIS A 96 -18.179 -10.761 7.142 1.00 0.00 C
772
+ ATOM 771 CB HIS A 96 -20.591 -10.758 7.809 1.00 0.00 C
773
+ ATOM 772 O HIS A 96 -17.351 -11.610 7.482 1.00 0.00 O
774
+ ATOM 773 CG HIS A 96 -20.381 -11.439 9.123 1.00 0.00 C
775
+ ATOM 774 CD2 HIS A 96 -19.709 -11.046 10.231 1.00 0.00 C
776
+ ATOM 775 ND1 HIS A 96 -20.894 -12.687 9.405 1.00 0.00 N
777
+ ATOM 776 CE1 HIS A 96 -20.547 -13.031 10.634 1.00 0.00 C
778
+ ATOM 777 NE2 HIS A 96 -19.827 -12.053 11.156 1.00 0.00 N
779
+ ATOM 778 N PHE A 97 -17.957 -9.564 7.026 1.00 0.00 N
780
+ ATOM 779 CA PHE A 97 -16.851 -8.904 7.711 1.00 0.00 C
781
+ ATOM 780 C PHE A 97 -17.265 -8.467 9.111 1.00 0.00 C
782
+ ATOM 781 CB PHE A 97 -16.364 -7.695 6.906 1.00 0.00 C
783
+ ATOM 782 O PHE A 97 -18.360 -7.933 9.302 1.00 0.00 O
784
+ ATOM 783 CG PHE A 97 -15.790 -8.051 5.561 1.00 0.00 C
785
+ ATOM 784 CD1 PHE A 97 -14.489 -8.526 5.449 1.00 0.00 C
786
+ ATOM 785 CD2 PHE A 97 -16.553 -7.911 4.409 1.00 0.00 C
787
+ ATOM 786 CE1 PHE A 97 -13.956 -8.857 4.205 1.00 0.00 C
788
+ ATOM 787 CE2 PHE A 97 -16.027 -8.239 3.163 1.00 0.00 C
789
+ ATOM 788 CZ PHE A 97 -14.728 -8.711 3.064 1.00 0.00 C
790
+ ATOM 789 N LYS A 98 -16.447 -8.740 10.067 1.00 0.00 N
791
+ ATOM 790 CA LYS A 98 -16.614 -8.254 11.433 1.00 0.00 C
792
+ ATOM 791 C LYS A 98 -15.577 -7.187 11.769 1.00 0.00 C
793
+ ATOM 792 CB LYS A 98 -16.516 -9.411 12.429 1.00 0.00 C
794
+ ATOM 793 O LYS A 98 -14.372 -7.433 11.676 1.00 0.00 O
795
+ ATOM 794 CG LYS A 98 -17.000 -9.065 13.830 1.00 0.00 C
796
+ ATOM 795 CD LYS A 98 -16.864 -10.250 14.777 1.00 0.00 C
797
+ ATOM 796 CE LYS A 98 -17.951 -11.288 14.535 1.00 0.00 C
798
+ ATOM 797 NZ LYS A 98 -17.801 -12.468 15.438 1.00 0.00 N
799
+ ATOM 798 N VAL A 99 -16.049 -6.042 12.241 1.00 0.00 N
800
+ ATOM 799 CA VAL A 99 -15.164 -4.908 12.492 1.00 0.00 C
801
+ ATOM 800 C VAL A 99 -15.152 -4.582 13.984 1.00 0.00 C
802
+ ATOM 801 CB VAL A 99 -15.589 -3.665 11.678 1.00 0.00 C
803
+ ATOM 802 O VAL A 99 -16.209 -4.448 14.605 1.00 0.00 O
804
+ ATOM 803 CG1 VAL A 99 -14.600 -2.521 11.885 1.00 0.00 C
805
+ ATOM 804 CG2 VAL A 99 -15.707 -4.013 10.196 1.00 0.00 C
806
+ ATOM 805 N ALA A 100 -13.999 -4.439 14.515 1.00 0.00 N
807
+ ATOM 806 CA ALA A 100 -13.753 -3.908 15.853 1.00 0.00 C
808
+ ATOM 807 C ALA A 100 -12.824 -2.699 15.800 1.00 0.00 C
809
+ ATOM 808 CB ALA A 100 -13.165 -4.990 16.756 1.00 0.00 C
810
+ ATOM 809 O ALA A 100 -11.914 -2.643 14.969 1.00 0.00 O
811
+ ATOM 810 N VAL A 101 -13.072 -1.768 16.648 1.00 0.00 N
812
+ ATOM 811 CA VAL A 101 -12.212 -0.600 16.805 1.00 0.00 C
813
+ ATOM 812 C VAL A 101 -11.819 -0.441 18.272 1.00 0.00 C
814
+ ATOM 813 CB VAL A 101 -12.901 0.685 16.295 1.00 0.00 C
815
+ ATOM 814 O VAL A 101 -12.682 -0.430 19.155 1.00 0.00 O
816
+ ATOM 815 CG1 VAL A 101 -11.986 1.896 16.472 1.00 0.00 C
817
+ ATOM 816 CG2 VAL A 101 -13.306 0.529 14.830 1.00 0.00 C
818
+ ATOM 817 N ASN A 102 -10.582 -0.340 18.431 1.00 0.00 N
819
+ ATOM 818 CA ASN A 102 -10.054 -0.236 19.787 1.00 0.00 C
820
+ ATOM 819 C ASN A 102 -10.581 -1.354 20.681 1.00 0.00 C
821
+ ATOM 820 CB ASN A 102 -10.388 1.130 20.390 1.00 0.00 C
822
+ ATOM 821 O ASN A 102 -11.050 -1.097 21.792 1.00 0.00 O
823
+ ATOM 822 CG ASN A 102 -9.794 2.279 19.600 1.00 0.00 C
824
+ ATOM 823 ND2 ASN A 102 -10.461 3.426 19.629 1.00 0.00 N
825
+ ATOM 824 OD1 ASN A 102 -8.745 2.136 18.967 1.00 0.00 O
826
+ ATOM 825 N ASP A 103 -10.518 -2.482 20.189 1.00 0.00 N
827
+ ATOM 826 CA ASP A 103 -10.772 -3.754 20.861 1.00 0.00 C
828
+ ATOM 827 C ASP A 103 -12.239 -3.873 21.271 1.00 0.00 C
829
+ ATOM 828 CB ASP A 103 -9.869 -3.904 22.086 1.00 0.00 C
830
+ ATOM 829 O ASP A 103 -12.579 -4.664 22.154 1.00 0.00 O
831
+ ATOM 830 CG ASP A 103 -8.394 -3.972 21.730 1.00 0.00 C
832
+ ATOM 831 OD1 ASP A 103 -8.042 -4.601 20.710 1.00 0.00 O
833
+ ATOM 832 OD2 ASP A 103 -7.577 -3.393 22.479 1.00 0.00 O
834
+ ATOM 833 N ALA A 104 -13.044 -3.067 20.670 1.00 0.00 N
835
+ ATOM 834 CA ALA A 104 -14.485 -3.158 20.891 1.00 0.00 C
836
+ ATOM 835 C ALA A 104 -15.224 -3.435 19.585 1.00 0.00 C
837
+ ATOM 836 CB ALA A 104 -15.008 -1.875 21.533 1.00 0.00 C
838
+ ATOM 837 O ALA A 104 -14.944 -2.806 18.561 1.00 0.00 O
839
+ ATOM 838 N HIS A 105 -16.137 -4.416 19.628 1.00 0.00 N
840
+ ATOM 839 CA HIS A 105 -16.966 -4.707 18.464 1.00 0.00 C
841
+ ATOM 840 C HIS A 105 -17.710 -3.463 17.991 1.00 0.00 C
842
+ ATOM 841 CB HIS A 105 -17.960 -5.825 18.779 1.00 0.00 C
843
+ ATOM 842 O HIS A 105 -18.287 -2.734 18.802 1.00 0.00 O
844
+ ATOM 843 CG HIS A 105 -18.937 -6.089 17.678 1.00 0.00 C
845
+ ATOM 844 CD2 HIS A 105 -20.264 -5.838 17.588 1.00 0.00 C
846
+ ATOM 845 ND1 HIS A 105 -18.576 -6.685 16.490 1.00 0.00 N
847
+ ATOM 846 CE1 HIS A 105 -19.642 -6.790 15.714 1.00 0.00 C
848
+ ATOM 847 NE2 HIS A 105 -20.680 -6.283 16.357 1.00 0.00 N
849
+ ATOM 848 N LEU A 106 -17.705 -3.212 16.656 1.00 0.00 N
850
+ ATOM 849 CA LEU A 106 -18.359 -2.025 16.119 1.00 0.00 C
851
+ ATOM 850 C LEU A 106 -19.519 -2.409 15.205 1.00 0.00 C
852
+ ATOM 851 CB LEU A 106 -17.356 -1.158 15.354 1.00 0.00 C
853
+ ATOM 852 O LEU A 106 -20.650 -1.965 15.410 1.00 0.00 O
854
+ ATOM 853 CG LEU A 106 -17.900 0.138 14.752 1.00 0.00 C
855
+ ATOM 854 CD1 LEU A 106 -18.371 1.078 15.858 1.00 0.00 C
856
+ ATOM 855 CD2 LEU A 106 -16.841 0.813 13.888 1.00 0.00 C
857
+ ATOM 856 N LEU A 107 -19.282 -3.215 14.167 1.00 0.00 N
858
+ ATOM 857 CA LEU A 107 -20.328 -3.536 13.204 1.00 0.00 C
859
+ ATOM 858 C LEU A 107 -19.987 -4.809 12.435 1.00 0.00 C
860
+ ATOM 859 CB LEU A 107 -20.534 -2.376 12.227 1.00 0.00 C
861
+ ATOM 860 O LEU A 107 -18.866 -5.315 12.532 1.00 0.00 O
862
+ ATOM 861 CG LEU A 107 -19.327 -1.988 11.372 1.00 0.00 C
863
+ ATOM 862 CD1 LEU A 107 -19.217 -2.911 10.162 1.00 0.00 C
864
+ ATOM 863 CD2 LEU A 107 -19.428 -0.532 10.932 1.00 0.00 C
865
+ ATOM 864 N GLN A 108 -20.866 -5.285 11.747 1.00 0.00 N
866
+ ATOM 865 CA GLN A 108 -20.745 -6.369 10.777 1.00 0.00 C
867
+ ATOM 866 C GLN A 108 -21.273 -5.946 9.410 1.00 0.00 C
868
+ ATOM 867 CB GLN A 108 -21.488 -7.613 11.266 1.00 0.00 C
869
+ ATOM 868 O GLN A 108 -22.214 -5.155 9.319 1.00 0.00 O
870
+ ATOM 869 CG GLN A 108 -20.897 -8.226 12.528 1.00 0.00 C
871
+ ATOM 870 CD GLN A 108 -21.718 -9.388 13.057 1.00 0.00 C
872
+ ATOM 871 NE2 GLN A 108 -21.410 -9.827 14.272 1.00 0.00 N
873
+ ATOM 872 OE1 GLN A 108 -22.623 -9.885 12.379 1.00 0.00 O
874
+ ATOM 873 N TYR A 109 -20.670 -6.419 8.390 1.00 0.00 N
875
+ ATOM 874 CA TYR A 109 -21.066 -6.142 7.014 1.00 0.00 C
876
+ ATOM 875 C TYR A 109 -21.135 -7.427 6.196 1.00 0.00 C
877
+ ATOM 876 CB TYR A 109 -20.089 -5.160 6.361 1.00 0.00 C
878
+ ATOM 877 O TYR A 109 -20.107 -8.047 5.915 1.00 0.00 O
879
+ ATOM 878 CG TYR A 109 -20.540 -4.665 5.007 1.00 0.00 C
880
+ ATOM 879 CD1 TYR A 109 -21.486 -3.651 4.895 1.00 0.00 C
881
+ ATOM 880 CD2 TYR A 109 -20.020 -5.213 3.839 1.00 0.00 C
882
+ ATOM 881 CE1 TYR A 109 -21.906 -3.193 3.650 1.00 0.00 C
883
+ ATOM 882 CE2 TYR A 109 -20.432 -4.763 2.589 1.00 0.00 C
884
+ ATOM 883 OH TYR A 109 -21.785 -3.305 1.270 1.00 0.00 O
885
+ ATOM 884 CZ TYR A 109 -21.374 -3.755 2.504 1.00 0.00 C
886
+ ATOM 885 N ASN A 110 -22.303 -7.821 5.795 1.00 0.00 N
887
+ ATOM 886 CA ASN A 110 -22.475 -9.059 5.041 1.00 0.00 C
888
+ ATOM 887 C ASN A 110 -21.803 -8.979 3.673 1.00 0.00 C
889
+ ATOM 888 CB ASN A 110 -23.960 -9.391 4.884 1.00 0.00 C
890
+ ATOM 889 O ASN A 110 -21.841 -7.937 3.017 1.00 0.00 O
891
+ ATOM 890 CG ASN A 110 -24.604 -9.816 6.189 1.00 0.00 C
892
+ ATOM 891 ND2 ASN A 110 -25.896 -9.542 6.329 1.00 0.00 N
893
+ ATOM 892 OD1 ASN A 110 -23.947 -10.384 7.064 1.00 0.00 O
894
+ ATOM 893 N HIS A 111 -21.178 -10.061 3.273 1.00 0.00 N
895
+ ATOM 894 CA HIS A 111 -20.546 -10.097 1.959 1.00 0.00 C
896
+ ATOM 895 C HIS A 111 -21.566 -9.852 0.852 1.00 0.00 C
897
+ ATOM 896 CB HIS A 111 -19.844 -11.437 1.738 1.00 0.00 C
898
+ ATOM 897 O HIS A 111 -22.485 -10.652 0.661 1.00 0.00 O
899
+ ATOM 898 CG HIS A 111 -18.728 -11.695 2.701 1.00 0.00 C
900
+ ATOM 899 CD2 HIS A 111 -18.370 -12.819 3.366 1.00 0.00 C
901
+ ATOM 900 ND1 HIS A 111 -17.830 -10.720 3.078 1.00 0.00 N
902
+ ATOM 901 CE1 HIS A 111 -16.964 -11.236 3.935 1.00 0.00 C
903
+ ATOM 902 NE2 HIS A 111 -17.270 -12.508 4.126 1.00 0.00 N
904
+ ATOM 903 N ARG A 112 -21.399 -8.797 0.100 1.00 0.00 N
905
+ ATOM 904 CA ARG A 112 -22.179 -8.592 -1.115 1.00 0.00 C
906
+ ATOM 905 C ARG A 112 -21.448 -9.142 -2.335 1.00 0.00 C
907
+ ATOM 906 CB ARG A 112 -22.484 -7.106 -1.314 1.00 0.00 C
908
+ ATOM 907 O ARG A 112 -22.079 -9.524 -3.323 1.00 0.00 O
909
+ ATOM 908 CG ARG A 112 -23.338 -6.500 -0.212 1.00 0.00 C
910
+ ATOM 909 CD ARG A 112 -23.564 -5.010 -0.428 1.00 0.00 C
911
+ ATOM 910 NE ARG A 112 -24.205 -4.388 0.728 1.00 0.00 N
912
+ ATOM 911 NH1 ARG A 112 -24.025 -2.229 -0.073 1.00 0.00 N
913
+ ATOM 912 NH2 ARG A 112 -25.002 -2.623 1.962 1.00 0.00 N
914
+ ATOM 913 CZ ARG A 112 -24.409 -3.081 0.870 1.00 0.00 C
915
+ ATOM 914 N VAL A 113 -20.139 -9.110 -2.223 1.00 0.00 N
916
+ ATOM 915 CA VAL A 113 -19.287 -9.838 -3.158 1.00 0.00 C
917
+ ATOM 916 C VAL A 113 -18.850 -11.162 -2.535 1.00 0.00 C
918
+ ATOM 917 CB VAL A 113 -18.051 -9.005 -3.565 1.00 0.00 C
919
+ ATOM 918 O VAL A 113 -18.092 -11.176 -1.562 1.00 0.00 O
920
+ ATOM 919 CG1 VAL A 113 -17.127 -9.818 -4.470 1.00 0.00 C
921
+ ATOM 920 CG2 VAL A 113 -18.482 -7.714 -4.257 1.00 0.00 C
922
+ ATOM 921 N LYS A 114 -19.285 -12.236 -3.163 1.00 0.00 N
923
+ ATOM 922 CA LYS A 114 -19.170 -13.540 -2.518 1.00 0.00 C
924
+ ATOM 923 C LYS A 114 -17.843 -14.211 -2.865 1.00 0.00 C
925
+ ATOM 924 CB LYS A 114 -20.335 -14.444 -2.924 1.00 0.00 C
926
+ ATOM 925 O LYS A 114 -17.357 -15.061 -2.117 1.00 0.00 O
927
+ ATOM 926 CG LYS A 114 -21.701 -13.920 -2.505 1.00 0.00 C
928
+ ATOM 927 CD LYS A 114 -21.835 -13.856 -0.990 1.00 0.00 C
929
+ ATOM 928 CE LYS A 114 -23.242 -13.455 -0.568 1.00 0.00 C
930
+ ATOM 929 NZ LYS A 114 -23.350 -13.288 0.912 1.00 0.00 N
931
+ ATOM 930 N LYS A 115 -17.339 -13.796 -3.975 1.00 0.00 N
932
+ ATOM 931 CA LYS A 115 -16.051 -14.377 -4.344 1.00 0.00 C
933
+ ATOM 932 C LYS A 115 -14.907 -13.690 -3.603 1.00 0.00 C
934
+ ATOM 933 CB LYS A 115 -15.830 -14.281 -5.853 1.00 0.00 C
935
+ ATOM 934 O LYS A 115 -14.180 -12.882 -4.186 1.00 0.00 O
936
+ ATOM 935 CG LYS A 115 -16.749 -15.178 -6.671 1.00 0.00 C
937
+ ATOM 936 CD LYS A 115 -16.418 -15.110 -8.156 1.00 0.00 C
938
+ ATOM 937 CE LYS A 115 -17.367 -15.970 -8.981 1.00 0.00 C
939
+ ATOM 938 NZ LYS A 115 -17.103 -15.838 -10.445 1.00 0.00 N
940
+ ATOM 939 N LEU A 116 -14.683 -14.168 -2.391 1.00 0.00 N
941
+ ATOM 940 CA LEU A 116 -13.790 -13.499 -1.451 1.00 0.00 C
942
+ ATOM 941 C LEU A 116 -12.337 -13.632 -1.892 1.00 0.00 C
943
+ ATOM 942 CB LEU A 116 -13.963 -14.077 -0.043 1.00 0.00 C
944
+ ATOM 943 O LEU A 116 -11.520 -12.747 -1.627 1.00 0.00 O
945
+ ATOM 944 CG LEU A 116 -15.320 -13.846 0.622 1.00 0.00 C
946
+ ATOM 945 CD1 LEU A 116 -15.335 -14.452 2.021 1.00 0.00 C
947
+ ATOM 946 CD2 LEU A 116 -15.643 -12.356 0.676 1.00 0.00 C
948
+ ATOM 947 N ASN A 117 -12.096 -14.668 -2.603 1.00 0.00 N
949
+ ATOM 948 CA ASN A 117 -10.730 -14.927 -3.048 1.00 0.00 C
950
+ ATOM 949 C ASN A 117 -10.303 -13.956 -4.145 1.00 0.00 C
951
+ ATOM 950 CB ASN A 117 -10.589 -16.371 -3.532 1.00 0.00 C
952
+ ATOM 951 O ASN A 117 -9.140 -13.944 -4.551 1.00 0.00 O
953
+ ATOM 952 CG ASN A 117 -11.472 -16.677 -4.725 1.00 0.00 C
954
+ ATOM 953 ND2 ASN A 117 -11.018 -17.581 -5.585 1.00 0.00 N
955
+ ATOM 954 OD1 ASN A 117 -12.555 -16.103 -4.875 1.00 0.00 O
956
+ ATOM 955 N GLU A 118 -11.188 -13.148 -4.637 1.00 0.00 N
957
+ ATOM 956 CA GLU A 118 -10.868 -12.157 -5.660 1.00 0.00 C
958
+ ATOM 957 C GLU A 118 -10.579 -10.795 -5.037 1.00 0.00 C
959
+ ATOM 958 CB GLU A 118 -12.010 -12.041 -6.673 1.00 0.00 C
960
+ ATOM 959 O GLU A 118 -10.195 -9.854 -5.737 1.00 0.00 O
961
+ ATOM 960 CG GLU A 118 -12.199 -13.282 -7.532 1.00 0.00 C
962
+ ATOM 961 CD GLU A 118 -13.301 -13.133 -8.568 1.00 0.00 C
963
+ ATOM 962 OE1 GLU A 118 -13.965 -12.072 -8.600 1.00 0.00 O
964
+ ATOM 963 OE2 GLU A 118 -13.505 -14.085 -9.353 1.00 0.00 O
965
+ ATOM 964 N ILE A 119 -10.854 -10.677 -3.769 1.00 0.00 N
966
+ ATOM 965 CA ILE A 119 -10.520 -9.441 -3.069 1.00 0.00 C
967
+ ATOM 966 C ILE A 119 -9.024 -9.409 -2.764 1.00 0.00 C
968
+ ATOM 967 CB ILE A 119 -11.336 -9.291 -1.765 1.00 0.00 C
969
+ ATOM 968 O ILE A 119 -8.570 -10.012 -1.787 1.00 0.00 O
970
+ ATOM 969 CG1 ILE A 119 -12.837 -9.387 -2.062 1.00 0.00 C
971
+ ATOM 970 CG2 ILE A 119 -10.999 -7.971 -1.067 1.00 0.00 C
972
+ ATOM 971 CD1 ILE A 119 -13.704 -9.551 -0.821 1.00 0.00 C
973
+ ATOM 972 N SER A 120 -8.250 -8.714 -3.524 1.00 0.00 N
974
+ ATOM 973 CA SER A 120 -6.806 -8.928 -3.539 1.00 0.00 C
975
+ ATOM 974 C SER A 120 -6.066 -7.740 -2.933 1.00 0.00 C
976
+ ATOM 975 CB SER A 120 -6.314 -9.172 -4.965 1.00 0.00 C
977
+ ATOM 976 O SER A 120 -4.839 -7.761 -2.815 1.00 0.00 O
978
+ ATOM 977 OG SER A 120 -6.656 -8.085 -5.808 1.00 0.00 O
979
+ ATOM 978 N LYS A 121 -6.732 -6.709 -2.522 1.00 0.00 N
980
+ ATOM 979 CA LYS A 121 -6.043 -5.562 -1.939 1.00 0.00 C
981
+ ATOM 980 C LYS A 121 -6.951 -4.808 -0.973 1.00 0.00 C
982
+ ATOM 981 CB LYS A 121 -5.548 -4.618 -3.036 1.00 0.00 C
983
+ ATOM 982 O LYS A 121 -8.175 -4.820 -1.125 1.00 0.00 O
984
+ ATOM 983 CG LYS A 121 -6.661 -3.980 -3.853 1.00 0.00 C
985
+ ATOM 984 CD LYS A 121 -6.106 -3.090 -4.957 1.00 0.00 C
986
+ ATOM 985 CE LYS A 121 -7.220 -2.464 -5.785 1.00 0.00 C
987
+ ATOM 986 NZ LYS A 121 -6.680 -1.569 -6.852 1.00 0.00 N
988
+ ATOM 987 N LEU A 122 -6.365 -4.245 0.019 1.00 0.00 N
989
+ ATOM 988 CA LEU A 122 -7.006 -3.321 0.948 1.00 0.00 C
990
+ ATOM 989 C LEU A 122 -6.419 -1.919 0.811 1.00 0.00 C
991
+ ATOM 990 CB LEU A 122 -6.848 -3.813 2.389 1.00 0.00 C
992
+ ATOM 991 O LEU A 122 -5.257 -1.692 1.153 1.00 0.00 O
993
+ ATOM 992 CG LEU A 122 -7.308 -2.855 3.487 1.00 0.00 C
994
+ ATOM 993 CD1 LEU A 122 -8.806 -2.589 3.366 1.00 0.00 C
995
+ ATOM 994 CD2 LEU A 122 -6.970 -3.417 4.864 1.00 0.00 C
996
+ ATOM 995 N GLY A 123 -7.193 -1.003 0.177 1.00 0.00 N
997
+ ATOM 996 CA GLY A 123 -6.822 0.402 0.141 1.00 0.00 C
998
+ ATOM 997 C GLY A 123 -7.119 1.130 1.439 1.00 0.00 C
999
+ ATOM 998 O GLY A 123 -8.231 1.044 1.964 1.00 0.00 O
1000
+ ATOM 999 N ILE A 124 -6.168 1.825 1.995 1.00 0.00 N
1001
+ ATOM 1000 CA ILE A 124 -6.288 2.629 3.206 1.00 0.00 C
1002
+ ATOM 1001 C ILE A 124 -6.001 4.093 2.884 1.00 0.00 C
1003
+ ATOM 1002 CB ILE A 124 -5.335 2.127 4.314 1.00 0.00 C
1004
+ ATOM 1003 O ILE A 124 -4.933 4.423 2.361 1.00 0.00 O
1005
+ ATOM 1004 CG1 ILE A 124 -5.546 0.629 4.561 1.00 0.00 C
1006
+ ATOM 1005 CG2 ILE A 124 -5.535 2.929 5.603 1.00 0.00 C
1007
+ ATOM 1006 CD1 ILE A 124 -4.408 -0.040 5.320 1.00 0.00 C
1008
+ ATOM 1007 N SER A 125 -6.962 4.974 3.126 1.00 0.00 N
1009
+ ATOM 1008 CA SER A 125 -6.788 6.383 2.787 1.00 0.00 C
1010
+ ATOM 1009 C SER A 125 -7.515 7.285 3.779 1.00 0.00 C
1011
+ ATOM 1010 CB SER A 125 -7.292 6.660 1.371 1.00 0.00 C
1012
+ ATOM 1011 O SER A 125 -8.270 6.802 4.626 1.00 0.00 O
1013
+ ATOM 1012 OG SER A 125 -8.686 6.427 1.277 1.00 0.00 O
1014
+ ATOM 1013 N GLY A 126 -7.298 8.498 3.682 1.00 0.00 N
1015
+ ATOM 1014 CA GLY A 126 -7.943 9.498 4.518 1.00 0.00 C
1016
+ ATOM 1015 C GLY A 126 -6.981 10.199 5.459 1.00 0.00 C
1017
+ ATOM 1016 O GLY A 126 -5.769 10.196 5.231 1.00 0.00 O
1018
+ ATOM 1017 N ASP A 127 -7.489 10.844 6.350 1.00 0.00 N
1019
+ ATOM 1018 CA ASP A 127 -6.788 11.786 7.218 1.00 0.00 C
1020
+ ATOM 1019 C ASP A 127 -6.214 11.079 8.444 1.00 0.00 C
1021
+ ATOM 1020 CB ASP A 127 -7.725 12.915 7.653 1.00 0.00 C
1022
+ ATOM 1021 O ASP A 127 -6.605 11.372 9.576 1.00 0.00 O
1023
+ ATOM 1022 CG ASP A 127 -8.322 13.674 6.481 1.00 0.00 C
1024
+ ATOM 1023 OD1 ASP A 127 -7.568 14.094 5.577 1.00 0.00 O
1025
+ ATOM 1024 OD2 ASP A 127 -9.559 13.857 6.462 1.00 0.00 O
1026
+ ATOM 1025 N ILE A 128 -5.160 10.242 8.213 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 128 -4.555 9.470 9.292 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 128 -3.042 9.403 9.092 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 128 -5.148 8.045 9.370 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 128 -2.549 9.569 7.974 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 128 -4.869 7.279 8.071 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 128 -6.651 8.101 9.660 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 128 -5.242 5.804 8.130 1.00 0.00 C
1034
+ ATOM 1033 N ASP A 129 -2.330 9.189 10.090 1.00 0.00 N
1035
+ ATOM 1034 CA ASP A 129 -0.957 8.694 10.120 1.00 0.00 C
1036
+ ATOM 1035 C ASP A 129 -0.922 7.191 10.384 1.00 0.00 C
1037
+ ATOM 1036 CB ASP A 129 -0.142 9.435 11.182 1.00 0.00 C
1038
+ ATOM 1037 O ASP A 129 -1.225 6.743 11.492 1.00 0.00 O
1039
+ ATOM 1038 CG ASP A 129 -0.026 10.924 10.908 1.00 0.00 C
1040
+ ATOM 1039 OD1 ASP A 129 0.289 11.310 9.763 1.00 0.00 O
1041
+ ATOM 1040 OD2 ASP A 129 -0.247 11.717 11.849 1.00 0.00 O
1042
+ ATOM 1041 N LEU A 130 -0.638 6.508 9.375 1.00 0.00 N
1043
+ ATOM 1042 CA LEU A 130 -0.698 5.050 9.421 1.00 0.00 C
1044
+ ATOM 1043 C LEU A 130 0.586 4.473 10.006 1.00 0.00 C
1045
+ ATOM 1044 CB LEU A 130 -0.936 4.479 8.020 1.00 0.00 C
1046
+ ATOM 1045 O LEU A 130 1.674 4.703 9.474 1.00 0.00 O
1047
+ ATOM 1046 CG LEU A 130 -1.102 2.962 7.926 1.00 0.00 C
1048
+ ATOM 1047 CD1 LEU A 130 -2.305 2.508 8.748 1.00 0.00 C
1049
+ ATOM 1048 CD2 LEU A 130 -1.248 2.528 6.472 1.00 0.00 C
1050
+ ATOM 1049 N THR A 131 0.481 3.704 11.067 1.00 0.00 N
1051
+ ATOM 1050 CA THR A 131 1.623 3.086 11.733 1.00 0.00 C
1052
+ ATOM 1051 C THR A 131 1.912 1.708 11.145 1.00 0.00 C
1053
+ ATOM 1052 CB THR A 131 1.384 2.961 13.249 1.00 0.00 C
1054
+ ATOM 1053 O THR A 131 3.060 1.394 10.820 1.00 0.00 O
1055
+ ATOM 1054 CG2 THR A 131 2.608 2.384 13.953 1.00 0.00 C
1056
+ ATOM 1055 OG1 THR A 131 1.100 4.256 13.791 1.00 0.00 O
1057
+ ATOM 1056 N SER A 132 0.876 0.899 11.052 1.00 0.00 N
1058
+ ATOM 1057 CA SER A 132 1.041 -0.435 10.483 1.00 0.00 C
1059
+ ATOM 1058 C SER A 132 -0.273 -0.958 9.911 1.00 0.00 C
1060
+ ATOM 1059 CB SER A 132 1.571 -1.407 11.538 1.00 0.00 C
1061
+ ATOM 1060 O SER A 132 -1.350 -0.505 10.302 1.00 0.00 O
1062
+ ATOM 1061 OG SER A 132 0.565 -1.713 12.489 1.00 0.00 O
1063
+ ATOM 1062 N ALA A 133 -0.168 -1.833 8.959 1.00 0.00 N
1064
+ ATOM 1063 CA ALA A 133 -1.248 -2.602 8.347 1.00 0.00 C
1065
+ ATOM 1064 C ALA A 133 -0.805 -4.032 8.051 1.00 0.00 C
1066
+ ATOM 1065 CB ALA A 133 -1.728 -1.921 7.069 1.00 0.00 C
1067
+ ATOM 1066 O ALA A 133 0.148 -4.250 7.301 1.00 0.00 O
1068
+ ATOM 1067 N SER A 134 -1.523 -5.008 8.733 1.00 0.00 N
1069
+ ATOM 1068 CA SER A 134 -1.087 -6.396 8.613 1.00 0.00 C
1070
+ ATOM 1069 C SER A 134 -2.266 -7.357 8.723 1.00 0.00 C
1071
+ ATOM 1070 CB SER A 134 -0.047 -6.727 9.684 1.00 0.00 C
1072
+ ATOM 1071 O SER A 134 -3.378 -6.947 9.063 1.00 0.00 O
1073
+ ATOM 1072 OG SER A 134 -0.614 -6.635 10.980 1.00 0.00 O
1074
+ ATOM 1073 N TYR A 135 -2.021 -8.605 8.345 1.00 0.00 N
1075
+ ATOM 1074 CA TYR A 135 -3.056 -9.610 8.560 1.00 0.00 C
1076
+ ATOM 1075 C TYR A 135 -2.450 -10.924 9.035 1.00 0.00 C
1077
+ ATOM 1076 CB TYR A 135 -3.856 -9.839 7.273 1.00 0.00 C
1078
+ ATOM 1077 O TYR A 135 -1.266 -11.187 8.811 1.00 0.00 O
1079
+ ATOM 1078 CG TYR A 135 -3.016 -10.306 6.110 1.00 0.00 C
1080
+ ATOM 1079 CD1 TYR A 135 -2.477 -9.394 5.205 1.00 0.00 C
1081
+ ATOM 1080 CD2 TYR A 135 -2.760 -11.658 5.914 1.00 0.00 C
1082
+ ATOM 1081 CE1 TYR A 135 -1.703 -9.820 4.130 1.00 0.00 C
1083
+ ATOM 1082 CE2 TYR A 135 -1.987 -12.095 4.843 1.00 0.00 C
1084
+ ATOM 1083 OH TYR A 135 -0.699 -11.598 2.896 1.00 0.00 O
1085
+ ATOM 1084 CZ TYR A 135 -1.463 -11.170 3.958 1.00 0.00 C
1086
+ ATOM 1085 N THR A 136 -3.242 -11.653 9.765 1.00 0.00 N
1087
+ ATOM 1086 CA THR A 136 -2.908 -12.980 10.269 1.00 0.00 C
1088
+ ATOM 1087 C THR A 136 -4.110 -13.915 10.168 1.00 0.00 C
1089
+ ATOM 1088 CB THR A 136 -2.425 -12.918 11.730 1.00 0.00 C
1090
+ ATOM 1089 O THR A 136 -5.251 -13.459 10.069 1.00 0.00 O
1091
+ ATOM 1090 CG2 THR A 136 -3.544 -12.466 12.662 1.00 0.00 C
1092
+ ATOM 1091 OG1 THR A 136 -1.976 -14.218 12.134 1.00 0.00 O
1093
+ ATOM 1092 N MET A 137 -3.846 -15.259 10.132 1.00 0.00 N
1094
+ ATOM 1093 CA MET A 137 -4.907 -16.258 10.221 1.00 0.00 C
1095
+ ATOM 1094 C MET A 137 -5.164 -16.650 11.674 1.00 0.00 C
1096
+ ATOM 1095 CB MET A 137 -4.550 -17.498 9.401 1.00 0.00 C
1097
+ ATOM 1096 O MET A 137 -4.223 -16.909 12.426 1.00 0.00 O
1098
+ ATOM 1097 CG MET A 137 -4.298 -17.208 7.930 1.00 0.00 C
1099
+ ATOM 1098 SD MET A 137 -5.758 -16.471 7.099 1.00 0.00 S
1100
+ ATOM 1099 CE MET A 137 -6.892 -17.888 7.127 1.00 0.00 C
1101
+ ATOM 1100 N ILE A 138 -6.516 -16.646 12.009 1.00 0.00 N
1102
+ ATOM 1101 CA ILE A 138 -6.780 -16.981 13.404 1.00 0.00 C
1103
+ ATOM 1102 C ILE A 138 -7.730 -18.174 13.477 1.00 0.00 C
1104
+ ATOM 1103 CB ILE A 138 -7.370 -15.777 14.172 1.00 0.00 C
1105
+ ATOM 1104 O ILE A 138 -8.467 -18.448 12.527 1.00 0.00 O
1106
+ ATOM 1105 CG1 ILE A 138 -8.707 -15.352 13.552 1.00 0.00 C
1107
+ ATOM 1106 CG2 ILE A 138 -6.379 -14.610 14.191 1.00 0.00 C
1108
+ ATOM 1107 CD1 ILE A 138 -9.497 -14.368 14.403 1.00 0.00 C
1109
+ ATOM 1108 OXT ILE A 138 -7.273 -18.376 14.582 1.00 0.00 O
1110
+ TER 1109 ILE A 138
1111
+ END
6qgf/6qgf_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qgf/6qgf_rdkit_ligand.pdb ADDED
@@ -0,0 +1,100 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qgf_ligand
2
+ HETATM 1 C1 UNL 1 -5.165 2.636 0.946 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -5.458 3.884 0.473 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -6.436 4.497 2.544 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 -6.146 3.257 3.018 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -4.495 1.662 0.099 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 -4.144 0.357 0.462 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 -2.973 -2.247 -1.922 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 -3.047 -1.600 -0.567 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 -1.700 -1.662 0.082 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 1.775 -1.861 0.694 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 6.722 1.111 -0.174 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 7.523 3.035 -1.397 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 8.963 1.168 -1.102 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 -5.510 2.305 2.238 1.00 0.00 C
16
+ HETATM 15 C15 UNL 1 -6.099 4.840 1.262 1.00 0.00 C
17
+ HETATM 16 C16 UNL 1 -2.582 -3.690 -1.656 1.00 0.00 C
18
+ HETATM 17 C17 UNL 1 -0.966 -2.922 -0.110 1.00 0.00 C
19
+ HETATM 18 C18 UNL 1 -2.509 -4.378 -3.018 1.00 0.00 C
20
+ HETATM 19 C19 UNL 1 1.420 -0.437 1.001 1.00 0.00 C
21
+ HETATM 20 C20 UNL 1 2.363 0.090 2.086 1.00 0.00 C
22
+ HETATM 21 C21 UNL 1 5.660 0.446 0.567 1.00 0.00 C
23
+ HETATM 22 C22 UNL 1 4.402 0.924 0.854 1.00 0.00 C
24
+ HETATM 23 C23 UNL 1 6.542 2.375 -0.694 1.00 0.00 C
25
+ HETATM 24 C24 UNL 1 8.746 2.445 -1.612 1.00 0.00 C
26
+ HETATM 25 C25 UNL 1 7.948 0.524 -0.392 1.00 0.00 C
27
+ HETATM 26 F1 UNL 1 -6.483 2.935 4.283 1.00 0.00 F
28
+ HETATM 27 F2 UNL 1 7.302 4.272 -1.888 1.00 0.00 F
29
+ HETATM 28 N1 UNL 1 -4.079 1.785 -1.173 1.00 0.00 N
30
+ HETATM 29 N2 UNL 1 -3.514 0.648 -1.570 1.00 0.00 N
31
+ HETATM 30 N3 UNL 1 -3.537 -0.243 -0.599 1.00 0.00 N
32
+ HETATM 31 N4 UNL 1 3.712 -0.006 1.570 1.00 0.00 N
33
+ HETATM 32 N5 UNL 1 4.552 -1.025 1.704 1.00 0.00 N
34
+ HETATM 33 N6 UNL 1 5.708 -0.777 1.119 1.00 0.00 N
35
+ HETATM 34 O1 UNL 1 -1.410 -3.832 -1.023 1.00 0.00 O
36
+ HETATM 35 O2 UNL 1 -2.011 -1.676 -2.750 1.00 0.00 O
37
+ HETATM 36 O3 UNL 1 -2.244 -5.724 -2.883 1.00 0.00 O
38
+ HETATM 37 O4 UNL 1 -1.948 -1.463 1.456 1.00 0.00 O
39
+ HETATM 38 O5 UNL 1 1.531 0.324 -0.157 1.00 0.00 O
40
+ HETATM 39 S1 UNL 1 0.758 -2.574 -0.558 1.00 0.00 S
41
+ HETATM 40 H1 UNL 1 -5.207 4.186 -0.527 1.00 0.00 H
42
+ HETATM 41 H2 UNL 1 -6.934 5.208 3.189 1.00 0.00 H
43
+ HETATM 42 H3 UNL 1 -4.327 -0.087 1.416 1.00 0.00 H
44
+ HETATM 43 H4 UNL 1 -3.970 -2.289 -2.408 1.00 0.00 H
45
+ HETATM 44 H5 UNL 1 -3.757 -2.245 0.032 1.00 0.00 H
46
+ HETATM 45 H6 UNL 1 -1.079 -0.818 -0.319 1.00 0.00 H
47
+ HETATM 46 H7 UNL 1 2.850 -1.879 0.322 1.00 0.00 H
48
+ HETATM 47 H8 UNL 1 1.815 -2.467 1.639 1.00 0.00 H
49
+ HETATM 48 H9 UNL 1 9.925 0.681 -1.260 1.00 0.00 H
50
+ HETATM 49 H10 UNL 1 -5.312 1.341 2.680 1.00 0.00 H
51
+ HETATM 50 H11 UNL 1 -6.312 5.804 0.863 1.00 0.00 H
52
+ HETATM 51 H12 UNL 1 -3.459 -4.126 -1.094 1.00 0.00 H
53
+ HETATM 52 H13 UNL 1 -0.877 -3.411 0.921 1.00 0.00 H
54
+ HETATM 53 H14 UNL 1 -3.464 -4.216 -3.598 1.00 0.00 H
55
+ HETATM 54 H15 UNL 1 -1.714 -3.935 -3.647 1.00 0.00 H
56
+ HETATM 55 H16 UNL 1 0.407 -0.296 1.401 1.00 0.00 H
57
+ HETATM 56 H17 UNL 1 2.221 -0.437 3.033 1.00 0.00 H
58
+ HETATM 57 H18 UNL 1 2.161 1.168 2.276 1.00 0.00 H
59
+ HETATM 58 H19 UNL 1 3.996 1.905 0.561 1.00 0.00 H
60
+ HETATM 59 H20 UNL 1 5.568 2.859 -0.529 1.00 0.00 H
61
+ HETATM 60 H21 UNL 1 9.513 2.966 -2.165 1.00 0.00 H
62
+ HETATM 61 H22 UNL 1 8.113 -0.462 0.004 1.00 0.00 H
63
+ HETATM 62 H23 UNL 1 -1.171 -2.177 -2.807 1.00 0.00 H
64
+ HETATM 63 H24 UNL 1 -2.028 -5.956 -1.932 1.00 0.00 H
65
+ HETATM 64 H25 UNL 1 -1.970 -0.502 1.681 1.00 0.00 H
66
+ HETATM 65 H26 UNL 1 1.842 -0.216 -0.941 1.00 0.00 H
67
+ CONECT 1 2 2 5 14
68
+ CONECT 2 15 40
69
+ CONECT 3 4 15 15 41
70
+ CONECT 4 14 14 26
71
+ CONECT 5 6 6 28
72
+ CONECT 6 30 42
73
+ CONECT 7 8 16 35 43
74
+ CONECT 8 9 30 44
75
+ CONECT 9 17 37 45
76
+ CONECT 10 19 39 46 47
77
+ CONECT 11 21 23 25 25
78
+ CONECT 12 23 23 24 27
79
+ CONECT 13 24 24 25 48
80
+ CONECT 14 49
81
+ CONECT 15 50
82
+ CONECT 16 18 34 51
83
+ CONECT 17 34 39 52
84
+ CONECT 18 36 53 54
85
+ CONECT 19 20 38 55
86
+ CONECT 20 31 56 57
87
+ CONECT 21 22 22 33
88
+ CONECT 22 31 58
89
+ CONECT 23 59
90
+ CONECT 24 60
91
+ CONECT 25 61
92
+ CONECT 28 29 29
93
+ CONECT 29 30
94
+ CONECT 31 32
95
+ CONECT 32 33 33
96
+ CONECT 35 62
97
+ CONECT 36 63
98
+ CONECT 37 64
99
+ CONECT 38 65
100
+ END
6qi7/6qi7_ligand.mol2 ADDED
@@ -0,0 +1,113 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:16:32 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qi7_ligand
7
+ 49 48 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C1 -1.2960 -1.3500 -17.1620 C.2 1 PLM 0.0348
14
+ 2 O1 -1.8000 -0.4060 -16.5290 O.co2 1 PLM -0.5690
15
+ 3 O2 -0.1660 -1.8100 -16.9170 O.co2 1 PLM -0.5690
16
+ 4 C2 -2.0990 -1.9790 -18.2880 C.3 1 PLM 0.0002
17
+ 5 C3 -3.5760 -1.7680 -18.2140 C.3 1 PLM -0.0414
18
+ 6 C4 -4.3100 -2.9850 -17.6930 C.3 1 PLM -0.0516
19
+ 7 C5 -4.0140 -4.2620 -18.4400 C.3 1 PLM -0.0530
20
+ 8 C6 -4.1980 -5.5020 -17.6110 C.3 1 PLM -0.0531
21
+ 9 C7 -4.9900 -6.5740 -18.2990 C.3 1 PLM -0.0531
22
+ 10 C8 -6.2910 -6.8850 -17.6370 C.3 1 PLM -0.0531
23
+ 11 C9 -7.3930 -7.1690 -18.5930 C.3 1 PLM -0.0531
24
+ 12 CA -8.0210 -8.5010 -18.4150 C.3 1 PLM -0.0531
25
+ 13 CB -9.5160 -8.4770 -18.4680 C.3 1 PLM -0.0531
26
+ 14 CC -10.0880 -9.7300 -19.0160 C.3 1 PLM -0.0531
27
+ 15 CD -11.5470 -9.6480 -19.2420 C.3 1 PLM -0.0531
28
+ 16 CE -12.2380 -10.9620 -19.1430 C.3 1 PLM -0.0533
29
+ 17 CF -12.5840 -11.5320 -20.4610 C.3 1 PLM -0.0559
30
+ 18 CG -13.5520 -12.6660 -20.3260 C.3 1 PLM -0.0653
31
+ 19 H1 -1.9096 -3.0625 -18.2764 H 1 PLM 0.0430
32
+ 20 H2 -1.7423 -1.5545 -19.2380 H 1 PLM 0.0430
33
+ 21 H3 -3.9500 -1.5352 -19.2219 H 1 PLM 0.0283
34
+ 22 H4 -3.7781 -0.9202 -17.5430 H 1 PLM 0.0283
35
+ 23 H5 -5.3904 -2.7898 -17.7611 H 1 PLM 0.0266
36
+ 24 H6 -4.0293 -3.1305 -16.6394 H 1 PLM 0.0266
37
+ 25 H7 -2.9708 -4.2277 -18.7871 H 1 PLM 0.0265
38
+ 26 H8 -4.6874 -4.3211 -19.3077 H 1 PLM 0.0265
39
+ 27 H9 -4.7203 -5.2254 -16.6833 H 1 PLM 0.0265
40
+ 28 H10 -3.2050 -5.9068 -17.3661 H 1 PLM 0.0265
41
+ 29 H11 -4.3844 -7.4920 -18.3205 H 1 PLM 0.0265
42
+ 30 H12 -5.1953 -6.2459 -19.3287 H 1 PLM 0.0265
43
+ 31 H13 -6.5811 -6.0230 -17.0184 H 1 PLM 0.0265
44
+ 32 H14 -6.1521 -7.7671 -16.9947 H 1 PLM 0.0265
45
+ 33 H15 -6.9879 -7.1118 -19.6141 H 1 PLM 0.0265
46
+ 34 H16 -8.1696 -6.4009 -18.4631 H 1 PLM 0.0265
47
+ 35 H17 -7.7153 -8.9004 -17.4367 H 1 PLM 0.0265
48
+ 36 H18 -7.6566 -9.1653 -19.2124 H 1 PLM 0.0265
49
+ 37 H19 -9.8324 -7.6376 -19.1046 H 1 PLM 0.0265
50
+ 38 H20 -9.9022 -8.3300 -17.4486 H 1 PLM 0.0265
51
+ 39 H21 -9.8885 -10.5463 -18.3062 H 1 PLM 0.0265
52
+ 40 H22 -9.5965 -9.9497 -19.9752 H 1 PLM 0.0265
53
+ 41 H23 -11.7210 -9.2382 -20.2478 H 1 PLM 0.0265
54
+ 42 H24 -11.9782 -8.9705 -18.4903 H 1 PLM 0.0265
55
+ 43 H25 -13.1641 -10.8285 -18.5647 H 1 PLM 0.0265
56
+ 44 H26 -11.5766 -11.6674 -18.6186 H 1 PLM 0.0265
57
+ 45 H27 -11.6668 -11.8995 -20.9444 H 1 PLM 0.0263
58
+ 46 H28 -13.0371 -10.7463 -21.0834 H 1 PLM 0.0263
59
+ 47 H29 -13.7883 -13.0669 -21.3227 H 1 PLM 0.0230
60
+ 48 H30 -14.4746 -12.3056 -19.8476 H 1 PLM 0.0230
61
+ 49 H31 -13.1043 -13.4587 -19.7086 H 1 PLM 0.0230
62
+ @<TRIPOS>BOND
63
+ 1 1 2 ar
64
+ 2 1 3 ar
65
+ 3 1 4 1
66
+ 4 4 5 1
67
+ 5 5 6 1
68
+ 6 6 7 1
69
+ 7 7 8 1
70
+ 8 8 9 1
71
+ 9 9 10 1
72
+ 10 10 11 1
73
+ 11 11 12 1
74
+ 12 12 13 1
75
+ 13 13 14 1
76
+ 14 14 15 1
77
+ 15 15 16 1
78
+ 16 16 17 1
79
+ 17 17 18 1
80
+ 18 4 19 1
81
+ 19 4 20 1
82
+ 20 5 21 1
83
+ 21 5 22 1
84
+ 22 6 23 1
85
+ 23 6 24 1
86
+ 24 7 25 1
87
+ 25 7 26 1
88
+ 26 8 27 1
89
+ 27 8 28 1
90
+ 28 9 29 1
91
+ 29 9 30 1
92
+ 30 10 31 1
93
+ 31 10 32 1
94
+ 32 11 33 1
95
+ 33 11 34 1
96
+ 34 12 35 1
97
+ 35 12 36 1
98
+ 36 13 37 1
99
+ 37 13 38 1
100
+ 38 14 39 1
101
+ 39 14 40 1
102
+ 40 15 41 1
103
+ 41 15 42 1
104
+ 42 16 43 1
105
+ 43 16 44 1
106
+ 44 17 45 1
107
+ 45 17 46 1
108
+ 46 18 47 1
109
+ 47 18 48 1
110
+ 48 18 49 1
111
+ @<TRIPOS>SUBSTRUCTURE
112
+ 1 PLM 1
113
+
6qi7/6qi7_ligand.sdf ADDED
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-08-19
2
+ ATOM 1 N VAL A 1 -2.386 -27.395 -16.849 1.00 0.00 N
3
+ ATOM 2 CA VAL A 1 -3.009 -26.505 -17.822 1.00 0.00 C
4
+ ATOM 3 C VAL A 1 -4.378 -26.058 -17.312 1.00 0.00 C
5
+ ATOM 4 CB VAL A 1 -3.152 -27.184 -19.203 1.00 0.00 C
6
+ ATOM 5 O VAL A 1 -5.222 -26.889 -16.969 1.00 0.00 O
7
+ ATOM 6 CG1 VAL A 1 -3.755 -26.217 -20.220 1.00 0.00 C
8
+ ATOM 7 CG2 VAL A 1 -1.797 -27.697 -19.687 1.00 0.00 C
9
+ ATOM 8 N THR A 2 -4.499 -24.695 -17.057 1.00 0.00 N
10
+ ATOM 9 CA THR A 2 -5.810 -24.207 -16.641 1.00 0.00 C
11
+ ATOM 10 C THR A 2 -6.873 -24.565 -17.676 1.00 0.00 C
12
+ ATOM 11 CB THR A 2 -5.795 -22.683 -16.423 1.00 0.00 C
13
+ ATOM 12 O THR A 2 -6.643 -24.437 -18.880 1.00 0.00 O
14
+ ATOM 13 CG2 THR A 2 -7.023 -22.228 -15.640 1.00 0.00 C
15
+ ATOM 14 OG1 THR A 2 -4.616 -22.322 -15.693 1.00 0.00 O
16
+ ATOM 15 N GLN A 3 -7.944 -25.289 -17.194 1.00 0.00 N
17
+ ATOM 16 CA GLN A 3 -9.008 -25.729 -18.090 1.00 0.00 C
18
+ ATOM 17 C GLN A 3 -9.911 -24.564 -18.486 1.00 0.00 C
19
+ ATOM 18 CB GLN A 3 -9.837 -26.836 -17.437 1.00 0.00 C
20
+ ATOM 19 O GLN A 3 -10.337 -23.782 -17.631 1.00 0.00 O
21
+ ATOM 20 CG GLN A 3 -10.762 -27.564 -18.404 1.00 0.00 C
22
+ ATOM 21 CD GLN A 3 -11.418 -28.782 -17.784 1.00 0.00 C
23
+ ATOM 22 NE2 GLN A 3 -12.214 -29.494 -18.574 1.00 0.00 N
24
+ ATOM 23 OE1 GLN A 3 -11.209 -29.083 -16.604 1.00 0.00 O
25
+ ATOM 24 N THR A 4 -10.061 -24.402 -19.834 1.00 0.00 N
26
+ ATOM 25 CA THR A 4 -10.938 -23.364 -20.363 1.00 0.00 C
27
+ ATOM 26 C THR A 4 -12.297 -23.945 -20.742 1.00 0.00 C
28
+ ATOM 27 CB THR A 4 -10.312 -22.675 -21.590 1.00 0.00 C
29
+ ATOM 28 O THR A 4 -12.423 -25.153 -20.960 1.00 0.00 O
30
+ ATOM 29 CG2 THR A 4 -8.976 -22.030 -21.236 1.00 0.00 C
31
+ ATOM 30 OG1 THR A 4 -10.102 -23.647 -22.621 1.00 0.00 O
32
+ ATOM 31 N MET A 5 -13.258 -23.050 -20.616 1.00 0.00 N
33
+ ATOM 32 CA MET A 5 -14.594 -23.452 -21.044 1.00 0.00 C
34
+ ATOM 33 C MET A 5 -14.597 -23.850 -22.517 1.00 0.00 C
35
+ ATOM 34 CB MET A 5 -15.598 -22.323 -20.805 1.00 0.00 C
36
+ ATOM 35 O MET A 5 -13.856 -23.279 -23.320 1.00 0.00 O
37
+ ATOM 36 CG MET A 5 -17.034 -22.702 -21.133 1.00 0.00 C
38
+ ATOM 37 SD MET A 5 -18.195 -21.293 -20.934 1.00 0.00 S
39
+ ATOM 38 CE MET A 5 -19.717 -22.041 -21.579 1.00 0.00 C
40
+ ATOM 39 N LYS A 6 -15.424 -24.943 -22.748 1.00 0.00 N
41
+ ATOM 40 CA LYS A 6 -15.595 -25.320 -24.147 1.00 0.00 C
42
+ ATOM 41 C LYS A 6 -16.742 -24.543 -24.789 1.00 0.00 C
43
+ ATOM 42 CB LYS A 6 -15.848 -26.824 -24.271 1.00 0.00 C
44
+ ATOM 43 O LYS A 6 -17.770 -24.305 -24.153 1.00 0.00 O
45
+ ATOM 44 CG LYS A 6 -14.683 -27.687 -23.808 1.00 0.00 C
46
+ ATOM 45 CD LYS A 6 -14.958 -29.167 -24.037 1.00 0.00 C
47
+ ATOM 46 CE LYS A 6 -13.813 -30.034 -23.533 1.00 0.00 C
48
+ ATOM 47 NZ LYS A 6 -14.076 -31.487 -23.761 1.00 0.00 N
49
+ ATOM 48 N GLY A 7 -16.475 -24.084 -25.966 1.00 0.00 N
50
+ ATOM 49 CA GLY A 7 -17.540 -23.535 -26.791 1.00 0.00 C
51
+ ATOM 50 C GLY A 7 -18.020 -22.176 -26.319 1.00 0.00 C
52
+ ATOM 51 O GLY A 7 -19.224 -21.943 -26.200 1.00 0.00 O
53
+ ATOM 52 N LEU A 8 -17.220 -21.204 -25.959 1.00 0.00 N
54
+ ATOM 53 CA LEU A 8 -17.606 -19.856 -25.552 1.00 0.00 C
55
+ ATOM 54 C LEU A 8 -18.265 -19.109 -26.706 1.00 0.00 C
56
+ ATOM 55 CB LEU A 8 -16.387 -19.076 -25.055 1.00 0.00 C
57
+ ATOM 56 O LEU A 8 -17.726 -19.068 -27.814 1.00 0.00 O
58
+ ATOM 57 CG LEU A 8 -16.646 -17.648 -24.572 1.00 0.00 C
59
+ ATOM 58 CD1 LEU A 8 -17.372 -17.665 -23.231 1.00 0.00 C
60
+ ATOM 59 CD2 LEU A 8 -15.338 -16.872 -24.468 1.00 0.00 C
61
+ ATOM 60 N ASP A 9 -19.505 -18.688 -26.465 1.00 0.00 N
62
+ ATOM 61 CA ASP A 9 -20.140 -17.722 -27.356 1.00 0.00 C
63
+ ATOM 62 C ASP A 9 -19.783 -16.291 -26.959 1.00 0.00 C
64
+ ATOM 63 CB ASP A 9 -21.659 -17.905 -27.352 1.00 0.00 C
65
+ ATOM 64 O ASP A 9 -20.403 -15.717 -26.061 1.00 0.00 O
66
+ ATOM 65 CG ASP A 9 -22.361 -17.065 -28.404 1.00 0.00 C
67
+ ATOM 66 OD1 ASP A 9 -21.764 -16.085 -28.899 1.00 0.00 O
68
+ ATOM 67 OD2 ASP A 9 -23.522 -17.384 -28.739 1.00 0.00 O
69
+ ATOM 68 N ILE A 10 -18.866 -15.693 -27.561 1.00 0.00 N
70
+ ATOM 69 CA ILE A 10 -18.264 -14.421 -27.175 1.00 0.00 C
71
+ ATOM 70 C ILE A 10 -19.313 -13.313 -27.242 1.00 0.00 C
72
+ ATOM 71 CB ILE A 10 -17.057 -14.073 -28.074 1.00 0.00 C
73
+ ATOM 72 O ILE A 10 -19.252 -12.346 -26.481 1.00 0.00 O
74
+ ATOM 73 CG1 ILE A 10 -16.260 -12.911 -27.471 1.00 0.00 C
75
+ ATOM 74 CG2 ILE A 10 -17.521 -13.737 -29.495 1.00 0.00 C
76
+ ATOM 75 CD1 ILE A 10 -14.859 -12.756 -28.047 1.00 0.00 C
77
+ ATOM 76 N GLN A 11 -20.330 -13.437 -28.165 1.00 0.00 N
78
+ ATOM 77 CA GLN A 11 -21.361 -12.412 -28.288 1.00 0.00 C
79
+ ATOM 78 C GLN A 11 -22.214 -12.336 -27.025 1.00 0.00 C
80
+ ATOM 79 CB GLN A 11 -22.247 -12.684 -29.504 1.00 0.00 C
81
+ ATOM 80 O GLN A 11 -22.718 -11.267 -26.674 1.00 0.00 O
82
+ ATOM 81 CG GLN A 11 -21.513 -12.586 -30.835 1.00 0.00 C
83
+ ATOM 82 CD GLN A 11 -20.905 -11.215 -31.070 1.00 0.00 C
84
+ ATOM 83 NE2 GLN A 11 -19.736 -11.185 -31.699 1.00 0.00 N
85
+ ATOM 84 OE1 GLN A 11 -21.482 -10.192 -30.689 1.00 0.00 O
86
+ ATOM 85 N LYS A 12 -22.258 -13.415 -26.364 1.00 0.00 N
87
+ ATOM 86 CA LYS A 12 -23.149 -13.485 -25.209 1.00 0.00 C
88
+ ATOM 87 C LYS A 12 -22.484 -12.898 -23.967 1.00 0.00 C
89
+ ATOM 88 CB LYS A 12 -23.573 -14.930 -24.943 1.00 0.00 C
90
+ ATOM 89 O LYS A 12 -23.152 -12.639 -22.962 1.00 0.00 O
91
+ ATOM 90 CG LYS A 12 -24.560 -15.482 -25.959 1.00 0.00 C
92
+ ATOM 91 CD LYS A 12 -25.026 -16.882 -25.583 1.00 0.00 C
93
+ ATOM 92 CE LYS A 12 -26.069 -17.408 -26.560 1.00 0.00 C
94
+ ATOM 93 NZ LYS A 12 -26.471 -18.810 -26.240 1.00 0.00 N
95
+ ATOM 94 N VAL A 13 -21.279 -12.621 -23.957 1.00 0.00 N
96
+ ATOM 95 CA VAL A 13 -20.627 -12.037 -22.789 1.00 0.00 C
97
+ ATOM 96 C VAL A 13 -20.713 -10.514 -22.855 1.00 0.00 C
98
+ ATOM 97 CB VAL A 13 -19.151 -12.484 -22.681 1.00 0.00 C
99
+ ATOM 98 O VAL A 13 -20.301 -9.822 -21.922 1.00 0.00 O
100
+ ATOM 99 CG1 VAL A 13 -19.054 -14.005 -22.576 1.00 0.00 C
101
+ ATOM 100 CG2 VAL A 13 -18.352 -11.976 -23.880 1.00 0.00 C
102
+ ATOM 101 N ALA A 14 -21.261 -10.001 -23.833 1.00 0.00 N
103
+ ATOM 102 CA ALA A 14 -21.352 -8.555 -24.022 1.00 0.00 C
104
+ ATOM 103 C ALA A 14 -22.214 -7.913 -22.939 1.00 0.00 C
105
+ ATOM 104 CB ALA A 14 -21.915 -8.233 -25.406 1.00 0.00 C
106
+ ATOM 105 O ALA A 14 -23.229 -8.479 -22.528 1.00 0.00 O
107
+ ATOM 106 N GLY A 15 -21.724 -6.700 -22.565 1.00 0.00 N
108
+ ATOM 107 CA GLY A 15 -22.537 -5.919 -21.645 1.00 0.00 C
109
+ ATOM 108 C GLY A 15 -21.802 -5.539 -20.374 1.00 0.00 C
110
+ ATOM 109 O GLY A 15 -20.571 -5.584 -20.325 1.00 0.00 O
111
+ ATOM 110 N THR A 16 -22.539 -5.092 -19.389 1.00 0.00 N
112
+ ATOM 111 CA THR A 16 -22.000 -4.589 -18.130 1.00 0.00 C
113
+ ATOM 112 C THR A 16 -21.683 -5.741 -17.180 1.00 0.00 C
114
+ ATOM 113 CB THR A 16 -22.982 -3.616 -17.451 1.00 0.00 C
115
+ ATOM 114 O THR A 16 -22.439 -6.710 -17.097 1.00 0.00 O
116
+ ATOM 115 CG2 THR A 16 -22.392 -3.048 -16.165 1.00 0.00 C
117
+ ATOM 116 OG1 THR A 16 -23.272 -2.536 -18.348 1.00 0.00 O
118
+ ATOM 117 N TRP A 17 -20.594 -5.570 -16.534 1.00 0.00 N
119
+ ATOM 118 CA TRP A 17 -20.171 -6.524 -15.513 1.00 0.00 C
120
+ ATOM 119 C TRP A 17 -19.683 -5.801 -14.261 1.00 0.00 C
121
+ ATOM 120 CB TRP A 17 -19.067 -7.437 -16.054 1.00 0.00 C
122
+ ATOM 121 O TRP A 17 -19.284 -4.636 -14.325 1.00 0.00 O
123
+ ATOM 122 CG TRP A 17 -19.504 -8.318 -17.184 1.00 0.00 C
124
+ ATOM 123 CD1 TRP A 17 -19.445 -8.035 -18.521 1.00 0.00 C
125
+ ATOM 124 CD2 TRP A 17 -20.074 -9.626 -17.076 1.00 0.00 C
126
+ ATOM 125 CE2 TRP A 17 -20.336 -10.077 -18.389 1.00 0.00 C
127
+ ATOM 126 CE3 TRP A 17 -20.388 -10.462 -15.996 1.00 0.00 C
128
+ ATOM 127 NE1 TRP A 17 -19.944 -9.088 -19.251 1.00 0.00 N
129
+ ATOM 128 CH2 TRP A 17 -21.195 -12.127 -17.575 1.00 0.00 C
130
+ ATOM 129 CZ2 TRP A 17 -20.898 -11.330 -18.651 1.00 0.00 C
131
+ ATOM 130 CZ3 TRP A 17 -20.947 -11.707 -16.259 1.00 0.00 C
132
+ ATOM 131 N TYR A 18 -19.695 -6.567 -13.122 1.00 0.00 N
133
+ ATOM 132 CA TYR A 18 -19.217 -6.048 -11.846 1.00 0.00 C
134
+ ATOM 133 C TYR A 18 -18.229 -7.012 -11.201 1.00 0.00 C
135
+ ATOM 134 CB TYR A 18 -20.389 -5.788 -10.896 1.00 0.00 C
136
+ ATOM 135 O TYR A 18 -18.465 -8.222 -11.168 1.00 0.00 O
137
+ ATOM 136 CG TYR A 18 -21.411 -4.821 -11.444 1.00 0.00 C
138
+ ATOM 137 CD1 TYR A 18 -21.330 -3.459 -11.163 1.00 0.00 C
139
+ ATOM 138 CD2 TYR A 18 -22.460 -5.268 -12.241 1.00 0.00 C
140
+ ATOM 139 CE1 TYR A 18 -22.271 -2.565 -11.663 1.00 0.00 C
141
+ ATOM 140 CE2 TYR A 18 -23.406 -4.383 -12.747 1.00 0.00 C
142
+ ATOM 141 OH TYR A 18 -24.237 -2.155 -12.951 1.00 0.00 O
143
+ ATOM 142 CZ TYR A 18 -23.303 -3.035 -12.454 1.00 0.00 C
144
+ ATOM 143 N SER A 19 -17.160 -6.444 -10.730 1.00 0.00 N
145
+ ATOM 144 CA SER A 19 -16.145 -7.274 -10.093 1.00 0.00 C
146
+ ATOM 145 C SER A 19 -16.600 -7.745 -8.715 1.00 0.00 C
147
+ ATOM 146 CB SER A 19 -14.827 -6.510 -9.970 1.00 0.00 C
148
+ ATOM 147 O SER A 19 -16.960 -6.930 -7.863 1.00 0.00 O
149
+ ATOM 148 OG SER A 19 -14.317 -6.176 -11.249 1.00 0.00 O
150
+ ATOM 149 N LEU A 20 -16.527 -9.011 -8.575 1.00 0.00 N
151
+ ATOM 150 CA LEU A 20 -16.964 -9.582 -7.305 1.00 0.00 C
152
+ ATOM 151 C LEU A 20 -15.771 -10.061 -6.487 1.00 0.00 C
153
+ ATOM 152 CB LEU A 20 -17.933 -10.743 -7.545 1.00 0.00 C
154
+ ATOM 153 O LEU A 20 -15.728 -9.864 -5.269 1.00 0.00 O
155
+ ATOM 154 CG LEU A 20 -18.438 -11.473 -6.300 1.00 0.00 C
156
+ ATOM 155 CD1 LEU A 20 -19.227 -10.520 -5.409 1.00 0.00 C
157
+ ATOM 156 CD2 LEU A 20 -19.289 -12.676 -6.694 1.00 0.00 C
158
+ ATOM 157 N ALA A 21 -14.878 -10.718 -7.142 1.00 0.00 N
159
+ ATOM 158 CA ALA A 21 -13.720 -11.269 -6.446 1.00 0.00 C
160
+ ATOM 159 C ALA A 21 -12.534 -11.430 -7.394 1.00 0.00 C
161
+ ATOM 160 CB ALA A 21 -14.071 -12.610 -5.805 1.00 0.00 C
162
+ ATOM 161 O ALA A 21 -12.714 -11.529 -8.610 1.00 0.00 O
163
+ ATOM 162 N MET A 22 -11.325 -11.449 -6.806 1.00 0.00 N
164
+ ATOM 163 CA MET A 22 -10.086 -11.739 -7.523 1.00 0.00 C
165
+ ATOM 164 C MET A 22 -9.171 -12.629 -6.687 1.00 0.00 C
166
+ ATOM 165 CB MET A 22 -9.361 -10.444 -7.891 1.00 0.00 C
167
+ ATOM 166 O MET A 22 -9.286 -12.670 -5.461 1.00 0.00 O
168
+ ATOM 167 CG MET A 22 -10.202 -9.485 -8.717 1.00 0.00 C
169
+ ATOM 168 SD MET A 22 -9.316 -7.924 -9.100 1.00 0.00 S
170
+ ATOM 169 CE MET A 22 -10.705 -6.896 -9.654 1.00 0.00 C
171
+ ATOM 170 N ALA A 23 -8.323 -13.357 -7.419 1.00 0.00 N
172
+ ATOM 171 CA ALA A 23 -7.328 -14.213 -6.778 1.00 0.00 C
173
+ ATOM 172 C ALA A 23 -6.025 -14.230 -7.573 1.00 0.00 C
174
+ ATOM 173 CB ALA A 23 -7.870 -15.631 -6.620 1.00 0.00 C
175
+ ATOM 174 O ALA A 23 -6.024 -13.987 -8.781 1.00 0.00 O
176
+ ATOM 175 N ALA A 24 -4.931 -14.435 -6.795 1.00 0.00 N
177
+ ATOM 176 CA ALA A 24 -3.637 -14.524 -7.468 1.00 0.00 C
178
+ ATOM 177 C ALA A 24 -2.696 -15.468 -6.725 1.00 0.00 C
179
+ ATOM 178 CB ALA A 24 -3.007 -13.139 -7.593 1.00 0.00 C
180
+ ATOM 179 O ALA A 24 -2.884 -15.733 -5.535 1.00 0.00 O
181
+ ATOM 180 N SER A 25 -1.734 -15.948 -7.530 1.00 0.00 N
182
+ ATOM 181 CA SER A 25 -0.727 -16.825 -6.940 1.00 0.00 C
183
+ ATOM 182 C SER A 25 0.280 -16.033 -6.113 1.00 0.00 C
184
+ ATOM 183 CB SER A 25 0.002 -17.613 -8.028 1.00 0.00 C
185
+ ATOM 184 O SER A 25 0.969 -16.593 -5.258 1.00 0.00 O
186
+ ATOM 185 OG SER A 25 0.571 -16.738 -8.987 1.00 0.00 O
187
+ ATOM 186 N ASP A 26 0.323 -14.727 -6.416 1.00 0.00 N
188
+ ATOM 187 CA ASP A 26 1.226 -13.795 -5.749 1.00 0.00 C
189
+ ATOM 188 C ASP A 26 0.484 -12.538 -5.300 1.00 0.00 C
190
+ ATOM 189 CB ASP A 26 2.387 -13.419 -6.670 1.00 0.00 C
191
+ ATOM 190 O ASP A 26 -0.190 -11.888 -6.104 1.00 0.00 O
192
+ ATOM 191 CG ASP A 26 3.499 -12.675 -5.951 1.00 0.00 C
193
+ ATOM 192 OD1 ASP A 26 3.201 -11.814 -5.095 1.00 0.00 O
194
+ ATOM 193 OD2 ASP A 26 4.682 -12.949 -6.246 1.00 0.00 O
195
+ ATOM 194 N ILE A 27 0.624 -12.206 -4.062 1.00 0.00 N
196
+ ATOM 195 CA ILE A 27 -0.123 -11.104 -3.464 1.00 0.00 C
197
+ ATOM 196 C ILE A 27 0.307 -9.785 -4.100 1.00 0.00 C
198
+ ATOM 197 CB ILE A 27 0.077 -11.052 -1.933 1.00 0.00 C
199
+ ATOM 198 O ILE A 27 -0.470 -8.829 -4.145 1.00 0.00 O
200
+ ATOM 199 CG1 ILE A 27 -0.867 -10.018 -1.307 1.00 0.00 C
201
+ ATOM 200 CG2 ILE A 27 1.537 -10.739 -1.589 1.00 0.00 C
202
+ ATOM 201 CD1 ILE A 27 -2.341 -10.384 -1.410 1.00 0.00 C
203
+ ATOM 202 N SER A 28 1.509 -9.758 -4.569 1.00 0.00 N
204
+ ATOM 203 CA SER A 28 2.026 -8.520 -5.143 1.00 0.00 C
205
+ ATOM 204 C SER A 28 1.256 -8.130 -6.400 1.00 0.00 C
206
+ ATOM 205 CB SER A 28 3.514 -8.660 -5.468 1.00 0.00 C
207
+ ATOM 206 O SER A 28 1.322 -6.981 -6.843 1.00 0.00 O
208
+ ATOM 207 OG SER A 28 3.714 -9.588 -6.521 1.00 0.00 O
209
+ ATOM 208 N LEU A 29 0.468 -9.042 -6.905 1.00 0.00 N
210
+ ATOM 209 CA LEU A 29 -0.290 -8.800 -8.128 1.00 0.00 C
211
+ ATOM 210 C LEU A 29 -1.613 -8.107 -7.821 1.00 0.00 C
212
+ ATOM 211 CB LEU A 29 -0.549 -10.116 -8.866 1.00 0.00 C
213
+ ATOM 212 O LEU A 29 -2.248 -7.548 -8.717 1.00 0.00 O
214
+ ATOM 213 CG LEU A 29 0.684 -10.851 -9.394 1.00 0.00 C
215
+ ATOM 214 CD1 LEU A 29 0.301 -12.242 -9.890 1.00 0.00 C
216
+ ATOM 215 CD2 LEU A 29 1.352 -10.048 -10.506 1.00 0.00 C
217
+ ATOM 216 N LEU A 30 -2.019 -8.097 -6.451 1.00 0.00 N
218
+ ATOM 217 CA LEU A 30 -3.367 -7.632 -6.151 1.00 0.00 C
219
+ ATOM 218 C LEU A 30 -3.362 -6.682 -4.958 1.00 0.00 C
220
+ ATOM 219 CB LEU A 30 -4.294 -8.817 -5.870 1.00 0.00 C
221
+ ATOM 220 O LEU A 30 -4.333 -5.956 -4.732 1.00 0.00 O
222
+ ATOM 221 CG LEU A 30 -4.538 -9.779 -7.035 1.00 0.00 C
223
+ ATOM 222 CD1 LEU A 30 -5.458 -10.913 -6.602 1.00 0.00 C
224
+ ATOM 223 CD2 LEU A 30 -5.123 -9.034 -8.230 1.00 0.00 C
225
+ ATOM 224 N ASP A 31 -2.341 -6.692 -4.154 1.00 0.00 N
226
+ ATOM 225 CA ASP A 31 -2.376 -6.129 -2.807 1.00 0.00 C
227
+ ATOM 226 C ASP A 31 -2.580 -4.617 -2.850 1.00 0.00 C
228
+ ATOM 227 CB ASP A 31 -1.090 -6.466 -2.051 1.00 0.00 C
229
+ ATOM 228 O ASP A 31 -3.396 -4.074 -2.102 1.00 0.00 O
230
+ ATOM 229 CG ASP A 31 -1.206 -6.240 -0.554 1.00 0.00 C
231
+ ATOM 230 OD1 ASP A 31 -2.336 -6.242 -0.022 1.00 0.00 O
232
+ ATOM 231 OD2 ASP A 31 -0.156 -6.053 0.100 1.00 0.00 O
233
+ ATOM 232 N ALA A 32 -1.893 -3.912 -3.683 1.00 0.00 N
234
+ ATOM 233 CA ALA A 32 -2.008 -2.457 -3.752 1.00 0.00 C
235
+ ATOM 234 C ALA A 32 -3.100 -2.040 -4.733 1.00 0.00 C
236
+ ATOM 235 CB ALA A 32 -0.672 -1.836 -4.152 1.00 0.00 C
237
+ ATOM 236 O ALA A 32 -3.361 -2.737 -5.715 1.00 0.00 O
238
+ ATOM 237 N GLN A 33 -3.741 -0.869 -4.415 1.00 0.00 N
239
+ ATOM 238 CA GLN A 33 -4.764 -0.331 -5.305 1.00 0.00 C
240
+ ATOM 239 C GLN A 33 -4.211 -0.111 -6.709 1.00 0.00 C
241
+ ATOM 240 CB GLN A 33 -5.323 0.980 -4.750 1.00 0.00 C
242
+ ATOM 241 O GLN A 33 -4.936 -0.249 -7.698 1.00 0.00 O
243
+ ATOM 242 CG GLN A 33 -6.171 0.806 -3.497 1.00 0.00 C
244
+ ATOM 243 CD GLN A 33 -6.718 2.120 -2.971 1.00 0.00 C
245
+ ATOM 244 NE2 GLN A 33 -7.667 2.039 -2.045 1.00 0.00 N
246
+ ATOM 245 OE1 GLN A 33 -6.290 3.199 -3.394 1.00 0.00 O
247
+ ATOM 246 N SER A 34 -2.934 0.162 -6.758 1.00 0.00 N
248
+ ATOM 247 CA SER A 34 -2.302 0.471 -8.037 1.00 0.00 C
249
+ ATOM 248 C SER A 34 -1.650 -0.766 -8.644 1.00 0.00 C
250
+ ATOM 249 CB SER A 34 -1.259 1.576 -7.867 1.00 0.00 C
251
+ ATOM 250 O SER A 34 -0.941 -0.671 -9.648 1.00 0.00 O
252
+ ATOM 251 OG SER A 34 -0.238 1.169 -6.972 1.00 0.00 O
253
+ ATOM 252 N ALA A 35 -1.918 -1.956 -7.990 1.00 0.00 N
254
+ ATOM 253 CA ALA A 35 -1.309 -3.182 -8.501 1.00 0.00 C
255
+ ATOM 254 C ALA A 35 -1.750 -3.456 -9.935 1.00 0.00 C
256
+ ATOM 255 CB ALA A 35 -1.662 -4.366 -7.603 1.00 0.00 C
257
+ ATOM 256 O ALA A 35 -2.878 -3.137 -10.316 1.00 0.00 O
258
+ ATOM 257 N PRO A 36 -0.909 -4.068 -10.731 1.00 0.00 N
259
+ ATOM 258 CA PRO A 36 -1.141 -4.162 -12.175 1.00 0.00 C
260
+ ATOM 259 C PRO A 36 -2.422 -4.918 -12.519 1.00 0.00 C
261
+ ATOM 260 CB PRO A 36 0.092 -4.916 -12.681 1.00 0.00 C
262
+ ATOM 261 O PRO A 36 -3.053 -4.637 -13.541 1.00 0.00 O
263
+ ATOM 262 CG PRO A 36 0.697 -5.523 -11.458 1.00 0.00 C
264
+ ATOM 263 CD PRO A 36 0.377 -4.647 -10.281 1.00 0.00 C
265
+ ATOM 264 N TYR A 37 -2.790 -5.881 -11.640 1.00 0.00 N
266
+ ATOM 265 CA TYR A 37 -3.941 -6.696 -12.013 1.00 0.00 C
267
+ ATOM 266 C TYR A 37 -5.136 -6.396 -11.116 1.00 0.00 C
268
+ ATOM 267 CB TYR A 37 -3.593 -8.186 -11.938 1.00 0.00 C
269
+ ATOM 268 O TYR A 37 -6.141 -7.111 -11.149 1.00 0.00 O
270
+ ATOM 269 CG TYR A 37 -2.537 -8.613 -12.927 1.00 0.00 C
271
+ ATOM 270 CD1 TYR A 37 -2.430 -7.995 -14.171 1.00 0.00 C
272
+ ATOM 271 CD2 TYR A 37 -1.646 -9.636 -12.622 1.00 0.00 C
273
+ ATOM 272 CE1 TYR A 37 -1.460 -8.387 -15.088 1.00 0.00 C
274
+ ATOM 273 CE2 TYR A 37 -0.672 -10.036 -13.531 1.00 0.00 C
275
+ ATOM 274 OH TYR A 37 0.375 -9.798 -15.663 1.00 0.00 O
276
+ ATOM 275 CZ TYR A 37 -0.586 -9.406 -14.760 1.00 0.00 C
277
+ ATOM 276 N ARG A 38 -4.983 -5.387 -10.340 1.00 0.00 N
278
+ ATOM 277 CA ARG A 38 -6.145 -4.896 -9.607 1.00 0.00 C
279
+ ATOM 278 C ARG A 38 -6.959 -3.925 -10.458 1.00 0.00 C
280
+ ATOM 279 CB ARG A 38 -5.713 -4.216 -8.306 1.00 0.00 C
281
+ ATOM 280 O ARG A 38 -6.746 -2.712 -10.399 1.00 0.00 O
282
+ ATOM 281 CG ARG A 38 -6.850 -3.991 -7.321 1.00 0.00 C
283
+ ATOM 282 CD ARG A 38 -6.332 -3.660 -5.929 1.00 0.00 C
284
+ ATOM 283 NE ARG A 38 -7.424 -3.465 -4.979 1.00 0.00 N
285
+ ATOM 284 NH1 ARG A 38 -7.340 -5.611 -4.126 1.00 0.00 N
286
+ ATOM 285 NH2 ARG A 38 -8.877 -4.112 -3.323 1.00 0.00 N
287
+ ATOM 286 CZ ARG A 38 -7.878 -4.397 -4.145 1.00 0.00 C
288
+ ATOM 287 N VAL A 39 -7.913 -4.525 -11.160 1.00 0.00 N
289
+ ATOM 288 CA VAL A 39 -8.720 -3.740 -12.088 1.00 0.00 C
290
+ ATOM 289 C VAL A 39 -10.197 -4.075 -11.899 1.00 0.00 C
291
+ ATOM 290 CB VAL A 39 -8.301 -3.990 -13.554 1.00 0.00 C
292
+ ATOM 291 O VAL A 39 -10.538 -5.144 -11.390 1.00 0.00 O
293
+ ATOM 292 CG1 VAL A 39 -6.851 -3.564 -13.783 1.00 0.00 C
294
+ ATOM 293 CG2 VAL A 39 -8.493 -5.461 -13.920 1.00 0.00 C
295
+ ATOM 294 N TYR A 40 -10.994 -3.159 -12.325 1.00 0.00 N
296
+ ATOM 295 CA TYR A 40 -12.440 -3.335 -12.250 1.00 0.00 C
297
+ ATOM 296 C TYR A 40 -13.070 -3.279 -13.637 1.00 0.00 C
298
+ ATOM 297 CB TYR A 40 -13.067 -2.266 -11.349 1.00 0.00 C
299
+ ATOM 298 O TYR A 40 -13.101 -2.219 -14.269 1.00 0.00 O
300
+ ATOM 299 CG TYR A 40 -12.491 -2.235 -9.955 1.00 0.00 C
301
+ ATOM 300 CD1 TYR A 40 -12.963 -3.095 -8.966 1.00 0.00 C
302
+ ATOM 301 CD2 TYR A 40 -11.475 -1.344 -9.622 1.00 0.00 C
303
+ ATOM 302 CE1 TYR A 40 -12.437 -3.068 -7.679 1.00 0.00 C
304
+ ATOM 303 CE2 TYR A 40 -10.942 -1.308 -8.339 1.00 0.00 C
305
+ ATOM 304 OH TYR A 40 -10.904 -2.142 -6.102 1.00 0.00 O
306
+ ATOM 305 CZ TYR A 40 -11.428 -2.173 -7.374 1.00 0.00 C
307
+ ATOM 306 N VAL A 41 -13.558 -4.382 -13.987 1.00 0.00 N
308
+ ATOM 307 CA VAL A 41 -14.138 -4.478 -15.323 1.00 0.00 C
309
+ ATOM 308 C VAL A 41 -15.519 -3.826 -15.336 1.00 0.00 C
310
+ ATOM 309 CB VAL A 41 -14.239 -5.947 -15.794 1.00 0.00 C
311
+ ATOM 310 O VAL A 41 -16.325 -4.046 -14.429 1.00 0.00 O
312
+ ATOM 311 CG1 VAL A 41 -15.017 -6.041 -17.106 1.00 0.00 C
313
+ ATOM 312 CG2 VAL A 41 -12.846 -6.553 -15.951 1.00 0.00 C
314
+ ATOM 313 N GLU A 42 -15.748 -3.041 -16.344 1.00 0.00 N
315
+ ATOM 314 CA GLU A 42 -17.026 -2.346 -16.464 1.00 0.00 C
316
+ ATOM 315 C GLU A 42 -17.870 -2.935 -17.591 1.00 0.00 C
317
+ ATOM 316 CB GLU A 42 -16.805 -0.850 -16.700 1.00 0.00 C
318
+ ATOM 317 O GLU A 42 -19.085 -3.091 -17.447 1.00 0.00 O
319
+ ATOM 318 CG GLU A 42 -16.254 -0.111 -15.489 1.00 0.00 C
320
+ ATOM 319 CD GLU A 42 -16.134 1.389 -15.704 1.00 0.00 C
321
+ ATOM 320 OE1 GLU A 42 -15.822 2.118 -14.736 1.00 0.00 O
322
+ ATOM 321 OE2 GLU A 42 -16.355 1.839 -16.851 1.00 0.00 O
323
+ ATOM 322 N GLU A 43 -17.200 -3.214 -18.633 1.00 0.00 N
324
+ ATOM 323 CA GLU A 43 -17.958 -3.627 -19.810 1.00 0.00 C
325
+ ATOM 324 C GLU A 43 -17.106 -4.484 -20.742 1.00 0.00 C
326
+ ATOM 325 CB GLU A 43 -18.493 -2.405 -20.561 1.00 0.00 C
327
+ ATOM 326 O GLU A 43 -15.911 -4.230 -20.909 1.00 0.00 O
328
+ ATOM 327 CG GLU A 43 -19.515 -2.743 -21.637 1.00 0.00 C
329
+ ATOM 328 CD GLU A 43 -20.123 -1.515 -22.295 1.00 0.00 C
330
+ ATOM 329 OE1 GLU A 43 -21.091 -1.660 -23.075 1.00 0.00 O
331
+ ATOM 330 OE2 GLU A 43 -19.625 -0.398 -22.029 1.00 0.00 O
332
+ ATOM 331 N LEU A 44 -17.779 -5.432 -21.338 1.00 0.00 N
333
+ ATOM 332 CA LEU A 44 -17.186 -6.220 -22.413 1.00 0.00 C
334
+ ATOM 333 C LEU A 44 -17.912 -5.974 -23.731 1.00 0.00 C
335
+ ATOM 334 CB LEU A 44 -17.222 -7.711 -22.067 1.00 0.00 C
336
+ ATOM 335 O LEU A 44 -19.145 -5.945 -23.769 1.00 0.00 O
337
+ ATOM 336 CG LEU A 44 -16.536 -8.121 -20.763 1.00 0.00 C
338
+ ATOM 337 CD1 LEU A 44 -16.702 -9.618 -20.524 1.00 0.00 C
339
+ ATOM 338 CD2 LEU A 44 -15.061 -7.740 -20.791 1.00 0.00 C
340
+ ATOM 339 N LYS A 45 -17.110 -5.800 -24.813 1.00 0.00 N
341
+ ATOM 340 CA LYS A 45 -17.670 -5.540 -26.136 1.00 0.00 C
342
+ ATOM 341 C LYS A 45 -16.981 -6.390 -27.200 1.00 0.00 C
343
+ ATOM 342 CB LYS A 45 -17.548 -4.057 -26.489 1.00 0.00 C
344
+ ATOM 343 O LYS A 45 -15.871 -6.073 -27.632 1.00 0.00 O
345
+ ATOM 344 CG LYS A 45 -18.393 -3.142 -25.617 1.00 0.00 C
346
+ ATOM 345 CD LYS A 45 -18.238 -1.682 -26.025 1.00 0.00 C
347
+ ATOM 346 CE LYS A 45 -19.019 -0.756 -25.102 1.00 0.00 C
348
+ ATOM 347 NZ LYS A 45 -18.769 0.682 -25.417 1.00 0.00 N
349
+ ATOM 348 N PRO A 46 -17.694 -7.395 -27.711 1.00 0.00 N
350
+ ATOM 349 CA PRO A 46 -17.131 -8.167 -28.822 1.00 0.00 C
351
+ ATOM 350 C PRO A 46 -17.180 -7.413 -30.149 1.00 0.00 C
352
+ ATOM 351 CB PRO A 46 -18.017 -9.414 -28.870 1.00 0.00 C
353
+ ATOM 352 O PRO A 46 -18.259 -7.022 -30.602 1.00 0.00 O
354
+ ATOM 353 CG PRO A 46 -18.743 -9.417 -27.563 1.00 0.00 C
355
+ ATOM 354 CD PRO A 46 -18.893 -7.997 -27.098 1.00 0.00 C
356
+ ATOM 355 N THR A 47 -16.105 -6.994 -30.755 1.00 0.00 N
357
+ ATOM 356 CA THR A 47 -15.979 -6.277 -32.019 1.00 0.00 C
358
+ ATOM 357 C THR A 47 -15.115 -7.061 -33.001 1.00 0.00 C
359
+ ATOM 358 CB THR A 47 -15.379 -4.875 -31.808 1.00 0.00 C
360
+ ATOM 359 O THR A 47 -14.464 -6.474 -33.869 1.00 0.00 O
361
+ ATOM 360 CG2 THR A 47 -16.266 -4.028 -30.901 1.00 0.00 C
362
+ ATOM 361 OG1 THR A 47 -14.084 -5.001 -31.209 1.00 0.00 O
363
+ ATOM 362 N GLY A 48 -15.062 -8.519 -33.088 1.00 0.00 N
364
+ ATOM 363 CA GLY A 48 -14.059 -9.394 -33.673 1.00 0.00 C
365
+ ATOM 364 C GLY A 48 -13.075 -9.940 -32.656 1.00 0.00 C
366
+ ATOM 365 O GLY A 48 -12.915 -11.156 -32.530 1.00 0.00 O
367
+ ATOM 366 N ASP A 49 -12.457 -8.850 -31.935 1.00 0.00 N
368
+ ATOM 367 CA ASP A 49 -11.749 -9.089 -30.680 1.00 0.00 C
369
+ ATOM 368 C ASP A 49 -12.639 -8.776 -29.480 1.00 0.00 C
370
+ ATOM 369 CB ASP A 49 -10.469 -8.252 -30.619 1.00 0.00 C
371
+ ATOM 370 O ASP A 49 -13.858 -8.658 -29.618 1.00 0.00 O
372
+ ATOM 371 CG ASP A 49 -9.445 -8.658 -31.665 1.00 0.00 C
373
+ ATOM 372 OD1 ASP A 49 -9.412 -9.843 -32.059 1.00 0.00 O
374
+ ATOM 373 OD2 ASP A 49 -8.663 -7.784 -32.098 1.00 0.00 O
375
+ ATOM 374 N LEU A 50 -12.092 -8.763 -28.338 1.00 0.00 N
376
+ ATOM 375 CA LEU A 50 -12.836 -8.402 -27.136 1.00 0.00 C
377
+ ATOM 376 C LEU A 50 -12.299 -7.108 -26.533 1.00 0.00 C
378
+ ATOM 377 CB LEU A 50 -12.767 -9.528 -26.102 1.00 0.00 C
379
+ ATOM 378 O LEU A 50 -11.197 -7.087 -25.980 1.00 0.00 O
380
+ ATOM 379 CG LEU A 50 -13.553 -9.310 -24.808 1.00 0.00 C
381
+ ATOM 380 CD1 LEU A 50 -15.044 -9.199 -25.106 1.00 0.00 C
382
+ ATOM 381 CD2 LEU A 50 -13.282 -10.441 -23.821 1.00 0.00 C
383
+ ATOM 382 N GLU A 51 -13.047 -6.145 -26.679 1.00 0.00 N
384
+ ATOM 383 CA GLU A 51 -12.744 -4.878 -26.021 1.00 0.00 C
385
+ ATOM 384 C GLU A 51 -13.205 -4.888 -24.566 1.00 0.00 C
386
+ ATOM 385 CB GLU A 51 -13.395 -3.713 -26.769 1.00 0.00 C
387
+ ATOM 386 O GLU A 51 -14.347 -5.246 -24.273 1.00 0.00 O
388
+ ATOM 387 CG GLU A 51 -13.026 -2.343 -26.218 1.00 0.00 C
389
+ ATOM 388 CD GLU A 51 -13.653 -1.196 -26.992 1.00 0.00 C
390
+ ATOM 389 OE1 GLU A 51 -14.312 -0.331 -26.370 1.00 0.00 O
391
+ ATOM 390 OE2 GLU A 51 -13.487 -1.161 -28.232 1.00 0.00 O
392
+ ATOM 391 N ILE A 52 -12.353 -4.488 -23.680 1.00 0.00 N
393
+ ATOM 392 CA ILE A 52 -12.642 -4.464 -22.250 1.00 0.00 C
394
+ ATOM 393 C ILE A 52 -12.508 -3.037 -21.721 1.00 0.00 C
395
+ ATOM 394 CB ILE A 52 -11.710 -5.416 -21.468 1.00 0.00 C
396
+ ATOM 395 O ILE A 52 -11.452 -2.415 -21.859 1.00 0.00 O
397
+ ATOM 396 CG1 ILE A 52 -11.763 -6.826 -22.067 1.00 0.00 C
398
+ ATOM 397 CG2 ILE A 52 -12.082 -5.437 -19.983 1.00 0.00 C
399
+ ATOM 398 CD1 ILE A 52 -10.755 -7.794 -21.462 1.00 0.00 C
400
+ ATOM 399 N LEU A 53 -13.581 -2.571 -21.204 1.00 0.00 N
401
+ ATOM 400 CA LEU A 53 -13.557 -1.304 -20.481 1.00 0.00 C
402
+ ATOM 401 C LEU A 53 -13.408 -1.538 -18.981 1.00 0.00 C
403
+ ATOM 402 CB LEU A 53 -14.831 -0.503 -20.760 1.00 0.00 C
404
+ ATOM 403 O LEU A 53 -14.220 -2.240 -18.374 1.00 0.00 O
405
+ ATOM 404 CG LEU A 53 -14.858 0.933 -20.234 1.00 0.00 C
406
+ ATOM 405 CD1 LEU A 53 -13.807 1.779 -20.945 1.00 0.00 C
407
+ ATOM 406 CD2 LEU A 53 -16.246 1.540 -20.406 1.00 0.00 C
408
+ ATOM 407 N LEU A 54 -12.323 -0.920 -18.466 1.00 0.00 N
409
+ ATOM 408 CA LEU A 54 -12.107 -1.146 -17.042 1.00 0.00 C
410
+ ATOM 409 C LEU A 54 -11.611 0.124 -16.358 1.00 0.00 C
411
+ ATOM 410 CB LEU A 54 -11.102 -2.280 -16.825 1.00 0.00 C
412
+ ATOM 411 O LEU A 54 -11.339 1.126 -17.023 1.00 0.00 O
413
+ ATOM 412 CG LEU A 54 -9.772 -2.159 -17.570 1.00 0.00 C
414
+ ATOM 413 CD1 LEU A 54 -8.842 -1.193 -16.841 1.00 0.00 C
415
+ ATOM 414 CD2 LEU A 54 -9.116 -3.528 -17.722 1.00 0.00 C
416
+ ATOM 415 N GLN A 55 -11.721 0.052 -14.986 1.00 0.00 N
417
+ ATOM 416 CA GLN A 55 -11.147 1.101 -14.151 1.00 0.00 C
418
+ ATOM 417 C GLN A 55 -9.986 0.568 -13.316 1.00 0.00 C
419
+ ATOM 418 CB GLN A 55 -12.215 1.705 -13.238 1.00 0.00 C
420
+ ATOM 419 O GLN A 55 -10.023 -0.572 -12.849 1.00 0.00 O
421
+ ATOM 420 CG GLN A 55 -13.292 2.484 -13.982 1.00 0.00 C
422
+ ATOM 421 CD GLN A 55 -14.306 3.120 -13.050 1.00 0.00 C
423
+ ATOM 422 NE2 GLN A 55 -15.215 3.908 -13.614 1.00 0.00 N
424
+ ATOM 423 OE1 GLN A 55 -14.274 2.903 -11.835 1.00 0.00 O
425
+ ATOM 424 N LYS A 56 -9.031 1.461 -13.178 1.00 0.00 N
426
+ ATOM 425 CA LYS A 56 -7.902 1.117 -12.319 1.00 0.00 C
427
+ ATOM 426 C LYS A 56 -7.345 2.354 -11.620 1.00 0.00 C
428
+ ATOM 427 CB LYS A 56 -6.800 0.433 -13.129 1.00 0.00 C
429
+ ATOM 428 O LYS A 56 -7.590 3.482 -12.054 1.00 0.00 O
430
+ ATOM 429 CG LYS A 56 -6.106 1.349 -14.126 1.00 0.00 C
431
+ ATOM 430 CD LYS A 56 -4.936 0.649 -14.808 1.00 0.00 C
432
+ ATOM 431 CE LYS A 56 -3.713 0.593 -13.902 1.00 0.00 C
433
+ ATOM 432 NZ LYS A 56 -2.627 -0.247 -14.490 1.00 0.00 N
434
+ ATOM 433 N TRP A 57 -6.647 2.040 -10.558 1.00 0.00 N
435
+ ATOM 434 CA TRP A 57 -5.959 3.117 -9.853 1.00 0.00 C
436
+ ATOM 435 C TRP A 57 -4.651 3.475 -10.551 1.00 0.00 C
437
+ ATOM 436 CB TRP A 57 -5.685 2.720 -8.401 1.00 0.00 C
438
+ ATOM 437 O TRP A 57 -3.815 2.604 -10.802 1.00 0.00 O
439
+ ATOM 438 CG TRP A 57 -6.848 2.938 -7.480 1.00 0.00 C
440
+ ATOM 439 CD1 TRP A 57 -7.734 1.997 -7.035 1.00 0.00 C
441
+ ATOM 440 CD2 TRP A 57 -7.253 4.180 -6.895 1.00 0.00 C
442
+ ATOM 441 CE2 TRP A 57 -8.394 3.917 -6.105 1.00 0.00 C
443
+ ATOM 442 CE3 TRP A 57 -6.762 5.490 -6.961 1.00 0.00 C
444
+ ATOM 443 NE1 TRP A 57 -8.667 2.579 -6.208 1.00 0.00 N
445
+ ATOM 444 CH2 TRP A 57 -8.549 6.191 -5.469 1.00 0.00 C
446
+ ATOM 445 CZ2 TRP A 57 -9.051 4.918 -5.385 1.00 0.00 C
447
+ ATOM 446 CZ3 TRP A 57 -7.416 6.485 -6.245 1.00 0.00 C
448
+ ATOM 447 N GLU A 58 -4.591 4.819 -10.920 1.00 0.00 N
449
+ ATOM 448 CA GLU A 58 -3.392 5.361 -11.551 1.00 0.00 C
450
+ ATOM 449 C GLU A 58 -3.106 6.780 -11.068 1.00 0.00 C
451
+ ATOM 450 CB GLU A 58 -3.531 5.343 -13.075 1.00 0.00 C
452
+ ATOM 451 O GLU A 58 -3.984 7.645 -11.114 1.00 0.00 O
453
+ ATOM 452 CG GLU A 58 -2.208 5.484 -13.815 1.00 0.00 C
454
+ ATOM 453 CD GLU A 58 -2.330 5.243 -15.312 1.00 0.00 C
455
+ ATOM 454 OE1 GLU A 58 -1.458 4.553 -15.888 1.00 0.00 O
456
+ ATOM 455 OE2 GLU A 58 -3.305 5.748 -15.912 1.00 0.00 O
457
+ ATOM 456 N ASN A 59 -1.791 6.947 -10.601 1.00 0.00 N
458
+ ATOM 457 CA ASN A 59 -1.340 8.252 -10.132 1.00 0.00 C
459
+ ATOM 458 C ASN A 59 -2.270 8.816 -9.060 1.00 0.00 C
460
+ ATOM 459 CB ASN A 59 -1.223 9.232 -11.302 1.00 0.00 C
461
+ ATOM 460 O ASN A 59 -2.666 9.981 -9.127 1.00 0.00 O
462
+ ATOM 461 CG ASN A 59 -0.149 8.831 -12.293 1.00 0.00 C
463
+ ATOM 462 ND2 ASN A 59 -0.365 9.152 -13.563 1.00 0.00 N
464
+ ATOM 463 OD1 ASN A 59 0.866 8.235 -11.922 1.00 0.00 O
465
+ ATOM 464 N GLY A 60 -2.809 7.914 -8.240 1.00 0.00 N
466
+ ATOM 465 CA GLY A 60 -3.603 8.326 -7.094 1.00 0.00 C
467
+ ATOM 466 C GLY A 60 -5.066 8.540 -7.427 1.00 0.00 C
468
+ ATOM 467 O GLY A 60 -5.849 8.958 -6.571 1.00 0.00 O
469
+ ATOM 468 N GLU A 61 -5.418 8.356 -8.709 1.00 0.00 N
470
+ ATOM 469 CA GLU A 61 -6.804 8.563 -9.118 1.00 0.00 C
471
+ ATOM 470 C GLU A 61 -7.347 7.345 -9.862 1.00 0.00 C
472
+ ATOM 471 CB GLU A 61 -6.926 9.812 -9.995 1.00 0.00 C
473
+ ATOM 472 O GLU A 61 -6.578 6.531 -10.375 1.00 0.00 O
474
+ ATOM 473 CG GLU A 61 -6.490 11.095 -9.300 1.00 0.00 C
475
+ ATOM 474 CD GLU A 61 -6.636 12.329 -10.174 1.00 0.00 C
476
+ ATOM 475 OE1 GLU A 61 -6.617 13.460 -9.638 1.00 0.00 O
477
+ ATOM 476 OE2 GLU A 61 -6.773 12.165 -11.408 1.00 0.00 O
478
+ ATOM 477 N CYS A 62 -8.672 7.333 -9.859 1.00 0.00 N
479
+ ATOM 478 CA CYS A 62 -9.337 6.306 -10.653 1.00 0.00 C
480
+ ATOM 479 C CYS A 62 -9.353 6.682 -12.130 1.00 0.00 C
481
+ ATOM 480 CB CYS A 62 -10.768 6.090 -10.158 1.00 0.00 C
482
+ ATOM 481 O CYS A 62 -9.818 7.764 -12.494 1.00 0.00 O
483
+ ATOM 482 SG CYS A 62 -11.544 4.594 -10.809 1.00 0.00 S
484
+ ATOM 483 N ALA A 63 -8.811 5.819 -12.863 1.00 0.00 N
485
+ ATOM 484 CA ALA A 63 -8.728 6.098 -14.294 1.00 0.00 C
486
+ ATOM 485 C ALA A 63 -9.396 4.993 -15.108 1.00 0.00 C
487
+ ATOM 486 CB ALA A 63 -7.272 6.265 -14.721 1.00 0.00 C
488
+ ATOM 487 O ALA A 63 -9.246 3.809 -14.798 1.00 0.00 O
489
+ ATOM 488 N GLN A 64 -10.163 5.422 -16.088 1.00 0.00 N
490
+ ATOM 489 CA GLN A 64 -10.778 4.475 -17.013 1.00 0.00 C
491
+ ATOM 490 C GLN A 64 -9.812 4.092 -18.130 1.00 0.00 C
492
+ ATOM 491 CB GLN A 64 -12.061 5.059 -17.607 1.00 0.00 C
493
+ ATOM 492 O GLN A 64 -9.105 4.947 -18.668 1.00 0.00 O
494
+ ATOM 493 CG GLN A 64 -12.884 4.055 -18.402 1.00 0.00 C
495
+ ATOM 494 CD GLN A 64 -14.183 4.641 -18.922 1.00 0.00 C
496
+ ATOM 495 NE2 GLN A 64 -15.285 4.331 -18.247 1.00 0.00 N
497
+ ATOM 496 OE1 GLN A 64 -14.196 5.367 -19.921 1.00 0.00 O
498
+ ATOM 497 N LYS A 65 -9.848 2.805 -18.425 1.00 0.00 N
499
+ ATOM 498 CA LYS A 65 -8.976 2.304 -19.483 1.00 0.00 C
500
+ ATOM 499 C LYS A 65 -9.718 1.328 -20.391 1.00 0.00 C
501
+ ATOM 500 CB LYS A 65 -7.740 1.629 -18.887 1.00 0.00 C
502
+ ATOM 501 O LYS A 65 -10.574 0.570 -19.930 1.00 0.00 O
503
+ ATOM 502 CG LYS A 65 -6.535 1.612 -19.816 1.00 0.00 C
504
+ ATOM 503 CD LYS A 65 -5.291 1.090 -19.109 1.00 0.00 C
505
+ ATOM 504 CE LYS A 65 -4.095 1.031 -20.049 1.00 0.00 C
506
+ ATOM 505 NZ LYS A 65 -2.885 0.478 -19.371 1.00 0.00 N
507
+ ATOM 506 N LYS A 66 -9.329 1.427 -21.671 1.00 0.00 N
508
+ ATOM 507 CA LYS A 66 -9.811 0.467 -22.661 1.00 0.00 C
509
+ ATOM 508 C LYS A 66 -8.682 -0.441 -23.140 1.00 0.00 C
510
+ ATOM 509 CB LYS A 66 -10.441 1.193 -23.850 1.00 0.00 C
511
+ ATOM 510 O LYS A 66 -7.623 0.040 -23.551 1.00 0.00 O
512
+ ATOM 511 CG LYS A 66 -11.251 0.290 -24.768 1.00 0.00 C
513
+ ATOM 512 CD LYS A 66 -11.897 1.078 -25.899 1.00 0.00 C
514
+ ATOM 513 CE LYS A 66 -12.824 0.203 -26.734 1.00 0.00 C
515
+ ATOM 514 NZ LYS A 66 -13.464 0.973 -27.842 1.00 0.00 N
516
+ ATOM 515 N ILE A 67 -8.910 -1.717 -23.024 1.00 0.00 N
517
+ ATOM 516 CA ILE A 67 -7.904 -2.651 -23.518 1.00 0.00 C
518
+ ATOM 517 C ILE A 67 -8.545 -3.624 -24.506 1.00 0.00 C
519
+ ATOM 518 CB ILE A 67 -7.235 -3.427 -22.361 1.00 0.00 C
520
+ ATOM 519 O ILE A 67 -9.758 -3.845 -24.472 1.00 0.00 O
521
+ ATOM 520 CG1 ILE A 67 -8.285 -4.212 -21.567 1.00 0.00 C
522
+ ATOM 521 CG2 ILE A 67 -6.460 -2.471 -21.449 1.00 0.00 C
523
+ ATOM 522 CD1 ILE A 67 -7.696 -5.164 -20.535 1.00 0.00 C
524
+ ATOM 523 N ILE A 68 -7.677 -4.099 -25.426 1.00 0.00 N
525
+ ATOM 524 CA ILE A 68 -8.164 -5.039 -26.431 1.00 0.00 C
526
+ ATOM 525 C ILE A 68 -7.574 -6.423 -26.172 1.00 0.00 C
527
+ ATOM 526 CB ILE A 68 -7.817 -4.566 -27.860 1.00 0.00 C
528
+ ATOM 527 O ILE A 68 -6.354 -6.576 -26.069 1.00 0.00 O
529
+ ATOM 528 CG1 ILE A 68 -8.423 -3.184 -28.129 1.00 0.00 C
530
+ ATOM 529 CG2 ILE A 68 -8.298 -5.585 -28.897 1.00 0.00 C
531
+ ATOM 530 CD1 ILE A 68 -9.946 -3.159 -28.096 1.00 0.00 C
532
+ ATOM 531 N ALA A 69 -8.384 -7.349 -26.007 1.00 0.00 N
533
+ ATOM 532 CA ALA A 69 -7.992 -8.755 -25.957 1.00 0.00 C
534
+ ATOM 533 C ALA A 69 -8.187 -9.428 -27.313 1.00 0.00 C
535
+ ATOM 534 CB ALA A 69 -8.787 -9.491 -24.881 1.00 0.00 C
536
+ ATOM 535 O ALA A 69 -9.320 -9.606 -27.767 1.00 0.00 O
537
+ ATOM 536 N GLU A 70 -7.125 -9.848 -27.897 1.00 0.00 N
538
+ ATOM 537 CA GLU A 70 -7.171 -10.419 -29.240 1.00 0.00 C
539
+ ATOM 538 C GLU A 70 -7.730 -11.839 -29.218 1.00 0.00 C
540
+ ATOM 539 CB GLU A 70 -5.778 -10.412 -29.876 1.00 0.00 C
541
+ ATOM 540 O GLU A 70 -7.288 -12.674 -28.426 1.00 0.00 O
542
+ ATOM 541 CG GLU A 70 -5.211 -9.018 -30.098 1.00 0.00 C
543
+ ATOM 542 CD GLU A 70 -3.795 -9.028 -30.652 1.00 0.00 C
544
+ ATOM 543 OE1 GLU A 70 -3.248 -7.939 -30.938 1.00 0.00 O
545
+ ATOM 544 OE2 GLU A 70 -3.229 -10.134 -30.803 1.00 0.00 O
546
+ ATOM 545 N LYS A 71 -8.602 -12.063 -30.093 1.00 0.00 N
547
+ ATOM 546 CA LYS A 71 -9.156 -13.409 -30.221 1.00 0.00 C
548
+ ATOM 547 C LYS A 71 -8.113 -14.383 -30.762 1.00 0.00 C
549
+ ATOM 548 CB LYS A 71 -10.386 -13.399 -31.130 1.00 0.00 C
550
+ ATOM 549 O LYS A 71 -7.330 -14.033 -31.647 1.00 0.00 O
551
+ ATOM 550 CG LYS A 71 -11.156 -14.711 -31.144 1.00 0.00 C
552
+ ATOM 551 CD LYS A 71 -12.395 -14.622 -32.024 1.00 0.00 C
553
+ ATOM 552 CE LYS A 71 -13.154 -15.942 -32.056 1.00 0.00 C
554
+ ATOM 553 NZ LYS A 71 -14.332 -15.882 -32.974 1.00 0.00 N
555
+ ATOM 554 N THR A 72 -8.172 -15.575 -30.280 1.00 0.00 N
556
+ ATOM 555 CA THR A 72 -7.329 -16.640 -30.809 1.00 0.00 C
557
+ ATOM 556 C THR A 72 -8.172 -17.698 -31.514 1.00 0.00 C
558
+ ATOM 557 CB THR A 72 -6.497 -17.300 -29.694 1.00 0.00 C
559
+ ATOM 558 O THR A 72 -9.387 -17.544 -31.646 1.00 0.00 O
560
+ ATOM 559 CG2 THR A 72 -5.830 -16.251 -28.811 1.00 0.00 C
561
+ ATOM 560 OG1 THR A 72 -7.354 -18.115 -28.886 1.00 0.00 O
562
+ ATOM 561 N LYS A 73 -7.521 -18.766 -32.010 1.00 0.00 N
563
+ ATOM 562 CA LYS A 73 -8.228 -19.868 -32.656 1.00 0.00 C
564
+ ATOM 563 C LYS A 73 -9.051 -20.661 -31.645 1.00 0.00 C
565
+ ATOM 564 CB LYS A 73 -7.243 -20.794 -33.372 1.00 0.00 C
566
+ ATOM 565 O LYS A 73 -10.039 -21.303 -32.007 1.00 0.00 O
567
+ ATOM 566 CG LYS A 73 -6.566 -20.162 -34.579 1.00 0.00 C
568
+ ATOM 567 CD LYS A 73 -5.662 -21.157 -35.296 1.00 0.00 C
569
+ ATOM 568 CE LYS A 73 -4.968 -20.519 -36.492 1.00 0.00 C
570
+ ATOM 569 NZ LYS A 73 -4.083 -21.492 -37.201 1.00 0.00 N
571
+ ATOM 570 N ILE A 74 -8.609 -20.588 -30.375 1.00 0.00 N
572
+ ATOM 571 CA ILE A 74 -9.342 -21.241 -29.297 1.00 0.00 C
573
+ ATOM 572 C ILE A 74 -10.388 -20.284 -28.729 1.00 0.00 C
574
+ ATOM 573 CB ILE A 74 -8.392 -21.721 -28.177 1.00 0.00 C
575
+ ATOM 574 O ILE A 74 -10.046 -19.220 -28.208 1.00 0.00 O
576
+ ATOM 575 CG1 ILE A 74 -7.277 -22.597 -28.760 1.00 0.00 C
577
+ ATOM 576 CG2 ILE A 74 -9.170 -22.475 -27.094 1.00 0.00 C
578
+ ATOM 577 CD1 ILE A 74 -6.176 -22.941 -27.767 1.00 0.00 C
579
+ ATOM 578 N PRO A 75 -11.647 -20.532 -28.737 1.00 0.00 N
580
+ ATOM 579 CA PRO A 75 -12.728 -19.594 -28.422 1.00 0.00 C
581
+ ATOM 580 C PRO A 75 -12.618 -19.019 -27.012 1.00 0.00 C
582
+ ATOM 581 CB PRO A 75 -13.990 -20.449 -28.567 1.00 0.00 C
583
+ ATOM 582 O PRO A 75 -13.010 -17.873 -26.776 1.00 0.00 O
584
+ ATOM 583 CG PRO A 75 -13.636 -21.483 -29.586 1.00 0.00 C
585
+ ATOM 584 CD PRO A 75 -12.182 -21.823 -29.435 1.00 0.00 C
586
+ ATOM 585 N ALA A 76 -12.140 -19.686 -26.088 1.00 0.00 N
587
+ ATOM 586 CA ALA A 76 -12.145 -19.243 -24.696 1.00 0.00 C
588
+ ATOM 587 C ALA A 76 -10.769 -18.732 -24.278 1.00 0.00 C
589
+ ATOM 588 CB ALA A 76 -12.587 -20.380 -23.777 1.00 0.00 C
590
+ ATOM 589 O ALA A 76 -10.487 -18.594 -23.085 1.00 0.00 O
591
+ ATOM 590 N VAL A 77 -9.941 -18.464 -25.293 1.00 0.00 N
592
+ ATOM 591 CA VAL A 77 -8.596 -17.966 -25.022 1.00 0.00 C
593
+ ATOM 592 C VAL A 77 -8.356 -16.675 -25.800 1.00 0.00 C
594
+ ATOM 593 CB VAL A 77 -7.519 -19.015 -25.382 1.00 0.00 C
595
+ ATOM 594 O VAL A 77 -8.577 -16.624 -27.013 1.00 0.00 O
596
+ ATOM 595 CG1 VAL A 77 -6.119 -18.454 -25.145 1.00 0.00 C
597
+ ATOM 596 CG2 VAL A 77 -7.730 -20.294 -24.574 1.00 0.00 C
598
+ ATOM 597 N PHE A 78 -7.875 -15.647 -25.104 1.00 0.00 N
599
+ ATOM 598 CA PHE A 78 -7.543 -14.356 -25.694 1.00 0.00 C
600
+ ATOM 599 C PHE A 78 -6.107 -13.964 -25.363 1.00 0.00 C
601
+ ATOM 600 CB PHE A 78 -8.508 -13.274 -25.202 1.00 0.00 C
602
+ ATOM 601 O PHE A 78 -5.502 -14.520 -24.445 1.00 0.00 O
603
+ ATOM 602 CG PHE A 78 -9.955 -13.577 -25.486 1.00 0.00 C
604
+ ATOM 603 CD1 PHE A 78 -10.588 -13.034 -26.596 1.00 0.00 C
605
+ ATOM 604 CD2 PHE A 78 -10.681 -14.407 -24.642 1.00 0.00 C
606
+ ATOM 605 CE1 PHE A 78 -11.928 -13.312 -26.862 1.00 0.00 C
607
+ ATOM 606 CE2 PHE A 78 -12.019 -14.691 -24.901 1.00 0.00 C
608
+ ATOM 607 CZ PHE A 78 -12.640 -14.142 -26.011 1.00 0.00 C
609
+ ATOM 608 N LYS A 79 -5.635 -13.023 -26.136 1.00 0.00 N
610
+ ATOM 609 CA LYS A 79 -4.280 -12.533 -25.899 1.00 0.00 C
611
+ ATOM 610 C LYS A 79 -4.282 -11.037 -25.600 1.00 0.00 C
612
+ ATOM 611 CB LYS A 79 -3.384 -12.826 -27.104 1.00 0.00 C
613
+ ATOM 612 O LYS A 79 -4.925 -10.258 -26.306 1.00 0.00 O
614
+ ATOM 613 CG LYS A 79 -1.896 -12.697 -26.816 1.00 0.00 C
615
+ ATOM 614 CD LYS A 79 -1.057 -13.061 -28.033 1.00 0.00 C
616
+ ATOM 615 CE LYS A 79 0.428 -12.843 -27.776 1.00 0.00 C
617
+ ATOM 616 NZ LYS A 79 1.256 -13.205 -28.965 1.00 0.00 N
618
+ ATOM 617 N ILE A 80 -3.666 -10.666 -24.531 1.00 0.00 N
619
+ ATOM 618 CA ILE A 80 -3.368 -9.277 -24.199 1.00 0.00 C
620
+ ATOM 619 C ILE A 80 -1.857 -9.086 -24.088 1.00 0.00 C
621
+ ATOM 620 CB ILE A 80 -4.061 -8.848 -22.887 1.00 0.00 C
622
+ ATOM 621 O ILE A 80 -1.232 -9.571 -23.142 1.00 0.00 O
623
+ ATOM 622 CG1 ILE A 80 -5.579 -9.028 -23.002 1.00 0.00 C
624
+ ATOM 623 CG2 ILE A 80 -3.706 -7.400 -22.537 1.00 0.00 C
625
+ ATOM 624 CD1 ILE A 80 -6.333 -8.773 -21.703 1.00 0.00 C
626
+ ATOM 625 N ASP A 81 -1.335 -8.419 -25.018 1.00 0.00 N
627
+ ATOM 626 CA ASP A 81 0.116 -8.313 -25.117 1.00 0.00 C
628
+ ATOM 627 C ASP A 81 0.769 -9.694 -25.099 1.00 0.00 C
629
+ ATOM 628 CB ASP A 81 0.672 -7.453 -23.981 1.00 0.00 C
630
+ ATOM 629 O ASP A 81 0.542 -10.506 -25.997 1.00 0.00 O
631
+ ATOM 630 CG ASP A 81 0.245 -5.999 -24.075 1.00 0.00 C
632
+ ATOM 631 OD1 ASP A 81 0.087 -5.482 -25.202 1.00 0.00 O
633
+ ATOM 632 OD2 ASP A 81 0.069 -5.364 -23.013 1.00 0.00 O
634
+ ATOM 633 N GLU A 82 1.555 -9.969 -24.059 1.00 0.00 N
635
+ ATOM 634 CA GLU A 82 2.245 -11.253 -23.992 1.00 0.00 C
636
+ ATOM 635 C GLU A 82 1.504 -12.231 -23.084 1.00 0.00 C
637
+ ATOM 636 CB GLU A 82 3.683 -11.067 -23.501 1.00 0.00 C
638
+ ATOM 637 O GLU A 82 1.941 -13.369 -22.901 1.00 0.00 O
639
+ ATOM 638 CG GLU A 82 4.556 -10.256 -24.448 1.00 0.00 C
640
+ ATOM 639 CD GLU A 82 6.016 -10.208 -24.026 1.00 0.00 C
641
+ ATOM 640 OE1 GLU A 82 6.862 -9.737 -24.820 1.00 0.00 O
642
+ ATOM 641 OE2 GLU A 82 6.316 -10.649 -22.893 1.00 0.00 O
643
+ ATOM 642 N ASN A 83 0.354 -11.803 -22.706 1.00 0.00 N
644
+ ATOM 643 CA ASN A 83 -0.380 -12.632 -21.756 1.00 0.00 C
645
+ ATOM 644 C ASN A 83 -1.611 -13.265 -22.398 1.00 0.00 C
646
+ ATOM 645 CB ASN A 83 -0.784 -11.814 -20.528 1.00 0.00 C
647
+ ATOM 646 O ASN A 83 -2.162 -12.724 -23.359 1.00 0.00 O
648
+ ATOM 647 CG ASN A 83 0.406 -11.411 -19.678 1.00 0.00 C
649
+ ATOM 648 ND2 ASN A 83 0.447 -10.146 -19.277 1.00 0.00 N
650
+ ATOM 649 OD1 ASN A 83 1.280 -12.230 -19.384 1.00 0.00 O
651
+ ATOM 650 N LYS A 84 -1.959 -14.408 -21.830 1.00 0.00 N
652
+ ATOM 651 CA LYS A 84 -3.194 -15.066 -22.247 1.00 0.00 C
653
+ ATOM 652 C LYS A 84 -4.273 -14.941 -21.175 1.00 0.00 C
654
+ ATOM 653 CB LYS A 84 -2.938 -16.540 -22.563 1.00 0.00 C
655
+ ATOM 654 O LYS A 84 -3.988 -15.067 -19.982 1.00 0.00 O
656
+ ATOM 655 CG LYS A 84 -2.085 -16.768 -23.802 1.00 0.00 C
657
+ ATOM 656 CD LYS A 84 -1.894 -18.253 -24.084 1.00 0.00 C
658
+ ATOM 657 CE LYS A 84 -1.004 -18.483 -25.298 1.00 0.00 C
659
+ ATOM 658 NZ LYS A 84 -0.771 -19.937 -25.546 1.00 0.00 N
660
+ ATOM 659 N VAL A 85 -5.433 -14.709 -21.658 1.00 0.00 N
661
+ ATOM 660 CA VAL A 85 -6.612 -14.695 -20.797 1.00 0.00 C
662
+ ATOM 661 C VAL A 85 -7.510 -15.884 -21.133 1.00 0.00 C
663
+ ATOM 662 CB VAL A 85 -7.401 -13.374 -20.937 1.00 0.00 C
664
+ ATOM 663 O VAL A 85 -7.869 -16.090 -22.295 1.00 0.00 O
665
+ ATOM 664 CG1 VAL A 85 -8.696 -13.432 -20.128 1.00 0.00 C
666
+ ATOM 665 CG2 VAL A 85 -6.543 -12.192 -20.494 1.00 0.00 C
667
+ ATOM 666 N LEU A 86 -7.883 -16.568 -20.096 1.00 0.00 N
668
+ ATOM 667 CA LEU A 86 -8.698 -17.768 -20.252 1.00 0.00 C
669
+ ATOM 668 C LEU A 86 -10.057 -17.592 -19.584 1.00 0.00 C
670
+ ATOM 669 CB LEU A 86 -7.980 -18.984 -19.663 1.00 0.00 C
671
+ ATOM 670 O LEU A 86 -10.134 -17.226 -18.408 1.00 0.00 O
672
+ ATOM 671 CG LEU A 86 -6.542 -19.215 -20.130 1.00 0.00 C
673
+ ATOM 672 CD1 LEU A 86 -5.801 -20.109 -19.142 1.00 0.00 C
674
+ ATOM 673 CD2 LEU A 86 -6.525 -19.824 -21.529 1.00 0.00 C
675
+ ATOM 674 N VAL A 87 -11.046 -17.889 -20.348 1.00 0.00 N
676
+ ATOM 675 CA VAL A 87 -12.364 -17.963 -19.729 1.00 0.00 C
677
+ ATOM 676 C VAL A 87 -12.588 -19.360 -19.154 1.00 0.00 C
678
+ ATOM 677 CB VAL A 87 -13.485 -17.616 -20.736 1.00 0.00 C
679
+ ATOM 678 O VAL A 87 -12.614 -20.345 -19.894 1.00 0.00 O
680
+ ATOM 679 CG1 VAL A 87 -14.858 -17.730 -20.075 1.00 0.00 C
681
+ ATOM 680 CG2 VAL A 87 -13.276 -16.213 -21.302 1.00 0.00 C
682
+ ATOM 681 N LEU A 88 -12.809 -19.389 -17.891 1.00 0.00 N
683
+ ATOM 682 CA LEU A 88 -12.902 -20.668 -17.195 1.00 0.00 C
684
+ ATOM 683 C LEU A 88 -14.333 -21.194 -17.215 1.00 0.00 C
685
+ ATOM 684 CB LEU A 88 -12.418 -20.529 -15.750 1.00 0.00 C
686
+ ATOM 685 O LEU A 88 -14.553 -22.401 -17.339 1.00 0.00 O
687
+ ATOM 686 CG LEU A 88 -10.970 -20.072 -15.561 1.00 0.00 C
688
+ ATOM 687 CD1 LEU A 88 -10.616 -20.031 -14.078 1.00 0.00 C
689
+ ATOM 688 CD2 LEU A 88 -10.017 -20.990 -16.318 1.00 0.00 C
690
+ ATOM 689 N ASP A 89 -15.258 -20.285 -16.983 1.00 0.00 N
691
+ ATOM 690 CA ASP A 89 -16.662 -20.669 -16.879 1.00 0.00 C
692
+ ATOM 691 C ASP A 89 -17.576 -19.451 -17.000 1.00 0.00 C
693
+ ATOM 692 CB ASP A 89 -16.924 -21.393 -15.556 1.00 0.00 C
694
+ ATOM 693 O ASP A 89 -17.163 -18.327 -16.705 1.00 0.00 O
695
+ ATOM 694 CG ASP A 89 -18.255 -22.123 -15.533 1.00 0.00 C
696
+ ATOM 695 OD1 ASP A 89 -18.842 -22.356 -16.611 1.00 0.00 O
697
+ ATOM 696 OD2 ASP A 89 -18.723 -22.466 -14.425 1.00 0.00 O
698
+ ATOM 697 N THR A 90 -18.744 -19.696 -17.562 1.00 0.00 N
699
+ ATOM 698 CA THR A 90 -19.765 -18.656 -17.567 1.00 0.00 C
700
+ ATOM 699 C THR A 90 -21.152 -19.258 -17.777 1.00 0.00 C
701
+ ATOM 700 CB THR A 90 -19.488 -17.607 -18.660 1.00 0.00 C
702
+ ATOM 701 O THR A 90 -21.295 -20.273 -18.462 1.00 0.00 O
703
+ ATOM 702 CG2 THR A 90 -19.585 -18.223 -20.051 1.00 0.00 C
704
+ ATOM 703 OG1 THR A 90 -20.446 -16.546 -18.551 1.00 0.00 O
705
+ ATOM 704 N ASP A 91 -22.131 -18.626 -17.188 1.00 0.00 N
706
+ ATOM 705 CA ASP A 91 -23.509 -18.955 -17.539 1.00 0.00 C
707
+ ATOM 706 C ASP A 91 -24.181 -17.796 -18.270 1.00 0.00 C
708
+ ATOM 707 CB ASP A 91 -24.309 -19.323 -16.289 1.00 0.00 C
709
+ ATOM 708 O ASP A 91 -25.398 -17.800 -18.466 1.00 0.00 O
710
+ ATOM 709 CG ASP A 91 -24.616 -18.126 -15.407 1.00 0.00 C
711
+ ATOM 710 OD1 ASP A 91 -24.247 -16.989 -15.772 1.00 0.00 O
712
+ ATOM 711 OD2 ASP A 91 -25.232 -18.321 -14.336 1.00 0.00 O
713
+ ATOM 712 N TYR A 92 -23.505 -16.779 -18.716 1.00 0.00 N
714
+ ATOM 713 CA TYR A 92 -23.810 -15.614 -19.539 1.00 0.00 C
715
+ ATOM 714 C TYR A 92 -24.762 -14.669 -18.815 1.00 0.00 C
716
+ ATOM 715 CB TYR A 92 -24.420 -16.045 -20.876 1.00 0.00 C
717
+ ATOM 716 O TYR A 92 -24.732 -13.456 -19.038 1.00 0.00 O
718
+ ATOM 717 CG TYR A 92 -23.522 -16.941 -21.693 1.00 0.00 C
719
+ ATOM 718 CD1 TYR A 92 -22.313 -16.470 -22.201 1.00 0.00 C
720
+ ATOM 719 CD2 TYR A 92 -23.878 -18.258 -21.958 1.00 0.00 C
721
+ ATOM 720 CE1 TYR A 92 -21.481 -17.292 -22.956 1.00 0.00 C
722
+ ATOM 721 CE2 TYR A 92 -23.055 -19.089 -22.712 1.00 0.00 C
723
+ ATOM 722 OH TYR A 92 -21.041 -19.414 -23.951 1.00 0.00 O
724
+ ATOM 723 CZ TYR A 92 -21.860 -18.597 -23.206 1.00 0.00 C
725
+ ATOM 724 N LYS A 93 -25.583 -15.203 -17.955 1.00 0.00 N
726
+ ATOM 725 CA LYS A 93 -26.614 -14.370 -17.340 1.00 0.00 C
727
+ ATOM 726 C LYS A 93 -26.234 -13.990 -15.912 1.00 0.00 C
728
+ ATOM 727 CB LYS A 93 -27.963 -15.090 -17.351 1.00 0.00 C
729
+ ATOM 728 O LYS A 93 -26.809 -13.063 -15.338 1.00 0.00 O
730
+ ATOM 729 CG LYS A 93 -28.556 -15.273 -18.741 1.00 0.00 C
731
+ ATOM 730 CD LYS A 93 -29.938 -15.911 -18.678 1.00 0.00 C
732
+ ATOM 731 CE LYS A 93 -30.534 -16.090 -20.067 1.00 0.00 C
733
+ ATOM 732 NZ LYS A 93 -31.908 -16.675 -20.009 1.00 0.00 N
734
+ ATOM 733 N LYS A 94 -25.305 -14.703 -15.426 1.00 0.00 N
735
+ ATOM 734 CA LYS A 94 -25.103 -14.498 -13.995 1.00 0.00 C
736
+ ATOM 735 C LYS A 94 -23.643 -14.179 -13.685 1.00 0.00 C
737
+ ATOM 736 CB LYS A 94 -25.549 -15.730 -13.207 1.00 0.00 C
738
+ ATOM 737 O LYS A 94 -23.352 -13.285 -12.888 1.00 0.00 O
739
+ ATOM 738 CG LYS A 94 -27.058 -15.923 -13.162 1.00 0.00 C
740
+ ATOM 739 CD LYS A 94 -27.448 -17.054 -12.218 1.00 0.00 C
741
+ ATOM 740 CE LYS A 94 -28.959 -17.237 -12.159 1.00 0.00 C
742
+ ATOM 741 NZ LYS A 94 -29.351 -18.296 -11.181 1.00 0.00 N
743
+ ATOM 742 N TYR A 95 -22.754 -14.983 -14.296 1.00 0.00 N
744
+ ATOM 743 CA TYR A 95 -21.365 -14.769 -13.904 1.00 0.00 C
745
+ ATOM 744 C TYR A 95 -20.421 -15.062 -15.063 1.00 0.00 C
746
+ ATOM 745 CB TYR A 95 -21.005 -15.649 -12.702 1.00 0.00 C
747
+ ATOM 746 O TYR A 95 -20.806 -15.713 -16.037 1.00 0.00 O
748
+ ATOM 747 CG TYR A 95 -20.955 -17.122 -13.022 1.00 0.00 C
749
+ ATOM 748 CD1 TYR A 95 -22.032 -17.956 -12.729 1.00 0.00 C
750
+ ATOM 749 CD2 TYR A 95 -19.831 -17.685 -13.617 1.00 0.00 C
751
+ ATOM 750 CE1 TYR A 95 -21.990 -19.316 -13.019 1.00 0.00 C
752
+ ATOM 751 CE2 TYR A 95 -19.778 -19.044 -13.912 1.00 0.00 C
753
+ ATOM 752 OH TYR A 95 -20.814 -21.194 -13.901 1.00 0.00 O
754
+ ATOM 753 CZ TYR A 95 -20.861 -19.849 -13.611 1.00 0.00 C
755
+ ATOM 754 N LEU A 96 -19.240 -14.577 -15.001 1.00 0.00 N
756
+ ATOM 755 CA LEU A 96 -18.109 -14.856 -15.879 1.00 0.00 C
757
+ ATOM 756 C LEU A 96 -16.822 -15.010 -15.076 1.00 0.00 C
758
+ ATOM 757 CB LEU A 96 -17.947 -13.741 -16.916 1.00 0.00 C
759
+ ATOM 758 O LEU A 96 -16.475 -14.138 -14.277 1.00 0.00 O
760
+ ATOM 759 CG LEU A 96 -16.845 -13.938 -17.957 1.00 0.00 C
761
+ ATOM 760 CD1 LEU A 96 -17.264 -14.991 -18.978 1.00 0.00 C
762
+ ATOM 761 CD2 LEU A 96 -16.518 -12.618 -18.646 1.00 0.00 C
763
+ ATOM 762 N LEU A 97 -16.112 -16.141 -15.212 1.00 0.00 N
764
+ ATOM 763 CA LEU A 97 -14.847 -16.445 -14.552 1.00 0.00 C
765
+ ATOM 764 C LEU A 97 -13.705 -16.490 -15.563 1.00 0.00 C
766
+ ATOM 765 CB LEU A 97 -14.938 -17.779 -13.807 1.00 0.00 C
767
+ ATOM 766 O LEU A 97 -13.789 -17.196 -16.570 1.00 0.00 O
768
+ ATOM 767 CG LEU A 97 -16.178 -17.987 -12.937 1.00 0.00 C
769
+ ATOM 768 CD1 LEU A 97 -16.127 -19.351 -12.258 1.00 0.00 C
770
+ ATOM 769 CD2 LEU A 97 -16.299 -16.873 -11.903 1.00 0.00 C
771
+ ATOM 770 N PHE A 98 -12.662 -15.738 -15.238 1.00 0.00 N
772
+ ATOM 771 CA PHE A 98 -11.534 -15.854 -16.154 1.00 0.00 C
773
+ ATOM 772 C PHE A 98 -10.214 -15.668 -15.415 1.00 0.00 C
774
+ ATOM 773 CB PHE A 98 -11.651 -14.827 -17.285 1.00 0.00 C
775
+ ATOM 774 O PHE A 98 -10.198 -15.216 -14.268 1.00 0.00 O
776
+ ATOM 775 CG PHE A 98 -11.595 -13.398 -16.816 1.00 0.00 C
777
+ ATOM 776 CD1 PHE A 98 -12.761 -12.704 -16.520 1.00 0.00 C
778
+ ATOM 777 CD2 PHE A 98 -10.375 -12.750 -16.671 1.00 0.00 C
779
+ ATOM 778 CE1 PHE A 98 -12.712 -11.381 -16.086 1.00 0.00 C
780
+ ATOM 779 CE2 PHE A 98 -10.319 -11.429 -16.237 1.00 0.00 C
781
+ ATOM 780 CZ PHE A 98 -11.488 -10.746 -15.946 1.00 0.00 C
782
+ ATOM 781 N CYS A 99 -9.071 -16.097 -16.144 1.00 0.00 N
783
+ ATOM 782 CA CYS A 99 -7.744 -16.031 -15.541 1.00 0.00 C
784
+ ATOM 783 C CYS A 99 -6.707 -15.563 -16.555 1.00 0.00 C
785
+ ATOM 784 CB CYS A 99 -7.342 -17.395 -14.980 1.00 0.00 C
786
+ ATOM 785 O CYS A 99 -6.844 -15.818 -17.753 1.00 0.00 O
787
+ ATOM 786 SG CYS A 99 -8.280 -17.884 -13.515 1.00 0.00 S
788
+ ATOM 787 N MET A 100 -5.706 -14.868 -15.942 1.00 0.00 N
789
+ ATOM 788 CA MET A 100 -4.476 -14.623 -16.690 1.00 0.00 C
790
+ ATOM 789 C MET A 100 -3.463 -15.737 -16.449 1.00 0.00 C
791
+ ATOM 790 CB MET A 100 -3.870 -13.273 -16.302 1.00 0.00 C
792
+ ATOM 791 O MET A 100 -3.194 -16.102 -15.303 1.00 0.00 O
793
+ ATOM 792 CG MET A 100 -4.652 -12.078 -16.822 1.00 0.00 C
794
+ ATOM 793 SD MET A 100 -3.591 -10.605 -17.086 1.00 0.00 S
795
+ ATOM 794 CE MET A 100 -3.252 -10.142 -15.364 1.00 0.00 C
796
+ ATOM 795 N GLU A 101 -2.820 -16.260 -17.548 1.00 0.00 N
797
+ ATOM 796 CA GLU A 101 -2.018 -17.475 -17.463 1.00 0.00 C
798
+ ATOM 797 C GLU A 101 -0.595 -17.166 -17.005 1.00 0.00 C
799
+ ATOM 798 CB GLU A 101 -1.990 -18.199 -18.811 1.00 0.00 C
800
+ ATOM 799 O GLU A 101 -0.054 -17.853 -16.136 1.00 0.00 O
801
+ ATOM 800 CG GLU A 101 -1.272 -19.540 -18.776 1.00 0.00 C
802
+ ATOM 801 CD GLU A 101 -1.322 -20.282 -20.102 1.00 0.00 C
803
+ ATOM 802 OE1 GLU A 101 -1.479 -21.524 -20.097 1.00 0.00 O
804
+ ATOM 803 OE2 GLU A 101 -1.201 -19.617 -21.155 1.00 0.00 O
805
+ ATOM 804 N ASN A 102 0.157 -16.170 -17.528 1.00 0.00 N
806
+ ATOM 805 CA ASN A 102 1.571 -15.946 -17.245 1.00 0.00 C
807
+ ATOM 806 C ASN A 102 1.797 -15.564 -15.785 1.00 0.00 C
808
+ ATOM 807 CB ASN A 102 2.139 -14.867 -18.170 1.00 0.00 C
809
+ ATOM 808 O ASN A 102 2.766 -16.008 -15.165 1.00 0.00 O
810
+ ATOM 809 CG ASN A 102 2.315 -15.352 -19.595 1.00 0.00 C
811
+ ATOM 810 ND2 ASN A 102 2.473 -14.418 -20.525 1.00 0.00 N
812
+ ATOM 811 OD1 ASN A 102 2.308 -16.558 -19.858 1.00 0.00 O
813
+ ATOM 812 N SER A 103 1.117 -14.682 -15.174 1.00 0.00 N
814
+ ATOM 813 CA SER A 103 1.040 -14.369 -13.751 1.00 0.00 C
815
+ ATOM 814 C SER A 103 -0.344 -14.680 -13.190 1.00 0.00 C
816
+ ATOM 815 CB SER A 103 1.380 -12.898 -13.507 1.00 0.00 C
817
+ ATOM 816 O SER A 103 -1.307 -13.964 -13.469 1.00 0.00 O
818
+ ATOM 817 OG SER A 103 2.424 -12.473 -14.365 1.00 0.00 O
819
+ ATOM 818 N LEU A 104 -0.504 -15.955 -12.779 1.00 0.00 N
820
+ ATOM 819 CA LEU A 104 -1.815 -16.522 -12.476 1.00 0.00 C
821
+ ATOM 820 C LEU A 104 -2.632 -15.567 -11.612 1.00 0.00 C
822
+ ATOM 821 CB LEU A 104 -1.665 -17.869 -11.765 1.00 0.00 C
823
+ ATOM 822 O LEU A 104 -2.321 -15.365 -10.436 1.00 0.00 O
824
+ ATOM 823 CG LEU A 104 -2.937 -18.707 -11.624 1.00 0.00 C
825
+ ATOM 824 CD1 LEU A 104 -3.525 -19.013 -12.997 1.00 0.00 C
826
+ ATOM 825 CD2 LEU A 104 -2.648 -19.994 -10.860 1.00 0.00 C
827
+ ATOM 826 N ALA A 105 -3.490 -14.887 -12.178 1.00 0.00 N
828
+ ATOM 827 CA ALA A 105 -4.502 -14.062 -11.523 1.00 0.00 C
829
+ ATOM 828 C ALA A 105 -5.882 -14.304 -12.129 1.00 0.00 C
830
+ ATOM 829 CB ALA A 105 -4.131 -12.585 -11.624 1.00 0.00 C
831
+ ATOM 830 O ALA A 105 -6.018 -14.436 -13.348 1.00 0.00 O
832
+ ATOM 831 N CYS A 106 -6.905 -14.355 -11.272 1.00 0.00 N
833
+ ATOM 832 CA CYS A 106 -8.248 -14.698 -11.725 1.00 0.00 C
834
+ ATOM 833 C CYS A 106 -9.273 -13.705 -11.191 1.00 0.00 C
835
+ ATOM 834 CB CYS A 106 -8.619 -16.114 -11.284 1.00 0.00 C
836
+ ATOM 835 O CYS A 106 -9.053 -13.075 -10.155 1.00 0.00 O
837
+ ATOM 836 SG CYS A 106 -7.520 -17.390 -11.935 1.00 0.00 S
838
+ ATOM 837 N GLN A 107 -10.387 -13.631 -11.945 1.00 0.00 N
839
+ ATOM 838 CA GLN A 107 -11.456 -12.727 -11.534 1.00 0.00 C
840
+ ATOM 839 C GLN A 107 -12.822 -13.392 -11.670 1.00 0.00 C
841
+ ATOM 840 CB GLN A 107 -11.415 -11.438 -12.358 1.00 0.00 C
842
+ ATOM 841 O GLN A 107 -13.027 -14.228 -12.551 1.00 0.00 O
843
+ ATOM 842 CG GLN A 107 -10.247 -10.524 -12.013 1.00 0.00 C
844
+ ATOM 843 CD GLN A 107 -10.379 -9.144 -12.630 1.00 0.00 C
845
+ ATOM 844 NE2 GLN A 107 -9.252 -8.557 -13.018 1.00 0.00 N
846
+ ATOM 845 OE1 GLN A 107 -11.485 -8.611 -12.758 1.00 0.00 O
847
+ ATOM 846 N CYS A 108 -13.660 -12.969 -10.770 1.00 0.00 N
848
+ ATOM 847 CA CYS A 108 -15.078 -13.305 -10.805 1.00 0.00 C
849
+ ATOM 848 C CYS A 108 -15.926 -12.068 -11.078 1.00 0.00 C
850
+ ATOM 849 CB CYS A 108 -15.510 -13.949 -9.488 1.00 0.00 C
851
+ ATOM 850 O CYS A 108 -15.915 -11.118 -10.295 1.00 0.00 O
852
+ ATOM 851 SG CYS A 108 -17.250 -14.426 -9.446 1.00 0.00 S
853
+ ATOM 852 N LEU A 109 -16.703 -12.117 -12.148 1.00 0.00 N
854
+ ATOM 853 CA LEU A 109 -17.586 -11.017 -12.523 1.00 0.00 C
855
+ ATOM 854 C LEU A 109 -19.048 -11.445 -12.452 1.00 0.00 C
856
+ ATOM 855 CB LEU A 109 -17.256 -10.522 -13.934 1.00 0.00 C
857
+ ATOM 856 O LEU A 109 -19.368 -12.616 -12.668 1.00 0.00 O
858
+ ATOM 857 CG LEU A 109 -15.793 -10.163 -14.201 1.00 0.00 C
859
+ ATOM 858 CD1 LEU A 109 -15.610 -9.724 -15.650 1.00 0.00 C
860
+ ATOM 859 CD2 LEU A 109 -15.327 -9.071 -13.244 1.00 0.00 C
861
+ ATOM 860 N VAL A 110 -19.875 -10.377 -12.146 1.00 0.00 N
862
+ ATOM 861 CA VAL A 110 -21.302 -10.673 -12.079 1.00 0.00 C
863
+ ATOM 862 C VAL A 110 -22.086 -9.619 -12.857 1.00 0.00 C
864
+ ATOM 863 CB VAL A 110 -21.801 -10.737 -10.618 1.00 0.00 C
865
+ ATOM 864 O VAL A 110 -21.622 -8.489 -13.023 1.00 0.00 O
866
+ ATOM 865 CG1 VAL A 110 -21.222 -11.956 -9.903 1.00 0.00 C
867
+ ATOM 866 CG2 VAL A 110 -21.437 -9.454 -9.874 1.00 0.00 C
868
+ ATOM 867 N ARG A 111 -23.275 -10.004 -13.301 1.00 0.00 N
869
+ ATOM 868 CA ARG A 111 -24.092 -9.124 -14.129 1.00 0.00 C
870
+ ATOM 869 C ARG A 111 -24.774 -8.054 -13.283 1.00 0.00 C
871
+ ATOM 870 CB ARG A 111 -25.140 -9.930 -14.899 1.00 0.00 C
872
+ ATOM 871 O ARG A 111 -25.064 -6.960 -13.772 1.00 0.00 O
873
+ ATOM 872 CG ARG A 111 -24.572 -10.731 -16.059 1.00 0.00 C
874
+ ATOM 873 CD ARG A 111 -24.157 -9.832 -17.215 1.00 0.00 C
875
+ ATOM 874 NE ARG A 111 -23.815 -10.606 -18.404 1.00 0.00 N
876
+ ATOM 875 NH1 ARG A 111 -23.121 -8.784 -19.644 1.00 0.00 N
877
+ ATOM 876 NH2 ARG A 111 -23.053 -10.888 -20.553 1.00 0.00 N
878
+ ATOM 877 CZ ARG A 111 -23.331 -10.091 -19.531 1.00 0.00 C
879
+ ATOM 878 N THR A 112 -25.022 -8.367 -12.052 1.00 0.00 N
880
+ ATOM 879 CA THR A 112 -25.712 -7.436 -11.166 1.00 0.00 C
881
+ ATOM 880 C THR A 112 -24.819 -7.045 -9.991 1.00 0.00 C
882
+ ATOM 881 CB THR A 112 -27.027 -8.038 -10.637 1.00 0.00 C
883
+ ATOM 882 O THR A 112 -23.956 -7.821 -9.576 1.00 0.00 O
884
+ ATOM 883 CG2 THR A 112 -27.931 -8.477 -11.784 1.00 0.00 C
885
+ ATOM 884 OG1 THR A 112 -26.729 -9.175 -9.817 1.00 0.00 O
886
+ ATOM 885 N PRO A 113 -25.082 -5.854 -9.489 1.00 0.00 N
887
+ ATOM 886 CA PRO A 113 -24.217 -5.377 -8.408 1.00 0.00 C
888
+ ATOM 887 C PRO A 113 -24.530 -6.039 -7.068 1.00 0.00 C
889
+ ATOM 888 CB PRO A 113 -24.511 -3.876 -8.357 1.00 0.00 C
890
+ ATOM 889 O PRO A 113 -24.047 -5.590 -6.026 1.00 0.00 O
891
+ ATOM 890 CG PRO A 113 -25.882 -3.735 -8.934 1.00 0.00 C
892
+ ATOM 891 CD PRO A 113 -26.108 -4.855 -9.908 1.00 0.00 C
893
+ ATOM 892 N GLU A 114 -25.228 -7.030 -7.088 1.00 0.00 N
894
+ ATOM 893 CA GLU A 114 -25.514 -7.781 -5.869 1.00 0.00 C
895
+ ATOM 894 C GLU A 114 -24.555 -8.957 -5.707 1.00 0.00 C
896
+ ATOM 895 CB GLU A 114 -26.961 -8.280 -5.871 1.00 0.00 C
897
+ ATOM 896 O GLU A 114 -24.048 -9.492 -6.695 1.00 0.00 O
898
+ ATOM 897 CG GLU A 114 -27.995 -7.168 -5.974 1.00 0.00 C
899
+ ATOM 898 CD GLU A 114 -29.427 -7.673 -5.913 1.00 0.00 C
900
+ ATOM 899 OE1 GLU A 114 -30.356 -6.847 -5.756 1.00 0.00 O
901
+ ATOM 900 OE2 GLU A 114 -29.624 -8.904 -6.020 1.00 0.00 O
902
+ ATOM 901 N VAL A 115 -24.329 -9.205 -4.452 1.00 0.00 N
903
+ ATOM 902 CA VAL A 115 -23.527 -10.398 -4.200 1.00 0.00 C
904
+ ATOM 903 C VAL A 115 -24.262 -11.634 -4.715 1.00 0.00 C
905
+ ATOM 904 CB VAL A 115 -23.202 -10.558 -2.698 1.00 0.00 C
906
+ ATOM 905 O VAL A 115 -25.454 -11.810 -4.448 1.00 0.00 O
907
+ ATOM 906 CG1 VAL A 115 -22.444 -11.860 -2.445 1.00 0.00 C
908
+ ATOM 907 CG2 VAL A 115 -22.396 -9.362 -2.196 1.00 0.00 C
909
+ ATOM 908 N ASP A 116 -23.450 -12.359 -5.429 1.00 0.00 N
910
+ ATOM 909 CA ASP A 116 -23.971 -13.602 -5.988 1.00 0.00 C
911
+ ATOM 910 C ASP A 116 -23.246 -14.813 -5.404 1.00 0.00 C
912
+ ATOM 911 CB ASP A 116 -23.847 -13.599 -7.513 1.00 0.00 C
913
+ ATOM 912 O ASP A 116 -22.128 -15.130 -5.814 1.00 0.00 O
914
+ ATOM 913 CG ASP A 116 -24.598 -14.743 -8.172 1.00 0.00 C
915
+ ATOM 914 OD1 ASP A 116 -24.513 -15.891 -7.683 1.00 0.00 O
916
+ ATOM 915 OD2 ASP A 116 -25.278 -14.496 -9.191 1.00 0.00 O
917
+ ATOM 916 N ASP A 117 -23.887 -15.537 -4.525 1.00 0.00 N
918
+ ATOM 917 CA ASP A 117 -23.269 -16.660 -3.825 1.00 0.00 C
919
+ ATOM 918 C ASP A 117 -22.922 -17.788 -4.794 1.00 0.00 C
920
+ ATOM 919 CB ASP A 117 -24.195 -17.180 -2.723 1.00 0.00 C
921
+ ATOM 920 O ASP A 117 -21.916 -18.478 -4.615 1.00 0.00 O
922
+ ATOM 921 CG ASP A 117 -24.336 -16.212 -1.562 1.00 0.00 C
923
+ ATOM 922 OD1 ASP A 117 -23.385 -15.447 -1.286 1.00 0.00 O
924
+ ATOM 923 OD2 ASP A 117 -25.405 -16.216 -0.914 1.00 0.00 O
925
+ ATOM 924 N GLU A 118 -23.823 -17.912 -5.741 1.00 0.00 N
926
+ ATOM 925 CA GLU A 118 -23.532 -18.943 -6.732 1.00 0.00 C
927
+ ATOM 926 C GLU A 118 -22.228 -18.649 -7.468 1.00 0.00 C
928
+ ATOM 927 CB GLU A 118 -24.684 -19.068 -7.734 1.00 0.00 C
929
+ ATOM 928 O GLU A 118 -21.396 -19.541 -7.647 1.00 0.00 O
930
+ ATOM 929 CG GLU A 118 -24.483 -20.163 -8.771 1.00 0.00 C
931
+ ATOM 930 CD GLU A 118 -25.579 -20.202 -9.823 1.00 0.00 C
932
+ ATOM 931 OE1 GLU A 118 -25.421 -20.918 -10.838 1.00 0.00 O
933
+ ATOM 932 OE2 GLU A 118 -26.604 -19.510 -9.631 1.00 0.00 O
934
+ ATOM 933 N ALA A 119 -22.078 -17.461 -7.887 1.00 0.00 N
935
+ ATOM 934 CA ALA A 119 -20.860 -17.053 -8.581 1.00 0.00 C
936
+ ATOM 935 C ALA A 119 -19.628 -17.286 -7.709 1.00 0.00 C
937
+ ATOM 936 CB ALA A 119 -20.948 -15.585 -8.991 1.00 0.00 C
938
+ ATOM 937 O ALA A 119 -18.604 -17.776 -8.189 1.00 0.00 O
939
+ ATOM 938 N LEU A 120 -19.709 -16.959 -6.432 1.00 0.00 N
940
+ ATOM 939 CA LEU A 120 -18.589 -17.142 -5.514 1.00 0.00 C
941
+ ATOM 940 C LEU A 120 -18.254 -18.621 -5.354 1.00 0.00 C
942
+ ATOM 941 CB LEU A 120 -18.909 -16.528 -4.149 1.00 0.00 C
943
+ ATOM 942 O LEU A 120 -17.080 -18.995 -5.316 1.00 0.00 O
944
+ ATOM 943 CG LEU A 120 -18.819 -15.005 -4.052 1.00 0.00 C
945
+ ATOM 944 CD1 LEU A 120 -19.314 -14.529 -2.691 1.00 0.00 C
946
+ ATOM 945 CD2 LEU A 120 -17.388 -14.537 -4.299 1.00 0.00 C
947
+ ATOM 946 N GLU A 121 -19.261 -19.391 -5.240 1.00 0.00 N
948
+ ATOM 947 CA GLU A 121 -19.049 -20.830 -5.119 1.00 0.00 C
949
+ ATOM 948 C GLU A 121 -18.353 -21.392 -6.355 1.00 0.00 C
950
+ ATOM 949 CB GLU A 121 -20.380 -21.553 -4.891 1.00 0.00 C
951
+ ATOM 950 O GLU A 121 -17.413 -22.181 -6.240 1.00 0.00 O
952
+ ATOM 951 CG GLU A 121 -20.235 -23.049 -4.658 1.00 0.00 C
953
+ ATOM 952 CD GLU A 121 -21.560 -23.744 -4.384 1.00 0.00 C
954
+ ATOM 953 OE1 GLU A 121 -21.572 -24.987 -4.231 1.00 0.00 O
955
+ ATOM 954 OE2 GLU A 121 -22.593 -23.040 -4.322 1.00 0.00 O
956
+ ATOM 955 N LYS A 122 -18.854 -21.028 -7.501 1.00 0.00 N
957
+ ATOM 956 CA LYS A 122 -18.245 -21.464 -8.755 1.00 0.00 C
958
+ ATOM 957 C LYS A 122 -16.796 -20.994 -8.854 1.00 0.00 C
959
+ ATOM 958 CB LYS A 122 -19.046 -20.945 -9.950 1.00 0.00 C
960
+ ATOM 959 O LYS A 122 -15.932 -21.728 -9.339 1.00 0.00 O
961
+ ATOM 960 CG LYS A 122 -20.403 -21.612 -10.123 1.00 0.00 C
962
+ ATOM 961 CD LYS A 122 -20.264 -23.027 -10.670 1.00 0.00 C
963
+ ATOM 962 CE LYS A 122 -21.621 -23.639 -10.987 1.00 0.00 C
964
+ ATOM 963 NZ LYS A 122 -21.487 -24.947 -11.696 1.00 0.00 N
965
+ ATOM 964 N PHE A 123 -16.501 -19.809 -8.406 1.00 0.00 N
966
+ ATOM 965 CA PHE A 123 -15.153 -19.255 -8.403 1.00 0.00 C
967
+ ATOM 966 C PHE A 123 -14.231 -20.077 -7.510 1.00 0.00 C
968
+ ATOM 967 CB PHE A 123 -15.170 -17.796 -7.938 1.00 0.00 C
969
+ ATOM 968 O PHE A 123 -13.140 -20.469 -7.929 1.00 0.00 O
970
+ ATOM 969 CG PHE A 123 -13.856 -17.084 -8.122 1.00 0.00 C
971
+ ATOM 970 CD1 PHE A 123 -13.242 -16.443 -7.054 1.00 0.00 C
972
+ ATOM 971 CD2 PHE A 123 -13.236 -17.057 -9.364 1.00 0.00 C
973
+ ATOM 972 CE1 PHE A 123 -12.026 -15.783 -7.221 1.00 0.00 C
974
+ ATOM 973 CE2 PHE A 123 -12.022 -16.400 -9.539 1.00 0.00 C
975
+ ATOM 974 CZ PHE A 123 -11.418 -15.764 -8.466 1.00 0.00 C
976
+ ATOM 975 N ASP A 124 -14.699 -20.384 -6.331 1.00 0.00 N
977
+ ATOM 976 CA ASP A 124 -13.922 -21.181 -5.387 1.00 0.00 C
978
+ ATOM 977 C ASP A 124 -13.603 -22.559 -5.963 1.00 0.00 C
979
+ ATOM 978 CB ASP A 124 -14.671 -21.326 -4.061 1.00 0.00 C
980
+ ATOM 979 O ASP A 124 -12.476 -23.043 -5.845 1.00 0.00 O
981
+ ATOM 980 CG ASP A 124 -14.627 -20.065 -3.215 1.00 0.00 C
982
+ ATOM 981 OD1 ASP A 124 -13.776 -19.187 -3.473 1.00 0.00 O
983
+ ATOM 982 OD2 ASP A 124 -15.447 -19.951 -2.279 1.00 0.00 O
984
+ ATOM 983 N LYS A 125 -14.566 -23.105 -6.543 1.00 0.00 N
985
+ ATOM 984 CA LYS A 125 -14.371 -24.423 -7.141 1.00 0.00 C
986
+ ATOM 985 C LYS A 125 -13.330 -24.372 -8.256 1.00 0.00 C
987
+ ATOM 986 CB LYS A 125 -15.694 -24.966 -7.685 1.00 0.00 C
988
+ ATOM 987 O LYS A 125 -12.477 -25.256 -8.357 1.00 0.00 O
989
+ ATOM 988 CG LYS A 125 -16.619 -25.525 -6.615 1.00 0.00 C
990
+ ATOM 989 CD LYS A 125 -17.899 -26.088 -7.221 1.00 0.00 C
991
+ ATOM 990 CE LYS A 125 -18.883 -26.525 -6.145 1.00 0.00 C
992
+ ATOM 991 NZ LYS A 125 -20.176 -26.990 -6.733 1.00 0.00 N
993
+ ATOM 992 N ALA A 126 -13.448 -23.372 -9.075 1.00 0.00 N
994
+ ATOM 993 CA ALA A 126 -12.497 -23.222 -10.173 1.00 0.00 C
995
+ ATOM 994 C ALA A 126 -11.074 -23.052 -9.646 1.00 0.00 C
996
+ ATOM 995 CB ALA A 126 -12.881 -22.035 -11.052 1.00 0.00 C
997
+ ATOM 996 O ALA A 126 -10.116 -23.515 -10.268 1.00 0.00 O
998
+ ATOM 997 N LEU A 127 -10.900 -22.373 -8.488 1.00 0.00 N
999
+ ATOM 998 CA LEU A 127 -9.589 -22.056 -7.931 1.00 0.00 C
1000
+ ATOM 999 C LEU A 127 -8.957 -23.288 -7.290 1.00 0.00 C
1001
+ ATOM 1000 CB LEU A 127 -9.703 -20.931 -6.898 1.00 0.00 C
1002
+ ATOM 1001 O LEU A 127 -7.740 -23.339 -7.101 1.00 0.00 O
1003
+ ATOM 1002 CG LEU A 127 -10.072 -19.549 -7.438 1.00 0.00 C
1004
+ ATOM 1003 CD1 LEU A 127 -10.029 -18.514 -6.320 1.00 0.00 C
1005
+ ATOM 1004 CD2 LEU A 127 -9.138 -19.154 -8.577 1.00 0.00 C
1006
+ ATOM 1005 N LYS A 128 -9.748 -24.223 -6.877 1.00 0.00 N
1007
+ ATOM 1006 CA LYS A 128 -9.249 -25.399 -6.171 1.00 0.00 C
1008
+ ATOM 1007 C LYS A 128 -8.238 -26.163 -7.021 1.00 0.00 C
1009
+ ATOM 1008 CB LYS A 128 -10.404 -26.320 -5.778 1.00 0.00 C
1010
+ ATOM 1009 O LYS A 128 -7.325 -26.798 -6.488 1.00 0.00 O
1011
+ ATOM 1010 CG LYS A 128 -11.221 -25.820 -4.595 1.00 0.00 C
1012
+ ATOM 1011 CD LYS A 128 -12.328 -26.799 -4.226 1.00 0.00 C
1013
+ ATOM 1012 CE LYS A 128 -13.196 -26.262 -3.095 1.00 0.00 C
1014
+ ATOM 1013 NZ LYS A 128 -14.336 -27.177 -2.790 1.00 0.00 N
1015
+ ATOM 1014 N ALA A 129 -8.410 -26.057 -8.251 1.00 0.00 N
1016
+ ATOM 1015 CA ALA A 129 -7.524 -26.776 -9.162 1.00 0.00 C
1017
+ ATOM 1016 C ALA A 129 -6.273 -25.958 -9.469 1.00 0.00 C
1018
+ ATOM 1017 CB ALA A 129 -8.258 -27.126 -10.454 1.00 0.00 C
1019
+ ATOM 1018 O ALA A 129 -5.374 -26.427 -10.172 1.00 0.00 O
1020
+ ATOM 1019 N LEU A 130 -6.184 -24.725 -8.937 1.00 0.00 N
1021
+ ATOM 1020 CA LEU A 130 -5.095 -23.812 -9.265 1.00 0.00 C
1022
+ ATOM 1021 C LEU A 130 -4.253 -23.505 -8.032 1.00 0.00 C
1023
+ ATOM 1022 CB LEU A 130 -5.646 -22.513 -9.860 1.00 0.00 C
1024
+ ATOM 1023 O LEU A 130 -4.733 -23.619 -6.902 1.00 0.00 O
1025
+ ATOM 1024 CG LEU A 130 -6.499 -22.653 -11.121 1.00 0.00 C
1026
+ ATOM 1025 CD1 LEU A 130 -7.108 -21.306 -11.501 1.00 0.00 C
1027
+ ATOM 1026 CD2 LEU A 130 -5.668 -23.212 -12.270 1.00 0.00 C
1028
+ ATOM 1027 N PRO A 131 -3.004 -23.334 -8.205 1.00 0.00 N
1029
+ ATOM 1028 CA PRO A 131 -2.125 -22.969 -7.091 1.00 0.00 C
1030
+ ATOM 1029 C PRO A 131 -2.343 -21.535 -6.613 1.00 0.00 C
1031
+ ATOM 1030 CB PRO A 131 -0.722 -23.142 -7.678 1.00 0.00 C
1032
+ ATOM 1031 O PRO A 131 -1.456 -20.691 -6.760 1.00 0.00 O
1033
+ ATOM 1032 CG PRO A 131 -0.876 -22.839 -9.133 1.00 0.00 C
1034
+ ATOM 1033 CD PRO A 131 -2.253 -23.257 -9.564 1.00 0.00 C
1035
+ ATOM 1034 N MET A 132 -3.495 -21.253 -6.069 1.00 0.00 N
1036
+ ATOM 1035 CA MET A 132 -3.830 -19.894 -5.654 1.00 0.00 C
1037
+ ATOM 1036 C MET A 132 -3.845 -19.778 -4.133 1.00 0.00 C
1038
+ ATOM 1037 CB MET A 132 -5.187 -19.476 -6.223 1.00 0.00 C
1039
+ ATOM 1038 O MET A 132 -4.403 -20.634 -3.446 1.00 0.00 O
1040
+ ATOM 1039 CG MET A 132 -5.222 -19.420 -7.742 1.00 0.00 C
1041
+ ATOM 1040 SD MET A 132 -6.750 -18.627 -8.380 1.00 0.00 S
1042
+ ATOM 1041 CE MET A 132 -7.204 -17.609 -6.948 1.00 0.00 C
1043
+ ATOM 1042 N HIS A 133 -3.234 -18.709 -3.621 1.00 0.00 N
1044
+ ATOM 1043 CA HIS A 133 -3.093 -18.602 -2.174 1.00 0.00 C
1045
+ ATOM 1044 C HIS A 133 -3.688 -17.296 -1.657 1.00 0.00 C
1046
+ ATOM 1045 CB HIS A 133 -1.621 -18.704 -1.770 1.00 0.00 C
1047
+ ATOM 1046 O HIS A 133 -3.891 -17.136 -0.451 1.00 0.00 O
1048
+ ATOM 1047 CG HIS A 133 -0.981 -19.999 -2.157 1.00 0.00 C
1049
+ ATOM 1048 CD2 HIS A 133 -0.019 -20.280 -3.066 1.00 0.00 C
1050
+ ATOM 1049 ND1 HIS A 133 -1.327 -21.202 -1.577 1.00 0.00 N
1051
+ ATOM 1050 CE1 HIS A 133 -0.601 -22.167 -2.117 1.00 0.00 C
1052
+ ATOM 1051 NE2 HIS A 133 0.200 -21.634 -3.023 1.00 0.00 N
1053
+ ATOM 1052 N ILE A 134 -3.985 -16.337 -2.605 1.00 0.00 N
1054
+ ATOM 1053 CA ILE A 134 -4.452 -15.029 -2.160 1.00 0.00 C
1055
+ ATOM 1054 C ILE A 134 -5.779 -14.696 -2.838 1.00 0.00 C
1056
+ ATOM 1055 CB ILE A 134 -3.409 -13.927 -2.453 1.00 0.00 C
1057
+ ATOM 1056 O ILE A 134 -5.937 -14.906 -4.044 1.00 0.00 O
1058
+ ATOM 1057 CG1 ILE A 134 -2.081 -14.251 -1.760 1.00 0.00 C
1059
+ ATOM 1058 CG2 ILE A 134 -3.935 -12.556 -2.017 1.00 0.00 C
1060
+ ATOM 1059 CD1 ILE A 134 -0.918 -13.379 -2.213 1.00 0.00 C
1061
+ ATOM 1060 N ARG A 135 -6.701 -14.255 -1.990 1.00 0.00 N
1062
+ ATOM 1061 CA ARG A 135 -8.002 -13.874 -2.530 1.00 0.00 C
1063
+ ATOM 1062 C ARG A 135 -8.473 -12.549 -1.939 1.00 0.00 C
1064
+ ATOM 1063 CB ARG A 135 -9.038 -14.967 -2.260 1.00 0.00 C
1065
+ ATOM 1064 O ARG A 135 -8.280 -12.290 -0.750 1.00 0.00 O
1066
+ ATOM 1065 CG ARG A 135 -8.812 -16.240 -3.058 1.00 0.00 C
1067
+ ATOM 1066 CD ARG A 135 -9.908 -17.266 -2.805 1.00 0.00 C
1068
+ ATOM 1067 NE ARG A 135 -9.505 -18.603 -3.234 1.00 0.00 N
1069
+ ATOM 1068 NH1 ARG A 135 -11.495 -19.618 -2.643 1.00 0.00 N
1070
+ ATOM 1069 NH2 ARG A 135 -9.801 -20.856 -3.569 1.00 0.00 N
1071
+ ATOM 1070 CZ ARG A 135 -10.268 -19.689 -3.148 1.00 0.00 C
1072
+ ATOM 1071 N LEU A 136 -8.992 -11.746 -2.863 1.00 0.00 N
1073
+ ATOM 1072 CA LEU A 136 -9.675 -10.516 -2.479 1.00 0.00 C
1074
+ ATOM 1073 C LEU A 136 -11.138 -10.548 -2.909 1.00 0.00 C
1075
+ ATOM 1074 CB LEU A 136 -8.976 -9.301 -3.094 1.00 0.00 C
1076
+ ATOM 1075 O LEU A 136 -11.457 -11.023 -4.002 1.00 0.00 O
1077
+ ATOM 1076 CG LEU A 136 -7.513 -9.090 -2.701 1.00 0.00 C
1078
+ ATOM 1077 CD1 LEU A 136 -6.899 -7.967 -3.530 1.00 0.00 C
1079
+ ATOM 1078 CD2 LEU A 136 -7.397 -8.786 -1.212 1.00 0.00 C
1080
+ ATOM 1079 N SER A 137 -12.023 -10.155 -1.975 1.00 0.00 N
1081
+ ATOM 1080 CA SER A 137 -13.440 -10.035 -2.302 1.00 0.00 C
1082
+ ATOM 1081 C SER A 137 -13.921 -8.595 -2.159 1.00 0.00 C
1083
+ ATOM 1082 CB SER A 137 -14.276 -10.951 -1.408 1.00 0.00 C
1084
+ ATOM 1083 O SER A 137 -13.435 -7.855 -1.301 1.00 0.00 O
1085
+ ATOM 1084 OG SER A 137 -14.035 -10.675 -0.039 1.00 0.00 O
1086
+ ATOM 1085 N PHE A 138 -14.846 -8.310 -3.083 1.00 0.00 N
1087
+ ATOM 1086 CA PHE A 138 -15.373 -6.950 -3.091 1.00 0.00 C
1088
+ ATOM 1087 C PHE A 138 -16.895 -6.960 -3.022 1.00 0.00 C
1089
+ ATOM 1088 CB PHE A 138 -14.908 -6.200 -4.343 1.00 0.00 C
1090
+ ATOM 1089 O PHE A 138 -17.531 -7.962 -3.357 1.00 0.00 O
1091
+ ATOM 1090 CG PHE A 138 -13.429 -6.303 -4.599 1.00 0.00 C
1092
+ ATOM 1091 CD1 PHE A 138 -12.535 -5.476 -3.930 1.00 0.00 C
1093
+ ATOM 1092 CD2 PHE A 138 -12.932 -7.226 -5.509 1.00 0.00 C
1094
+ ATOM 1093 CE1 PHE A 138 -11.165 -5.569 -4.164 1.00 0.00 C
1095
+ ATOM 1094 CE2 PHE A 138 -11.565 -7.325 -5.750 1.00 0.00 C
1096
+ ATOM 1095 CZ PHE A 138 -10.683 -6.495 -5.076 1.00 0.00 C
1097
+ ATOM 1096 N ASN A 139 -17.418 -5.787 -2.394 1.00 0.00 N
1098
+ ATOM 1097 CA ASN A 139 -18.841 -5.532 -2.584 1.00 0.00 C
1099
+ ATOM 1098 C ASN A 139 -19.129 -4.963 -3.971 1.00 0.00 C
1100
+ ATOM 1099 CB ASN A 139 -19.365 -4.583 -1.503 1.00 0.00 C
1101
+ ATOM 1100 O ASN A 139 -18.677 -3.867 -4.303 1.00 0.00 O
1102
+ ATOM 1101 CG ASN A 139 -20.880 -4.553 -1.436 1.00 0.00 C
1103
+ ATOM 1102 ND2 ASN A 139 -21.415 -4.175 -0.281 1.00 0.00 N
1104
+ ATOM 1103 OD1 ASN A 139 -21.563 -4.867 -2.415 1.00 0.00 O
1105
+ ATOM 1104 N PRO A 140 -19.914 -5.786 -4.773 1.00 0.00 N
1106
+ ATOM 1105 CA PRO A 140 -20.117 -5.316 -6.146 1.00 0.00 C
1107
+ ATOM 1106 C PRO A 140 -20.872 -3.989 -6.210 1.00 0.00 C
1108
+ ATOM 1107 CB PRO A 140 -20.936 -6.441 -6.784 1.00 0.00 C
1109
+ ATOM 1108 O PRO A 140 -20.835 -3.303 -7.234 1.00 0.00 O
1110
+ ATOM 1109 CG PRO A 140 -20.764 -7.608 -5.867 1.00 0.00 C
1111
+ ATOM 1110 CD PRO A 140 -20.420 -7.092 -4.499 1.00 0.00 C
1112
+ ATOM 1111 N THR A 141 -21.597 -3.675 -5.192 1.00 0.00 N
1113
+ ATOM 1112 CA THR A 141 -22.373 -2.440 -5.158 1.00 0.00 C
1114
+ ATOM 1113 C THR A 141 -21.460 -1.232 -4.976 1.00 0.00 C
1115
+ ATOM 1114 CB THR A 141 -23.421 -2.470 -4.028 1.00 0.00 C
1116
+ ATOM 1115 O THR A 141 -21.861 -0.097 -5.244 1.00 0.00 O
1117
+ ATOM 1116 CG2 THR A 141 -24.450 -3.571 -4.262 1.00 0.00 C
1118
+ ATOM 1117 OG1 THR A 141 -22.760 -2.706 -2.779 1.00 0.00 O
1119
+ ATOM 1118 N GLN A 142 -20.394 -1.408 -4.519 1.00 0.00 N
1120
+ ATOM 1119 CA GLN A 142 -19.557 -0.256 -4.203 1.00 0.00 C
1121
+ ATOM 1120 C GLN A 142 -18.607 0.065 -5.353 1.00 0.00 C
1122
+ ATOM 1121 CB GLN A 142 -18.761 -0.506 -2.921 1.00 0.00 C
1123
+ ATOM 1122 O GLN A 142 -17.401 -0.168 -5.254 1.00 0.00 O
1124
+ ATOM 1123 CG GLN A 142 -19.621 -0.560 -1.665 1.00 0.00 C
1125
+ ATOM 1124 CD GLN A 142 -18.814 -0.852 -0.414 1.00 0.00 C
1126
+ ATOM 1125 NE2 GLN A 142 -19.328 -0.427 0.736 1.00 0.00 N
1127
+ ATOM 1126 OE1 GLN A 142 -17.739 -1.455 -0.479 1.00 0.00 O
1128
+ ATOM 1127 N LEU A 143 -19.164 0.116 -6.572 1.00 0.00 N
1129
+ ATOM 1128 CA LEU A 143 -18.321 0.397 -7.729 1.00 0.00 C
1130
+ ATOM 1129 C LEU A 143 -17.467 1.638 -7.492 1.00 0.00 C
1131
+ ATOM 1130 CB LEU A 143 -19.178 0.586 -8.984 1.00 0.00 C
1132
+ ATOM 1131 O LEU A 143 -16.258 1.618 -7.727 1.00 0.00 O
1133
+ ATOM 1132 CG LEU A 143 -19.376 -0.651 -9.862 1.00 0.00 C
1134
+ ATOM 1133 CD1 LEU A 143 -20.851 -0.827 -10.206 1.00 0.00 C
1135
+ ATOM 1134 CD2 LEU A 143 -18.535 -0.546 -11.130 1.00 0.00 C
1136
+ ATOM 1135 N GLU A 144 -18.238 2.839 -7.480 1.00 0.00 N
1137
+ ATOM 1136 CA GLU A 144 -17.579 4.129 -7.305 1.00 0.00 C
1138
+ ATOM 1137 C GLU A 144 -16.479 4.048 -6.250 1.00 0.00 C
1139
+ ATOM 1138 CB GLU A 144 -18.597 5.205 -6.921 1.00 0.00 C
1140
+ ATOM 1139 O GLU A 144 -15.428 4.677 -6.392 1.00 0.00 O
1141
+ ATOM 1140 CG GLU A 144 -19.537 5.594 -8.053 1.00 0.00 C
1142
+ ATOM 1141 CD GLU A 144 -20.544 6.662 -7.656 1.00 0.00 C
1143
+ ATOM 1142 OE1 GLU A 144 -21.282 7.158 -8.538 1.00 0.00 O
1144
+ ATOM 1143 OE2 GLU A 144 -20.594 7.008 -6.455 1.00 0.00 O
1145
+ ATOM 1144 N GLU A 145 -16.788 3.203 -5.349 1.00 0.00 N
1146
+ ATOM 1145 CA GLU A 145 -15.871 3.179 -4.213 1.00 0.00 C
1147
+ ATOM 1146 C GLU A 145 -14.664 2.289 -4.497 1.00 0.00 C
1148
+ ATOM 1147 CB GLU A 145 -16.591 2.701 -2.949 1.00 0.00 C
1149
+ ATOM 1148 O GLU A 145 -13.588 2.494 -3.933 1.00 0.00 O
1150
+ ATOM 1149 CG GLU A 145 -17.713 3.624 -2.496 1.00 0.00 C
1151
+ ATOM 1150 CD GLU A 145 -18.338 3.203 -1.175 1.00 0.00 C
1152
+ ATOM 1151 OE1 GLU A 145 -19.145 3.977 -0.612 1.00 0.00 O
1153
+ ATOM 1152 OE2 GLU A 145 -18.016 2.092 -0.698 1.00 0.00 O
1154
+ ATOM 1153 N GLN A 146 -15.016 1.449 -5.441 1.00 0.00 N
1155
+ ATOM 1154 CA GLN A 146 -13.895 0.537 -5.645 1.00 0.00 C
1156
+ ATOM 1155 C GLN A 146 -12.666 1.282 -6.160 1.00 0.00 C
1157
+ ATOM 1156 CB GLN A 146 -14.280 -0.577 -6.621 1.00 0.00 C
1158
+ ATOM 1157 O GLN A 146 -11.545 1.017 -5.720 1.00 0.00 O
1159
+ ATOM 1158 CG GLN A 146 -15.286 -1.570 -6.054 1.00 0.00 C
1160
+ ATOM 1159 CD GLN A 146 -15.670 -2.649 -7.050 1.00 0.00 C
1161
+ ATOM 1160 NE2 GLN A 146 -16.607 -3.508 -6.661 1.00 0.00 N
1162
+ ATOM 1161 OE1 GLN A 146 -15.131 -2.710 -8.159 1.00 0.00 O
1163
+ ATOM 1162 N CYS A 147 -12.878 2.063 -7.086 1.00 0.00 N
1164
+ ATOM 1163 CA CYS A 147 -11.765 2.949 -7.404 1.00 0.00 C
1165
+ ATOM 1164 C CYS A 147 -11.967 4.325 -6.780 1.00 0.00 C
1166
+ ATOM 1165 CB CYS A 147 -11.606 3.087 -8.918 1.00 0.00 C
1167
+ ATOM 1166 O CYS A 147 -11.017 5.100 -6.655 1.00 0.00 O
1168
+ ATOM 1167 SG CYS A 147 -9.900 3.351 -9.450 1.00 0.00 S
1169
+ ATOM 1168 N HIS A 148 -13.178 4.904 -6.492 1.00 0.00 N
1170
+ ATOM 1169 CA HIS A 148 -13.423 6.274 -6.057 1.00 0.00 C
1171
+ ATOM 1170 C HIS A 148 -13.139 6.438 -4.567 1.00 0.00 C
1172
+ ATOM 1171 CB HIS A 148 -14.865 6.683 -6.365 1.00 0.00 C
1173
+ ATOM 1172 O HIS A 148 -13.151 7.556 -4.049 1.00 0.00 O
1174
+ ATOM 1173 CG HIS A 148 -15.074 7.127 -7.777 1.00 0.00 C
1175
+ ATOM 1174 CD2 HIS A 148 -15.632 6.492 -8.834 1.00 0.00 C
1176
+ ATOM 1175 ND1 HIS A 148 -14.682 8.366 -8.235 1.00 0.00 N
1177
+ ATOM 1176 CE1 HIS A 148 -14.992 8.475 -9.516 1.00 0.00 C
1178
+ ATOM 1177 NE2 HIS A 148 -15.570 7.351 -9.904 1.00 0.00 N
1179
+ ATOM 1178 N ILE A 149 -12.729 5.305 -3.924 1.00 0.00 N
1180
+ ATOM 1179 CA ILE A 149 -12.561 5.782 -2.555 1.00 0.00 C
1181
+ ATOM 1180 C ILE A 149 -11.272 6.594 -2.447 1.00 0.00 C
1182
+ ATOM 1181 CB ILE A 149 -12.544 4.612 -1.547 1.00 0.00 C
1183
+ ATOM 1182 O ILE A 149 -10.224 6.177 -2.944 1.00 0.00 O
1184
+ ATOM 1183 CG1 ILE A 149 -13.861 3.832 -1.612 1.00 0.00 C
1185
+ ATOM 1184 CG2 ILE A 149 -12.280 5.126 -0.129 1.00 0.00 C
1186
+ ATOM 1185 CD1 ILE A 149 -13.886 2.586 -0.737 1.00 0.00 C
1187
+ ATOM 1186 OXT ILE A 149 -11.910 7.396 -1.804 1.00 0.00 O
1188
+ TER 1187 ILE A 149
1189
+ CONECT 482 1167
1190
+ CONECT 786 836
1191
+ CONECT 836 786
1192
+ CONECT 1167 482
1193
+ END
6qi7/6qi7_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1193 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N VAL A 1 -2.597 -27.857 -17.411 1.00 0.00 N
3
+ ATOM 2 CA VAL A 1 -3.527 -27.491 -18.474 1.00 0.00 C
4
+ ATOM 3 C VAL A 1 -4.851 -27.034 -17.868 1.00 0.00 C
5
+ ATOM 4 CB VAL A 1 -3.764 -28.665 -19.451 1.00 0.00 C
6
+ ATOM 5 O VAL A 1 -5.532 -27.810 -17.192 1.00 0.00 O
7
+ ATOM 6 CG1 VAL A 1 -4.646 -28.226 -20.618 1.00 0.00 C
8
+ ATOM 7 CG2 VAL A 1 -2.432 -29.212 -19.959 1.00 0.00 C
9
+ ATOM 8 N THR A 2 -5.001 -25.666 -17.564 1.00 0.00 N
10
+ ATOM 9 CA THR A 2 -6.220 -25.090 -17.006 1.00 0.00 C
11
+ ATOM 10 C THR A 2 -7.404 -25.318 -17.942 1.00 0.00 C
12
+ ATOM 11 CB THR A 2 -6.056 -23.583 -16.740 1.00 0.00 C
13
+ ATOM 12 O THR A 2 -7.285 -25.141 -19.156 1.00 0.00 O
14
+ ATOM 13 CG2 THR A 2 -7.070 -23.091 -15.713 1.00 0.00 C
15
+ ATOM 14 OG1 THR A 2 -4.733 -23.332 -16.247 1.00 0.00 O
16
+ ATOM 15 N GLN A 3 -8.376 -26.069 -17.546 1.00 0.00 N
17
+ ATOM 16 CA GLN A 3 -9.609 -26.251 -18.304 1.00 0.00 C
18
+ ATOM 17 C GLN A 3 -10.325 -24.920 -18.519 1.00 0.00 C
19
+ ATOM 18 CB GLN A 3 -10.537 -27.238 -17.593 1.00 0.00 C
20
+ ATOM 19 O GLN A 3 -10.457 -24.124 -17.587 1.00 0.00 O
21
+ ATOM 20 CG GLN A 3 -10.160 -28.698 -17.807 1.00 0.00 C
22
+ ATOM 21 CD GLN A 3 -11.166 -29.658 -17.198 1.00 0.00 C
23
+ ATOM 22 NE2 GLN A 3 -10.906 -30.953 -17.334 1.00 0.00 N
24
+ ATOM 23 OE1 GLN A 3 -12.168 -29.237 -16.610 1.00 0.00 O
25
+ ATOM 24 N THR A 4 -10.533 -24.580 -19.773 1.00 0.00 N
26
+ ATOM 25 CA THR A 4 -11.304 -23.399 -20.147 1.00 0.00 C
27
+ ATOM 26 C THR A 4 -12.774 -23.756 -20.350 1.00 0.00 C
28
+ ATOM 27 CB THR A 4 -10.748 -22.752 -21.429 1.00 0.00 C
29
+ ATOM 28 O THR A 4 -13.114 -24.927 -20.535 1.00 0.00 O
30
+ ATOM 29 CG2 THR A 4 -9.293 -22.332 -21.246 1.00 0.00 C
31
+ ATOM 30 OG1 THR A 4 -10.830 -23.693 -22.507 1.00 0.00 O
32
+ ATOM 31 N MET A 5 -13.570 -22.878 -20.162 1.00 0.00 N
33
+ ATOM 32 CA MET A 5 -15.001 -23.061 -20.382 1.00 0.00 C
34
+ ATOM 33 C MET A 5 -15.278 -23.521 -21.809 1.00 0.00 C
35
+ ATOM 34 CB MET A 5 -15.760 -21.764 -20.094 1.00 0.00 C
36
+ ATOM 35 O MET A 5 -14.696 -22.995 -22.759 1.00 0.00 O
37
+ ATOM 36 CG MET A 5 -17.271 -21.915 -20.140 1.00 0.00 C
38
+ ATOM 37 SD MET A 5 -18.147 -20.385 -19.630 1.00 0.00 S
39
+ ATOM 38 CE MET A 5 -19.866 -20.966 -19.688 1.00 0.00 C
40
+ ATOM 39 N LYS A 6 -16.147 -24.492 -21.926 1.00 0.00 N
41
+ ATOM 40 CA LYS A 6 -16.605 -24.932 -23.241 1.00 0.00 C
42
+ ATOM 41 C LYS A 6 -17.841 -24.153 -23.680 1.00 0.00 C
43
+ ATOM 42 CB LYS A 6 -16.907 -26.431 -23.231 1.00 0.00 C
44
+ ATOM 43 O LYS A 6 -18.701 -23.826 -22.858 1.00 0.00 O
45
+ ATOM 44 CG LYS A 6 -15.690 -27.304 -22.959 1.00 0.00 C
46
+ ATOM 45 CD LYS A 6 -16.041 -28.785 -23.023 1.00 0.00 C
47
+ ATOM 46 CE LYS A 6 -14.841 -29.661 -22.687 1.00 0.00 C
48
+ ATOM 47 NZ LYS A 6 -15.179 -31.114 -22.748 1.00 0.00 N
49
+ ATOM 48 N GLY A 7 -17.866 -23.687 -24.853 1.00 0.00 N
50
+ ATOM 49 CA GLY A 7 -19.046 -23.049 -25.412 1.00 0.00 C
51
+ ATOM 50 C GLY A 7 -19.265 -21.639 -24.895 1.00 0.00 C
52
+ ATOM 51 O GLY A 7 -20.405 -21.220 -24.686 1.00 0.00 O
53
+ ATOM 52 N LEU A 8 -18.165 -20.891 -24.633 1.00 0.00 N
54
+ ATOM 53 CA LEU A 8 -18.293 -19.517 -24.160 1.00 0.00 C
55
+ ATOM 54 C LEU A 8 -18.991 -18.647 -25.200 1.00 0.00 C
56
+ ATOM 55 CB LEU A 8 -16.917 -18.933 -23.829 1.00 0.00 C
57
+ ATOM 56 O LEU A 8 -18.604 -18.640 -26.371 1.00 0.00 O
58
+ ATOM 57 CG LEU A 8 -16.895 -17.484 -23.342 1.00 0.00 C
59
+ ATOM 58 CD1 LEU A 8 -17.487 -17.387 -21.939 1.00 0.00 C
60
+ ATOM 59 CD2 LEU A 8 -15.474 -16.931 -23.367 1.00 0.00 C
61
+ ATOM 60 N ASP A 9 -20.084 -18.101 -24.735 1.00 0.00 N
62
+ ATOM 61 CA ASP A 9 -20.729 -17.047 -25.511 1.00 0.00 C
63
+ ATOM 62 C ASP A 9 -20.204 -15.670 -25.110 1.00 0.00 C
64
+ ATOM 63 CB ASP A 9 -22.248 -17.102 -25.334 1.00 0.00 C
65
+ ATOM 64 O ASP A 9 -20.680 -15.077 -24.140 1.00 0.00 O
66
+ ATOM 65 CG ASP A 9 -22.993 -16.210 -26.312 1.00 0.00 C
67
+ ATOM 66 OD1 ASP A 9 -22.365 -15.320 -26.924 1.00 0.00 O
68
+ ATOM 67 OD2 ASP A 9 -24.219 -16.399 -26.470 1.00 0.00 O
69
+ ATOM 68 N ILE A 10 -19.290 -15.229 -25.762 1.00 0.00 N
70
+ ATOM 69 CA ILE A 10 -18.521 -14.045 -25.389 1.00 0.00 C
71
+ ATOM 70 C ILE A 10 -19.431 -12.819 -25.390 1.00 0.00 C
72
+ ATOM 71 CB ILE A 10 -17.325 -13.826 -26.341 1.00 0.00 C
73
+ ATOM 72 O ILE A 10 -19.189 -11.859 -24.654 1.00 0.00 O
74
+ ATOM 73 CG1 ILE A 10 -16.401 -12.730 -25.794 1.00 0.00 C
75
+ ATOM 74 CG2 ILE A 10 -17.812 -13.478 -27.750 1.00 0.00 C
76
+ ATOM 75 CD1 ILE A 10 -15.807 -13.047 -24.429 1.00 0.00 C
77
+ ATOM 76 N GLN A 11 -20.453 -12.751 -26.191 1.00 0.00 N
78
+ ATOM 77 CA GLN A 11 -21.376 -11.625 -26.275 1.00 0.00 C
79
+ ATOM 78 C GLN A 11 -22.088 -11.396 -24.944 1.00 0.00 C
80
+ ATOM 79 CB GLN A 11 -22.401 -11.851 -27.387 1.00 0.00 C
81
+ ATOM 80 O GLN A 11 -22.417 -10.260 -24.597 1.00 0.00 O
82
+ ATOM 81 CG GLN A 11 -21.803 -11.835 -28.787 1.00 0.00 C
83
+ ATOM 82 CD GLN A 11 -22.844 -12.037 -29.872 1.00 0.00 C
84
+ ATOM 83 NE2 GLN A 11 -22.402 -12.042 -31.125 1.00 0.00 N
85
+ ATOM 84 OE1 GLN A 11 -24.036 -12.189 -29.587 1.00 0.00 O
86
+ ATOM 85 N LYS A 12 -22.259 -12.414 -24.223 1.00 0.00 N
87
+ ATOM 86 CA LYS A 12 -23.028 -12.339 -22.985 1.00 0.00 C
88
+ ATOM 87 C LYS A 12 -22.169 -11.821 -21.834 1.00 0.00 C
89
+ ATOM 88 CB LYS A 12 -23.609 -13.708 -22.629 1.00 0.00 C
90
+ ATOM 89 O LYS A 12 -22.668 -11.610 -20.727 1.00 0.00 O
91
+ ATOM 90 CG LYS A 12 -24.715 -14.173 -23.565 1.00 0.00 C
92
+ ATOM 91 CD LYS A 12 -25.341 -15.477 -23.085 1.00 0.00 C
93
+ ATOM 92 CE LYS A 12 -26.455 -15.937 -24.016 1.00 0.00 C
94
+ ATOM 93 NZ LYS A 12 -27.038 -17.241 -23.578 1.00 0.00 N
95
+ ATOM 94 N VAL A 13 -20.905 -11.632 -22.093 1.00 0.00 N
96
+ ATOM 95 CA VAL A 13 -20.019 -11.161 -21.034 1.00 0.00 C
97
+ ATOM 96 C VAL A 13 -19.985 -9.634 -21.031 1.00 0.00 C
98
+ ATOM 97 CB VAL A 13 -18.590 -11.726 -21.196 1.00 0.00 C
99
+ ATOM 98 O VAL A 13 -19.413 -9.023 -20.125 1.00 0.00 O
100
+ ATOM 99 CG1 VAL A 13 -18.575 -13.235 -20.955 1.00 0.00 C
101
+ ATOM 100 CG2 VAL A 13 -18.042 -11.397 -22.583 1.00 0.00 C
102
+ ATOM 101 N ALA A 14 -20.630 -9.026 -22.016 1.00 0.00 N
103
+ ATOM 102 CA ALA A 14 -20.644 -7.571 -22.139 1.00 0.00 C
104
+ ATOM 103 C ALA A 14 -21.230 -6.921 -20.890 1.00 0.00 C
105
+ ATOM 104 CB ALA A 14 -21.435 -7.149 -23.375 1.00 0.00 C
106
+ ATOM 105 O ALA A 14 -22.052 -7.524 -20.195 1.00 0.00 O
107
+ ATOM 106 N GLY A 15 -20.720 -5.738 -20.592 1.00 0.00 N
108
+ ATOM 107 CA GLY A 15 -21.203 -5.004 -19.433 1.00 0.00 C
109
+ ATOM 108 C GLY A 15 -20.143 -4.810 -18.365 1.00 0.00 C
110
+ ATOM 109 O GLY A 15 -18.953 -5.000 -18.623 1.00 0.00 O
111
+ ATOM 110 N THR A 16 -20.675 -4.455 -17.211 1.00 0.00 N
112
+ ATOM 111 CA THR A 16 -19.802 -4.051 -16.114 1.00 0.00 C
113
+ ATOM 112 C THR A 16 -19.530 -5.224 -15.178 1.00 0.00 C
114
+ ATOM 113 CB THR A 16 -20.413 -2.884 -15.315 1.00 0.00 C
115
+ ATOM 114 O THR A 16 -20.444 -5.978 -14.837 1.00 0.00 O
116
+ ATOM 115 CG2 THR A 16 -19.458 -2.403 -14.228 1.00 0.00 C
117
+ ATOM 116 OG1 THR A 16 -20.694 -1.797 -16.206 1.00 0.00 O
118
+ ATOM 117 N TRP A 17 -18.262 -5.304 -14.846 1.00 0.00 N
119
+ ATOM 118 CA TRP A 17 -17.823 -6.308 -13.882 1.00 0.00 C
120
+ ATOM 119 C TRP A 17 -16.952 -5.680 -12.800 1.00 0.00 C
121
+ ATOM 120 CB TRP A 17 -17.054 -7.430 -14.587 1.00 0.00 C
122
+ ATOM 121 O TRP A 17 -16.179 -4.758 -13.074 1.00 0.00 O
123
+ ATOM 122 CG TRP A 17 -17.863 -8.178 -15.603 1.00 0.00 C
124
+ ATOM 123 CD1 TRP A 17 -18.014 -7.870 -16.927 1.00 0.00 C
125
+ ATOM 124 CD2 TRP A 17 -18.640 -9.359 -15.376 1.00 0.00 C
126
+ ATOM 125 CE2 TRP A 17 -19.234 -9.712 -16.608 1.00 0.00 C
127
+ ATOM 126 CE3 TRP A 17 -18.890 -10.153 -14.250 1.00 0.00 C
128
+ ATOM 127 NE1 TRP A 17 -18.836 -8.788 -17.537 1.00 0.00 N
129
+ ATOM 128 CH2 TRP A 17 -20.291 -11.588 -15.627 1.00 0.00 C
130
+ ATOM 129 CZ2 TRP A 17 -20.063 -10.828 -16.744 1.00 0.00 C
131
+ ATOM 130 CZ3 TRP A 17 -19.715 -11.263 -14.387 1.00 0.00 C
132
+ ATOM 131 N TYR A 18 -17.028 -6.194 -11.557 1.00 0.00 N
133
+ ATOM 132 CA TYR A 18 -16.256 -5.734 -10.407 1.00 0.00 C
134
+ ATOM 133 C TYR A 18 -15.372 -6.851 -9.864 1.00 0.00 C
135
+ ATOM 134 CB TYR A 18 -17.187 -5.223 -9.304 1.00 0.00 C
136
+ ATOM 135 O TYR A 18 -15.793 -8.008 -9.795 1.00 0.00 O
137
+ ATOM 136 CG TYR A 18 -18.054 -4.064 -9.732 1.00 0.00 C
138
+ ATOM 137 CD1 TYR A 18 -17.665 -2.749 -9.486 1.00 0.00 C
139
+ ATOM 138 CD2 TYR A 18 -19.265 -4.282 -10.380 1.00 0.00 C
140
+ ATOM 139 CE1 TYR A 18 -18.463 -1.678 -9.876 1.00 0.00 C
141
+ ATOM 140 CE2 TYR A 18 -20.070 -3.219 -10.775 1.00 0.00 C
142
+ ATOM 141 OH TYR A 18 -20.455 -0.866 -10.908 1.00 0.00 O
143
+ ATOM 142 CZ TYR A 18 -19.662 -1.922 -10.519 1.00 0.00 C
144
+ ATOM 143 N SER A 19 -14.157 -6.466 -9.560 1.00 0.00 N
145
+ ATOM 144 CA SER A 19 -13.264 -7.470 -8.988 1.00 0.00 C
146
+ ATOM 145 C SER A 19 -13.714 -7.878 -7.590 1.00 0.00 C
147
+ ATOM 146 CB SER A 19 -11.829 -6.943 -8.939 1.00 0.00 C
148
+ ATOM 147 O SER A 19 -14.040 -7.023 -6.763 1.00 0.00 O
149
+ ATOM 148 OG SER A 19 -11.745 -5.788 -8.124 1.00 0.00 O
150
+ ATOM 149 N LEU A 20 -13.756 -9.161 -7.325 1.00 0.00 N
151
+ ATOM 150 CA LEU A 20 -14.164 -9.700 -6.032 1.00 0.00 C
152
+ ATOM 151 C LEU A 20 -13.008 -10.430 -5.358 1.00 0.00 C
153
+ ATOM 152 CB LEU A 20 -15.355 -10.647 -6.197 1.00 0.00 C
154
+ ATOM 153 O LEU A 20 -12.834 -10.337 -4.140 1.00 0.00 O
155
+ ATOM 154 CG LEU A 20 -15.878 -11.308 -4.921 1.00 0.00 C
156
+ ATOM 155 CD1 LEU A 20 -16.405 -10.254 -3.955 1.00 0.00 C
157
+ ATOM 156 CD2 LEU A 20 -16.962 -12.328 -5.252 1.00 0.00 C
158
+ ATOM 157 N ALA A 21 -12.226 -11.119 -6.152 1.00 0.00 N
159
+ ATOM 158 CA ALA A 21 -11.117 -11.884 -5.588 1.00 0.00 C
160
+ ATOM 159 C ALA A 21 -10.040 -12.145 -6.637 1.00 0.00 C
161
+ ATOM 160 CB ALA A 21 -11.621 -13.204 -5.009 1.00 0.00 C
162
+ ATOM 161 O ALA A 21 -10.314 -12.107 -7.839 1.00 0.00 O
163
+ ATOM 162 N MET A 22 -8.844 -12.412 -6.107 1.00 0.00 N
164
+ ATOM 163 CA MET A 22 -7.689 -12.779 -6.921 1.00 0.00 C
165
+ ATOM 164 C MET A 22 -6.873 -13.875 -6.244 1.00 0.00 C
166
+ ATOM 165 CB MET A 22 -6.806 -11.559 -7.187 1.00 0.00 C
167
+ ATOM 166 O MET A 22 -6.877 -13.991 -5.017 1.00 0.00 O
168
+ ATOM 167 CG MET A 22 -7.522 -10.431 -7.912 1.00 0.00 C
169
+ ATOM 168 SD MET A 22 -6.439 -8.977 -8.195 1.00 0.00 S
170
+ ATOM 169 CE MET A 22 -7.629 -7.834 -8.949 1.00 0.00 C
171
+ ATOM 170 N ALA A 23 -6.288 -14.604 -7.039 1.00 0.00 N
172
+ ATOM 171 CA ALA A 23 -5.379 -15.643 -6.562 1.00 0.00 C
173
+ ATOM 172 C ALA A 23 -4.149 -15.751 -7.457 1.00 0.00 C
174
+ ATOM 173 CB ALA A 23 -6.101 -16.988 -6.490 1.00 0.00 C
175
+ ATOM 174 O ALA A 23 -4.238 -15.550 -8.671 1.00 0.00 O
176
+ ATOM 175 N ALA A 24 -2.991 -15.991 -6.792 1.00 0.00 N
177
+ ATOM 176 CA ALA A 24 -1.748 -16.123 -7.549 1.00 0.00 C
178
+ ATOM 177 C ALA A 24 -0.815 -17.140 -6.898 1.00 0.00 C
179
+ ATOM 178 CB ALA A 24 -1.055 -14.769 -7.673 1.00 0.00 C
180
+ ATOM 179 O ALA A 24 -0.958 -17.453 -5.714 1.00 0.00 O
181
+ ATOM 180 N SER A 25 0.075 -17.624 -7.685 1.00 0.00 N
182
+ ATOM 181 CA SER A 25 1.070 -18.558 -7.167 1.00 0.00 C
183
+ ATOM 182 C SER A 25 2.145 -17.831 -6.366 1.00 0.00 C
184
+ ATOM 183 CB SER A 25 1.717 -19.340 -8.311 1.00 0.00 C
185
+ ATOM 184 O SER A 25 2.763 -18.414 -5.473 1.00 0.00 O
186
+ ATOM 185 OG SER A 25 2.293 -18.460 -9.259 1.00 0.00 O
187
+ ATOM 186 N ASP A 26 2.336 -16.580 -6.752 1.00 0.00 N
188
+ ATOM 187 CA ASP A 26 3.363 -15.734 -6.151 1.00 0.00 C
189
+ ATOM 188 C ASP A 26 2.826 -14.332 -5.875 1.00 0.00 C
190
+ ATOM 189 CB ASP A 26 4.593 -15.657 -7.059 1.00 0.00 C
191
+ ATOM 190 O ASP A 26 2.139 -13.747 -6.715 1.00 0.00 O
192
+ ATOM 191 CG ASP A 26 5.766 -14.948 -6.407 1.00 0.00 C
193
+ ATOM 192 OD1 ASP A 26 5.651 -13.746 -6.085 1.00 0.00 O
194
+ ATOM 193 OD2 ASP A 26 6.819 -15.596 -6.218 1.00 0.00 O
195
+ ATOM 194 N ILE A 27 3.055 -13.836 -4.670 1.00 0.00 N
196
+ ATOM 195 CA ILE A 27 2.526 -12.541 -4.256 1.00 0.00 C
197
+ ATOM 196 C ILE A 27 3.010 -11.455 -5.214 1.00 0.00 C
198
+ ATOM 197 CB ILE A 27 2.936 -12.199 -2.807 1.00 0.00 C
199
+ ATOM 198 O ILE A 27 2.341 -10.435 -5.396 1.00 0.00 O
200
+ ATOM 199 CG1 ILE A 27 2.107 -11.021 -2.279 1.00 0.00 C
201
+ ATOM 200 CG2 ILE A 27 4.434 -11.893 -2.727 1.00 0.00 C
202
+ ATOM 201 CD1 ILE A 27 1.590 -11.215 -0.860 1.00 0.00 C
203
+ ATOM 202 N SER A 28 4.193 -11.597 -5.714 1.00 0.00 N
204
+ ATOM 203 CA SER A 28 4.735 -10.594 -6.624 1.00 0.00 C
205
+ ATOM 204 C SER A 28 3.844 -10.422 -7.850 1.00 0.00 C
206
+ ATOM 205 CB SER A 28 6.149 -10.976 -7.064 1.00 0.00 C
207
+ ATOM 206 O SER A 28 3.900 -9.392 -8.525 1.00 0.00 O
208
+ ATOM 207 OG SER A 28 6.136 -12.177 -7.817 1.00 0.00 O
209
+ ATOM 208 N LEU A 29 3.048 -11.450 -8.070 1.00 0.00 N
210
+ ATOM 209 CA LEU A 29 2.159 -11.394 -9.226 1.00 0.00 C
211
+ ATOM 210 C LEU A 29 0.928 -10.548 -8.924 1.00 0.00 C
212
+ ATOM 211 CB LEU A 29 1.735 -12.804 -9.645 1.00 0.00 C
213
+ ATOM 212 O LEU A 29 0.181 -10.182 -9.835 1.00 0.00 O
214
+ ATOM 213 CG LEU A 29 2.846 -13.722 -10.158 1.00 0.00 C
215
+ ATOM 214 CD1 LEU A 29 2.316 -15.139 -10.351 1.00 0.00 C
216
+ ATOM 215 CD2 LEU A 29 3.428 -13.181 -11.460 1.00 0.00 C
217
+ ATOM 216 N LEU A 30 0.717 -10.426 -7.563 1.00 0.00 N
218
+ ATOM 217 CA LEU A 30 -0.441 -9.653 -7.130 1.00 0.00 C
219
+ ATOM 218 C LEU A 30 -0.072 -8.187 -6.928 1.00 0.00 C
220
+ ATOM 219 CB LEU A 30 -1.016 -10.230 -5.833 1.00 0.00 C
221
+ ATOM 220 O LEU A 30 -0.946 -7.349 -6.692 1.00 0.00 O
222
+ ATOM 221 CG LEU A 30 -1.536 -11.666 -5.902 1.00 0.00 C
223
+ ATOM 222 CD1 LEU A 30 -2.005 -12.127 -4.527 1.00 0.00 C
224
+ ATOM 223 CD2 LEU A 30 -2.663 -11.780 -6.923 1.00 0.00 C
225
+ ATOM 224 N ASP A 31 1.216 -7.867 -7.181 1.00 0.00 N
226
+ ATOM 225 CA ASP A 31 1.581 -6.453 -7.202 1.00 0.00 C
227
+ ATOM 226 C ASP A 31 0.521 -5.622 -7.920 1.00 0.00 C
228
+ ATOM 227 CB ASP A 31 2.943 -6.261 -7.872 1.00 0.00 C
229
+ ATOM 228 O ASP A 31 -0.545 -6.135 -8.270 1.00 0.00 O
230
+ ATOM 229 CG ASP A 31 3.942 -5.534 -6.989 1.00 0.00 C
231
+ ATOM 230 OD1 ASP A 31 3.547 -5.012 -5.923 1.00 0.00 O
232
+ ATOM 231 OD2 ASP A 31 5.134 -5.481 -7.361 1.00 0.00 O
233
+ ATOM 232 N ALA A 32 0.555 -4.265 -7.798 1.00 0.00 N
234
+ ATOM 233 CA ALA A 32 -0.209 -3.167 -8.385 1.00 0.00 C
235
+ ATOM 234 C ALA A 32 -1.607 -3.625 -8.789 1.00 0.00 C
236
+ ATOM 235 CB ALA A 32 0.529 -2.592 -9.592 1.00 0.00 C
237
+ ATOM 236 O ALA A 32 -2.525 -2.810 -8.904 1.00 0.00 O
238
+ ATOM 237 N GLN A 33 -1.918 -4.871 -8.766 1.00 0.00 N
239
+ ATOM 238 CA GLN A 33 -3.229 -5.399 -9.126 1.00 0.00 C
240
+ ATOM 239 C GLN A 33 -4.074 -5.666 -7.882 1.00 0.00 C
241
+ ATOM 240 CB GLN A 33 -3.086 -6.681 -9.947 1.00 0.00 C
242
+ ATOM 241 O GLN A 33 -5.220 -6.107 -7.986 1.00 0.00 O
243
+ ATOM 242 CG GLN A 33 -2.478 -6.463 -11.326 1.00 0.00 C
244
+ ATOM 243 CD GLN A 33 -2.562 -7.695 -12.207 1.00 0.00 C
245
+ ATOM 244 NE2 GLN A 33 -2.084 -7.576 -13.441 1.00 0.00 N
246
+ ATOM 245 OE1 GLN A 33 -3.052 -8.746 -11.781 1.00 0.00 O
247
+ ATOM 246 N SER A 34 -3.489 -5.285 -6.817 1.00 0.00 N
248
+ ATOM 247 CA SER A 34 -4.225 -5.669 -5.617 1.00 0.00 C
249
+ ATOM 248 C SER A 34 -5.201 -4.577 -5.193 1.00 0.00 C
250
+ ATOM 249 CB SER A 34 -3.260 -5.974 -4.471 1.00 0.00 C
251
+ ATOM 250 O SER A 34 -5.444 -4.383 -4.000 1.00 0.00 O
252
+ ATOM 251 OG SER A 34 -2.188 -5.047 -4.456 1.00 0.00 O
253
+ ATOM 252 N ALA A 35 -5.512 -3.768 -6.136 1.00 0.00 N
254
+ ATOM 253 CA ALA A 35 -6.609 -2.865 -5.801 1.00 0.00 C
255
+ ATOM 254 C ALA A 35 -7.888 -3.259 -6.533 1.00 0.00 C
256
+ ATOM 255 CB ALA A 35 -6.232 -1.423 -6.132 1.00 0.00 C
257
+ ATOM 256 O ALA A 35 -7.835 -3.841 -7.618 1.00 0.00 O
258
+ ATOM 257 N PRO A 36 -9.082 -3.072 -5.805 1.00 0.00 N
259
+ ATOM 258 CA PRO A 36 -10.334 -3.284 -6.535 1.00 0.00 C
260
+ ATOM 259 C PRO A 36 -10.403 -2.484 -7.833 1.00 0.00 C
261
+ ATOM 260 CB PRO A 36 -11.402 -2.813 -5.545 1.00 0.00 C
262
+ ATOM 261 O PRO A 36 -9.831 -1.394 -7.923 1.00 0.00 O
263
+ ATOM 262 CG PRO A 36 -10.645 -2.079 -4.486 1.00 0.00 C
264
+ ATOM 263 CD PRO A 36 -9.182 -2.366 -4.660 1.00 0.00 C
265
+ ATOM 264 N TYR A 37 -10.811 -3.144 -8.838 1.00 0.00 N
266
+ ATOM 265 CA TYR A 37 -11.020 -2.458 -10.108 1.00 0.00 C
267
+ ATOM 266 C TYR A 37 -12.384 -2.800 -10.696 1.00 0.00 C
268
+ ATOM 267 CB TYR A 37 -9.915 -2.823 -11.105 1.00 0.00 C
269
+ ATOM 268 O TYR A 37 -13.059 -3.716 -10.222 1.00 0.00 O
270
+ ATOM 269 CG TYR A 37 -9.897 -4.286 -11.479 1.00 0.00 C
271
+ ATOM 270 CD1 TYR A 37 -9.094 -5.192 -10.789 1.00 0.00 C
272
+ ATOM 271 CD2 TYR A 37 -10.679 -4.764 -12.525 1.00 0.00 C
273
+ ATOM 272 CE1 TYR A 37 -9.071 -6.540 -11.133 1.00 0.00 C
274
+ ATOM 273 CE2 TYR A 37 -10.666 -6.110 -12.877 1.00 0.00 C
275
+ ATOM 274 OH TYR A 37 -9.841 -8.322 -12.520 1.00 0.00 O
276
+ ATOM 275 CZ TYR A 37 -9.860 -6.989 -12.176 1.00 0.00 C
277
+ ATOM 276 N ARG A 38 -12.728 -2.105 -11.618 1.00 0.00 N
278
+ ATOM 277 CA ARG A 38 -13.937 -2.306 -12.410 1.00 0.00 C
279
+ ATOM 278 C ARG A 38 -13.607 -2.416 -13.894 1.00 0.00 C
280
+ ATOM 279 CB ARG A 38 -14.928 -1.163 -12.176 1.00 0.00 C
281
+ ATOM 280 O ARG A 38 -12.742 -1.697 -14.399 1.00 0.00 O
282
+ ATOM 281 CG ARG A 38 -16.184 -1.254 -13.029 1.00 0.00 C
283
+ ATOM 282 CD ARG A 38 -17.182 -0.158 -12.682 1.00 0.00 C
284
+ ATOM 283 NE ARG A 38 -16.673 1.165 -13.037 1.00 0.00 N
285
+ ATOM 284 NH1 ARG A 38 -18.136 2.320 -11.671 1.00 0.00 N
286
+ ATOM 285 NH2 ARG A 38 -16.602 3.458 -12.940 1.00 0.00 N
287
+ ATOM 286 CZ ARG A 38 -17.138 2.311 -12.548 1.00 0.00 C
288
+ ATOM 287 N VAL A 39 -14.271 -3.275 -14.544 1.00 0.00 N
289
+ ATOM 288 CA VAL A 39 -14.059 -3.419 -15.979 1.00 0.00 C
290
+ ATOM 289 C VAL A 39 -15.391 -3.288 -16.715 1.00 0.00 C
291
+ ATOM 290 CB VAL A 39 -13.392 -4.770 -16.323 1.00 0.00 C
292
+ ATOM 291 O VAL A 39 -16.423 -3.756 -16.230 1.00 0.00 O
293
+ ATOM 292 CG1 VAL A 39 -11.990 -4.848 -15.720 1.00 0.00 C
294
+ ATOM 293 CG2 VAL A 39 -14.254 -5.930 -15.831 1.00 0.00 C
295
+ ATOM 294 N TYR A 40 -15.348 -2.604 -17.751 1.00 0.00 N
296
+ ATOM 295 CA TYR A 40 -16.462 -2.570 -18.693 1.00 0.00 C
297
+ ATOM 296 C TYR A 40 -16.085 -3.243 -20.007 1.00 0.00 C
298
+ ATOM 297 CB TYR A 40 -16.904 -1.127 -18.952 1.00 0.00 C
299
+ ATOM 298 O TYR A 40 -15.179 -2.786 -20.708 1.00 0.00 O
300
+ ATOM 299 CG TYR A 40 -18.097 -1.013 -19.869 1.00 0.00 C
301
+ ATOM 300 CD1 TYR A 40 -19.376 -1.339 -19.423 1.00 0.00 C
302
+ ATOM 301 CD2 TYR A 40 -17.949 -0.580 -21.182 1.00 0.00 C
303
+ ATOM 302 CE1 TYR A 40 -20.479 -1.237 -20.264 1.00 0.00 C
304
+ ATOM 303 CE2 TYR A 40 -19.044 -0.474 -22.033 1.00 0.00 C
305
+ ATOM 304 OH TYR A 40 -21.391 -0.702 -22.402 1.00 0.00 O
306
+ ATOM 305 CZ TYR A 40 -20.303 -0.804 -21.565 1.00 0.00 C
307
+ ATOM 306 N VAL A 41 -16.751 -4.325 -20.226 1.00 0.00 N
308
+ ATOM 307 CA VAL A 41 -16.552 -5.037 -21.484 1.00 0.00 C
309
+ ATOM 308 C VAL A 41 -17.518 -4.501 -22.539 1.00 0.00 C
310
+ ATOM 309 CB VAL A 41 -16.742 -6.560 -21.311 1.00 0.00 C
311
+ ATOM 310 O VAL A 41 -18.737 -4.584 -22.372 1.00 0.00 O
312
+ ATOM 311 CG1 VAL A 41 -16.498 -7.288 -22.632 1.00 0.00 C
313
+ ATOM 312 CG2 VAL A 41 -15.813 -7.092 -20.223 1.00 0.00 C
314
+ ATOM 313 N GLU A 42 -16.941 -3.951 -23.539 1.00 0.00 N
315
+ ATOM 314 CA GLU A 42 -17.770 -3.436 -24.625 1.00 0.00 C
316
+ ATOM 315 C GLU A 42 -18.314 -4.569 -25.490 1.00 0.00 C
317
+ ATOM 316 CB GLU A 42 -16.976 -2.450 -25.486 1.00 0.00 C
318
+ ATOM 317 O GLU A 42 -17.858 -5.710 -25.387 1.00 0.00 O
319
+ ATOM 318 CG GLU A 42 -16.593 -1.169 -24.761 1.00 0.00 C
320
+ ATOM 319 CD GLU A 42 -16.079 -0.083 -25.693 1.00 0.00 C
321
+ ATOM 320 OE1 GLU A 42 -15.973 -0.332 -26.915 1.00 0.00 O
322
+ ATOM 321 OE2 GLU A 42 -15.781 1.026 -25.196 1.00 0.00 O
323
+ ATOM 322 N GLU A 43 -19.223 -4.269 -26.320 1.00 0.00 N
324
+ ATOM 323 CA GLU A 43 -19.754 -5.248 -27.264 1.00 0.00 C
325
+ ATOM 324 C GLU A 43 -18.682 -5.702 -28.249 1.00 0.00 C
326
+ ATOM 325 CB GLU A 43 -20.953 -4.670 -28.020 1.00 0.00 C
327
+ ATOM 326 O GLU A 43 -17.741 -4.960 -28.538 1.00 0.00 O
328
+ ATOM 327 CG GLU A 43 -22.179 -4.442 -27.147 1.00 0.00 C
329
+ ATOM 328 CD GLU A 43 -23.388 -3.951 -27.928 1.00 0.00 C
330
+ ATOM 329 OE1 GLU A 43 -23.267 -3.719 -29.152 1.00 0.00 O
331
+ ATOM 330 OE2 GLU A 43 -24.464 -3.796 -27.310 1.00 0.00 O
332
+ ATOM 331 N LEU A 44 -18.847 -6.915 -28.593 1.00 0.00 N
333
+ ATOM 332 CA LEU A 44 -17.901 -7.580 -29.482 1.00 0.00 C
334
+ ATOM 333 C LEU A 44 -17.664 -6.753 -30.741 1.00 0.00 C
335
+ ATOM 334 CB LEU A 44 -18.410 -8.973 -29.861 1.00 0.00 C
336
+ ATOM 335 O LEU A 44 -18.615 -6.270 -31.359 1.00 0.00 O
337
+ ATOM 336 CG LEU A 44 -17.403 -9.903 -30.539 1.00 0.00 C
338
+ ATOM 337 CD1 LEU A 44 -16.358 -10.377 -29.533 1.00 0.00 C
339
+ ATOM 338 CD2 LEU A 44 -18.115 -11.090 -31.178 1.00 0.00 C
340
+ ATOM 339 N LYS A 45 -16.370 -6.677 -31.105 1.00 0.00 N
341
+ ATOM 340 CA LYS A 45 -15.992 -6.068 -32.377 1.00 0.00 C
342
+ ATOM 341 C LYS A 45 -16.157 -7.055 -33.529 1.00 0.00 C
343
+ ATOM 342 CB LYS A 45 -14.550 -5.563 -32.323 1.00 0.00 C
344
+ ATOM 343 O LYS A 45 -16.185 -8.269 -33.315 1.00 0.00 O
345
+ ATOM 344 CG LYS A 45 -14.305 -4.504 -31.259 1.00 0.00 C
346
+ ATOM 345 CD LYS A 45 -14.842 -3.144 -31.688 1.00 0.00 C
347
+ ATOM 346 CE LYS A 45 -14.517 -2.065 -30.665 1.00 0.00 C
348
+ ATOM 347 NZ LYS A 45 -15.075 -0.738 -31.064 1.00 0.00 N
349
+ ATOM 348 N PRO A 46 -16.286 -6.560 -34.692 1.00 0.00 N
350
+ ATOM 349 CA PRO A 46 -16.404 -7.460 -35.843 1.00 0.00 C
351
+ ATOM 350 C PRO A 46 -15.245 -8.449 -35.939 1.00 0.00 C
352
+ ATOM 351 CB PRO A 46 -16.408 -6.505 -37.039 1.00 0.00 C
353
+ ATOM 352 O PRO A 46 -15.415 -9.557 -36.456 1.00 0.00 O
354
+ ATOM 353 CG PRO A 46 -16.874 -5.198 -36.483 1.00 0.00 C
355
+ ATOM 354 CD PRO A 46 -16.444 -5.111 -35.046 1.00 0.00 C
356
+ ATOM 355 N THR A 47 -14.094 -8.088 -35.472 1.00 0.00 N
357
+ ATOM 356 CA THR A 47 -12.912 -8.942 -35.515 1.00 0.00 C
358
+ ATOM 357 C THR A 47 -13.021 -10.067 -34.488 1.00 0.00 C
359
+ ATOM 358 CB THR A 47 -11.628 -8.131 -35.258 1.00 0.00 C
360
+ ATOM 359 O THR A 47 -12.246 -11.025 -34.526 1.00 0.00 O
361
+ ATOM 360 CG2 THR A 47 -11.380 -7.126 -36.376 1.00 0.00 C
362
+ ATOM 361 OG1 THR A 47 -11.756 -7.427 -34.016 1.00 0.00 O
363
+ ATOM 362 N GLY A 48 -14.018 -9.915 -33.584 1.00 0.00 N
364
+ ATOM 363 CA GLY A 48 -14.163 -10.892 -32.519 1.00 0.00 C
365
+ ATOM 364 C GLY A 48 -13.394 -10.525 -31.263 1.00 0.00 C
366
+ ATOM 365 O GLY A 48 -13.417 -11.264 -30.276 1.00 0.00 O
367
+ ATOM 366 N ASP A 49 -12.667 -9.411 -31.316 1.00 0.00 N
368
+ ATOM 367 CA ASP A 49 -11.915 -8.901 -30.173 1.00 0.00 C
369
+ ATOM 368 C ASP A 49 -12.840 -8.222 -29.165 1.00 0.00 C
370
+ ATOM 369 CB ASP A 49 -10.832 -7.924 -30.635 1.00 0.00 C
371
+ ATOM 370 O ASP A 49 -13.900 -7.712 -29.534 1.00 0.00 O
372
+ ATOM 371 CG ASP A 49 -9.856 -8.543 -31.619 1.00 0.00 C
373
+ ATOM 372 OD1 ASP A 49 -9.827 -9.785 -31.750 1.00 0.00 O
374
+ ATOM 373 OD2 ASP A 49 -9.104 -7.781 -32.266 1.00 0.00 O
375
+ ATOM 374 N LEU A 50 -12.334 -8.188 -27.962 1.00 0.00 N
376
+ ATOM 375 CA LEU A 50 -13.059 -7.489 -26.906 1.00 0.00 C
377
+ ATOM 376 C LEU A 50 -12.366 -6.179 -26.547 1.00 0.00 C
378
+ ATOM 377 CB LEU A 50 -13.182 -8.374 -25.663 1.00 0.00 C
379
+ ATOM 378 O LEU A 50 -11.146 -6.145 -26.372 1.00 0.00 O
380
+ ATOM 379 CG LEU A 50 -13.974 -9.672 -25.830 1.00 0.00 C
381
+ ATOM 380 CD1 LEU A 50 -13.844 -10.536 -24.581 1.00 0.00 C
382
+ ATOM 381 CD2 LEU A 50 -15.439 -9.370 -26.128 1.00 0.00 C
383
+ ATOM 382 N GLU A 51 -13.141 -5.195 -26.565 1.00 0.00 N
384
+ ATOM 383 CA GLU A 51 -12.649 -3.941 -26.001 1.00 0.00 C
385
+ ATOM 384 C GLU A 51 -13.086 -3.781 -24.548 1.00 0.00 C
386
+ ATOM 385 CB GLU A 51 -13.136 -2.750 -26.830 1.00 0.00 C
387
+ ATOM 386 O GLU A 51 -14.278 -3.853 -24.241 1.00 0.00 O
388
+ ATOM 387 CG GLU A 51 -12.483 -1.429 -26.452 1.00 0.00 C
389
+ ATOM 388 CD GLU A 51 -12.795 -0.304 -27.428 1.00 0.00 C
390
+ ATOM 389 OE1 GLU A 51 -12.784 -0.546 -28.656 1.00 0.00 O
391
+ ATOM 390 OE2 GLU A 51 -13.050 0.827 -26.960 1.00 0.00 O
392
+ ATOM 391 N ILE A 52 -12.074 -3.549 -23.676 1.00 0.00 N
393
+ ATOM 392 CA ILE A 52 -12.319 -3.509 -22.238 1.00 0.00 C
394
+ ATOM 393 C ILE A 52 -11.837 -2.177 -21.670 1.00 0.00 C
395
+ ATOM 394 CB ILE A 52 -11.626 -4.683 -21.514 1.00 0.00 C
396
+ ATOM 395 O ILE A 52 -10.734 -1.723 -21.987 1.00 0.00 O
397
+ ATOM 396 CG1 ILE A 52 -12.156 -6.023 -22.040 1.00 0.00 C
398
+ ATOM 397 CG2 ILE A 52 -11.821 -4.575 -19.999 1.00 0.00 C
399
+ ATOM 398 CD1 ILE A 52 -11.313 -7.225 -21.633 1.00 0.00 C
400
+ ATOM 399 N LEU A 53 -12.684 -1.597 -20.986 1.00 0.00 N
401
+ ATOM 400 CA LEU A 53 -12.280 -0.440 -20.193 1.00 0.00 C
402
+ ATOM 401 C LEU A 53 -12.033 -0.836 -18.741 1.00 0.00 C
403
+ ATOM 402 CB LEU A 53 -13.346 0.656 -20.262 1.00 0.00 C
404
+ ATOM 403 O LEU A 53 -12.943 -1.312 -18.060 1.00 0.00 O
405
+ ATOM 404 CG LEU A 53 -12.988 1.993 -19.611 1.00 0.00 C
406
+ ATOM 405 CD1 LEU A 53 -11.842 2.659 -20.367 1.00 0.00 C
407
+ ATOM 406 CD2 LEU A 53 -14.206 2.908 -19.560 1.00 0.00 C
408
+ ATOM 407 N LEU A 54 -10.806 -0.649 -18.336 1.00 0.00 N
409
+ ATOM 408 CA LEU A 54 -10.406 -0.960 -16.968 1.00 0.00 C
410
+ ATOM 409 C LEU A 54 -10.275 0.313 -16.139 1.00 0.00 C
411
+ ATOM 410 CB LEU A 54 -9.082 -1.728 -16.959 1.00 0.00 C
412
+ ATOM 411 O LEU A 54 -9.590 1.254 -16.543 1.00 0.00 O
413
+ ATOM 412 CG LEU A 54 -8.553 -2.151 -15.588 1.00 0.00 C
414
+ ATOM 413 CD1 LEU A 54 -9.322 -3.364 -15.074 1.00 0.00 C
415
+ ATOM 414 CD2 LEU A 54 -7.059 -2.449 -15.658 1.00 0.00 C
416
+ ATOM 415 N GLN A 55 -10.926 0.277 -15.021 1.00 0.00 N
417
+ ATOM 416 CA GLN A 55 -10.845 1.394 -14.086 1.00 0.00 C
418
+ ATOM 417 C GLN A 55 -10.342 0.934 -12.721 1.00 0.00 C
419
+ ATOM 418 CB GLN A 55 -12.207 2.075 -13.942 1.00 0.00 C
420
+ ATOM 419 O GLN A 55 -10.836 -0.054 -12.173 1.00 0.00 O
421
+ ATOM 420 CG GLN A 55 -12.131 3.494 -13.395 1.00 0.00 C
422
+ ATOM 421 CD GLN A 55 -13.476 4.196 -13.397 1.00 0.00 C
423
+ ATOM 422 NE2 GLN A 55 -13.456 5.514 -13.227 1.00 0.00 N
424
+ ATOM 423 OE1 GLN A 55 -14.522 3.560 -13.552 1.00 0.00 O
425
+ ATOM 424 N LYS A 56 -9.466 1.657 -12.215 1.00 0.00 N
426
+ ATOM 425 CA LYS A 56 -8.928 1.353 -10.891 1.00 0.00 C
427
+ ATOM 426 C LYS A 56 -8.482 2.623 -10.174 1.00 0.00 C
428
+ ATOM 427 CB LYS A 56 -7.758 0.374 -11.000 1.00 0.00 C
429
+ ATOM 428 O LYS A 56 -8.263 3.657 -10.810 1.00 0.00 O
430
+ ATOM 429 CG LYS A 56 -6.546 0.937 -11.728 1.00 0.00 C
431
+ ATOM 430 CD LYS A 56 -5.414 -0.080 -11.797 1.00 0.00 C
432
+ ATOM 431 CE LYS A 56 -4.190 0.492 -12.500 1.00 0.00 C
433
+ ATOM 432 NZ LYS A 56 -3.027 -0.443 -12.435 1.00 0.00 N
434
+ ATOM 433 N TRP A 57 -8.455 2.619 -8.912 1.00 0.00 N
435
+ ATOM 434 CA TRP A 57 -7.915 3.716 -8.115 1.00 0.00 C
436
+ ATOM 435 C TRP A 57 -6.396 3.626 -8.021 1.00 0.00 C
437
+ ATOM 436 CB TRP A 57 -8.527 3.713 -6.711 1.00 0.00 C
438
+ ATOM 437 O TRP A 57 -5.856 2.631 -7.532 1.00 0.00 O
439
+ ATOM 438 CG TRP A 57 -8.212 4.938 -5.906 1.00 0.00 C
440
+ ATOM 439 CD1 TRP A 57 -7.304 5.046 -4.890 1.00 0.00 C
441
+ ATOM 440 CD2 TRP A 57 -8.811 6.230 -6.050 1.00 0.00 C
442
+ ATOM 441 CE2 TRP A 57 -8.216 7.074 -5.086 1.00 0.00 C
443
+ ATOM 442 CE3 TRP A 57 -9.792 6.756 -6.900 1.00 0.00 C
444
+ ATOM 443 NE1 TRP A 57 -7.301 6.328 -4.393 1.00 0.00 N
445
+ ATOM 444 CH2 TRP A 57 -9.534 8.909 -5.795 1.00 0.00 C
446
+ ATOM 445 CZ2 TRP A 57 -8.571 8.419 -4.951 1.00 0.00 C
447
+ ATOM 446 CZ3 TRP A 57 -10.145 8.094 -6.763 1.00 0.00 C
448
+ ATOM 447 N GLU A 58 -5.717 4.579 -8.561 1.00 0.00 N
449
+ ATOM 448 CA GLU A 58 -4.259 4.645 -8.574 1.00 0.00 C
450
+ ATOM 449 C GLU A 58 -3.768 6.051 -8.242 1.00 0.00 C
451
+ ATOM 450 CB GLU A 58 -3.712 4.205 -9.934 1.00 0.00 C
452
+ ATOM 451 O GLU A 58 -4.198 7.027 -8.860 1.00 0.00 O
453
+ ATOM 452 CG GLU A 58 -2.224 3.886 -9.925 1.00 0.00 C
454
+ ATOM 453 CD GLU A 58 -1.728 3.300 -11.237 1.00 0.00 C
455
+ ATOM 454 OE1 GLU A 58 -2.486 3.314 -12.233 1.00 0.00 O
456
+ ATOM 455 OE2 GLU A 58 -0.571 2.824 -11.269 1.00 0.00 O
457
+ ATOM 456 N ASN A 59 -2.837 6.233 -7.244 1.00 0.00 N
458
+ ATOM 457 CA ASN A 59 -2.188 7.483 -6.861 1.00 0.00 C
459
+ ATOM 458 C ASN A 59 -3.209 8.586 -6.595 1.00 0.00 C
460
+ ATOM 459 CB ASN A 59 -1.197 7.925 -7.940 1.00 0.00 C
461
+ ATOM 460 O ASN A 59 -3.029 9.723 -7.035 1.00 0.00 O
462
+ ATOM 461 CG ASN A 59 -0.073 6.930 -8.143 1.00 0.00 C
463
+ ATOM 462 ND2 ASN A 59 0.419 6.833 -9.373 1.00 0.00 N
464
+ ATOM 463 OD1 ASN A 59 0.351 6.253 -7.203 1.00 0.00 O
465
+ ATOM 464 N GLY A 60 -4.208 8.189 -5.892 1.00 0.00 N
466
+ ATOM 465 CA GLY A 60 -5.190 9.165 -5.448 1.00 0.00 C
467
+ ATOM 466 C GLY A 60 -6.184 9.547 -6.529 1.00 0.00 C
468
+ ATOM 467 O GLY A 60 -6.911 10.533 -6.391 1.00 0.00 O
469
+ ATOM 468 N GLU A 61 -6.208 8.971 -7.700 1.00 0.00 N
470
+ ATOM 469 CA GLU A 61 -7.119 9.301 -8.793 1.00 0.00 C
471
+ ATOM 470 C GLU A 61 -7.626 8.041 -9.488 1.00 0.00 C
472
+ ATOM 471 CB GLU A 61 -6.430 10.219 -9.806 1.00 0.00 C
473
+ ATOM 472 O GLU A 61 -7.016 6.975 -9.378 1.00 0.00 O
474
+ ATOM 473 CG GLU A 61 -5.174 9.622 -10.424 1.00 0.00 C
475
+ ATOM 474 CD GLU A 61 -4.483 10.560 -11.402 1.00 0.00 C
476
+ ATOM 475 OE1 GLU A 61 -5.043 11.636 -11.709 1.00 0.00 O
477
+ ATOM 476 OE2 GLU A 61 -3.373 10.213 -11.864 1.00 0.00 O
478
+ ATOM 477 N CYS A 62 -8.649 8.230 -10.164 1.00 0.00 N
479
+ ATOM 478 CA CYS A 62 -9.253 7.162 -10.954 1.00 0.00 C
480
+ ATOM 479 C CYS A 62 -8.578 7.040 -12.315 1.00 0.00 C
481
+ ATOM 480 CB CYS A 62 -10.750 7.413 -11.138 1.00 0.00 C
482
+ ATOM 481 O CYS A 62 -8.690 7.939 -13.151 1.00 0.00 O
483
+ ATOM 482 SG CYS A 62 -11.639 6.016 -11.858 1.00 0.00 S
484
+ ATOM 483 N ALA A 63 -7.823 6.008 -12.407 1.00 0.00 N
485
+ ATOM 484 CA ALA A 63 -7.148 5.765 -13.680 1.00 0.00 C
486
+ ATOM 485 C ALA A 63 -7.968 4.832 -14.566 1.00 0.00 C
487
+ ATOM 486 CB ALA A 63 -5.758 5.180 -13.441 1.00 0.00 C
488
+ ATOM 487 O ALA A 63 -8.598 3.893 -14.075 1.00 0.00 O
489
+ ATOM 488 N GLN A 64 -8.007 5.178 -15.806 1.00 0.00 N
490
+ ATOM 489 CA GLN A 64 -8.720 4.373 -16.792 1.00 0.00 C
491
+ ATOM 490 C GLN A 64 -7.786 3.915 -17.908 1.00 0.00 C
492
+ ATOM 491 CB GLN A 64 -9.893 5.159 -17.381 1.00 0.00 C
493
+ ATOM 492 O GLN A 64 -6.918 4.671 -18.349 1.00 0.00 O
494
+ ATOM 493 CG GLN A 64 -11.007 5.443 -16.381 1.00 0.00 C
495
+ ATOM 494 CD GLN A 64 -12.200 6.135 -17.012 1.00 0.00 C
496
+ ATOM 495 NE2 GLN A 64 -13.299 6.215 -16.269 1.00 0.00 N
497
+ ATOM 496 OE1 GLN A 64 -12.135 6.594 -18.156 1.00 0.00 O
498
+ ATOM 497 N LYS A 65 -7.964 2.750 -18.253 1.00 0.00 N
499
+ ATOM 498 CA LYS A 65 -7.154 2.169 -19.321 1.00 0.00 C
500
+ ATOM 499 C LYS A 65 -8.009 1.331 -20.266 1.00 0.00 C
501
+ ATOM 500 CB LYS A 65 -6.028 1.315 -18.737 1.00 0.00 C
502
+ ATOM 501 O LYS A 65 -8.854 0.551 -19.820 1.00 0.00 O
503
+ ATOM 502 CG LYS A 65 -5.078 0.745 -19.780 1.00 0.00 C
504
+ ATOM 503 CD LYS A 65 -3.973 -0.084 -19.138 1.00 0.00 C
505
+ ATOM 504 CE LYS A 65 -3.035 -0.673 -20.182 1.00 0.00 C
506
+ ATOM 505 NZ LYS A 65 -1.944 -1.478 -19.556 1.00 0.00 N
507
+ ATOM 506 N LYS A 66 -7.792 1.562 -21.503 1.00 0.00 N
508
+ ATOM 507 CA LYS A 66 -8.431 0.734 -22.521 1.00 0.00 C
509
+ ATOM 508 C LYS A 66 -7.553 -0.458 -22.891 1.00 0.00 C
510
+ ATOM 509 CB LYS A 66 -8.743 1.562 -23.768 1.00 0.00 C
511
+ ATOM 510 O LYS A 66 -6.362 -0.296 -23.164 1.00 0.00 O
512
+ ATOM 511 CG LYS A 66 -9.721 0.895 -24.726 1.00 0.00 C
513
+ ATOM 512 CD LYS A 66 -10.109 1.828 -25.867 1.00 0.00 C
514
+ ATOM 513 CE LYS A 66 -11.101 1.167 -26.815 1.00 0.00 C
515
+ ATOM 514 NZ LYS A 66 -11.594 2.122 -27.853 1.00 0.00 N
516
+ ATOM 515 N ILE A 67 -8.155 -1.611 -22.868 1.00 0.00 N
517
+ ATOM 516 CA ILE A 67 -7.463 -2.862 -23.160 1.00 0.00 C
518
+ ATOM 517 C ILE A 67 -8.192 -3.608 -24.276 1.00 0.00 C
519
+ ATOM 518 CB ILE A 67 -7.351 -3.752 -21.904 1.00 0.00 C
520
+ ATOM 519 O ILE A 67 -9.425 -3.623 -24.316 1.00 0.00 O
521
+ ATOM 520 CG1 ILE A 67 -6.577 -3.024 -20.799 1.00 0.00 C
522
+ ATOM 521 CG2 ILE A 67 -6.687 -5.090 -22.247 1.00 0.00 C
523
+ ATOM 522 CD1 ILE A 67 -6.651 -3.704 -19.438 1.00 0.00 C
524
+ ATOM 523 N ILE A 68 -7.441 -4.123 -25.139 1.00 0.00 N
525
+ ATOM 524 CA ILE A 68 -7.997 -4.973 -26.187 1.00 0.00 C
526
+ ATOM 525 C ILE A 68 -7.652 -6.434 -25.902 1.00 0.00 C
527
+ ATOM 526 CB ILE A 68 -7.477 -4.563 -27.583 1.00 0.00 C
528
+ ATOM 527 O ILE A 68 -6.479 -6.784 -25.751 1.00 0.00 O
529
+ ATOM 528 CG1 ILE A 68 -7.801 -3.091 -27.861 1.00 0.00 C
530
+ ATOM 529 CG2 ILE A 68 -8.070 -5.469 -28.667 1.00 0.00 C
531
+ ATOM 530 CD1 ILE A 68 -9.291 -2.781 -27.902 1.00 0.00 C
532
+ ATOM 531 N ALA A 69 -8.653 -7.200 -25.772 1.00 0.00 N
533
+ ATOM 532 CA ALA A 69 -8.495 -8.648 -25.675 1.00 0.00 C
534
+ ATOM 533 C ALA A 69 -8.738 -9.319 -27.025 1.00 0.00 C
535
+ ATOM 534 CB ALA A 69 -9.445 -9.218 -24.624 1.00 0.00 C
536
+ ATOM 535 O ALA A 69 -9.869 -9.347 -27.517 1.00 0.00 O
537
+ ATOM 536 N GLU A 70 -7.697 -9.828 -27.602 1.00 0.00 N
538
+ ATOM 537 CA GLU A 70 -7.768 -10.414 -28.937 1.00 0.00 C
539
+ ATOM 538 C GLU A 70 -8.236 -11.865 -28.879 1.00 0.00 C
540
+ ATOM 539 CB GLU A 70 -6.409 -10.326 -29.636 1.00 0.00 C
541
+ ATOM 540 O GLU A 70 -7.715 -12.660 -28.094 1.00 0.00 O
542
+ ATOM 541 CG GLU A 70 -5.923 -8.902 -29.860 1.00 0.00 C
543
+ ATOM 542 CD GLU A 70 -4.491 -8.829 -30.366 1.00 0.00 C
544
+ ATOM 543 OE1 GLU A 70 -3.850 -9.892 -30.528 1.00 0.00 O
545
+ ATOM 544 OE2 GLU A 70 -4.006 -7.700 -30.601 1.00 0.00 O
546
+ ATOM 545 N LYS A 71 -9.147 -12.111 -29.712 1.00 0.00 N
547
+ ATOM 546 CA LYS A 71 -9.629 -13.483 -29.842 1.00 0.00 C
548
+ ATOM 547 C LYS A 71 -8.528 -14.406 -30.354 1.00 0.00 C
549
+ ATOM 548 CB LYS A 71 -10.838 -13.540 -30.777 1.00 0.00 C
550
+ ATOM 549 O LYS A 71 -7.732 -14.017 -31.211 1.00 0.00 O
551
+ ATOM 550 CG LYS A 71 -11.474 -14.918 -30.883 1.00 0.00 C
552
+ ATOM 551 CD LYS A 71 -12.670 -14.911 -31.826 1.00 0.00 C
553
+ ATOM 552 CE LYS A 71 -13.220 -16.315 -32.044 1.00 0.00 C
554
+ ATOM 553 NZ LYS A 71 -14.343 -16.323 -33.029 1.00 0.00 N
555
+ ATOM 554 N THR A 72 -8.505 -15.605 -29.858 1.00 0.00 N
556
+ ATOM 555 CA THR A 72 -7.591 -16.615 -30.380 1.00 0.00 C
557
+ ATOM 556 C THR A 72 -8.365 -17.758 -31.030 1.00 0.00 C
558
+ ATOM 557 CB THR A 72 -6.683 -17.173 -29.269 1.00 0.00 C
559
+ ATOM 558 O THR A 72 -9.596 -17.725 -31.094 1.00 0.00 O
560
+ ATOM 559 CG2 THR A 72 -6.102 -16.049 -28.417 1.00 0.00 C
561
+ ATOM 560 OG1 THR A 72 -7.445 -18.049 -28.430 1.00 0.00 O
562
+ ATOM 561 N LYS A 73 -7.653 -18.742 -31.509 1.00 0.00 N
563
+ ATOM 562 CA LYS A 73 -8.281 -19.913 -32.114 1.00 0.00 C
564
+ ATOM 563 C LYS A 73 -8.814 -20.865 -31.046 1.00 0.00 C
565
+ ATOM 564 CB LYS A 73 -7.292 -20.645 -33.022 1.00 0.00 C
566
+ ATOM 565 O LYS A 73 -9.633 -21.738 -31.337 1.00 0.00 O
567
+ ATOM 566 CG LYS A 73 -6.878 -19.851 -34.253 1.00 0.00 C
568
+ ATOM 567 CD LYS A 73 -5.945 -20.656 -35.148 1.00 0.00 C
569
+ ATOM 568 CE LYS A 73 -5.497 -19.850 -36.359 1.00 0.00 C
570
+ ATOM 569 NZ LYS A 73 -4.546 -20.618 -37.216 1.00 0.00 N
571
+ ATOM 570 N ILE A 74 -8.366 -20.739 -29.856 1.00 0.00 N
572
+ ATOM 571 CA ILE A 74 -8.797 -21.599 -28.759 1.00 0.00 C
573
+ ATOM 572 C ILE A 74 -9.996 -20.971 -28.051 1.00 0.00 C
574
+ ATOM 573 CB ILE A 74 -7.652 -21.850 -27.754 1.00 0.00 C
575
+ ATOM 574 O ILE A 74 -9.939 -19.813 -27.630 1.00 0.00 O
576
+ ATOM 575 CG1 ILE A 74 -6.433 -22.445 -28.470 1.00 0.00 C
577
+ ATOM 576 CG2 ILE A 74 -8.119 -22.764 -26.617 1.00 0.00 C
578
+ ATOM 577 CD1 ILE A 74 -5.182 -22.519 -27.605 1.00 0.00 C
579
+ ATOM 578 N PRO A 75 -11.107 -21.722 -27.925 1.00 0.00 N
580
+ ATOM 579 CA PRO A 75 -12.298 -21.175 -27.269 1.00 0.00 C
581
+ ATOM 580 C PRO A 75 -12.014 -20.672 -25.855 1.00 0.00 C
582
+ ATOM 581 CB PRO A 75 -13.263 -22.364 -27.243 1.00 0.00 C
583
+ ATOM 582 O PRO A 75 -11.242 -21.291 -25.119 1.00 0.00 O
584
+ ATOM 583 CG PRO A 75 -12.807 -23.250 -28.356 1.00 0.00 C
585
+ ATOM 584 CD PRO A 75 -11.317 -23.116 -28.493 1.00 0.00 C
586
+ ATOM 585 N ALA A 76 -12.568 -19.521 -25.508 1.00 0.00 N
587
+ ATOM 586 CA ALA A 76 -12.543 -18.926 -24.174 1.00 0.00 C
588
+ ATOM 587 C ALA A 76 -11.127 -18.514 -23.784 1.00 0.00 C
589
+ ATOM 588 CB ALA A 76 -13.112 -19.899 -23.145 1.00 0.00 C
590
+ ATOM 589 O ALA A 76 -10.814 -18.389 -22.597 1.00 0.00 O
591
+ ATOM 590 N VAL A 77 -10.294 -18.370 -24.835 1.00 0.00 N
592
+ ATOM 591 CA VAL A 77 -8.941 -17.868 -24.625 1.00 0.00 C
593
+ ATOM 592 C VAL A 77 -8.742 -16.573 -25.408 1.00 0.00 C
594
+ ATOM 593 CB VAL A 77 -7.878 -18.910 -25.041 1.00 0.00 C
595
+ ATOM 594 O VAL A 77 -9.029 -16.514 -26.607 1.00 0.00 O
596
+ ATOM 595 CG1 VAL A 77 -6.469 -18.359 -24.827 1.00 0.00 C
597
+ ATOM 596 CG2 VAL A 77 -8.071 -20.209 -24.261 1.00 0.00 C
598
+ ATOM 597 N PHE A 78 -8.268 -15.614 -24.737 1.00 0.00 N
599
+ ATOM 598 CA PHE A 78 -7.966 -14.314 -25.324 1.00 0.00 C
600
+ ATOM 599 C PHE A 78 -6.510 -13.935 -25.082 1.00 0.00 C
601
+ ATOM 600 CB PHE A 78 -8.891 -13.235 -24.752 1.00 0.00 C
602
+ ATOM 601 O PHE A 78 -5.856 -14.495 -24.201 1.00 0.00 O
603
+ ATOM 602 CG PHE A 78 -10.352 -13.482 -25.021 1.00 0.00 C
604
+ ATOM 603 CD1 PHE A 78 -10.982 -12.891 -26.109 1.00 0.00 C
605
+ ATOM 604 CD2 PHE A 78 -11.094 -14.306 -24.186 1.00 0.00 C
606
+ ATOM 605 CE1 PHE A 78 -12.333 -13.117 -26.362 1.00 0.00 C
607
+ ATOM 606 CE2 PHE A 78 -12.444 -14.537 -24.431 1.00 0.00 C
608
+ ATOM 607 CZ PHE A 78 -13.062 -13.941 -25.518 1.00 0.00 C
609
+ ATOM 608 N LYS A 79 -6.113 -13.071 -25.882 1.00 0.00 N
610
+ ATOM 609 CA LYS A 79 -4.765 -12.532 -25.727 1.00 0.00 C
611
+ ATOM 610 C LYS A 79 -4.803 -11.046 -25.382 1.00 0.00 C
612
+ ATOM 611 CB LYS A 79 -3.948 -12.752 -27.002 1.00 0.00 C
613
+ ATOM 612 O LYS A 79 -5.446 -10.258 -26.078 1.00 0.00 O
614
+ ATOM 613 CG LYS A 79 -2.488 -12.343 -26.880 1.00 0.00 C
615
+ ATOM 614 CD LYS A 79 -1.744 -12.529 -28.196 1.00 0.00 C
616
+ ATOM 615 CE LYS A 79 -0.338 -11.950 -28.130 1.00 0.00 C
617
+ ATOM 616 NZ LYS A 79 0.374 -12.072 -29.437 1.00 0.00 N
618
+ ATOM 617 N ILE A 80 -4.250 -10.752 -24.312 1.00 0.00 N
619
+ ATOM 618 CA ILE A 80 -4.013 -9.369 -23.912 1.00 0.00 C
620
+ ATOM 619 C ILE A 80 -2.511 -9.096 -23.863 1.00 0.00 C
621
+ ATOM 620 CB ILE A 80 -4.659 -9.058 -22.543 1.00 0.00 C
622
+ ATOM 621 O ILE A 80 -1.803 -9.638 -23.012 1.00 0.00 O
623
+ ATOM 622 CG1 ILE A 80 -6.173 -9.295 -22.601 1.00 0.00 C
624
+ ATOM 623 CG2 ILE A 80 -4.346 -7.622 -22.113 1.00 0.00 C
625
+ ATOM 624 CD1 ILE A 80 -6.873 -9.150 -21.256 1.00 0.00 C
626
+ ATOM 625 N ASP A 81 -2.026 -8.230 -24.787 1.00 0.00 N
627
+ ATOM 626 CA ASP A 81 -0.585 -8.102 -24.979 1.00 0.00 C
628
+ ATOM 627 C ASP A 81 0.070 -9.470 -25.150 1.00 0.00 C
629
+ ATOM 628 CB ASP A 81 0.050 -7.359 -23.802 1.00 0.00 C
630
+ ATOM 629 O ASP A 81 -0.285 -10.226 -26.057 1.00 0.00 O
631
+ ATOM 630 CG ASP A 81 -0.492 -5.950 -23.628 1.00 0.00 C
632
+ ATOM 631 OD1 ASP A 81 -0.780 -5.279 -24.642 1.00 0.00 O
633
+ ATOM 632 OD2 ASP A 81 -0.630 -5.508 -22.467 1.00 0.00 O
634
+ ATOM 633 N GLU A 82 1.043 -9.896 -24.413 1.00 0.00 N
635
+ ATOM 634 CA GLU A 82 1.738 -11.164 -24.605 1.00 0.00 C
636
+ ATOM 635 C GLU A 82 1.188 -12.243 -23.675 1.00 0.00 C
637
+ ATOM 636 CB GLU A 82 3.242 -10.994 -24.378 1.00 0.00 C
638
+ ATOM 637 O GLU A 82 1.678 -13.373 -23.666 1.00 0.00 O
639
+ ATOM 638 CG GLU A 82 3.912 -10.060 -25.376 1.00 0.00 C
640
+ ATOM 639 CD GLU A 82 3.747 -10.507 -26.819 1.00 0.00 C
641
+ ATOM 640 OE1 GLU A 82 3.802 -11.729 -27.087 1.00 0.00 O
642
+ ATOM 641 OE2 GLU A 82 3.565 -9.628 -27.691 1.00 0.00 O
643
+ ATOM 642 N ASN A 83 0.127 -11.925 -23.086 1.00 0.00 N
644
+ ATOM 643 CA ASN A 83 -0.416 -12.870 -22.115 1.00 0.00 C
645
+ ATOM 644 C ASN A 83 -1.726 -13.484 -22.603 1.00 0.00 C
646
+ ATOM 645 CB ASN A 83 -0.621 -12.189 -20.761 1.00 0.00 C
647
+ ATOM 646 O ASN A 83 -2.554 -12.796 -23.202 1.00 0.00 O
648
+ ATOM 647 CG ASN A 83 0.682 -11.735 -20.132 1.00 0.00 C
649
+ ATOM 648 ND2 ASN A 83 0.748 -10.464 -19.755 1.00 0.00 N
650
+ ATOM 649 OD1 ASN A 83 1.621 -12.521 -19.987 1.00 0.00 O
651
+ ATOM 650 N LYS A 84 -1.863 -14.764 -22.353 1.00 0.00 N
652
+ ATOM 651 CA LYS A 84 -3.138 -15.431 -22.597 1.00 0.00 C
653
+ ATOM 652 C LYS A 84 -4.042 -15.357 -21.370 1.00 0.00 C
654
+ ATOM 653 CB LYS A 84 -2.913 -16.891 -22.995 1.00 0.00 C
655
+ ATOM 654 O LYS A 84 -3.580 -15.536 -20.241 1.00 0.00 O
656
+ ATOM 655 CG LYS A 84 -2.267 -17.067 -24.361 1.00 0.00 C
657
+ ATOM 656 CD LYS A 84 -2.125 -18.539 -24.726 1.00 0.00 C
658
+ ATOM 657 CE LYS A 84 -1.394 -18.721 -26.050 1.00 0.00 C
659
+ ATOM 658 NZ LYS A 84 -1.106 -20.159 -26.332 1.00 0.00 N
660
+ ATOM 659 N VAL A 85 -5.243 -14.990 -21.665 1.00 0.00 N
661
+ ATOM 660 CA VAL A 85 -6.287 -14.955 -20.645 1.00 0.00 C
662
+ ATOM 661 C VAL A 85 -7.286 -16.083 -20.890 1.00 0.00 C
663
+ ATOM 662 CB VAL A 85 -7.015 -13.593 -20.625 1.00 0.00 C
664
+ ATOM 663 O VAL A 85 -7.854 -16.194 -21.979 1.00 0.00 O
665
+ ATOM 664 CG1 VAL A 85 -8.131 -13.593 -19.583 1.00 0.00 C
666
+ ATOM 665 CG2 VAL A 85 -6.024 -12.463 -20.353 1.00 0.00 C
667
+ ATOM 666 N LEU A 86 -7.459 -16.901 -19.892 1.00 0.00 N
668
+ ATOM 667 CA LEU A 86 -8.340 -18.061 -19.959 1.00 0.00 C
669
+ ATOM 668 C LEU A 86 -9.597 -17.838 -19.126 1.00 0.00 C
670
+ ATOM 669 CB LEU A 86 -7.611 -19.318 -19.478 1.00 0.00 C
671
+ ATOM 670 O LEU A 86 -9.514 -17.619 -17.915 1.00 0.00 O
672
+ ATOM 671 CG LEU A 86 -6.370 -19.728 -20.272 1.00 0.00 C
673
+ ATOM 672 CD1 LEU A 86 -5.149 -18.953 -19.785 1.00 0.00 C
674
+ ATOM 673 CD2 LEU A 86 -6.135 -21.231 -20.160 1.00 0.00 C
675
+ ATOM 674 N VAL A 87 -10.680 -17.908 -19.807 1.00 0.00 N
676
+ ATOM 675 CA VAL A 87 -11.941 -17.865 -19.074 1.00 0.00 C
677
+ ATOM 676 C VAL A 87 -12.265 -19.251 -18.521 1.00 0.00 C
678
+ ATOM 677 CB VAL A 87 -13.099 -17.361 -19.963 1.00 0.00 C
679
+ ATOM 678 O VAL A 87 -12.449 -20.202 -19.284 1.00 0.00 O
680
+ ATOM 679 CG1 VAL A 87 -14.411 -17.336 -19.179 1.00 0.00 C
681
+ ATOM 680 CG2 VAL A 87 -12.779 -15.975 -20.520 1.00 0.00 C
682
+ ATOM 681 N LEU A 88 -12.414 -19.388 -17.242 1.00 0.00 N
683
+ ATOM 682 CA LEU A 88 -12.624 -20.671 -16.581 1.00 0.00 C
684
+ ATOM 683 C LEU A 88 -14.111 -20.992 -16.475 1.00 0.00 C
685
+ ATOM 684 CB LEU A 88 -11.991 -20.666 -15.187 1.00 0.00 C
686
+ ATOM 685 O LEU A 88 -14.522 -22.133 -16.700 1.00 0.00 O
687
+ ATOM 686 CG LEU A 88 -10.489 -20.381 -15.126 1.00 0.00 C
688
+ ATOM 687 CD1 LEU A 88 -9.987 -20.492 -13.690 1.00 0.00 C
689
+ ATOM 688 CD2 LEU A 88 -9.726 -21.332 -16.040 1.00 0.00 C
690
+ ATOM 689 N ASP A 89 -14.840 -20.002 -16.038 1.00 0.00 N
691
+ ATOM 690 CA ASP A 89 -16.269 -20.211 -15.826 1.00 0.00 C
692
+ ATOM 691 C ASP A 89 -17.011 -18.880 -15.729 1.00 0.00 C
693
+ ATOM 692 CB ASP A 89 -16.508 -21.038 -14.561 1.00 0.00 C
694
+ ATOM 693 O ASP A 89 -16.440 -17.875 -15.298 1.00 0.00 O
695
+ ATOM 694 CG ASP A 89 -17.928 -21.566 -14.457 1.00 0.00 C
696
+ ATOM 695 OD1 ASP A 89 -18.639 -21.611 -15.484 1.00 0.00 O
697
+ ATOM 696 OD2 ASP A 89 -18.341 -21.938 -13.337 1.00 0.00 O
698
+ ATOM 697 N THR A 90 -18.229 -18.913 -16.233 1.00 0.00 N
699
+ ATOM 698 CA THR A 90 -19.123 -17.775 -16.049 1.00 0.00 C
700
+ ATOM 699 C THR A 90 -20.578 -18.194 -16.236 1.00 0.00 C
701
+ ATOM 700 CB THR A 90 -18.783 -16.636 -17.028 1.00 0.00 C
702
+ ATOM 701 O THR A 90 -20.873 -19.105 -17.012 1.00 0.00 O
703
+ ATOM 702 CG2 THR A 90 -19.023 -17.062 -18.472 1.00 0.00 C
704
+ ATOM 703 OG1 THR A 90 -19.606 -15.501 -16.733 1.00 0.00 O
705
+ ATOM 704 N ASP A 91 -21.434 -17.589 -15.477 1.00 0.00 N
706
+ ATOM 705 CA ASP A 91 -22.856 -17.746 -15.764 1.00 0.00 C
707
+ ATOM 706 C ASP A 91 -23.398 -16.540 -16.529 1.00 0.00 C
708
+ ATOM 707 CB ASP A 91 -23.647 -17.946 -14.470 1.00 0.00 C
709
+ ATOM 708 O ASP A 91 -24.605 -16.434 -16.756 1.00 0.00 O
710
+ ATOM 709 CG ASP A 91 -23.651 -16.715 -13.580 1.00 0.00 C
711
+ ATOM 710 OD1 ASP A 91 -22.895 -15.760 -13.859 1.00 0.00 O
712
+ ATOM 711 OD2 ASP A 91 -24.414 -16.703 -12.591 1.00 0.00 O
713
+ ATOM 712 N TYR A 92 -22.568 -15.577 -16.773 1.00 0.00 N
714
+ ATOM 713 CA TYR A 92 -22.824 -14.383 -17.571 1.00 0.00 C
715
+ ATOM 714 C TYR A 92 -23.584 -13.339 -16.761 1.00 0.00 C
716
+ ATOM 715 CB TYR A 92 -23.613 -14.741 -18.834 1.00 0.00 C
717
+ ATOM 716 O TYR A 92 -23.636 -12.167 -17.141 1.00 0.00 O
718
+ ATOM 717 CG TYR A 92 -22.919 -15.750 -19.717 1.00 0.00 C
719
+ ATOM 718 CD1 TYR A 92 -21.773 -15.409 -20.432 1.00 0.00 C
720
+ ATOM 719 CD2 TYR A 92 -23.409 -17.046 -19.839 1.00 0.00 C
721
+ ATOM 720 CE1 TYR A 92 -21.133 -16.335 -21.248 1.00 0.00 C
722
+ ATOM 721 CE2 TYR A 92 -22.776 -17.980 -20.652 1.00 0.00 C
723
+ ATOM 722 OH TYR A 92 -21.010 -18.538 -22.157 1.00 0.00 O
724
+ ATOM 723 CZ TYR A 92 -21.640 -17.616 -21.350 1.00 0.00 C
725
+ ATOM 724 N LYS A 93 -24.125 -13.732 -15.667 1.00 0.00 N
726
+ ATOM 725 CA LYS A 93 -25.050 -12.849 -14.963 1.00 0.00 C
727
+ ATOM 726 C LYS A 93 -24.493 -12.441 -13.602 1.00 0.00 C
728
+ ATOM 727 CB LYS A 93 -26.412 -13.524 -14.790 1.00 0.00 C
729
+ ATOM 728 O LYS A 93 -24.716 -11.318 -13.145 1.00 0.00 O
730
+ ATOM 729 CG LYS A 93 -27.144 -13.785 -16.098 1.00 0.00 C
731
+ ATOM 730 CD LYS A 93 -28.479 -14.479 -15.862 1.00 0.00 C
732
+ ATOM 731 CE LYS A 93 -29.177 -14.811 -17.175 1.00 0.00 C
733
+ ATOM 732 NZ LYS A 93 -30.474 -15.516 -16.949 1.00 0.00 N
734
+ ATOM 733 N LYS A 94 -23.759 -13.310 -12.992 1.00 0.00 N
735
+ ATOM 734 CA LYS A 94 -23.339 -13.057 -11.617 1.00 0.00 C
736
+ ATOM 735 C LYS A 94 -21.817 -13.026 -11.504 1.00 0.00 C
737
+ ATOM 736 CB LYS A 94 -23.913 -14.119 -10.677 1.00 0.00 C
738
+ ATOM 737 O LYS A 94 -21.259 -12.173 -10.810 1.00 0.00 O
739
+ ATOM 738 CG LYS A 94 -25.428 -14.074 -10.544 1.00 0.00 C
740
+ ATOM 739 CD LYS A 94 -25.932 -15.109 -9.546 1.00 0.00 C
741
+ ATOM 740 CE LYS A 94 -27.449 -15.072 -9.419 1.00 0.00 C
742
+ ATOM 741 NZ LYS A 94 -27.947 -16.083 -8.440 1.00 0.00 N
743
+ ATOM 742 N TYR A 95 -21.120 -13.943 -12.138 1.00 0.00 N
744
+ ATOM 743 CA TYR A 95 -19.679 -14.003 -11.929 1.00 0.00 C
745
+ ATOM 744 C TYR A 95 -18.955 -14.365 -13.221 1.00 0.00 C
746
+ ATOM 745 CB TYR A 95 -19.336 -15.019 -10.836 1.00 0.00 C
747
+ ATOM 746 O TYR A 95 -19.560 -14.911 -14.146 1.00 0.00 O
748
+ ATOM 747 CG TYR A 95 -19.674 -16.444 -11.204 1.00 0.00 C
749
+ ATOM 748 CD1 TYR A 95 -20.919 -16.987 -10.895 1.00 0.00 C
750
+ ATOM 749 CD2 TYR A 95 -18.749 -17.250 -11.861 1.00 0.00 C
751
+ ATOM 750 CE1 TYR A 95 -21.234 -18.300 -11.230 1.00 0.00 C
752
+ ATOM 751 CE2 TYR A 95 -19.053 -18.563 -12.201 1.00 0.00 C
753
+ ATOM 752 OH TYR A 95 -20.603 -20.379 -12.217 1.00 0.00 O
754
+ ATOM 753 CZ TYR A 95 -20.297 -19.079 -11.883 1.00 0.00 C
755
+ ATOM 754 N LEU A 96 -17.698 -14.055 -13.280 1.00 0.00 N
756
+ ATOM 755 CA LEU A 96 -16.729 -14.355 -14.329 1.00 0.00 C
757
+ ATOM 756 C LEU A 96 -15.378 -14.729 -13.728 1.00 0.00 C
758
+ ATOM 757 CB LEU A 96 -16.569 -13.159 -15.270 1.00 0.00 C
759
+ ATOM 758 O LEU A 96 -14.798 -13.955 -12.962 1.00 0.00 O
760
+ ATOM 759 CG LEU A 96 -15.496 -13.286 -16.353 1.00 0.00 C
761
+ ATOM 760 CD1 LEU A 96 -15.859 -14.398 -17.330 1.00 0.00 C
762
+ ATOM 761 CD2 LEU A 96 -15.315 -11.960 -17.084 1.00 0.00 C
763
+ ATOM 762 N LEU A 97 -14.968 -15.916 -14.032 1.00 0.00 N
764
+ ATOM 763 CA LEU A 97 -13.689 -16.418 -13.541 1.00 0.00 C
765
+ ATOM 764 C LEU A 97 -12.679 -16.536 -14.678 1.00 0.00 C
766
+ ATOM 765 CB LEU A 97 -13.870 -17.776 -12.860 1.00 0.00 C
767
+ ATOM 766 O LEU A 97 -12.968 -17.150 -15.708 1.00 0.00 O
768
+ ATOM 767 CG LEU A 97 -15.019 -17.883 -11.856 1.00 0.00 C
769
+ ATOM 768 CD1 LEU A 97 -15.046 -19.272 -11.227 1.00 0.00 C
770
+ ATOM 769 CD2 LEU A 97 -14.895 -16.806 -10.784 1.00 0.00 C
771
+ ATOM 770 N PHE A 98 -11.516 -15.980 -14.477 1.00 0.00 N
772
+ ATOM 771 CA PHE A 98 -10.512 -16.127 -15.523 1.00 0.00 C
773
+ ATOM 772 C PHE A 98 -9.108 -16.136 -14.930 1.00 0.00 C
774
+ ATOM 773 CB PHE A 98 -10.640 -15.002 -16.555 1.00 0.00 C
775
+ ATOM 774 O PHE A 98 -8.907 -15.704 -13.793 1.00 0.00 O
776
+ ATOM 775 CG PHE A 98 -10.295 -13.642 -16.014 1.00 0.00 C
777
+ ATOM 776 CD1 PHE A 98 -11.262 -12.858 -15.396 1.00 0.00 C
778
+ ATOM 777 CD2 PHE A 98 -9.002 -13.144 -16.124 1.00 0.00 C
779
+ ATOM 778 CE1 PHE A 98 -10.945 -11.598 -14.895 1.00 0.00 C
780
+ ATOM 779 CE2 PHE A 98 -8.679 -11.886 -15.625 1.00 0.00 C
781
+ ATOM 780 CZ PHE A 98 -9.652 -11.114 -15.012 1.00 0.00 C
782
+ ATOM 781 N CYS A 99 -8.133 -16.676 -15.664 1.00 0.00 N
783
+ ATOM 782 CA CYS A 99 -6.730 -16.748 -15.268 1.00 0.00 C
784
+ ATOM 783 C CYS A 99 -5.823 -16.224 -16.374 1.00 0.00 C
785
+ ATOM 784 CB CYS A 99 -6.345 -18.185 -14.918 1.00 0.00 C
786
+ ATOM 785 O CYS A 99 -6.139 -16.359 -17.557 1.00 0.00 O
787
+ ATOM 786 SG CYS A 99 -7.165 -18.820 -13.439 1.00 0.00 S
788
+ ATOM 787 N MET A 100 -4.790 -15.580 -15.933 1.00 0.00 N
789
+ ATOM 788 CA MET A 100 -3.690 -15.249 -16.835 1.00 0.00 C
790
+ ATOM 789 C MET A 100 -2.656 -16.371 -16.867 1.00 0.00 C
791
+ ATOM 790 CB MET A 100 -3.025 -13.938 -16.414 1.00 0.00 C
792
+ ATOM 791 O MET A 100 -2.185 -16.817 -15.819 1.00 0.00 O
793
+ ATOM 792 CG MET A 100 -3.921 -12.719 -16.566 1.00 0.00 C
794
+ ATOM 793 SD MET A 100 -3.082 -11.164 -16.070 1.00 0.00 S
795
+ ATOM 794 CE MET A 100 -3.184 -11.308 -14.264 1.00 0.00 C
796
+ ATOM 795 N GLU A 101 -2.375 -16.932 -18.003 1.00 0.00 N
797
+ ATOM 796 CA GLU A 101 -1.567 -18.141 -18.141 1.00 0.00 C
798
+ ATOM 797 C GLU A 101 -0.142 -17.912 -17.643 1.00 0.00 C
799
+ ATOM 798 CB GLU A 101 -1.546 -18.611 -19.597 1.00 0.00 C
800
+ ATOM 799 O GLU A 101 0.401 -18.733 -16.901 1.00 0.00 O
801
+ ATOM 800 CG GLU A 101 -0.873 -19.962 -19.797 1.00 0.00 C
802
+ ATOM 801 CD GLU A 101 -0.868 -20.421 -21.246 1.00 0.00 C
803
+ ATOM 802 OE1 GLU A 101 -0.711 -19.570 -22.152 1.00 0.00 O
804
+ ATOM 803 OE2 GLU A 101 -1.025 -21.640 -21.479 1.00 0.00 O
805
+ ATOM 804 N ASN A 102 0.580 -16.868 -17.976 1.00 0.00 N
806
+ ATOM 805 CA ASN A 102 2.007 -16.717 -17.712 1.00 0.00 C
807
+ ATOM 806 C ASN A 102 2.274 -16.394 -16.244 1.00 0.00 C
808
+ ATOM 807 CB ASN A 102 2.608 -15.636 -18.611 1.00 0.00 C
809
+ ATOM 808 O ASN A 102 3.339 -16.720 -15.716 1.00 0.00 O
810
+ ATOM 809 CG ASN A 102 2.630 -16.038 -20.073 1.00 0.00 C
811
+ ATOM 810 ND2 ASN A 102 2.811 -15.060 -20.954 1.00 0.00 N
812
+ ATOM 811 OD1 ASN A 102 2.485 -17.216 -20.408 1.00 0.00 O
813
+ ATOM 812 N SER A 103 1.334 -15.783 -15.584 1.00 0.00 N
814
+ ATOM 813 CA SER A 103 1.553 -15.318 -14.218 1.00 0.00 C
815
+ ATOM 814 C SER A 103 0.746 -16.138 -13.218 1.00 0.00 C
816
+ ATOM 815 CB SER A 103 1.185 -13.838 -14.090 1.00 0.00 C
817
+ ATOM 816 O SER A 103 0.890 -15.967 -12.006 1.00 0.00 O
818
+ ATOM 817 OG SER A 103 -0.193 -13.637 -14.355 1.00 0.00 O
819
+ ATOM 818 N LEU A 104 0.000 -17.268 -13.669 1.00 0.00 N
820
+ ATOM 819 CA LEU A 104 -0.937 -18.052 -12.873 1.00 0.00 C
821
+ ATOM 820 C LEU A 104 -1.706 -17.161 -11.903 1.00 0.00 C
822
+ ATOM 821 CB LEU A 104 -0.197 -19.148 -12.100 1.00 0.00 C
823
+ ATOM 822 O LEU A 104 -1.676 -17.384 -10.691 1.00 0.00 O
824
+ ATOM 823 CG LEU A 104 0.347 -20.313 -12.928 1.00 0.00 C
825
+ ATOM 824 CD1 LEU A 104 1.448 -21.038 -12.163 1.00 0.00 C
826
+ ATOM 825 CD2 LEU A 104 -0.776 -21.275 -13.300 1.00 0.00 C
827
+ ATOM 826 N ALA A 105 -2.079 -16.002 -12.281 1.00 0.00 N
828
+ ATOM 827 CA ALA A 105 -2.955 -15.103 -11.534 1.00 0.00 C
829
+ ATOM 828 C ALA A 105 -4.400 -15.223 -12.009 1.00 0.00 C
830
+ ATOM 829 CB ALA A 105 -2.473 -13.660 -11.663 1.00 0.00 C
831
+ ATOM 830 O ALA A 105 -4.679 -15.092 -13.203 1.00 0.00 O
832
+ ATOM 831 N CYS A 106 -5.270 -15.613 -11.164 1.00 0.00 N
833
+ ATOM 832 CA CYS A 106 -6.682 -15.817 -11.467 1.00 0.00 C
834
+ ATOM 833 C CYS A 106 -7.548 -14.788 -10.753 1.00 0.00 C
835
+ ATOM 834 CB CYS A 106 -7.117 -17.228 -11.068 1.00 0.00 C
836
+ ATOM 835 O CYS A 106 -7.190 -14.310 -9.674 1.00 0.00 O
837
+ ATOM 836 SG CYS A 106 -6.230 -18.537 -11.942 1.00 0.00 S
838
+ ATOM 837 N GLN A 107 -8.586 -14.498 -11.421 1.00 0.00 N
839
+ ATOM 838 CA GLN A 107 -9.462 -13.463 -10.882 1.00 0.00 C
840
+ ATOM 839 C GLN A 107 -10.923 -13.903 -10.923 1.00 0.00 C
841
+ ATOM 840 CB GLN A 107 -9.287 -12.154 -11.653 1.00 0.00 C
842
+ ATOM 841 O GLN A 107 -11.318 -14.679 -11.795 1.00 0.00 O
843
+ ATOM 842 CG GLN A 107 -7.854 -11.640 -11.674 1.00 0.00 C
844
+ ATOM 843 CD GLN A 107 -7.746 -10.223 -12.205 1.00 0.00 C
845
+ ATOM 844 NE2 GLN A 107 -6.581 -9.878 -12.744 1.00 0.00 N
846
+ ATOM 845 OE1 GLN A 107 -8.701 -9.444 -12.131 1.00 0.00 O
847
+ ATOM 846 N CYS A 108 -11.614 -13.426 -9.946 1.00 0.00 N
848
+ ATOM 847 CA CYS A 108 -13.064 -13.546 -9.836 1.00 0.00 C
849
+ ATOM 848 C CYS A 108 -13.733 -12.178 -9.912 1.00 0.00 C
850
+ ATOM 849 CB CYS A 108 -13.448 -14.239 -8.530 1.00 0.00 C
851
+ ATOM 850 O CYS A 108 -13.476 -11.310 -9.076 1.00 0.00 O
852
+ ATOM 851 SG CYS A 108 -15.231 -14.394 -8.285 1.00 0.00 S
853
+ ATOM 852 N LEU A 109 -14.573 -12.039 -10.901 1.00 0.00 N
854
+ ATOM 853 CA LEU A 109 -15.341 -10.809 -11.051 1.00 0.00 C
855
+ ATOM 854 C LEU A 109 -16.826 -11.065 -10.821 1.00 0.00 C
856
+ ATOM 855 CB LEU A 109 -15.125 -10.208 -12.443 1.00 0.00 C
857
+ ATOM 856 O LEU A 109 -17.312 -12.177 -11.041 1.00 0.00 O
858
+ ATOM 857 CG LEU A 109 -13.672 -10.012 -12.879 1.00 0.00 C
859
+ ATOM 858 CD1 LEU A 109 -13.615 -9.362 -14.256 1.00 0.00 C
860
+ ATOM 859 CD2 LEU A 109 -12.915 -9.174 -11.854 1.00 0.00 C
861
+ ATOM 860 N VAL A 110 -17.535 -9.991 -10.412 1.00 0.00 N
862
+ ATOM 861 CA VAL A 110 -18.978 -10.085 -10.214 1.00 0.00 C
863
+ ATOM 862 C VAL A 110 -19.669 -8.901 -10.885 1.00 0.00 C
864
+ ATOM 863 CB VAL A 110 -19.342 -10.136 -8.713 1.00 0.00 C
865
+ ATOM 864 O VAL A 110 -19.054 -7.854 -11.099 1.00 0.00 O
866
+ ATOM 865 CG1 VAL A 110 -18.885 -11.453 -8.090 1.00 0.00 C
867
+ ATOM 866 CG2 VAL A 110 -18.726 -8.949 -7.975 1.00 0.00 C
868
+ ATOM 867 N ARG A 111 -20.988 -9.076 -11.086 1.00 0.00 N
869
+ ATOM 868 CA ARG A 111 -21.781 -8.090 -11.813 1.00 0.00 C
870
+ ATOM 869 C ARG A 111 -22.097 -6.885 -10.933 1.00 0.00 C
871
+ ATOM 870 CB ARG A 111 -23.079 -8.718 -12.328 1.00 0.00 C
872
+ ATOM 871 O ARG A 111 -22.208 -5.762 -11.428 1.00 0.00 O
873
+ ATOM 872 CG ARG A 111 -22.896 -9.580 -13.567 1.00 0.00 C
874
+ ATOM 873 CD ARG A 111 -22.564 -8.742 -14.794 1.00 0.00 C
875
+ ATOM 874 NE ARG A 111 -22.797 -9.482 -16.031 1.00 0.00 N
876
+ ATOM 875 NH1 ARG A 111 -21.937 -7.844 -17.415 1.00 0.00 N
877
+ ATOM 876 NH2 ARG A 111 -22.749 -9.794 -18.305 1.00 0.00 N
878
+ ATOM 877 CZ ARG A 111 -22.494 -9.039 -17.248 1.00 0.00 C
879
+ ATOM 878 N THR A 112 -22.181 -7.119 -9.727 1.00 0.00 N
880
+ ATOM 879 CA THR A 112 -22.540 -6.070 -8.778 1.00 0.00 C
881
+ ATOM 880 C THR A 112 -21.481 -5.943 -7.687 1.00 0.00 C
882
+ ATOM 881 CB THR A 112 -23.912 -6.345 -8.135 1.00 0.00 C
883
+ ATOM 882 O THR A 112 -20.820 -6.922 -7.338 1.00 0.00 O
884
+ ATOM 883 CG2 THR A 112 -24.993 -6.516 -9.198 1.00 0.00 C
885
+ ATOM 884 OG1 THR A 112 -23.835 -7.542 -7.352 1.00 0.00 O
886
+ ATOM 885 N PRO A 113 -21.275 -4.667 -7.254 1.00 0.00 N
887
+ ATOM 886 CA PRO A 113 -20.245 -4.492 -6.228 1.00 0.00 C
888
+ ATOM 887 C PRO A 113 -20.679 -5.012 -4.860 1.00 0.00 C
889
+ ATOM 888 CB PRO A 113 -20.035 -2.976 -6.193 1.00 0.00 C
890
+ ATOM 889 O PRO A 113 -20.774 -4.240 -3.903 1.00 0.00 O
891
+ ATOM 890 CG PRO A 113 -21.369 -2.398 -6.544 1.00 0.00 C
892
+ ATOM 891 CD PRO A 113 -22.069 -3.345 -7.476 1.00 0.00 C
893
+ ATOM 892 N GLU A 114 -21.107 -6.139 -4.776 1.00 0.00 N
894
+ ATOM 893 CA GLU A 114 -21.476 -6.823 -3.540 1.00 0.00 C
895
+ ATOM 894 C GLU A 114 -20.768 -8.171 -3.422 1.00 0.00 C
896
+ ATOM 895 CB GLU A 114 -22.992 -7.019 -3.465 1.00 0.00 C
897
+ ATOM 896 O GLU A 114 -20.482 -8.818 -4.431 1.00 0.00 O
898
+ ATOM 897 CG GLU A 114 -23.779 -5.716 -3.434 1.00 0.00 C
899
+ ATOM 898 CD GLU A 114 -25.285 -5.925 -3.416 1.00 0.00 C
900
+ ATOM 899 OE1 GLU A 114 -25.737 -7.088 -3.506 1.00 0.00 O
901
+ ATOM 900 OE2 GLU A 114 -26.018 -4.916 -3.314 1.00 0.00 O
902
+ ATOM 901 N VAL A 115 -20.456 -8.458 -2.195 1.00 0.00 N
903
+ ATOM 902 CA VAL A 115 -19.857 -9.769 -1.974 1.00 0.00 C
904
+ ATOM 903 C VAL A 115 -20.834 -10.862 -2.402 1.00 0.00 C
905
+ ATOM 904 CB VAL A 115 -19.452 -9.967 -0.496 1.00 0.00 C
906
+ ATOM 905 O VAL A 115 -22.022 -10.805 -2.076 1.00 0.00 O
907
+ ATOM 906 CG1 VAL A 115 -18.919 -11.380 -0.267 1.00 0.00 C
908
+ ATOM 907 CG2 VAL A 115 -18.411 -8.927 -0.085 1.00 0.00 C
909
+ ATOM 908 N ASP A 116 -20.349 -11.775 -3.118 1.00 0.00 N
910
+ ATOM 909 CA ASP A 116 -21.107 -12.934 -3.579 1.00 0.00 C
911
+ ATOM 910 C ASP A 116 -20.444 -14.236 -3.134 1.00 0.00 C
912
+ ATOM 911 CB ASP A 116 -21.252 -12.911 -5.102 1.00 0.00 C
913
+ ATOM 912 O ASP A 116 -19.445 -14.660 -3.718 1.00 0.00 O
914
+ ATOM 913 CG ASP A 116 -22.235 -13.945 -5.620 1.00 0.00 C
915
+ ATOM 914 OD1 ASP A 116 -22.425 -14.990 -4.961 1.00 0.00 O
916
+ ATOM 915 OD2 ASP A 116 -22.823 -13.716 -6.699 1.00 0.00 O
917
+ ATOM 916 N ASP A 117 -21.035 -14.867 -2.148 1.00 0.00 N
918
+ ATOM 917 CA ASP A 117 -20.450 -16.068 -1.560 1.00 0.00 C
919
+ ATOM 918 C ASP A 117 -20.424 -17.216 -2.568 1.00 0.00 C
920
+ ATOM 919 CB ASP A 117 -21.224 -16.485 -0.308 1.00 0.00 C
921
+ ATOM 920 O ASP A 117 -19.489 -18.019 -2.577 1.00 0.00 O
922
+ ATOM 921 CG ASP A 117 -21.015 -15.539 0.861 1.00 0.00 C
923
+ ATOM 922 OD1 ASP A 117 -19.948 -14.894 0.940 1.00 0.00 O
924
+ ATOM 923 OD2 ASP A 117 -21.925 -15.440 1.713 1.00 0.00 O
925
+ ATOM 924 N GLU A 118 -21.424 -17.277 -3.347 1.00 0.00 N
926
+ ATOM 925 CA GLU A 118 -21.463 -18.342 -4.345 1.00 0.00 C
927
+ ATOM 926 C GLU A 118 -20.332 -18.192 -5.358 1.00 0.00 C
928
+ ATOM 927 CB GLU A 118 -22.815 -18.355 -5.064 1.00 0.00 C
929
+ ATOM 928 O GLU A 118 -19.683 -19.174 -5.723 1.00 0.00 O
930
+ ATOM 929 CG GLU A 118 -23.000 -19.539 -6.001 1.00 0.00 C
931
+ ATOM 930 CD GLU A 118 -24.352 -19.546 -6.698 1.00 0.00 C
932
+ ATOM 931 OE1 GLU A 118 -25.219 -18.714 -6.349 1.00 0.00 O
933
+ ATOM 932 OE2 GLU A 118 -24.546 -20.393 -7.600 1.00 0.00 O
934
+ ATOM 933 N ALA A 119 -20.115 -16.966 -5.809 1.00 0.00 N
935
+ ATOM 934 CA ALA A 119 -19.017 -16.703 -6.736 1.00 0.00 C
936
+ ATOM 935 C ALA A 119 -17.675 -17.087 -6.121 1.00 0.00 C
937
+ ATOM 936 CB ALA A 119 -19.010 -15.233 -7.149 1.00 0.00 C
938
+ ATOM 937 O ALA A 119 -16.834 -17.700 -6.783 1.00 0.00 O
939
+ ATOM 938 N LEU A 120 -17.517 -16.766 -4.862 1.00 0.00 N
940
+ ATOM 939 CA LEU A 120 -16.270 -17.078 -4.171 1.00 0.00 C
941
+ ATOM 940 C LEU A 120 -16.088 -18.586 -4.032 1.00 0.00 C
942
+ ATOM 941 CB LEU A 120 -16.244 -16.421 -2.788 1.00 0.00 C
943
+ ATOM 942 O LEU A 120 -14.973 -19.097 -4.167 1.00 0.00 O
944
+ ATOM 943 CG LEU A 120 -16.076 -14.901 -2.764 1.00 0.00 C
945
+ ATOM 944 CD1 LEU A 120 -16.212 -14.375 -1.339 1.00 0.00 C
946
+ ATOM 945 CD2 LEU A 120 -14.730 -14.501 -3.360 1.00 0.00 C
947
+ ATOM 946 N GLU A 121 -17.180 -19.300 -3.781 1.00 0.00 N
948
+ ATOM 947 CA GLU A 121 -17.115 -20.755 -3.690 1.00 0.00 C
949
+ ATOM 948 C GLU A 121 -16.716 -21.375 -5.026 1.00 0.00 C
950
+ ATOM 949 CB GLU A 121 -18.458 -21.325 -3.226 1.00 0.00 C
951
+ ATOM 950 O GLU A 121 -15.889 -22.288 -5.070 1.00 0.00 O
952
+ ATOM 951 CG GLU A 121 -18.720 -21.147 -1.738 1.00 0.00 C
953
+ ATOM 952 CD GLU A 121 -20.078 -21.676 -1.300 1.00 0.00 C
954
+ ATOM 953 OE1 GLU A 121 -20.768 -22.327 -2.117 1.00 0.00 O
955
+ ATOM 954 OE2 GLU A 121 -20.455 -21.434 -0.132 1.00 0.00 O
956
+ ATOM 955 N LYS A 122 -17.266 -20.878 -6.114 1.00 0.00 N
957
+ ATOM 956 CA LYS A 122 -16.924 -21.365 -7.447 1.00 0.00 C
958
+ ATOM 957 C LYS A 122 -15.470 -21.056 -7.790 1.00 0.00 C
959
+ ATOM 958 CB LYS A 122 -17.853 -20.753 -8.497 1.00 0.00 C
960
+ ATOM 959 O LYS A 122 -14.788 -21.868 -8.419 1.00 0.00 O
961
+ ATOM 960 CG LYS A 122 -19.270 -21.303 -8.466 1.00 0.00 C
962
+ ATOM 961 CD LYS A 122 -20.119 -20.728 -9.594 1.00 0.00 C
963
+ ATOM 962 CE LYS A 122 -21.519 -21.326 -9.603 1.00 0.00 C
964
+ ATOM 963 NZ LYS A 122 -22.344 -20.788 -10.726 1.00 0.00 N
965
+ ATOM 964 N PHE A 123 -15.047 -19.911 -7.358 1.00 0.00 N
966
+ ATOM 965 CA PHE A 123 -13.661 -19.511 -7.568 1.00 0.00 C
967
+ ATOM 966 C PHE A 123 -12.709 -20.444 -6.827 1.00 0.00 C
968
+ ATOM 967 CB PHE A 123 -13.441 -18.066 -7.111 1.00 0.00 C
969
+ ATOM 968 O PHE A 123 -11.735 -20.930 -7.403 1.00 0.00 O
970
+ ATOM 969 CG PHE A 123 -12.087 -17.515 -7.469 1.00 0.00 C
971
+ ATOM 970 CD1 PHE A 123 -11.582 -17.658 -8.755 1.00 0.00 C
972
+ ATOM 971 CD2 PHE A 123 -11.320 -16.854 -6.519 1.00 0.00 C
973
+ ATOM 972 CE1 PHE A 123 -10.329 -17.148 -9.090 1.00 0.00 C
974
+ ATOM 973 CE2 PHE A 123 -10.067 -16.342 -6.846 1.00 0.00 C
975
+ ATOM 974 CZ PHE A 123 -9.573 -16.492 -8.132 1.00 0.00 C
976
+ ATOM 975 N ASP A 124 -13.082 -20.778 -5.625 1.00 0.00 N
977
+ ATOM 976 CA ASP A 124 -12.264 -21.679 -4.818 1.00 0.00 C
978
+ ATOM 977 C ASP A 124 -12.192 -23.068 -5.448 1.00 0.00 C
979
+ ATOM 978 CB ASP A 124 -12.817 -21.775 -3.395 1.00 0.00 C
980
+ ATOM 979 O ASP A 124 -11.124 -23.684 -5.485 1.00 0.00 O
981
+ ATOM 980 CG ASP A 124 -12.547 -20.530 -2.568 1.00 0.00 C
982
+ ATOM 981 OD1 ASP A 124 -11.692 -19.709 -2.963 1.00 0.00 O
983
+ ATOM 982 OD2 ASP A 124 -13.194 -20.370 -1.510 1.00 0.00 O
984
+ ATOM 983 N LYS A 125 -13.267 -23.528 -5.922 1.00 0.00 N
985
+ ATOM 984 CA LYS A 125 -13.311 -24.838 -6.567 1.00 0.00 C
986
+ ATOM 985 C LYS A 125 -12.447 -24.860 -7.824 1.00 0.00 C
987
+ ATOM 986 CB LYS A 125 -14.751 -25.218 -6.914 1.00 0.00 C
988
+ ATOM 987 O LYS A 125 -11.732 -25.834 -8.076 1.00 0.00 O
989
+ ATOM 988 CG LYS A 125 -14.911 -26.646 -7.413 1.00 0.00 C
990
+ ATOM 989 CD LYS A 125 -16.376 -26.996 -7.642 1.00 0.00 C
991
+ ATOM 990 CE LYS A 125 -16.540 -28.431 -8.125 1.00 0.00 C
992
+ ATOM 991 NZ LYS A 125 -17.975 -28.792 -8.314 1.00 0.00 N
993
+ ATOM 992 N ALA A 126 -12.478 -23.769 -8.568 1.00 0.00 N
994
+ ATOM 993 CA ALA A 126 -11.716 -23.679 -9.810 1.00 0.00 C
995
+ ATOM 994 C ALA A 126 -10.216 -23.647 -9.532 1.00 0.00 C
996
+ ATOM 995 CB ALA A 126 -12.133 -22.441 -10.602 1.00 0.00 C
997
+ ATOM 996 O ALA A 126 -9.419 -24.133 -10.337 1.00 0.00 O
998
+ ATOM 997 N LEU A 127 -9.817 -23.155 -8.414 1.00 0.00 N
999
+ ATOM 998 CA LEU A 127 -8.407 -22.958 -8.097 1.00 0.00 C
1000
+ ATOM 999 C LEU A 127 -7.792 -24.233 -7.532 1.00 0.00 C
1001
+ ATOM 1000 CB LEU A 127 -8.238 -21.810 -7.097 1.00 0.00 C
1002
+ ATOM 1001 O LEU A 127 -6.567 -24.360 -7.464 1.00 0.00 O
1003
+ ATOM 1002 CG LEU A 127 -8.619 -20.415 -7.595 1.00 0.00 C
1004
+ ATOM 1003 CD1 LEU A 127 -8.422 -19.385 -6.489 1.00 0.00 C
1005
+ ATOM 1004 CD2 LEU A 127 -7.804 -20.045 -8.829 1.00 0.00 C
1006
+ ATOM 1005 N LYS A 128 -8.620 -25.207 -6.993 1.00 0.00 N
1007
+ ATOM 1006 CA LYS A 128 -8.115 -26.407 -6.331 1.00 0.00 C
1008
+ ATOM 1007 C LYS A 128 -7.152 -27.170 -7.236 1.00 0.00 C
1009
+ ATOM 1008 CB LYS A 128 -9.272 -27.316 -5.912 1.00 0.00 C
1010
+ ATOM 1009 O LYS A 128 -6.229 -27.828 -6.754 1.00 0.00 O
1011
+ ATOM 1010 CG LYS A 128 -10.032 -26.826 -4.688 1.00 0.00 C
1012
+ ATOM 1011 CD LYS A 128 -11.113 -27.814 -4.268 1.00 0.00 C
1013
+ ATOM 1012 CE LYS A 128 -11.890 -27.313 -3.058 1.00 0.00 C
1014
+ ATOM 1013 NZ LYS A 128 -12.991 -28.250 -2.682 1.00 0.00 N
1015
+ ATOM 1014 N ALA A 129 -7.407 -26.999 -8.479 1.00 0.00 N
1016
+ ATOM 1015 CA ALA A 129 -6.573 -27.738 -9.422 1.00 0.00 C
1017
+ ATOM 1016 C ALA A 129 -5.311 -26.955 -9.770 1.00 0.00 C
1018
+ ATOM 1017 CB ALA A 129 -7.361 -28.062 -10.689 1.00 0.00 C
1019
+ ATOM 1018 O ALA A 129 -4.458 -27.440 -10.517 1.00 0.00 O
1020
+ ATOM 1019 N LEU A 130 -5.125 -25.748 -9.190 1.00 0.00 N
1021
+ ATOM 1020 CA LEU A 130 -4.040 -24.848 -9.565 1.00 0.00 C
1022
+ ATOM 1021 C LEU A 130 -3.126 -24.576 -8.375 1.00 0.00 C
1023
+ ATOM 1022 CB LEU A 130 -4.599 -23.530 -10.106 1.00 0.00 C
1024
+ ATOM 1023 O LEU A 130 -3.575 -24.587 -7.226 1.00 0.00 O
1025
+ ATOM 1024 CG LEU A 130 -5.493 -23.629 -11.344 1.00 0.00 C
1026
+ ATOM 1025 CD1 LEU A 130 -6.116 -22.275 -11.658 1.00 0.00 C
1027
+ ATOM 1026 CD2 LEU A 130 -4.698 -24.147 -12.537 1.00 0.00 C
1028
+ ATOM 1027 N PRO A 131 -1.880 -24.517 -8.597 1.00 0.00 N
1029
+ ATOM 1028 CA PRO A 131 -0.943 -24.242 -7.504 1.00 0.00 C
1030
+ ATOM 1029 C PRO A 131 -1.014 -22.796 -7.019 1.00 0.00 C
1031
+ ATOM 1030 CB PRO A 131 0.422 -24.544 -8.127 1.00 0.00 C
1032
+ ATOM 1031 O PRO A 131 -0.065 -22.030 -7.208 1.00 0.00 O
1033
+ ATOM 1032 CG PRO A 131 0.265 -24.207 -9.574 1.00 0.00 C
1034
+ ATOM 1033 CD PRO A 131 -1.142 -24.530 -9.989 1.00 0.00 C
1035
+ ATOM 1034 N MET A 132 -2.150 -22.420 -6.513 1.00 0.00 N
1036
+ ATOM 1035 CA MET A 132 -2.360 -21.072 -5.996 1.00 0.00 C
1037
+ ATOM 1036 C MET A 132 -2.125 -21.022 -4.491 1.00 0.00 C
1038
+ ATOM 1037 CB MET A 132 -3.774 -20.586 -6.320 1.00 0.00 C
1039
+ ATOM 1038 O MET A 132 -2.707 -21.806 -3.740 1.00 0.00 O
1040
+ ATOM 1039 CG MET A 132 -4.083 -20.546 -7.809 1.00 0.00 C
1041
+ ATOM 1040 SD MET A 132 -3.031 -19.345 -8.713 1.00 0.00 S
1042
+ ATOM 1041 CE MET A 132 -3.369 -19.848 -10.423 1.00 0.00 C
1043
+ ATOM 1042 N HIS A 133 -1.212 -20.136 -3.978 1.00 0.00 N
1044
+ ATOM 1043 CA HIS A 133 -0.876 -20.081 -2.561 1.00 0.00 C
1045
+ ATOM 1044 C HIS A 133 -1.338 -18.769 -1.935 1.00 0.00 C
1046
+ ATOM 1045 CB HIS A 133 0.631 -20.255 -2.360 1.00 0.00 C
1047
+ ATOM 1046 O HIS A 133 -1.363 -18.635 -0.709 1.00 0.00 O
1048
+ ATOM 1047 CG HIS A 133 1.173 -21.517 -2.953 1.00 0.00 C
1049
+ ATOM 1048 CD2 HIS A 133 2.067 -21.719 -3.949 1.00 0.00 C
1050
+ ATOM 1049 ND1 HIS A 133 0.789 -22.768 -2.519 1.00 0.00 N
1051
+ ATOM 1050 CE1 HIS A 133 1.427 -23.687 -3.225 1.00 0.00 C
1052
+ ATOM 1051 NE2 HIS A 133 2.209 -23.076 -4.099 1.00 0.00 N
1053
+ ATOM 1052 N ILE A 134 -1.626 -17.915 -2.784 1.00 0.00 N
1054
+ ATOM 1053 CA ILE A 134 -2.048 -16.604 -2.303 1.00 0.00 C
1055
+ ATOM 1054 C ILE A 134 -3.468 -16.311 -2.780 1.00 0.00 C
1056
+ ATOM 1055 CB ILE A 134 -1.084 -15.493 -2.774 1.00 0.00 C
1057
+ ATOM 1056 O ILE A 134 -3.789 -16.514 -3.954 1.00 0.00 O
1058
+ ATOM 1057 CG1 ILE A 134 0.353 -15.814 -2.347 1.00 0.00 C
1059
+ ATOM 1058 CG2 ILE A 134 -1.524 -14.130 -2.231 1.00 0.00 C
1060
+ ATOM 1059 CD1 ILE A 134 1.402 -14.899 -2.964 1.00 0.00 C
1061
+ ATOM 1060 N ARG A 135 -4.222 -15.852 -1.841 1.00 0.00 N
1062
+ ATOM 1061 CA ARG A 135 -5.599 -15.475 -2.144 1.00 0.00 C
1063
+ ATOM 1062 C ARG A 135 -5.955 -14.138 -1.504 1.00 0.00 C
1064
+ ATOM 1063 CB ARG A 135 -6.571 -16.558 -1.671 1.00 0.00 C
1065
+ ATOM 1064 O ARG A 135 -5.695 -13.923 -0.319 1.00 0.00 O
1066
+ ATOM 1065 CG ARG A 135 -6.444 -17.872 -2.425 1.00 0.00 C
1067
+ ATOM 1066 CD ARG A 135 -7.385 -18.934 -1.872 1.00 0.00 C
1068
+ ATOM 1067 NE ARG A 135 -7.243 -20.202 -2.580 1.00 0.00 N
1069
+ ATOM 1068 NH1 ARG A 135 -7.590 -21.520 -0.714 1.00 0.00 N
1070
+ ATOM 1069 NH2 ARG A 135 -7.197 -22.492 -2.753 1.00 0.00 N
1071
+ ATOM 1070 CZ ARG A 135 -7.344 -21.401 -2.014 1.00 0.00 C
1072
+ ATOM 1071 N LEU A 136 -6.458 -13.291 -2.316 1.00 0.00 N
1073
+ ATOM 1072 CA LEU A 136 -6.930 -11.997 -1.835 1.00 0.00 C
1074
+ ATOM 1073 C LEU A 136 -8.412 -11.811 -2.141 1.00 0.00 C
1075
+ ATOM 1074 CB LEU A 136 -6.120 -10.862 -2.467 1.00 0.00 C
1076
+ ATOM 1075 O LEU A 136 -8.893 -12.246 -3.191 1.00 0.00 O
1077
+ ATOM 1076 CG LEU A 136 -4.611 -10.885 -2.217 1.00 0.00 C
1078
+ ATOM 1077 CD1 LEU A 136 -3.918 -9.818 -3.057 1.00 0.00 C
1079
+ ATOM 1078 CD2 LEU A 136 -4.311 -10.686 -0.736 1.00 0.00 C
1080
+ ATOM 1079 N SER A 137 -9.142 -11.301 -1.302 1.00 0.00 N
1081
+ ATOM 1080 CA SER A 137 -10.520 -10.882 -1.541 1.00 0.00 C
1082
+ ATOM 1081 C SER A 137 -10.684 -9.380 -1.335 1.00 0.00 C
1083
+ ATOM 1082 CB SER A 137 -11.478 -11.639 -0.621 1.00 0.00 C
1084
+ ATOM 1083 O SER A 137 -9.954 -8.772 -0.550 1.00 0.00 O
1085
+ ATOM 1084 OG SER A 137 -11.167 -11.394 0.739 1.00 0.00 O
1086
+ ATOM 1085 N PHE A 138 -11.489 -8.822 -2.123 1.00 0.00 N
1087
+ ATOM 1086 CA PHE A 138 -11.747 -7.387 -2.088 1.00 0.00 C
1088
+ ATOM 1087 C PHE A 138 -13.196 -7.107 -1.708 1.00 0.00 C
1089
+ ATOM 1088 CB PHE A 138 -11.427 -6.748 -3.443 1.00 0.00 C
1090
+ ATOM 1089 O PHE A 138 -14.072 -7.951 -1.915 1.00 0.00 O
1091
+ ATOM 1090 CG PHE A 138 -10.049 -7.067 -3.954 1.00 0.00 C
1092
+ ATOM 1091 CD1 PHE A 138 -8.933 -6.422 -3.434 1.00 0.00 C
1093
+ ATOM 1092 CD2 PHE A 138 -9.867 -8.013 -4.955 1.00 0.00 C
1094
+ ATOM 1093 CE1 PHE A 138 -7.655 -6.714 -3.905 1.00 0.00 C
1095
+ ATOM 1094 CE2 PHE A 138 -8.593 -8.312 -5.429 1.00 0.00 C
1096
+ ATOM 1095 CZ PHE A 138 -7.489 -7.661 -4.904 1.00 0.00 C
1097
+ ATOM 1096 N ASN A 139 -13.380 -6.042 -1.035 1.00 0.00 N
1098
+ ATOM 1097 CA ASN A 139 -14.718 -5.464 -0.976 1.00 0.00 C
1099
+ ATOM 1098 C ASN A 139 -15.043 -4.672 -2.239 1.00 0.00 C
1100
+ ATOM 1099 CB ASN A 139 -14.863 -4.573 0.260 1.00 0.00 C
1101
+ ATOM 1100 O ASN A 139 -14.435 -3.632 -2.499 1.00 0.00 O
1102
+ ATOM 1101 CG ASN A 139 -16.294 -4.133 0.498 1.00 0.00 C
1103
+ ATOM 1102 ND2 ASN A 139 -16.598 -3.743 1.731 1.00 0.00 N
1104
+ ATOM 1103 OD1 ASN A 139 -17.120 -4.144 -0.418 1.00 0.00 O
1105
+ ATOM 1104 N PRO A 140 -15.821 -5.124 -3.151 1.00 0.00 N
1106
+ ATOM 1105 CA PRO A 140 -16.019 -4.458 -4.441 1.00 0.00 C
1107
+ ATOM 1106 C PRO A 140 -16.545 -3.031 -4.294 1.00 0.00 C
1108
+ ATOM 1107 CB PRO A 140 -17.046 -5.349 -5.143 1.00 0.00 C
1109
+ ATOM 1108 O PRO A 140 -16.435 -2.231 -5.226 1.00 0.00 O
1110
+ ATOM 1109 CG PRO A 140 -17.382 -6.407 -4.142 1.00 0.00 C
1111
+ ATOM 1110 CD PRO A 140 -16.565 -6.170 -2.905 1.00 0.00 C
1112
+ ATOM 1111 N THR A 141 -17.231 -2.675 -3.222 1.00 0.00 N
1113
+ ATOM 1112 CA THR A 141 -17.807 -1.343 -3.071 1.00 0.00 C
1114
+ ATOM 1113 C THR A 141 -16.710 -0.284 -2.999 1.00 0.00 C
1115
+ ATOM 1114 CB THR A 141 -18.693 -1.257 -1.814 1.00 0.00 C
1116
+ ATOM 1115 O THR A 141 -16.986 0.912 -3.112 1.00 0.00 O
1117
+ ATOM 1116 CG2 THR A 141 -19.914 -2.161 -1.938 1.00 0.00 C
1118
+ ATOM 1117 OG1 THR A 141 -17.928 -1.657 -0.670 1.00 0.00 O
1119
+ ATOM 1118 N GLN A 142 -15.562 -0.678 -2.788 1.00 0.00 N
1120
+ ATOM 1119 CA GLN A 142 -14.478 0.265 -2.531 1.00 0.00 C
1121
+ ATOM 1120 C GLN A 142 -14.265 1.194 -3.723 1.00 0.00 C
1122
+ ATOM 1121 CB GLN A 142 -13.182 -0.480 -2.208 1.00 0.00 C
1123
+ ATOM 1122 O GLN A 142 -13.973 2.379 -3.548 1.00 0.00 O
1124
+ ATOM 1123 CG GLN A 142 -13.099 -0.974 -0.771 1.00 0.00 C
1125
+ ATOM 1124 CD GLN A 142 -11.787 -1.674 -0.464 1.00 0.00 C
1126
+ ATOM 1125 NE2 GLN A 142 -11.553 -1.963 0.811 1.00 0.00 N
1127
+ ATOM 1126 OE1 GLN A 142 -10.991 -1.950 -1.367 1.00 0.00 O
1128
+ ATOM 1127 N LEU A 143 -14.431 0.728 -4.912 1.00 0.00 N
1129
+ ATOM 1128 CA LEU A 143 -14.193 1.570 -6.079 1.00 0.00 C
1130
+ ATOM 1129 C LEU A 143 -15.314 2.590 -6.252 1.00 0.00 C
1131
+ ATOM 1130 CB LEU A 143 -14.068 0.714 -7.342 1.00 0.00 C
1132
+ ATOM 1131 O LEU A 143 -15.076 3.710 -6.707 1.00 0.00 O
1133
+ ATOM 1132 CG LEU A 143 -13.020 1.160 -8.363 1.00 0.00 C
1134
+ ATOM 1133 CD1 LEU A 143 -11.878 0.151 -8.425 1.00 0.00 C
1135
+ ATOM 1134 CD2 LEU A 143 -13.655 1.341 -9.737 1.00 0.00 C
1136
+ ATOM 1135 N GLU A 144 -16.588 2.190 -6.010 1.00 0.00 N
1137
+ ATOM 1136 CA GLU A 144 -17.718 3.088 -6.220 1.00 0.00 C
1138
+ ATOM 1137 C GLU A 144 -17.547 4.385 -5.434 1.00 0.00 C
1139
+ ATOM 1138 CB GLU A 144 -19.030 2.404 -5.825 1.00 0.00 C
1140
+ ATOM 1139 O GLU A 144 -17.969 5.452 -5.886 1.00 0.00 O
1141
+ ATOM 1140 CG GLU A 144 -19.578 1.466 -6.891 1.00 0.00 C
1142
+ ATOM 1141 CD GLU A 144 -21.098 1.443 -6.945 1.00 0.00 C
1143
+ ATOM 1142 OE1 GLU A 144 -21.747 1.761 -5.922 1.00 0.00 O
1144
+ ATOM 1143 OE2 GLU A 144 -21.644 1.104 -8.019 1.00 0.00 O
1145
+ ATOM 1144 N GLU A 145 -17.017 4.156 -4.337 1.00 0.00 N
1146
+ ATOM 1145 CA GLU A 145 -16.878 5.358 -3.521 1.00 0.00 C
1147
+ ATOM 1146 C GLU A 145 -15.830 6.302 -4.104 1.00 0.00 C
1148
+ ATOM 1147 CB GLU A 145 -16.512 4.991 -2.080 1.00 0.00 C
1149
+ ATOM 1148 O GLU A 145 -15.940 7.522 -3.963 1.00 0.00 O
1150
+ ATOM 1149 CG GLU A 145 -17.643 4.328 -1.308 1.00 0.00 C
1151
+ ATOM 1150 CD GLU A 145 -17.270 3.984 0.125 1.00 0.00 C
1152
+ ATOM 1151 OE1 GLU A 145 -16.113 4.240 0.530 1.00 0.00 O
1153
+ ATOM 1152 OE2 GLU A 145 -18.141 3.454 0.850 1.00 0.00 O
1154
+ ATOM 1153 N GLN A 146 -14.952 5.771 -4.865 1.00 0.00 N
1155
+ ATOM 1154 CA GLN A 146 -13.803 6.583 -5.250 1.00 0.00 C
1156
+ ATOM 1155 C GLN A 146 -13.792 6.841 -6.754 1.00 0.00 C
1157
+ ATOM 1156 CB GLN A 146 -12.499 5.907 -4.824 1.00 0.00 C
1158
+ ATOM 1157 O GLN A 146 -13.266 7.858 -7.212 1.00 0.00 O
1159
+ ATOM 1158 CG GLN A 146 -12.320 5.814 -3.314 1.00 0.00 C
1160
+ ATOM 1159 CD GLN A 146 -10.990 5.200 -2.918 1.00 0.00 C
1161
+ ATOM 1160 NE2 GLN A 146 -10.762 5.069 -1.615 1.00 0.00 N
1162
+ ATOM 1161 OE1 GLN A 146 -10.175 4.845 -3.775 1.00 0.00 O
1163
+ ATOM 1162 N CYS A 147 -14.336 5.982 -7.613 1.00 0.00 N
1164
+ ATOM 1163 CA CYS A 147 -14.337 6.089 -9.068 1.00 0.00 C
1165
+ ATOM 1164 C CYS A 147 -15.754 5.996 -9.621 1.00 0.00 C
1166
+ ATOM 1165 CB CYS A 147 -13.465 4.997 -9.687 1.00 0.00 C
1167
+ ATOM 1166 O CYS A 147 -16.450 5.006 -9.392 1.00 0.00 O
1168
+ ATOM 1167 SG CYS A 147 -11.696 5.239 -9.417 1.00 0.00 S
1169
+ ATOM 1168 N HIS A 148 -16.530 7.208 -9.910 1.00 0.00 N
1170
+ ATOM 1169 CA HIS A 148 -17.863 7.274 -10.497 1.00 0.00 C
1171
+ ATOM 1170 C HIS A 148 -17.796 7.254 -12.020 1.00 0.00 C
1172
+ ATOM 1171 CB HIS A 148 -18.596 8.530 -10.021 1.00 0.00 C
1173
+ ATOM 1172 O HIS A 148 -16.841 7.763 -12.611 1.00 0.00 O
1174
+ ATOM 1173 CG HIS A 148 -18.795 8.583 -8.539 1.00 0.00 C
1175
+ ATOM 1174 CD2 HIS A 148 -18.263 9.400 -7.600 1.00 0.00 C
1176
+ ATOM 1175 ND1 HIS A 148 -19.630 7.715 -7.869 1.00 0.00 N
1177
+ ATOM 1176 CE1 HIS A 148 -19.603 7.998 -6.577 1.00 0.00 C
1178
+ ATOM 1177 NE2 HIS A 148 -18.780 9.016 -6.388 1.00 0.00 N
1179
+ ATOM 1178 N ILE A 149 -18.563 6.370 -12.688 1.00 0.00 N
1180
+ ATOM 1179 CA ILE A 149 -18.787 6.516 -14.122 1.00 0.00 C
1181
+ ATOM 1180 C ILE A 149 -19.619 7.768 -14.389 1.00 0.00 C
1182
+ ATOM 1181 CB ILE A 149 -19.483 5.273 -14.717 1.00 0.00 C
1183
+ ATOM 1182 O ILE A 149 -20.549 8.075 -13.639 1.00 0.00 O
1184
+ ATOM 1183 CG1 ILE A 149 -18.628 4.021 -14.488 1.00 0.00 C
1185
+ ATOM 1184 CG2 ILE A 149 -19.771 5.475 -16.207 1.00 0.00 C
1186
+ ATOM 1185 CD1 ILE A 149 -19.330 2.718 -14.844 1.00 0.00 C
1187
+ ATOM 1186 OXT ILE A 149 -18.917 7.951 -15.356 1.00 0.00 O
1188
+ TER 1187 ILE A 149
1189
+ CONECT 482 1167
1190
+ CONECT 786 836
1191
+ CONECT 836 786
1192
+ CONECT 1167 482
1193
+ END
6qi7/6qi7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qi7/6qi7_rdkit_ligand.pdb ADDED
@@ -0,0 +1,69 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qi7_ligand
2
+ HETATM 1 C1 UNL 1 -6.926 0.907 0.221 1.00 0.00 C
3
+ HETATM 2 O1 UNL 1 -6.254 1.242 -0.777 1.00 0.00 O
4
+ HETATM 3 O2 UNL 1 -7.827 1.842 0.711 1.00 0.00 O
5
+ HETATM 4 C2 UNL 1 -6.758 -0.408 0.829 1.00 0.00 C
6
+ HETATM 5 C3 UNL 1 -5.712 -1.292 0.271 1.00 0.00 C
7
+ HETATM 6 C4 UNL 1 -4.333 -0.682 0.418 1.00 0.00 C
8
+ HETATM 7 C5 UNL 1 -3.266 -1.588 -0.147 1.00 0.00 C
9
+ HETATM 8 C6 UNL 1 -1.920 -0.953 0.045 1.00 0.00 C
10
+ HETATM 9 C7 UNL 1 -1.847 0.349 -0.659 1.00 0.00 C
11
+ HETATM 10 C8 UNL 1 -0.498 1.054 -0.532 1.00 0.00 C
12
+ HETATM 11 C9 UNL 1 0.552 0.177 -1.120 1.00 0.00 C
13
+ HETATM 12 C10 UNL 1 1.937 0.807 -1.048 1.00 0.00 C
14
+ HETATM 13 C11 UNL 1 2.326 1.078 0.387 1.00 0.00 C
15
+ HETATM 14 C12 UNL 1 3.690 1.706 0.467 1.00 0.00 C
16
+ HETATM 15 C13 UNL 1 4.768 0.835 -0.124 1.00 0.00 C
17
+ HETATM 16 C14 UNL 1 4.860 -0.496 0.585 1.00 0.00 C
18
+ HETATM 17 C15 UNL 1 5.941 -1.371 -0.002 1.00 0.00 C
19
+ HETATM 18 C16 UNL 1 7.300 -0.758 0.078 1.00 0.00 C
20
+ HETATM 19 H1 UNL 1 -7.652 2.847 0.657 1.00 0.00 H
21
+ HETATM 20 H2 UNL 1 -6.510 -0.246 1.913 1.00 0.00 H
22
+ HETATM 21 H3 UNL 1 -7.707 -0.998 0.864 1.00 0.00 H
23
+ HETATM 22 H4 UNL 1 -5.855 -1.553 -0.799 1.00 0.00 H
24
+ HETATM 23 H5 UNL 1 -5.688 -2.248 0.833 1.00 0.00 H
25
+ HETATM 24 H6 UNL 1 -4.142 -0.625 1.525 1.00 0.00 H
26
+ HETATM 25 H7 UNL 1 -4.344 0.282 -0.073 1.00 0.00 H
27
+ HETATM 26 H8 UNL 1 -3.257 -2.579 0.355 1.00 0.00 H
28
+ HETATM 27 H9 UNL 1 -3.469 -1.700 -1.245 1.00 0.00 H
29
+ HETATM 28 H10 UNL 1 -1.088 -1.648 -0.189 1.00 0.00 H
30
+ HETATM 29 H11 UNL 1 -1.841 -0.767 1.161 1.00 0.00 H
31
+ HETATM 30 H12 UNL 1 -2.132 0.271 -1.727 1.00 0.00 H
32
+ HETATM 31 H13 UNL 1 -2.572 1.080 -0.209 1.00 0.00 H
33
+ HETATM 32 H14 UNL 1 -0.357 1.266 0.542 1.00 0.00 H
34
+ HETATM 33 H15 UNL 1 -0.566 1.977 -1.112 1.00 0.00 H
35
+ HETATM 34 H16 UNL 1 0.657 -0.818 -0.682 1.00 0.00 H
36
+ HETATM 35 H17 UNL 1 0.322 0.067 -2.210 1.00 0.00 H
37
+ HETATM 36 H18 UNL 1 2.041 1.694 -1.689 1.00 0.00 H
38
+ HETATM 37 H19 UNL 1 2.625 -0.004 -1.419 1.00 0.00 H
39
+ HETATM 38 H20 UNL 1 2.343 0.134 0.975 1.00 0.00 H
40
+ HETATM 39 H21 UNL 1 1.592 1.741 0.894 1.00 0.00 H
41
+ HETATM 40 H22 UNL 1 3.927 2.022 1.496 1.00 0.00 H
42
+ HETATM 41 H23 UNL 1 3.636 2.637 -0.169 1.00 0.00 H
43
+ HETATM 42 H24 UNL 1 4.533 0.627 -1.187 1.00 0.00 H
44
+ HETATM 43 H25 UNL 1 5.751 1.358 -0.143 1.00 0.00 H
45
+ HETATM 44 H26 UNL 1 3.916 -1.067 0.504 1.00 0.00 H
46
+ HETATM 45 H27 UNL 1 5.069 -0.354 1.662 1.00 0.00 H
47
+ HETATM 46 H28 UNL 1 5.737 -1.600 -1.071 1.00 0.00 H
48
+ HETATM 47 H29 UNL 1 5.962 -2.349 0.518 1.00 0.00 H
49
+ HETATM 48 H30 UNL 1 7.557 -0.207 -0.858 1.00 0.00 H
50
+ HETATM 49 H31 UNL 1 7.429 -0.117 0.984 1.00 0.00 H
51
+ HETATM 50 H32 UNL 1 8.048 -1.573 0.161 1.00 0.00 H
52
+ CONECT 1 2 2 3 4
53
+ CONECT 3 19
54
+ CONECT 4 5 20 21
55
+ CONECT 5 6 22 23
56
+ CONECT 6 7 24 25
57
+ CONECT 7 8 26 27
58
+ CONECT 8 9 28 29
59
+ CONECT 9 10 30 31
60
+ CONECT 10 11 32 33
61
+ CONECT 11 12 34 35
62
+ CONECT 12 13 36 37
63
+ CONECT 13 14 38 39
64
+ CONECT 14 15 40 41
65
+ CONECT 15 16 42 43
66
+ CONECT 16 17 44 45
67
+ CONECT 17 18 46 47
68
+ CONECT 18 48 49 50
69
+ END
6qln/6qln_ligand.mol2 ADDED
@@ -0,0 +1,123 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:16:32 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qln_ligand
7
+ 52 55 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C20 -12.9360 8.4810 0.1660 C.ar 1 J5Q -0.0216
14
+ 2 C21 -12.9640 8.5080 1.5630 C.ar 1 J5Q -0.0268
15
+ 3 C22 -11.8080 8.7520 2.2360 C.ar 1 J5Q 0.1281
16
+ 4 C24 -10.5800 8.9520 1.6800 C.ar 1 J5Q -0.0325
17
+ 5 C26 -11.6880 8.6720 -0.4400 C.ar 1 J5Q -0.0640
18
+ 6 C01 -25.2820 9.0000 -5.6420 C.3 1 J5Q -0.0343
19
+ 7 C02 -24.1830 9.3200 -4.6980 C.ar 1 J5Q -0.0527
20
+ 8 C03 -23.4710 8.3270 -4.0460 C.ar 1 J5Q -0.0663
21
+ 9 C04 -22.4450 8.6100 -3.1500 C.ar 1 J5Q -0.0563
22
+ 10 C05 -23.7970 10.6270 -4.3940 C.ar 1 J5Q -0.0663
23
+ 11 C06 -22.7700 10.9190 -3.5050 C.ar 1 J5Q -0.0563
24
+ 12 C07 -22.0730 9.9190 -2.8580 C.ar 1 J5Q 0.0110
25
+ 13 C09 -19.7240 8.7740 -1.7470 C.3 1 J5Q 0.1452
26
+ 14 C11 -19.6580 6.5630 -0.9250 C.3 1 J5Q 0.1124
27
+ 15 C12 -20.3930 5.6140 0.0290 C.3 1 J5Q 0.0730
28
+ 16 C14 -18.1720 6.7050 -0.5910 C.3 1 J5Q 0.1196
29
+ 17 C16 -17.5720 7.7270 -1.5630 C.3 1 J5Q 0.1478
30
+ 18 C18 -15.4440 8.2550 -0.2680 C.2 1 J5Q 0.0882
31
+ 19 C19 -14.1110 8.1930 -0.6190 C.2 1 J5Q 0.0691
32
+ 20 C25 -10.5380 8.9020 0.2990 C.ar 1 J5Q -0.0678
33
+ 21 C29 -18.2590 9.0900 -1.4590 C.3 1 J5Q 0.1286
34
+ 22 F23 -11.8740 8.7590 3.6190 F 1 J5Q -0.1847
35
+ 23 N17 -16.1540 7.8630 -1.3910 N.pl3 1 J5Q -0.1587
36
+ 24 N27 -14.1000 7.7820 -1.9520 N.2 1 J5Q -0.2165
37
+ 25 N28 -15.2800 7.5710 -2.3900 N.2 1 J5Q -0.0900
38
+ 26 O10 -20.2820 7.8680 -0.8000 O.3 1 J5Q -0.3530
39
+ 27 O13 -21.7390 5.4760 -0.3400 O.3 1 J5Q -0.3924
40
+ 28 O15 -18.0020 7.0960 0.7120 O.3 1 J5Q -0.3857
41
+ 29 O30 -17.7800 9.8850 -2.5160 O.3 1 J5Q -0.3847
42
+ 30 S08 -20.7380 10.2540 -1.7430 S.3 1 J5Q -0.0726
43
+ 31 H1 -13.8901 8.3376 2.1000 H 1 J5Q 0.0566
44
+ 32 H2 -9.6963 9.1377 2.2797 H 1 J5Q 0.0569
45
+ 33 H3 -11.6191 8.6389 -1.5213 H 1 J5Q 0.0548
46
+ 34 H4 -25.3960 7.9084 -5.7155 H 1 J5Q 0.0378
47
+ 35 H5 -25.0446 9.4115 -6.6341 H 1 J5Q 0.0378
48
+ 36 H6 -26.2202 9.4428 -5.2762 H 1 J5Q 0.0378
49
+ 37 H7 -23.7225 7.2908 -4.2411 H 1 J5Q 0.0540
50
+ 38 H8 -21.9229 7.7915 -2.6678 H 1 J5Q 0.0548
51
+ 39 H9 -24.3202 11.4477 -4.8713 H 1 J5Q 0.0540
52
+ 40 H10 -22.5107 11.9543 -3.3156 H 1 J5Q 0.0548
53
+ 41 H11 -19.7771 8.3136 -2.7446 H 1 J5Q 0.0764
54
+ 42 H12 -19.7600 6.1918 -1.9554 H 1 J5Q 0.0646
55
+ 43 H13 -20.3394 6.0179 1.0507 H 1 J5Q 0.0584
56
+ 44 H14 -19.9085 4.6269 -0.0010 H 1 J5Q 0.0584
57
+ 45 H15 -17.6732 5.7350 -0.7334 H 1 J5Q 0.0655
58
+ 46 H16 -17.7456 7.3474 -2.5807 H 1 J5Q 0.0746
59
+ 47 H17 -15.8545 8.5518 0.6960 H 1 J5Q 0.1078
60
+ 48 H18 -9.5931 9.0446 -0.2128 H 1 J5Q 0.0596
61
+ 49 H19 -18.1101 9.5704 -0.4807 H 1 J5Q 0.0664
62
+ 50 H20 -22.1626 6.3259 -0.3122 H 1 J5Q 0.2095
63
+ 51 H21 -17.0742 7.1812 0.8974 H 1 J5Q 0.2100
64
+ 52 H22 -17.9895 9.4688 -3.3439 H 1 J5Q 0.2101
65
+ @<TRIPOS>BOND
66
+ 1 1 2 ar
67
+ 2 1 5 ar
68
+ 3 19 1 1
69
+ 4 2 3 ar
70
+ 5 3 4 ar
71
+ 6 3 22 1
72
+ 7 20 4 ar
73
+ 8 5 20 ar
74
+ 9 7 6 1
75
+ 10 8 7 ar
76
+ 11 10 7 ar
77
+ 12 9 8 ar
78
+ 13 12 9 ar
79
+ 14 11 10 ar
80
+ 15 12 11 ar
81
+ 16 30 12 1
82
+ 17 21 13 1
83
+ 18 13 26 1
84
+ 19 13 30 1
85
+ 20 14 15 1
86
+ 21 16 14 1
87
+ 22 14 26 1
88
+ 23 15 27 1
89
+ 24 17 16 1
90
+ 25 16 28 1
91
+ 26 17 21 1
92
+ 27 23 17 1
93
+ 28 18 19 2
94
+ 29 18 23 1
95
+ 30 19 24 1
96
+ 31 21 29 1
97
+ 32 23 25 1
98
+ 33 24 25 2
99
+ 34 2 31 1
100
+ 35 4 32 1
101
+ 36 5 33 1
102
+ 37 6 34 1
103
+ 38 6 35 1
104
+ 39 6 36 1
105
+ 40 8 37 1
106
+ 41 9 38 1
107
+ 42 10 39 1
108
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-08-19
2
+ ATOM 1 N PRO A 1 6.485 5.056 10.114 1.00 0.00 N
3
+ ATOM 2 CA PRO A 1 5.083 5.177 9.707 1.00 0.00 C
4
+ ATOM 3 C PRO A 1 4.856 4.791 8.248 1.00 0.00 C
5
+ ATOM 4 CB PRO A 1 4.776 6.659 9.934 1.00 0.00 C
6
+ ATOM 5 O PRO A 1 5.729 5.012 7.404 1.00 0.00 O
7
+ ATOM 6 CG PRO A 1 6.109 7.292 10.174 1.00 0.00 C
8
+ ATOM 7 CD PRO A 1 7.120 6.206 10.402 1.00 0.00 C
9
+ ATOM 8 N LEU A 2 3.770 4.111 7.910 1.00 0.00 N
10
+ ATOM 9 CA LEU A 2 3.400 3.800 6.533 1.00 0.00 C
11
+ ATOM 10 C LEU A 2 2.806 5.022 5.841 1.00 0.00 C
12
+ ATOM 11 CB LEU A 2 2.400 2.641 6.496 1.00 0.00 C
13
+ ATOM 12 O LEU A 2 2.100 5.815 6.467 1.00 0.00 O
14
+ ATOM 13 CG LEU A 2 2.874 1.317 7.097 1.00 0.00 C
15
+ ATOM 14 CD1 LEU A 2 1.736 0.302 7.106 1.00 0.00 C
16
+ ATOM 15 CD2 LEU A 2 4.072 0.778 6.325 1.00 0.00 C
17
+ ATOM 16 N ILE A 3 3.059 5.143 4.605 1.00 0.00 N
18
+ ATOM 17 CA ILE A 3 2.593 6.307 3.860 1.00 0.00 C
19
+ ATOM 18 C ILE A 3 1.158 6.079 3.392 1.00 0.00 C
20
+ ATOM 19 CB ILE A 3 3.509 6.610 2.653 1.00 0.00 C
21
+ ATOM 20 O ILE A 3 0.854 5.055 2.776 1.00 0.00 O
22
+ ATOM 21 CG1 ILE A 3 4.937 6.901 3.126 1.00 0.00 C
23
+ ATOM 22 CG2 ILE A 3 2.953 7.780 1.834 1.00 0.00 C
24
+ ATOM 23 CD1 ILE A 3 5.953 7.009 1.997 1.00 0.00 C
25
+ ATOM 24 N VAL A 4 0.291 7.041 3.568 1.00 0.00 N
26
+ ATOM 25 CA VAL A 4 -1.111 7.009 3.165 1.00 0.00 C
27
+ ATOM 26 C VAL A 4 -1.323 7.916 1.956 1.00 0.00 C
28
+ ATOM 27 CB VAL A 4 -2.043 7.436 4.322 1.00 0.00 C
29
+ ATOM 28 O VAL A 4 -0.823 9.043 1.922 1.00 0.00 O
30
+ ATOM 29 CG1 VAL A 4 -3.495 7.497 3.850 1.00 0.00 C
31
+ ATOM 30 CG2 VAL A 4 -1.901 6.479 5.503 1.00 0.00 C
32
+ ATOM 31 N PRO A 5 -1.968 7.460 0.891 1.00 0.00 N
33
+ ATOM 32 CA PRO A 5 -2.722 6.209 0.791 1.00 0.00 C
34
+ ATOM 33 C PRO A 5 -1.819 4.979 0.752 1.00 0.00 C
35
+ ATOM 34 CB PRO A 5 -3.489 6.363 -0.525 1.00 0.00 C
36
+ ATOM 35 O PRO A 5 -0.707 5.040 0.220 1.00 0.00 O
37
+ ATOM 36 CG PRO A 5 -2.650 7.282 -1.352 1.00 0.00 C
38
+ ATOM 37 CD PRO A 5 -1.940 8.236 -0.433 1.00 0.00 C
39
+ ATOM 38 N TYR A 6 -2.299 3.927 1.409 1.00 0.00 N
40
+ ATOM 39 CA TYR A 6 -1.577 2.666 1.536 1.00 0.00 C
41
+ ATOM 40 C TYR A 6 -2.380 1.515 0.943 1.00 0.00 C
42
+ ATOM 41 CB TYR A 6 -1.255 2.376 3.006 1.00 0.00 C
43
+ ATOM 42 O TYR A 6 -3.604 1.466 1.088 1.00 0.00 O
44
+ ATOM 43 CG TYR A 6 -0.476 1.100 3.216 1.00 0.00 C
45
+ ATOM 44 CD1 TYR A 6 -1.115 -0.067 3.632 1.00 0.00 C
46
+ ATOM 45 CD2 TYR A 6 0.896 1.060 3.002 1.00 0.00 C
47
+ ATOM 46 CE1 TYR A 6 -0.401 -1.244 3.829 1.00 0.00 C
48
+ ATOM 47 CE2 TYR A 6 1.620 -0.112 3.196 1.00 0.00 C
49
+ ATOM 48 OH TYR A 6 1.675 -2.420 3.803 1.00 0.00 O
50
+ ATOM 49 CZ TYR A 6 0.964 -1.258 3.609 1.00 0.00 C
51
+ ATOM 50 N ASN A 7 -1.691 0.551 0.291 1.00 0.00 N
52
+ ATOM 51 CA ASN A 7 -2.294 -0.664 -0.249 1.00 0.00 C
53
+ ATOM 52 C ASN A 7 -1.710 -1.916 0.400 1.00 0.00 C
54
+ ATOM 53 CB ASN A 7 -2.117 -0.722 -1.768 1.00 0.00 C
55
+ ATOM 54 O ASN A 7 -0.521 -2.202 0.249 1.00 0.00 O
56
+ ATOM 55 CG ASN A 7 -2.953 0.314 -2.493 1.00 0.00 C
57
+ ATOM 56 ND2 ASN A 7 -2.295 1.176 -3.259 1.00 0.00 N
58
+ ATOM 57 OD1 ASN A 7 -4.180 0.339 -2.366 1.00 0.00 O
59
+ ATOM 58 N LEU A 8 -2.552 -2.621 1.077 1.00 0.00 N
60
+ ATOM 59 CA LEU A 8 -2.207 -3.949 1.572 1.00 0.00 C
61
+ ATOM 60 C LEU A 8 -2.605 -5.024 0.565 1.00 0.00 C
62
+ ATOM 61 CB LEU A 8 -2.888 -4.215 2.916 1.00 0.00 C
63
+ ATOM 62 O LEU A 8 -3.794 -5.285 0.368 1.00 0.00 O
64
+ ATOM 63 CG LEU A 8 -2.598 -5.568 3.568 1.00 0.00 C
65
+ ATOM 64 CD1 LEU A 8 -1.113 -5.694 3.889 1.00 0.00 C
66
+ ATOM 65 CD2 LEU A 8 -3.440 -5.746 4.827 1.00 0.00 C
67
+ ATOM 66 N PRO A 9 -1.616 -5.693 -0.053 1.00 0.00 N
68
+ ATOM 67 CA PRO A 9 -1.953 -6.812 -0.936 1.00 0.00 C
69
+ ATOM 68 C PRO A 9 -2.507 -8.016 -0.178 1.00 0.00 C
70
+ ATOM 69 CB PRO A 9 -0.616 -7.152 -1.600 1.00 0.00 C
71
+ ATOM 70 O PRO A 9 -2.044 -8.323 0.924 1.00 0.00 O
72
+ ATOM 71 CG PRO A 9 0.421 -6.733 -0.608 1.00 0.00 C
73
+ ATOM 72 CD PRO A 9 -0.122 -5.583 0.192 1.00 0.00 C
74
+ ATOM 73 N LEU A 10 -3.477 -8.639 -0.721 1.00 0.00 N
75
+ ATOM 74 CA LEU A 10 -4.085 -9.866 -0.221 1.00 0.00 C
76
+ ATOM 75 C LEU A 10 -3.971 -10.988 -1.250 1.00 0.00 C
77
+ ATOM 76 CB LEU A 10 -5.555 -9.631 0.133 1.00 0.00 C
78
+ ATOM 77 O LEU A 10 -4.967 -11.370 -1.869 1.00 0.00 O
79
+ ATOM 78 CG LEU A 10 -5.839 -8.517 1.143 1.00 0.00 C
80
+ ATOM 79 CD1 LEU A 10 -7.339 -8.255 1.235 1.00 0.00 C
81
+ ATOM 80 CD2 LEU A 10 -5.269 -8.878 2.511 1.00 0.00 C
82
+ ATOM 81 N PRO A 11 -2.793 -11.554 -1.259 1.00 0.00 N
83
+ ATOM 82 CA PRO A 11 -2.586 -12.595 -2.268 1.00 0.00 C
84
+ ATOM 83 C PRO A 11 -3.542 -13.775 -2.104 1.00 0.00 C
85
+ ATOM 84 CB PRO A 11 -1.137 -13.030 -2.034 1.00 0.00 C
86
+ ATOM 85 O PRO A 11 -3.715 -14.285 -0.994 1.00 0.00 O
87
+ ATOM 86 CG PRO A 11 -0.808 -12.541 -0.660 1.00 0.00 C
88
+ ATOM 87 CD PRO A 11 -1.804 -11.482 -0.281 1.00 0.00 C
89
+ ATOM 88 N GLY A 12 -4.282 -14.140 -3.028 1.00 0.00 N
90
+ ATOM 89 CA GLY A 12 -5.256 -15.218 -3.000 1.00 0.00 C
91
+ ATOM 90 C GLY A 12 -6.638 -14.764 -2.570 1.00 0.00 C
92
+ ATOM 91 O GLY A 12 -7.545 -15.583 -2.412 1.00 0.00 O
93
+ ATOM 92 N GLY A 13 -6.705 -13.534 -2.308 1.00 0.00 N
94
+ ATOM 93 CA GLY A 13 -7.960 -12.939 -1.879 1.00 0.00 C
95
+ ATOM 94 C GLY A 13 -8.220 -13.097 -0.394 1.00 0.00 C
96
+ ATOM 95 O GLY A 13 -7.337 -13.521 0.355 1.00 0.00 O
97
+ ATOM 96 N VAL A 14 -9.449 -12.633 0.041 1.00 0.00 N
98
+ ATOM 97 CA VAL A 14 -9.832 -12.848 1.432 1.00 0.00 C
99
+ ATOM 98 C VAL A 14 -10.536 -14.196 1.571 1.00 0.00 C
100
+ ATOM 99 CB VAL A 14 -10.745 -11.715 1.951 1.00 0.00 C
101
+ ATOM 100 O VAL A 14 -11.233 -14.638 0.655 1.00 0.00 O
102
+ ATOM 101 CG1 VAL A 14 -10.019 -10.372 1.902 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 14 -12.038 -11.658 1.141 1.00 0.00 C
104
+ ATOM 103 N VAL A 15 -10.372 -14.818 2.748 1.00 0.00 N
105
+ ATOM 104 CA VAL A 15 -11.001 -16.099 3.055 1.00 0.00 C
106
+ ATOM 105 C VAL A 15 -11.605 -16.055 4.457 1.00 0.00 C
107
+ ATOM 106 CB VAL A 15 -9.996 -17.267 2.942 1.00 0.00 C
108
+ ATOM 107 O VAL A 15 -11.152 -15.290 5.311 1.00 0.00 O
109
+ ATOM 108 CG1 VAL A 15 -9.524 -17.437 1.500 1.00 0.00 C
110
+ ATOM 109 CG2 VAL A 15 -8.806 -17.036 3.873 1.00 0.00 C
111
+ ATOM 110 N PRO A 16 -12.691 -16.855 4.684 1.00 0.00 N
112
+ ATOM 111 CA PRO A 16 -13.232 -16.896 6.044 1.00 0.00 C
113
+ ATOM 112 C PRO A 16 -12.154 -17.117 7.103 1.00 0.00 C
114
+ ATOM 113 CB PRO A 16 -14.205 -18.078 6.001 1.00 0.00 C
115
+ ATOM 114 O PRO A 16 -11.228 -17.905 6.892 1.00 0.00 O
116
+ ATOM 115 CG PRO A 16 -14.695 -18.117 4.590 1.00 0.00 C
117
+ ATOM 116 CD PRO A 16 -13.548 -17.792 3.677 1.00 0.00 C
118
+ ATOM 117 N ARG A 17 -12.242 -16.456 8.190 1.00 0.00 N
119
+ ATOM 118 CA ARG A 17 -11.382 -16.499 9.368 1.00 0.00 C
120
+ ATOM 119 C ARG A 17 -10.099 -15.710 9.139 1.00 0.00 C
121
+ ATOM 120 CB ARG A 17 -11.049 -17.946 9.739 1.00 0.00 C
122
+ ATOM 121 O ARG A 17 -9.197 -15.722 9.979 1.00 0.00 O
123
+ ATOM 122 CG ARG A 17 -12.262 -18.780 10.116 1.00 0.00 C
124
+ ATOM 123 CD ARG A 17 -11.861 -20.116 10.727 1.00 0.00 C
125
+ ATOM 124 NE ARG A 17 -11.024 -19.936 11.910 1.00 0.00 N
126
+ ATOM 125 NH1 ARG A 17 -12.423 -21.101 13.331 1.00 0.00 N
127
+ ATOM 126 NH2 ARG A 17 -10.476 -20.187 14.126 1.00 0.00 N
128
+ ATOM 127 CZ ARG A 17 -11.310 -20.409 13.120 1.00 0.00 C
129
+ ATOM 128 N MET A 18 -9.990 -15.059 8.070 1.00 0.00 N
130
+ ATOM 129 CA MET A 18 -8.941 -14.055 7.911 1.00 0.00 C
131
+ ATOM 130 C MET A 18 -9.246 -12.812 8.740 1.00 0.00 C
132
+ ATOM 131 CB MET A 18 -8.779 -13.675 6.438 1.00 0.00 C
133
+ ATOM 132 O MET A 18 -10.339 -12.251 8.645 1.00 0.00 O
134
+ ATOM 133 CG MET A 18 -7.638 -12.706 6.177 1.00 0.00 C
135
+ ATOM 134 SD MET A 18 -7.499 -12.243 4.406 1.00 0.00 S
136
+ ATOM 135 CE MET A 18 -6.810 -13.779 3.728 1.00 0.00 C
137
+ ATOM 136 N LEU A 19 -8.265 -12.423 9.574 1.00 0.00 N
138
+ ATOM 137 CA LEU A 19 -8.346 -11.222 10.399 1.00 0.00 C
139
+ ATOM 138 C LEU A 19 -7.382 -10.152 9.897 1.00 0.00 C
140
+ ATOM 139 CB LEU A 19 -8.041 -11.555 11.862 1.00 0.00 C
141
+ ATOM 140 O LEU A 19 -6.170 -10.372 9.858 1.00 0.00 O
142
+ ATOM 141 CG LEU A 19 -8.116 -10.391 12.851 1.00 0.00 C
143
+ ATOM 142 CD1 LEU A 19 -9.551 -9.885 12.967 1.00 0.00 C
144
+ ATOM 143 CD2 LEU A 19 -7.581 -10.813 14.216 1.00 0.00 C
145
+ ATOM 144 N ILE A 20 -7.875 -9.014 9.519 1.00 0.00 N
146
+ ATOM 145 CA ILE A 20 -7.078 -7.857 9.129 1.00 0.00 C
147
+ ATOM 146 C ILE A 20 -6.994 -6.873 10.294 1.00 0.00 C
148
+ ATOM 147 CB ILE A 20 -7.665 -7.161 7.881 1.00 0.00 C
149
+ ATOM 148 O ILE A 20 -8.011 -6.537 10.905 1.00 0.00 O
150
+ ATOM 149 CG1 ILE A 20 -7.725 -8.141 6.703 1.00 0.00 C
151
+ ATOM 150 CG2 ILE A 20 -6.844 -5.920 7.519 1.00 0.00 C
152
+ ATOM 151 CD1 ILE A 20 -9.086 -8.797 6.513 1.00 0.00 C
153
+ ATOM 152 N THR A 21 -5.798 -6.435 10.619 1.00 0.00 N
154
+ ATOM 153 CA THR A 21 -5.557 -5.496 11.708 1.00 0.00 C
155
+ ATOM 154 C THR A 21 -4.884 -4.227 11.189 1.00 0.00 C
156
+ ATOM 155 CB THR A 21 -4.686 -6.127 12.809 1.00 0.00 C
157
+ ATOM 156 O THR A 21 -3.870 -4.298 10.493 1.00 0.00 O
158
+ ATOM 157 CG2 THR A 21 -4.539 -5.187 14.002 1.00 0.00 C
159
+ ATOM 158 OG1 THR A 21 -5.294 -7.348 13.249 1.00 0.00 O
160
+ ATOM 159 N ILE A 22 -5.481 -3.089 11.499 1.00 0.00 N
161
+ ATOM 160 CA ILE A 22 -4.969 -1.772 11.138 1.00 0.00 C
162
+ ATOM 161 C ILE A 22 -4.726 -0.950 12.402 1.00 0.00 C
163
+ ATOM 162 CB ILE A 22 -5.937 -1.027 10.192 1.00 0.00 C
164
+ ATOM 163 O ILE A 22 -5.637 -0.759 13.211 1.00 0.00 O
165
+ ATOM 164 CG1 ILE A 22 -6.185 -1.851 8.924 1.00 0.00 C
166
+ ATOM 165 CG2 ILE A 22 -5.393 0.362 9.846 1.00 0.00 C
167
+ ATOM 166 CD1 ILE A 22 -7.572 -1.664 8.324 1.00 0.00 C
168
+ ATOM 167 N LEU A 23 -3.536 -0.495 12.598 1.00 0.00 N
169
+ ATOM 168 CA LEU A 23 -3.137 0.378 13.697 1.00 0.00 C
170
+ ATOM 169 C LEU A 23 -2.735 1.754 13.177 1.00 0.00 C
171
+ ATOM 170 CB LEU A 23 -1.979 -0.244 14.481 1.00 0.00 C
172
+ ATOM 171 O LEU A 23 -2.016 1.861 12.181 1.00 0.00 O
173
+ ATOM 172 CG LEU A 23 -2.229 -1.630 15.076 1.00 0.00 C
174
+ ATOM 173 CD1 LEU A 23 -0.987 -2.126 15.808 1.00 0.00 C
175
+ ATOM 174 CD2 LEU A 23 -3.432 -1.600 16.014 1.00 0.00 C
176
+ ATOM 175 N GLY A 24 -3.191 2.749 13.848 1.00 0.00 N
177
+ ATOM 176 CA GLY A 24 -2.833 4.110 13.482 1.00 0.00 C
178
+ ATOM 177 C GLY A 24 -3.299 5.141 14.491 1.00 0.00 C
179
+ ATOM 178 O GLY A 24 -3.759 4.789 15.580 1.00 0.00 O
180
+ ATOM 179 N THR A 25 -3.132 6.434 14.114 1.00 0.00 N
181
+ ATOM 180 CA THR A 25 -3.630 7.589 14.854 1.00 0.00 C
182
+ ATOM 181 C THR A 25 -4.477 8.484 13.952 1.00 0.00 C
183
+ ATOM 182 CB THR A 25 -2.474 8.409 15.454 1.00 0.00 C
184
+ ATOM 183 O THR A 25 -4.104 8.752 12.809 1.00 0.00 O
185
+ ATOM 184 CG2 THR A 25 -3.000 9.558 16.308 1.00 0.00 C
186
+ ATOM 185 OG1 THR A 25 -1.663 7.554 16.270 1.00 0.00 O
187
+ ATOM 186 N VAL A 26 -5.627 8.854 14.503 1.00 0.00 N
188
+ ATOM 187 CA VAL A 26 -6.437 9.830 13.783 1.00 0.00 C
189
+ ATOM 188 C VAL A 26 -5.743 11.191 13.802 1.00 0.00 C
190
+ ATOM 189 CB VAL A 26 -7.855 9.946 14.385 1.00 0.00 C
191
+ ATOM 190 O VAL A 26 -5.363 11.686 14.866 1.00 0.00 O
192
+ ATOM 191 CG1 VAL A 26 -8.688 10.968 13.612 1.00 0.00 C
193
+ ATOM 192 CG2 VAL A 26 -8.545 8.583 14.390 1.00 0.00 C
194
+ ATOM 193 N LYS A 27 -5.511 11.813 12.590 1.00 0.00 N
195
+ ATOM 194 CA LYS A 27 -4.875 13.126 12.556 1.00 0.00 C
196
+ ATOM 195 C LYS A 27 -5.742 14.176 13.244 1.00 0.00 C
197
+ ATOM 196 CB LYS A 27 -4.590 13.547 11.113 1.00 0.00 C
198
+ ATOM 197 O LYS A 27 -6.970 14.071 13.245 1.00 0.00 O
199
+ ATOM 198 CG LYS A 27 -3.468 12.762 10.449 1.00 0.00 C
200
+ ATOM 199 CD LYS A 27 -3.242 13.216 9.013 1.00 0.00 C
201
+ ATOM 200 CE LYS A 27 -2.114 12.438 8.351 1.00 0.00 C
202
+ ATOM 201 NZ LYS A 27 -1.961 12.801 6.909 1.00 0.00 N
203
+ ATOM 202 N PRO A 28 -5.022 15.219 13.766 1.00 0.00 N
204
+ ATOM 203 CA PRO A 28 -5.819 16.350 14.249 1.00 0.00 C
205
+ ATOM 204 C PRO A 28 -6.710 16.950 13.164 1.00 0.00 C
206
+ ATOM 205 CB PRO A 28 -4.760 17.358 14.705 1.00 0.00 C
207
+ ATOM 206 O PRO A 28 -6.300 17.044 12.005 1.00 0.00 O
208
+ ATOM 207 CG PRO A 28 -3.528 16.542 14.926 1.00 0.00 C
209
+ ATOM 208 CD PRO A 28 -3.520 15.411 13.938 1.00 0.00 C
210
+ ATOM 209 N ASN A 29 -7.912 17.267 13.308 1.00 0.00 N
211
+ ATOM 210 CA ASN A 29 -8.894 17.870 12.414 1.00 0.00 C
212
+ ATOM 211 C ASN A 29 -9.285 16.919 11.286 1.00 0.00 C
213
+ ATOM 212 CB ASN A 29 -8.363 19.184 11.839 1.00 0.00 C
214
+ ATOM 213 O ASN A 29 -9.475 17.346 10.146 1.00 0.00 O
215
+ ATOM 214 CG ASN A 29 -8.017 20.194 12.916 1.00 0.00 C
216
+ ATOM 215 ND2 ASN A 29 -6.950 20.954 12.696 1.00 0.00 N
217
+ ATOM 216 OD1 ASN A 29 -8.704 20.291 13.937 1.00 0.00 O
218
+ ATOM 217 N ALA A 30 -9.137 15.649 11.519 1.00 0.00 N
219
+ ATOM 218 CA ALA A 30 -9.523 14.634 10.542 1.00 0.00 C
220
+ ATOM 219 C ALA A 30 -10.931 14.890 10.013 1.00 0.00 C
221
+ ATOM 220 CB ALA A 30 -9.435 13.240 11.158 1.00 0.00 C
222
+ ATOM 221 O ALA A 30 -11.823 15.285 10.768 1.00 0.00 O
223
+ ATOM 222 N ASN A 31 -11.119 14.623 8.742 1.00 0.00 N
224
+ ATOM 223 CA ASN A 31 -12.443 14.684 8.133 1.00 0.00 C
225
+ ATOM 224 C ASN A 31 -12.967 13.292 7.790 1.00 0.00 C
226
+ ATOM 225 CB ASN A 31 -12.420 15.566 6.883 1.00 0.00 C
227
+ ATOM 226 O ASN A 31 -14.156 13.014 7.957 1.00 0.00 O
228
+ ATOM 227 CG ASN A 31 -13.804 16.009 6.454 1.00 0.00 C
229
+ ATOM 228 ND2 ASN A 31 -13.927 16.452 5.208 1.00 0.00 N
230
+ ATOM 229 OD1 ASN A 31 -14.757 15.952 7.236 1.00 0.00 O
231
+ ATOM 230 N ARG A 32 -12.114 12.447 7.283 1.00 0.00 N
232
+ ATOM 231 CA ARG A 32 -12.591 11.125 6.892 1.00 0.00 C
233
+ ATOM 232 C ARG A 32 -11.451 10.114 6.875 1.00 0.00 C
234
+ ATOM 233 CB ARG A 32 -13.262 11.181 5.517 1.00 0.00 C
235
+ ATOM 234 O ARG A 32 -10.300 10.473 6.619 1.00 0.00 O
236
+ ATOM 235 CG ARG A 32 -12.300 11.461 4.374 1.00 0.00 C
237
+ ATOM 236 CD ARG A 32 -13.018 11.507 3.031 1.00 0.00 C
238
+ ATOM 237 NE ARG A 32 -12.090 11.758 1.932 1.00 0.00 N
239
+ ATOM 238 NH1 ARG A 32 -13.718 11.802 0.295 1.00 0.00 N
240
+ ATOM 239 NH2 ARG A 32 -11.517 12.118 -0.262 1.00 0.00 N
241
+ ATOM 240 CZ ARG A 32 -12.444 11.893 0.657 1.00 0.00 C
242
+ ATOM 241 N ILE A 33 -11.730 8.857 7.085 1.00 0.00 N
243
+ ATOM 242 CA ILE A 33 -10.926 7.660 6.869 1.00 0.00 C
244
+ ATOM 243 C ILE A 33 -11.660 6.708 5.927 1.00 0.00 C
245
+ ATOM 244 CB ILE A 33 -10.600 6.950 8.202 1.00 0.00 C
246
+ ATOM 245 O ILE A 33 -12.891 6.646 5.932 1.00 0.00 O
247
+ ATOM 246 CG1 ILE A 33 -9.908 7.918 9.168 1.00 0.00 C
248
+ ATOM 247 CG2 ILE A 33 -9.735 5.711 7.956 1.00 0.00 C
249
+ ATOM 248 CD1 ILE A 33 -9.848 7.422 10.606 1.00 0.00 C
250
+ ATOM 249 N ALA A 34 -10.886 5.946 5.137 1.00 0.00 N
251
+ ATOM 250 CA ALA A 34 -11.539 4.948 4.293 1.00 0.00 C
252
+ ATOM 251 C ALA A 34 -10.721 3.660 4.234 1.00 0.00 C
253
+ ATOM 252 CB ALA A 34 -11.758 5.501 2.887 1.00 0.00 C
254
+ ATOM 253 O ALA A 34 -9.499 3.701 4.071 1.00 0.00 O
255
+ ATOM 254 N LEU A 35 -11.359 2.562 4.404 1.00 0.00 N
256
+ ATOM 255 CA LEU A 35 -10.898 1.213 4.097 1.00 0.00 C
257
+ ATOM 256 C LEU A 35 -11.692 0.617 2.940 1.00 0.00 C
258
+ ATOM 257 CB LEU A 35 -11.017 0.312 5.330 1.00 0.00 C
259
+ ATOM 258 O LEU A 35 -12.904 0.416 3.050 1.00 0.00 O
260
+ ATOM 259 CG LEU A 35 -10.256 0.765 6.577 1.00 0.00 C
261
+ ATOM 260 CD1 LEU A 35 -10.524 -0.188 7.737 1.00 0.00 C
262
+ ATOM 261 CD2 LEU A 35 -8.762 0.857 6.288 1.00 0.00 C
263
+ ATOM 262 N ASP A 36 -11.028 0.349 1.836 1.00 0.00 N
264
+ ATOM 263 CA ASP A 36 -11.638 -0.236 0.645 1.00 0.00 C
265
+ ATOM 264 C ASP A 36 -11.115 -1.649 0.398 1.00 0.00 C
266
+ ATOM 265 CB ASP A 36 -11.375 0.643 -0.580 1.00 0.00 C
267
+ ATOM 266 O ASP A 36 -9.958 -1.830 0.014 1.00 0.00 O
268
+ ATOM 267 CG ASP A 36 -12.188 1.926 -0.574 1.00 0.00 C
269
+ ATOM 268 OD1 ASP A 36 -13.305 1.939 -0.011 1.00 0.00 O
270
+ ATOM 269 OD2 ASP A 36 -11.709 2.933 -1.137 1.00 0.00 O
271
+ ATOM 270 N PHE A 37 -11.944 -2.670 0.612 1.00 0.00 N
272
+ ATOM 271 CA PHE A 37 -11.680 -4.033 0.169 1.00 0.00 C
273
+ ATOM 272 C PHE A 37 -11.996 -4.192 -1.314 1.00 0.00 C
274
+ ATOM 273 CB PHE A 37 -12.498 -5.035 0.990 1.00 0.00 C
275
+ ATOM 274 O PHE A 37 -13.164 -4.195 -1.708 1.00 0.00 O
276
+ ATOM 275 CG PHE A 37 -12.023 -5.188 2.409 1.00 0.00 C
277
+ ATOM 276 CD1 PHE A 37 -11.318 -6.319 2.803 1.00 0.00 C
278
+ ATOM 277 CD2 PHE A 37 -12.282 -4.201 3.351 1.00 0.00 C
279
+ ATOM 278 CE1 PHE A 37 -10.877 -6.463 4.116 1.00 0.00 C
280
+ ATOM 279 CE2 PHE A 37 -11.844 -4.338 4.665 1.00 0.00 C
281
+ ATOM 280 CZ PHE A 37 -11.142 -5.471 5.045 1.00 0.00 C
282
+ ATOM 281 N GLN A 38 -10.949 -4.362 -2.113 1.00 0.00 N
283
+ ATOM 282 CA GLN A 38 -11.060 -4.138 -3.551 1.00 0.00 C
284
+ ATOM 283 C GLN A 38 -11.006 -5.455 -4.319 1.00 0.00 C
285
+ ATOM 284 CB GLN A 38 -9.952 -3.202 -4.036 1.00 0.00 C
286
+ ATOM 285 O GLN A 38 -10.175 -6.317 -4.026 1.00 0.00 O
287
+ ATOM 286 CG GLN A 38 -10.042 -1.793 -3.464 1.00 0.00 C
288
+ ATOM 287 CD GLN A 38 -8.915 -0.894 -3.936 1.00 0.00 C
289
+ ATOM 288 NE2 GLN A 38 -9.201 0.398 -4.062 1.00 0.00 N
290
+ ATOM 289 OE1 GLN A 38 -7.798 -1.357 -4.185 1.00 0.00 O
291
+ ATOM 290 N ARG A 39 -11.892 -5.620 -5.308 1.00 0.00 N
292
+ ATOM 291 CA ARG A 39 -11.959 -6.623 -6.365 1.00 0.00 C
293
+ ATOM 292 C ARG A 39 -11.834 -5.979 -7.742 1.00 0.00 C
294
+ ATOM 293 CB ARG A 39 -13.266 -7.415 -6.274 1.00 0.00 C
295
+ ATOM 294 O ARG A 39 -12.829 -5.535 -8.318 1.00 0.00 O
296
+ ATOM 295 CG ARG A 39 -13.472 -8.397 -7.417 1.00 0.00 C
297
+ ATOM 296 CD ARG A 39 -14.877 -8.984 -7.408 1.00 0.00 C
298
+ ATOM 297 NE ARG A 39 -15.148 -9.749 -8.622 1.00 0.00 N
299
+ ATOM 298 NH1 ARG A 39 -17.435 -9.831 -8.307 1.00 0.00 N
300
+ ATOM 299 NH2 ARG A 39 -16.490 -10.828 -10.142 1.00 0.00 N
301
+ ATOM 300 CZ ARG A 39 -16.357 -10.134 -9.021 1.00 0.00 C
302
+ ATOM 301 N GLY A 40 -10.606 -5.982 -8.278 1.00 0.00 N
303
+ ATOM 302 CA GLY A 40 -10.362 -5.163 -9.454 1.00 0.00 C
304
+ ATOM 303 C GLY A 40 -10.664 -3.692 -9.231 1.00 0.00 C
305
+ ATOM 304 O GLY A 40 -10.065 -3.056 -8.360 1.00 0.00 O
306
+ ATOM 305 N ASN A 41 -11.642 -3.185 -10.021 1.00 0.00 N
307
+ ATOM 306 CA ASN A 41 -12.048 -1.789 -9.901 1.00 0.00 C
308
+ ATOM 307 C ASN A 41 -13.224 -1.628 -8.942 1.00 0.00 C
309
+ ATOM 308 CB ASN A 41 -12.400 -1.212 -11.274 1.00 0.00 C
310
+ ATOM 309 O ASN A 41 -13.610 -0.505 -8.610 1.00 0.00 O
311
+ ATOM 310 CG ASN A 41 -11.190 -1.080 -12.179 1.00 0.00 C
312
+ ATOM 311 ND2 ASN A 41 -11.424 -1.094 -13.486 1.00 0.00 N
313
+ ATOM 312 OD1 ASN A 41 -10.056 -0.967 -11.707 1.00 0.00 O
314
+ ATOM 313 N ASP A 42 -13.758 -2.704 -8.537 1.00 0.00 N
315
+ ATOM 314 CA ASP A 42 -14.893 -2.716 -7.620 1.00 0.00 C
316
+ ATOM 315 C ASP A 42 -14.428 -2.650 -6.167 1.00 0.00 C
317
+ ATOM 316 CB ASP A 42 -15.749 -3.964 -7.842 1.00 0.00 C
318
+ ATOM 317 O ASP A 42 -13.268 -2.939 -5.868 1.00 0.00 O
319
+ ATOM 318 CG ASP A 42 -16.523 -3.928 -9.148 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 42 -16.692 -2.834 -9.728 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 42 -16.970 -5.005 -9.602 1.00 0.00 O
322
+ ATOM 321 N VAL A 43 -15.316 -2.202 -5.300 1.00 0.00 N
323
+ ATOM 322 CA VAL A 43 -15.135 -2.203 -3.852 1.00 0.00 C
324
+ ATOM 323 C VAL A 43 -16.158 -3.132 -3.204 1.00 0.00 C
325
+ ATOM 324 CB VAL A 43 -15.260 -0.779 -3.264 1.00 0.00 C
326
+ ATOM 325 O VAL A 43 -17.350 -2.824 -3.168 1.00 0.00 O
327
+ ATOM 326 CG1 VAL A 43 -15.059 -0.801 -1.750 1.00 0.00 C
328
+ ATOM 327 CG2 VAL A 43 -14.254 0.161 -3.926 1.00 0.00 C
329
+ ATOM 328 N ALA A 44 -15.692 -4.253 -2.637 1.00 0.00 N
330
+ ATOM 329 CA ALA A 44 -16.557 -5.259 -2.026 1.00 0.00 C
331
+ ATOM 330 C ALA A 44 -17.095 -4.777 -0.682 1.00 0.00 C
332
+ ATOM 331 CB ALA A 44 -15.802 -6.575 -1.853 1.00 0.00 C
333
+ ATOM 332 O ALA A 44 -18.238 -5.070 -0.323 1.00 0.00 O
334
+ ATOM 333 N PHE A 45 -16.320 -4.031 0.017 1.00 0.00 N
335
+ ATOM 334 CA PHE A 45 -16.670 -3.434 1.300 1.00 0.00 C
336
+ ATOM 335 C PHE A 45 -15.932 -2.116 1.504 1.00 0.00 C
337
+ ATOM 336 CB PHE A 45 -16.352 -4.397 2.448 1.00 0.00 C
338
+ ATOM 337 O PHE A 45 -14.701 -2.091 1.559 1.00 0.00 O
339
+ ATOM 338 CG PHE A 45 -16.553 -3.800 3.814 1.00 0.00 C
340
+ ATOM 339 CD1 PHE A 45 -15.692 -4.112 4.859 1.00 0.00 C
341
+ ATOM 340 CD2 PHE A 45 -17.606 -2.927 4.055 1.00 0.00 C
342
+ ATOM 341 CE1 PHE A 45 -15.877 -3.562 6.125 1.00 0.00 C
343
+ ATOM 342 CE2 PHE A 45 -17.797 -2.373 5.318 1.00 0.00 C
344
+ ATOM 343 CZ PHE A 45 -16.932 -2.693 6.351 1.00 0.00 C
345
+ ATOM 344 N HIS A 46 -16.684 -1.037 1.572 1.00 0.00 N
346
+ ATOM 345 CA HIS A 46 -16.255 0.315 1.914 1.00 0.00 C
347
+ ATOM 346 C HIS A 46 -16.602 0.653 3.360 1.00 0.00 C
348
+ ATOM 347 CB HIS A 46 -16.892 1.335 0.969 1.00 0.00 C
349
+ ATOM 348 O HIS A 46 -17.778 0.671 3.733 1.00 0.00 O
350
+ ATOM 349 CG HIS A 46 -16.474 2.745 1.238 1.00 0.00 C
351
+ ATOM 350 CD2 HIS A 46 -17.160 3.794 1.751 1.00 0.00 C
352
+ ATOM 351 ND1 HIS A 46 -15.205 3.209 0.968 1.00 0.00 N
353
+ ATOM 352 CE1 HIS A 46 -15.129 4.486 1.305 1.00 0.00 C
354
+ ATOM 353 NE2 HIS A 46 -16.302 4.864 1.783 1.00 0.00 N
355
+ ATOM 354 N PHE A 47 -15.633 0.845 4.184 1.00 0.00 N
356
+ ATOM 355 CA PHE A 47 -15.772 1.302 5.561 1.00 0.00 C
357
+ ATOM 356 C PHE A 47 -15.234 2.719 5.719 1.00 0.00 C
358
+ ATOM 357 CB PHE A 47 -15.044 0.355 6.519 1.00 0.00 C
359
+ ATOM 358 O PHE A 47 -14.032 2.952 5.573 1.00 0.00 O
360
+ ATOM 359 CG PHE A 47 -15.113 0.778 7.961 1.00 0.00 C
361
+ ATOM 360 CD1 PHE A 47 -14.033 1.407 8.569 1.00 0.00 C
362
+ ATOM 361 CD2 PHE A 47 -16.260 0.546 8.711 1.00 0.00 C
363
+ ATOM 362 CE1 PHE A 47 -14.095 1.801 9.904 1.00 0.00 C
364
+ ATOM 363 CE2 PHE A 47 -16.328 0.934 10.045 1.00 0.00 C
365
+ ATOM 364 CZ PHE A 47 -15.245 1.561 10.640 1.00 0.00 C
366
+ ATOM 365 N ASN A 48 -16.133 3.645 6.050 1.00 0.00 N
367
+ ATOM 366 CA ASN A 48 -15.801 5.056 5.881 1.00 0.00 C
368
+ ATOM 367 C ASN A 48 -16.301 5.894 7.053 1.00 0.00 C
369
+ ATOM 368 CB ASN A 48 -16.373 5.587 4.565 1.00 0.00 C
370
+ ATOM 369 O ASN A 48 -17.358 6.522 6.967 1.00 0.00 O
371
+ ATOM 370 CG ASN A 48 -15.955 7.017 4.282 1.00 0.00 C
372
+ ATOM 371 ND2 ASN A 48 -14.734 7.364 4.668 1.00 0.00 N
373
+ ATOM 372 OD1 ASN A 48 -16.723 7.801 3.721 1.00 0.00 O
374
+ ATOM 373 N PRO A 49 -15.558 5.957 8.188 1.00 0.00 N
375
+ ATOM 374 CA PRO A 49 -15.796 6.946 9.242 1.00 0.00 C
376
+ ATOM 375 C PRO A 49 -15.648 8.382 8.747 1.00 0.00 C
377
+ ATOM 376 CB PRO A 49 -14.724 6.616 10.285 1.00 0.00 C
378
+ ATOM 377 O PRO A 49 -14.633 8.729 8.138 1.00 0.00 O
379
+ ATOM 378 CG PRO A 49 -14.356 5.193 10.016 1.00 0.00 C
380
+ ATOM 379 CD PRO A 49 -14.443 4.948 8.536 1.00 0.00 C
381
+ ATOM 380 N ARG A 50 -16.635 9.217 8.946 1.00 0.00 N
382
+ ATOM 381 CA ARG A 50 -16.685 10.640 8.626 1.00 0.00 C
383
+ ATOM 382 C ARG A 50 -16.801 11.482 9.891 1.00 0.00 C
384
+ ATOM 383 CB ARG A 50 -17.856 10.940 7.687 1.00 0.00 C
385
+ ATOM 384 O ARG A 50 -17.773 11.359 10.638 1.00 0.00 O
386
+ ATOM 385 CG ARG A 50 -17.828 10.142 6.393 1.00 0.00 C
387
+ ATOM 386 CD ARG A 50 -19.058 10.413 5.537 1.00 0.00 C
388
+ ATOM 387 NE ARG A 50 -19.035 9.638 4.299 1.00 0.00 N
389
+ ATOM 388 NH1 ARG A 50 -21.133 10.305 3.600 1.00 0.00 N
390
+ ATOM 389 NH2 ARG A 50 -19.895 8.865 2.315 1.00 0.00 N
391
+ ATOM 390 CZ ARG A 50 -20.020 9.605 3.408 1.00 0.00 C
392
+ ATOM 391 N PHE A 51 -15.909 12.304 10.083 1.00 0.00 N
393
+ ATOM 392 CA PHE A 51 -15.801 13.065 11.322 1.00 0.00 C
394
+ ATOM 393 C PHE A 51 -16.695 14.298 11.279 1.00 0.00 C
395
+ ATOM 394 CB PHE A 51 -14.348 13.478 11.575 1.00 0.00 C
396
+ ATOM 395 O PHE A 51 -17.035 14.863 12.321 1.00 0.00 O
397
+ ATOM 396 CG PHE A 51 -13.450 12.334 11.962 1.00 0.00 C
398
+ ATOM 397 CD1 PHE A 51 -13.109 12.118 13.291 1.00 0.00 C
399
+ ATOM 398 CD2 PHE A 51 -12.947 11.474 10.995 1.00 0.00 C
400
+ ATOM 399 CE1 PHE A 51 -12.278 11.060 13.652 1.00 0.00 C
401
+ ATOM 400 CE2 PHE A 51 -12.116 10.414 11.347 1.00 0.00 C
402
+ ATOM 401 CZ PHE A 51 -11.782 10.210 12.677 1.00 0.00 C
403
+ ATOM 402 N ASN A 52 -16.965 14.690 10.061 1.00 0.00 N
404
+ ATOM 403 CA ASN A 52 -17.884 15.803 9.845 1.00 0.00 C
405
+ ATOM 404 C ASN A 52 -18.675 15.634 8.550 1.00 0.00 C
406
+ ATOM 405 CB ASN A 52 -17.124 17.131 9.832 1.00 0.00 C
407
+ ATOM 406 O ASN A 52 -18.179 15.951 7.468 1.00 0.00 O
408
+ ATOM 407 CG ASN A 52 -18.048 18.333 9.801 1.00 0.00 C
409
+ ATOM 408 ND2 ASN A 52 -17.478 19.515 9.600 1.00 0.00 N
410
+ ATOM 409 OD1 ASN A 52 -19.265 18.200 9.958 1.00 0.00 O
411
+ ATOM 410 N GLU A 53 -19.846 15.052 8.604 1.00 0.00 N
412
+ ATOM 411 CA GLU A 53 -20.867 15.042 7.561 1.00 0.00 C
413
+ ATOM 412 C GLU A 53 -22.106 15.822 7.994 1.00 0.00 C
414
+ ATOM 413 CB GLU A 53 -21.251 13.605 7.198 1.00 0.00 C
415
+ ATOM 414 O GLU A 53 -22.928 15.316 8.760 1.00 0.00 O
416
+ ATOM 415 CG GLU A 53 -22.209 13.505 6.020 1.00 0.00 C
417
+ ATOM 416 CD GLU A 53 -22.562 12.071 5.655 1.00 0.00 C
418
+ ATOM 417 OE1 GLU A 53 -23.510 11.509 6.249 1.00 0.00 O
419
+ ATOM 418 OE2 GLU A 53 -21.883 11.505 4.769 1.00 0.00 O
420
+ ATOM 419 N ASN A 54 -22.220 17.025 7.522 1.00 0.00 N
421
+ ATOM 420 CA ASN A 54 -23.284 17.931 7.941 1.00 0.00 C
422
+ ATOM 421 C ASN A 54 -23.315 18.098 9.457 1.00 0.00 C
423
+ ATOM 422 CB ASN A 54 -24.640 17.437 7.433 1.00 0.00 C
424
+ ATOM 423 O ASN A 54 -24.360 17.917 10.085 1.00 0.00 O
425
+ ATOM 424 CG ASN A 54 -24.680 17.287 5.925 1.00 0.00 C
426
+ ATOM 425 ND2 ASN A 54 -25.445 16.313 5.447 1.00 0.00 N
427
+ ATOM 426 OD1 ASN A 54 -24.028 18.039 5.196 1.00 0.00 O
428
+ ATOM 427 N ASN A 55 -22.179 18.286 10.077 1.00 0.00 N
429
+ ATOM 428 CA ASN A 55 -21.936 18.511 11.498 1.00 0.00 C
430
+ ATOM 429 C ASN A 55 -22.219 17.256 12.319 1.00 0.00 C
431
+ ATOM 430 CB ASN A 55 -22.781 19.681 12.009 1.00 0.00 C
432
+ ATOM 431 O ASN A 55 -22.521 17.344 13.511 1.00 0.00 O
433
+ ATOM 432 CG ASN A 55 -22.387 21.002 11.380 1.00 0.00 C
434
+ ATOM 433 ND2 ASN A 55 -23.341 21.921 11.283 1.00 0.00 N
435
+ ATOM 434 OD1 ASN A 55 -21.234 21.197 10.984 1.00 0.00 O
436
+ ATOM 435 N ARG A 56 -22.206 16.093 11.735 1.00 0.00 N
437
+ ATOM 436 CA ARG A 56 -22.412 14.816 12.411 1.00 0.00 C
438
+ ATOM 437 C ARG A 56 -21.251 13.863 12.145 1.00 0.00 C
439
+ ATOM 438 CB ARG A 56 -23.728 14.175 11.963 1.00 0.00 C
440
+ ATOM 439 O ARG A 56 -20.677 13.865 11.054 1.00 0.00 O
441
+ ATOM 440 CG ARG A 56 -24.964 14.971 12.352 1.00 0.00 C
442
+ ATOM 441 CD ARG A 56 -26.242 14.304 11.862 1.00 0.00 C
443
+ ATOM 442 NE ARG A 56 -27.413 14.785 12.589 1.00 0.00 N
444
+ ATOM 443 NH1 ARG A 56 -28.934 13.548 11.368 1.00 0.00 N
445
+ ATOM 444 NH2 ARG A 56 -29.656 14.914 13.061 1.00 0.00 N
446
+ ATOM 445 CZ ARG A 56 -28.665 14.414 12.338 1.00 0.00 C
447
+ ATOM 446 N ARG A 57 -20.941 13.100 13.127 1.00 0.00 N
448
+ ATOM 447 CA ARG A 57 -20.039 11.961 12.980 1.00 0.00 C
449
+ ATOM 448 C ARG A 57 -20.811 10.696 12.619 1.00 0.00 C
450
+ ATOM 449 CB ARG A 57 -19.239 11.739 14.264 1.00 0.00 C
451
+ ATOM 450 O ARG A 57 -21.798 10.357 13.275 1.00 0.00 O
452
+ ATOM 451 CG ARG A 57 -18.352 12.913 14.648 1.00 0.00 C
453
+ ATOM 452 CD ARG A 57 -17.643 12.674 15.973 1.00 0.00 C
454
+ ATOM 453 NE ARG A 57 -16.931 13.866 16.426 1.00 0.00 N
455
+ ATOM 454 NH1 ARG A 57 -16.106 12.894 18.354 1.00 0.00 N
456
+ ATOM 455 NH2 ARG A 57 -15.610 15.077 17.862 1.00 0.00 N
457
+ ATOM 456 CZ ARG A 57 -16.217 13.942 17.546 1.00 0.00 C
458
+ ATOM 457 N VAL A 58 -20.395 10.054 11.579 1.00 0.00 N
459
+ ATOM 458 CA VAL A 58 -21.125 8.885 11.099 1.00 0.00 C
460
+ ATOM 459 C VAL A 58 -20.157 7.908 10.433 1.00 0.00 C
461
+ ATOM 460 CB VAL A 58 -22.244 9.281 10.111 1.00 0.00 C
462
+ ATOM 461 O VAL A 58 -19.122 8.316 9.901 1.00 0.00 O
463
+ ATOM 462 CG1 VAL A 58 -21.678 10.097 8.950 1.00 0.00 C
464
+ ATOM 463 CG2 VAL A 58 -22.963 8.036 9.592 1.00 0.00 C
465
+ ATOM 464 N ILE A 59 -20.428 6.653 10.525 1.00 0.00 N
466
+ ATOM 465 CA ILE A 59 -19.734 5.647 9.728 1.00 0.00 C
467
+ ATOM 466 C ILE A 59 -20.632 5.190 8.579 1.00 0.00 C
468
+ ATOM 467 CB ILE A 59 -19.309 4.437 10.589 1.00 0.00 C
469
+ ATOM 468 O ILE A 59 -21.778 4.795 8.799 1.00 0.00 O
470
+ ATOM 469 CG1 ILE A 59 -18.397 4.891 11.735 1.00 0.00 C
471
+ ATOM 470 CG2 ILE A 59 -18.619 3.376 9.727 1.00 0.00 C
472
+ ATOM 471 CD1 ILE A 59 -17.968 3.768 12.668 1.00 0.00 C
473
+ ATOM 472 N VAL A 60 -20.137 5.306 7.395 1.00 0.00 N
474
+ ATOM 473 CA VAL A 60 -20.849 4.875 6.196 1.00 0.00 C
475
+ ATOM 474 C VAL A 60 -20.195 3.615 5.632 1.00 0.00 C
476
+ ATOM 475 CB VAL A 60 -20.876 5.986 5.124 1.00 0.00 C
477
+ ATOM 476 O VAL A 60 -18.990 3.598 5.369 1.00 0.00 O
478
+ ATOM 477 CG1 VAL A 60 -21.547 5.486 3.845 1.00 0.00 C
479
+ ATOM 478 CG2 VAL A 60 -21.593 7.225 5.658 1.00 0.00 C
480
+ ATOM 479 N CYS A 61 -20.995 2.526 5.432 1.00 0.00 N
481
+ ATOM 480 CA CYS A 61 -20.581 1.305 4.750 1.00 0.00 C
482
+ ATOM 481 C CYS A 61 -21.317 1.144 3.425 1.00 0.00 C
483
+ ATOM 482 CB CYS A 61 -20.834 0.085 5.636 1.00 0.00 C
484
+ ATOM 483 O CYS A 61 -22.497 1.483 3.320 1.00 0.00 O
485
+ ATOM 484 SG CYS A 61 -19.953 0.134 7.211 1.00 0.00 S
486
+ ATOM 485 N ASN A 62 -20.629 0.679 2.428 1.00 0.00 N
487
+ ATOM 486 CA ASN A 62 -21.255 0.475 1.126 1.00 0.00 C
488
+ ATOM 487 C ASN A 62 -20.457 -0.501 0.266 1.00 0.00 C
489
+ ATOM 488 CB ASN A 62 -21.425 1.810 0.397 1.00 0.00 C
490
+ ATOM 489 O ASN A 62 -19.392 -0.966 0.675 1.00 0.00 O
491
+ ATOM 490 CG ASN A 62 -22.598 1.805 -0.563 1.00 0.00 C
492
+ ATOM 491 ND2 ASN A 62 -23.011 2.989 -1.002 1.00 0.00 N
493
+ ATOM 492 OD1 ASN A 62 -23.130 0.746 -0.907 1.00 0.00 O
494
+ ATOM 493 N THR A 63 -21.005 -0.890 -0.810 1.00 0.00 N
495
+ ATOM 494 CA THR A 63 -20.377 -1.672 -1.871 1.00 0.00 C
496
+ ATOM 495 C THR A 63 -20.474 -0.944 -3.208 1.00 0.00 C
497
+ ATOM 496 CB THR A 63 -21.021 -3.065 -1.993 1.00 0.00 C
498
+ ATOM 497 O THR A 63 -21.518 -0.378 -3.539 1.00 0.00 O
499
+ ATOM 498 CG2 THR A 63 -20.425 -3.845 -3.161 1.00 0.00 C
500
+ ATOM 499 OG1 THR A 63 -20.799 -3.796 -0.782 1.00 0.00 O
501
+ ATOM 500 N LYS A 64 -19.362 -0.893 -3.952 1.00 0.00 N
502
+ ATOM 501 CA LYS A 64 -19.338 -0.366 -5.313 1.00 0.00 C
503
+ ATOM 502 C LYS A 64 -19.188 -1.491 -6.334 1.00 0.00 C
504
+ ATOM 503 CB LYS A 64 -18.204 0.647 -5.478 1.00 0.00 C
505
+ ATOM 504 O LYS A 64 -18.186 -2.209 -6.331 1.00 0.00 O
506
+ ATOM 505 CG LYS A 64 -18.217 1.380 -6.811 1.00 0.00 C
507
+ ATOM 506 CD LYS A 64 -16.984 2.258 -6.978 1.00 0.00 C
508
+ ATOM 507 CE LYS A 64 -17.008 3.010 -8.302 1.00 0.00 C
509
+ ATOM 508 NZ LYS A 64 -15.739 3.763 -8.534 1.00 0.00 N
510
+ ATOM 509 N LEU A 65 -20.171 -1.637 -7.214 1.00 0.00 N
511
+ ATOM 510 CA LEU A 65 -20.157 -2.603 -8.306 1.00 0.00 C
512
+ ATOM 511 C LEU A 65 -20.413 -1.914 -9.643 1.00 0.00 C
513
+ ATOM 512 CB LEU A 65 -21.205 -3.694 -8.073 1.00 0.00 C
514
+ ATOM 513 O LEU A 65 -21.303 -1.067 -9.750 1.00 0.00 O
515
+ ATOM 514 CG LEU A 65 -21.001 -4.577 -6.841 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 65 -22.192 -5.512 -6.656 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 65 -19.705 -5.372 -6.961 1.00 0.00 C
518
+ ATOM 517 N ASP A 66 -19.594 -2.225 -10.628 1.00 0.00 N
519
+ ATOM 518 CA ASP A 66 -19.710 -1.690 -11.980 1.00 0.00 C
520
+ ATOM 519 C ASP A 66 -19.767 -0.164 -11.965 1.00 0.00 C
521
+ ATOM 520 CB ASP A 66 -20.950 -2.256 -12.677 1.00 0.00 C
522
+ ATOM 521 O ASP A 66 -20.659 0.435 -12.569 1.00 0.00 O
523
+ ATOM 522 CG ASP A 66 -20.860 -3.751 -12.926 1.00 0.00 C
524
+ ATOM 523 OD1 ASP A 66 -19.758 -4.252 -13.234 1.00 0.00 O
525
+ ATOM 524 OD2 ASP A 66 -21.902 -4.432 -12.817 1.00 0.00 O
526
+ ATOM 525 N ASN A 67 -18.959 0.354 -11.130 1.00 0.00 N
527
+ ATOM 526 CA ASN A 67 -18.744 1.784 -10.938 1.00 0.00 C
528
+ ATOM 527 C ASN A 67 -19.937 2.445 -10.253 1.00 0.00 C
529
+ ATOM 528 CB ASN A 67 -18.455 2.469 -12.276 1.00 0.00 C
530
+ ATOM 529 O ASN A 67 -19.960 3.663 -10.074 1.00 0.00 O
531
+ ATOM 530 CG ASN A 67 -17.032 2.247 -12.749 1.00 0.00 C
532
+ ATOM 531 ND2 ASN A 67 -16.851 2.162 -14.062 1.00 0.00 N
533
+ ATOM 532 OD1 ASN A 67 -16.104 2.153 -11.942 1.00 0.00 O
534
+ ATOM 533 N ASN A 68 -20.889 1.659 -9.750 1.00 0.00 N
535
+ ATOM 534 CA ASN A 68 -22.053 2.179 -9.042 1.00 0.00 C
536
+ ATOM 535 C ASN A 68 -22.010 1.824 -7.559 1.00 0.00 C
537
+ ATOM 536 CB ASN A 68 -23.344 1.659 -9.676 1.00 0.00 C
538
+ ATOM 537 O ASN A 68 -21.835 0.657 -7.199 1.00 0.00 O
539
+ ATOM 538 CG ASN A 68 -23.563 2.195 -11.078 1.00 0.00 C
540
+ ATOM 539 ND2 ASN A 68 -23.500 1.311 -12.066 1.00 0.00 N
541
+ ATOM 540 OD1 ASN A 68 -23.787 3.392 -11.269 1.00 0.00 O
542
+ ATOM 541 N TRP A 69 -22.186 2.892 -6.756 1.00 0.00 N
543
+ ATOM 542 CA TRP A 69 -22.368 2.661 -5.326 1.00 0.00 C
544
+ ATOM 543 C TRP A 69 -23.771 2.141 -5.033 1.00 0.00 C
545
+ ATOM 544 CB TRP A 69 -22.111 3.948 -4.537 1.00 0.00 C
546
+ ATOM 545 O TRP A 69 -24.757 2.672 -5.549 1.00 0.00 O
547
+ ATOM 546 CG TRP A 69 -20.669 4.358 -4.492 1.00 0.00 C
548
+ ATOM 547 CD1 TRP A 69 -20.064 5.327 -5.243 1.00 0.00 C
549
+ ATOM 548 CD2 TRP A 69 -19.652 3.805 -3.654 1.00 0.00 C
550
+ ATOM 549 CE2 TRP A 69 -18.450 4.488 -3.948 1.00 0.00 C
551
+ ATOM 550 CE3 TRP A 69 -19.638 2.798 -2.679 1.00 0.00 C
552
+ ATOM 551 NE1 TRP A 69 -18.730 5.411 -4.920 1.00 0.00 N
553
+ ATOM 552 CH2 TRP A 69 -17.261 3.206 -2.355 1.00 0.00 C
554
+ ATOM 553 CZ2 TRP A 69 -17.247 4.195 -3.303 1.00 0.00 C
555
+ ATOM 554 CZ3 TRP A 69 -18.438 2.508 -2.038 1.00 0.00 C
556
+ ATOM 555 N GLY A 70 -23.769 1.065 -4.204 1.00 0.00 N
557
+ ATOM 556 CA GLY A 70 -25.049 0.576 -3.714 1.00 0.00 C
558
+ ATOM 557 C GLY A 70 -25.652 1.459 -2.637 1.00 0.00 C
559
+ ATOM 558 O GLY A 70 -25.262 2.619 -2.488 1.00 0.00 O
560
+ ATOM 559 N ARG A 71 -26.713 0.910 -1.926 1.00 0.00 N
561
+ ATOM 560 CA ARG A 71 -27.330 1.595 -0.795 1.00 0.00 C
562
+ ATOM 561 C ARG A 71 -26.361 1.699 0.378 1.00 0.00 C
563
+ ATOM 562 CB ARG A 71 -28.605 0.870 -0.358 1.00 0.00 C
564
+ ATOM 563 O ARG A 71 -25.756 0.704 0.781 1.00 0.00 O
565
+ ATOM 564 CG ARG A 71 -29.346 1.557 0.778 1.00 0.00 C
566
+ ATOM 565 CD ARG A 71 -30.636 0.829 1.131 1.00 0.00 C
567
+ ATOM 566 NE ARG A 71 -31.287 1.422 2.295 1.00 0.00 N
568
+ ATOM 567 NH1 ARG A 71 -32.960 -0.166 2.426 1.00 0.00 N
569
+ ATOM 568 NH2 ARG A 71 -32.886 1.555 3.940 1.00 0.00 N
570
+ ATOM 569 CZ ARG A 71 -32.376 0.936 2.885 1.00 0.00 C
571
+ ATOM 570 N GLU A 72 -26.274 2.825 0.978 1.00 0.00 N
572
+ ATOM 571 CA GLU A 72 -25.436 3.044 2.153 1.00 0.00 C
573
+ ATOM 572 C GLU A 72 -26.055 2.414 3.397 1.00 0.00 C
574
+ ATOM 573 CB GLU A 72 -25.208 4.541 2.379 1.00 0.00 C
575
+ ATOM 574 O GLU A 72 -27.261 2.533 3.626 1.00 0.00 O
576
+ ATOM 575 CG GLU A 72 -24.356 5.202 1.305 1.00 0.00 C
577
+ ATOM 576 CD GLU A 72 -24.001 6.645 1.626 1.00 0.00 C
578
+ ATOM 577 OE1 GLU A 72 -23.110 7.214 0.954 1.00 0.00 O
579
+ ATOM 578 OE2 GLU A 72 -24.617 7.211 2.555 1.00 0.00 O
580
+ ATOM 579 N GLU A 73 -25.296 1.783 4.193 1.00 0.00 N
581
+ ATOM 580 CA GLU A 73 -25.578 1.464 5.590 1.00 0.00 C
582
+ ATOM 581 C GLU A 73 -24.860 2.428 6.531 1.00 0.00 C
583
+ ATOM 582 CB GLU A 73 -25.173 0.022 5.904 1.00 0.00 C
584
+ ATOM 583 O GLU A 73 -23.677 2.721 6.344 1.00 0.00 O
585
+ ATOM 584 CG GLU A 73 -25.991 -1.023 5.159 1.00 0.00 C
586
+ ATOM 585 CD GLU A 73 -25.545 -2.448 5.443 1.00 0.00 C
587
+ ATOM 586 OE1 GLU A 73 -25.584 -3.292 4.518 1.00 0.00 O
588
+ ATOM 587 OE2 GLU A 73 -25.153 -2.724 6.599 1.00 0.00 O
589
+ ATOM 588 N ARG A 74 -25.475 3.010 7.493 1.00 0.00 N
590
+ ATOM 589 CA ARG A 74 -24.960 4.087 8.332 1.00 0.00 C
591
+ ATOM 590 C ARG A 74 -25.045 3.720 9.809 1.00 0.00 C
592
+ ATOM 591 CB ARG A 74 -25.725 5.386 8.069 1.00 0.00 C
593
+ ATOM 592 O ARG A 74 -26.092 3.276 10.284 1.00 0.00 O
594
+ ATOM 593 CG ARG A 74 -25.553 5.929 6.660 1.00 0.00 C
595
+ ATOM 594 CD ARG A 74 -26.312 7.234 6.461 1.00 0.00 C
596
+ ATOM 595 NE ARG A 74 -25.892 7.922 5.243 1.00 0.00 N
597
+ ATOM 596 NH1 ARG A 74 -25.566 9.968 6.264 1.00 0.00 N
598
+ ATOM 597 NH2 ARG A 74 -25.182 9.728 4.016 1.00 0.00 N
599
+ ATOM 598 CZ ARG A 74 -25.548 9.204 5.177 1.00 0.00 C
600
+ ATOM 599 N GLN A 75 -23.992 3.895 10.426 1.00 0.00 N
601
+ ATOM 600 CA GLN A 75 -23.878 3.664 11.862 1.00 0.00 C
602
+ ATOM 601 C GLN A 75 -23.620 4.969 12.609 1.00 0.00 C
603
+ ATOM 602 CB GLN A 75 -22.762 2.660 12.158 1.00 0.00 C
604
+ ATOM 603 O GLN A 75 -22.738 5.744 12.231 1.00 0.00 O
605
+ ATOM 604 CG GLN A 75 -23.151 1.589 13.167 1.00 0.00 C
606
+ ATOM 605 CD GLN A 75 -24.605 1.172 13.050 1.00 0.00 C
607
+ ATOM 606 NE2 GLN A 75 -25.012 0.205 13.867 1.00 0.00 N
608
+ ATOM 607 OE1 GLN A 75 -25.356 1.714 12.233 1.00 0.00 O
609
+ ATOM 608 N SER A 76 -24.330 5.178 13.785 1.00 0.00 N
610
+ ATOM 609 CA SER A 76 -24.206 6.408 14.559 1.00 0.00 C
611
+ ATOM 610 C SER A 76 -23.159 6.266 15.659 1.00 0.00 C
612
+ ATOM 611 CB SER A 76 -25.553 6.794 15.172 1.00 0.00 C
613
+ ATOM 612 O SER A 76 -22.617 7.264 16.140 1.00 0.00 O
614
+ ATOM 613 OG SER A 76 -26.086 5.721 15.929 1.00 0.00 O
615
+ ATOM 614 N VAL A 77 -22.968 5.027 16.090 1.00 0.00 N
616
+ ATOM 615 CA VAL A 77 -21.869 4.794 17.021 1.00 0.00 C
617
+ ATOM 616 C VAL A 77 -20.538 5.105 16.337 1.00 0.00 C
618
+ ATOM 617 CB VAL A 77 -21.870 3.341 17.547 1.00 0.00 C
619
+ ATOM 618 O VAL A 77 -20.208 4.511 15.309 1.00 0.00 O
620
+ ATOM 619 CG1 VAL A 77 -20.724 3.123 18.534 1.00 0.00 C
621
+ ATOM 620 CG2 VAL A 77 -23.211 3.013 18.200 1.00 0.00 C
622
+ ATOM 621 N PHE A 78 -19.737 6.022 16.898 1.00 0.00 N
623
+ ATOM 622 CA PHE A 78 -18.532 6.558 16.277 1.00 0.00 C
624
+ ATOM 623 C PHE A 78 -17.344 6.461 17.226 1.00 0.00 C
625
+ ATOM 624 CB PHE A 78 -18.748 8.016 15.853 1.00 0.00 C
626
+ ATOM 625 O PHE A 78 -17.102 7.370 18.022 1.00 0.00 O
627
+ ATOM 626 CG PHE A 78 -17.717 8.524 14.882 1.00 0.00 C
628
+ ATOM 627 CD1 PHE A 78 -16.590 9.199 15.332 1.00 0.00 C
629
+ ATOM 628 CD2 PHE A 78 -17.876 8.325 13.516 1.00 0.00 C
630
+ ATOM 629 CE1 PHE A 78 -15.635 9.671 14.434 1.00 0.00 C
631
+ ATOM 630 CE2 PHE A 78 -16.926 8.792 12.613 1.00 0.00 C
632
+ ATOM 631 CZ PHE A 78 -15.806 9.467 13.074 1.00 0.00 C
633
+ ATOM 632 N PRO A 79 -16.532 5.478 17.172 1.00 0.00 N
634
+ ATOM 633 CA PRO A 79 -15.544 5.162 18.206 1.00 0.00 C
635
+ ATOM 634 C PRO A 79 -14.211 5.873 17.987 1.00 0.00 C
636
+ ATOM 635 CB PRO A 79 -15.380 3.643 18.085 1.00 0.00 C
637
+ ATOM 636 O PRO A 79 -13.278 5.704 18.777 1.00 0.00 O
638
+ ATOM 637 CG PRO A 79 -15.603 3.350 16.637 1.00 0.00 C
639
+ ATOM 638 CD PRO A 79 -16.681 4.263 16.126 1.00 0.00 C
640
+ ATOM 639 N PHE A 80 -14.029 6.768 16.943 1.00 0.00 N
641
+ ATOM 640 CA PHE A 80 -12.775 7.431 16.604 1.00 0.00 C
642
+ ATOM 641 C PHE A 80 -12.708 8.817 17.235 1.00 0.00 C
643
+ ATOM 642 CB PHE A 80 -12.616 7.539 15.084 1.00 0.00 C
644
+ ATOM 643 O PHE A 80 -13.711 9.532 17.284 1.00 0.00 O
645
+ ATOM 644 CG PHE A 80 -12.640 6.210 14.377 1.00 0.00 C
646
+ ATOM 645 CD1 PHE A 80 -11.495 5.427 14.301 1.00 0.00 C
647
+ ATOM 646 CD2 PHE A 80 -13.808 5.746 13.786 1.00 0.00 C
648
+ ATOM 647 CE1 PHE A 80 -11.514 4.197 13.647 1.00 0.00 C
649
+ ATOM 648 CE2 PHE A 80 -13.835 4.518 13.130 1.00 0.00 C
650
+ ATOM 649 CZ PHE A 80 -12.686 3.746 13.061 1.00 0.00 C
651
+ ATOM 650 N GLU A 81 -11.585 9.161 17.696 1.00 0.00 N
652
+ ATOM 651 CA GLU A 81 -11.330 10.483 18.261 1.00 0.00 C
653
+ ATOM 652 C GLU A 81 -10.096 11.123 17.629 1.00 0.00 C
654
+ ATOM 653 CB GLU A 81 -11.158 10.397 19.780 1.00 0.00 C
655
+ ATOM 654 O GLU A 81 -9.044 10.488 17.528 1.00 0.00 O
656
+ ATOM 655 CG GLU A 81 -12.453 10.116 20.528 1.00 0.00 C
657
+ ATOM 656 CD GLU A 81 -12.267 10.024 22.035 1.00 0.00 C
658
+ ATOM 657 OE1 GLU A 81 -12.595 8.968 22.623 1.00 0.00 O
659
+ ATOM 658 OE2 GLU A 81 -11.790 11.016 22.631 1.00 0.00 O
660
+ ATOM 659 N SER A 82 -10.197 12.351 17.230 1.00 0.00 N
661
+ ATOM 660 CA SER A 82 -9.091 13.084 16.622 1.00 0.00 C
662
+ ATOM 661 C SER A 82 -7.893 13.159 17.563 1.00 0.00 C
663
+ ATOM 662 CB SER A 82 -9.533 14.494 16.232 1.00 0.00 C
664
+ ATOM 663 O SER A 82 -8.052 13.407 18.760 1.00 0.00 O
665
+ ATOM 664 OG SER A 82 -10.522 14.451 15.219 1.00 0.00 O
666
+ ATOM 665 N GLY A 83 -6.810 12.891 16.959 1.00 0.00 N
667
+ ATOM 666 CA GLY A 83 -5.562 12.948 17.702 1.00 0.00 C
668
+ ATOM 667 C GLY A 83 -5.299 11.701 18.524 1.00 0.00 C
669
+ ATOM 668 O GLY A 83 -4.284 11.610 19.218 1.00 0.00 O
670
+ ATOM 669 N LYS A 84 -6.143 10.697 18.517 1.00 0.00 N
671
+ ATOM 670 CA LYS A 84 -6.005 9.506 19.350 1.00 0.00 C
672
+ ATOM 671 C LYS A 84 -5.657 8.283 18.507 1.00 0.00 C
673
+ ATOM 672 CB LYS A 84 -7.290 9.251 20.139 1.00 0.00 C
674
+ ATOM 673 O LYS A 84 -6.068 8.183 17.349 1.00 0.00 O
675
+ ATOM 674 CG LYS A 84 -7.641 10.355 21.125 1.00 0.00 C
676
+ ATOM 675 CD LYS A 84 -6.643 10.416 22.274 1.00 0.00 C
677
+ ATOM 676 CE LYS A 84 -7.057 11.440 23.322 1.00 0.00 C
678
+ ATOM 677 NZ LYS A 84 -6.115 11.459 24.481 1.00 0.00 N
679
+ ATOM 678 N PRO A 85 -4.869 7.367 19.138 1.00 0.00 N
680
+ ATOM 679 CA PRO A 85 -4.630 6.084 18.476 1.00 0.00 C
681
+ ATOM 680 C PRO A 85 -5.900 5.248 18.332 1.00 0.00 C
682
+ ATOM 681 CB PRO A 85 -3.622 5.392 19.398 1.00 0.00 C
683
+ ATOM 682 O PRO A 85 -6.839 5.406 19.117 1.00 0.00 O
684
+ ATOM 683 CG PRO A 85 -3.896 5.958 20.754 1.00 0.00 C
685
+ ATOM 684 CD PRO A 85 -4.354 7.379 20.595 1.00 0.00 C
686
+ ATOM 685 N PHE A 86 -5.919 4.411 17.313 1.00 0.00 N
687
+ ATOM 686 CA PHE A 86 -7.004 3.456 17.119 1.00 0.00 C
688
+ ATOM 687 C PHE A 86 -6.465 2.113 16.644 1.00 0.00 C
689
+ ATOM 688 CB PHE A 86 -8.024 3.998 16.113 1.00 0.00 C
690
+ ATOM 689 O PHE A 86 -5.378 2.043 16.067 1.00 0.00 O
691
+ ATOM 690 CG PHE A 86 -7.493 4.107 14.709 1.00 0.00 C
692
+ ATOM 691 CD1 PHE A 86 -7.031 5.322 14.217 1.00 0.00 C
693
+ ATOM 692 CD2 PHE A 86 -7.456 2.994 13.880 1.00 0.00 C
694
+ ATOM 693 CE1 PHE A 86 -6.540 5.425 12.919 1.00 0.00 C
695
+ ATOM 694 CE2 PHE A 86 -6.966 3.089 12.580 1.00 0.00 C
696
+ ATOM 695 CZ PHE A 86 -6.510 4.306 12.101 1.00 0.00 C
697
+ ATOM 696 N LYS A 87 -7.170 1.063 16.961 1.00 0.00 N
698
+ ATOM 697 CA LYS A 87 -7.048 -0.278 16.395 1.00 0.00 C
699
+ ATOM 698 C LYS A 87 -8.336 -0.698 15.694 1.00 0.00 C
700
+ ATOM 699 CB LYS A 87 -6.690 -1.290 17.485 1.00 0.00 C
701
+ ATOM 700 O LYS A 87 -9.392 -0.786 16.325 1.00 0.00 O
702
+ ATOM 701 CG LYS A 87 -6.550 -2.719 16.981 1.00 0.00 C
703
+ ATOM 702 CD LYS A 87 -6.065 -3.655 18.081 1.00 0.00 C
704
+ ATOM 703 CE LYS A 87 -7.229 -4.307 18.816 1.00 0.00 C
705
+ ATOM 704 NZ LYS A 87 -6.759 -5.312 19.815 1.00 0.00 N
706
+ ATOM 705 N ILE A 88 -8.304 -0.904 14.355 1.00 0.00 N
707
+ ATOM 706 CA ILE A 88 -9.406 -1.506 13.614 1.00 0.00 C
708
+ ATOM 707 C ILE A 88 -9.101 -2.976 13.336 1.00 0.00 C
709
+ ATOM 708 CB ILE A 88 -9.673 -0.754 12.290 1.00 0.00 C
710
+ ATOM 709 O ILE A 88 -7.998 -3.316 12.903 1.00 0.00 O
711
+ ATOM 710 CG1 ILE A 88 -9.969 0.725 12.565 1.00 0.00 C
712
+ ATOM 711 CG2 ILE A 88 -10.824 -1.409 11.521 1.00 0.00 C
713
+ ATOM 712 CD1 ILE A 88 -9.943 1.603 11.322 1.00 0.00 C
714
+ ATOM 713 N GLN A 89 -10.061 -3.834 13.591 1.00 0.00 N
715
+ ATOM 714 CA GLN A 89 -10.021 -5.237 13.195 1.00 0.00 C
716
+ ATOM 715 C GLN A 89 -11.203 -5.589 12.295 1.00 0.00 C
717
+ ATOM 716 CB GLN A 89 -10.012 -6.143 14.428 1.00 0.00 C
718
+ ATOM 717 O GLN A 89 -12.353 -5.295 12.629 1.00 0.00 O
719
+ ATOM 718 CG GLN A 89 -8.749 -6.023 15.270 1.00 0.00 C
720
+ ATOM 719 CD GLN A 89 -8.790 -6.888 16.515 1.00 0.00 C
721
+ ATOM 720 NE2 GLN A 89 -7.972 -7.936 16.536 1.00 0.00 N
722
+ ATOM 721 OE1 GLN A 89 -9.548 -6.617 17.453 1.00 0.00 O
723
+ ATOM 722 N VAL A 90 -10.916 -6.169 11.124 1.00 0.00 N
724
+ ATOM 723 CA VAL A 90 -11.941 -6.675 10.217 1.00 0.00 C
725
+ ATOM 724 C VAL A 90 -11.808 -8.191 10.083 1.00 0.00 C
726
+ ATOM 725 CB VAL A 90 -11.848 -6.008 8.827 1.00 0.00 C
727
+ ATOM 726 O VAL A 90 -10.817 -8.688 9.546 1.00 0.00 O
728
+ ATOM 727 CG1 VAL A 90 -13.008 -6.452 7.937 1.00 0.00 C
729
+ ATOM 728 CG2 VAL A 90 -11.830 -4.487 8.966 1.00 0.00 C
730
+ ATOM 729 N LEU A 91 -12.759 -8.915 10.613 1.00 0.00 N
731
+ ATOM 730 CA LEU A 91 -12.817 -10.366 10.467 1.00 0.00 C
732
+ ATOM 731 C LEU A 91 -13.680 -10.758 9.273 1.00 0.00 C
733
+ ATOM 732 CB LEU A 91 -13.364 -11.012 11.742 1.00 0.00 C
734
+ ATOM 733 O LEU A 91 -14.837 -10.343 9.176 1.00 0.00 O
735
+ ATOM 734 CG LEU A 91 -13.482 -12.536 11.734 1.00 0.00 C
736
+ ATOM 735 CD1 LEU A 91 -12.105 -13.173 11.576 1.00 0.00 C
737
+ ATOM 736 CD2 LEU A 91 -14.161 -13.028 13.008 1.00 0.00 C
738
+ ATOM 737 N VAL A 92 -13.121 -11.590 8.407 1.00 0.00 N
739
+ ATOM 738 CA VAL A 92 -13.870 -12.135 7.279 1.00 0.00 C
740
+ ATOM 739 C VAL A 92 -14.662 -13.361 7.728 1.00 0.00 C
741
+ ATOM 740 CB VAL A 92 -12.936 -12.505 6.105 1.00 0.00 C
742
+ ATOM 741 O VAL A 92 -14.082 -14.350 8.183 1.00 0.00 O
743
+ ATOM 742 CG1 VAL A 92 -13.747 -12.970 4.896 1.00 0.00 C
744
+ ATOM 743 CG2 VAL A 92 -12.050 -11.317 5.732 1.00 0.00 C
745
+ ATOM 744 N GLU A 93 -15.964 -13.260 7.607 1.00 0.00 N
746
+ ATOM 745 CA GLU A 93 -16.867 -14.385 7.833 1.00 0.00 C
747
+ ATOM 746 C GLU A 93 -17.485 -14.869 6.525 1.00 0.00 C
748
+ ATOM 747 CB GLU A 93 -17.969 -13.998 8.824 1.00 0.00 C
749
+ ATOM 748 O GLU A 93 -17.384 -14.196 5.498 1.00 0.00 O
750
+ ATOM 749 CG GLU A 93 -17.454 -13.661 10.216 1.00 0.00 C
751
+ ATOM 750 CD GLU A 93 -17.031 -14.886 11.011 1.00 0.00 C
752
+ ATOM 751 OE1 GLU A 93 -16.639 -14.738 12.191 1.00 0.00 O
753
+ ATOM 752 OE2 GLU A 93 -17.091 -16.002 10.450 1.00 0.00 O
754
+ ATOM 753 N PRO A 94 -18.091 -16.062 6.479 1.00 0.00 N
755
+ ATOM 754 CA PRO A 94 -18.619 -16.619 5.231 1.00 0.00 C
756
+ ATOM 755 C PRO A 94 -19.666 -15.718 4.579 1.00 0.00 C
757
+ ATOM 756 CB PRO A 94 -19.239 -17.947 5.673 1.00 0.00 C
758
+ ATOM 757 O PRO A 94 -19.793 -15.702 3.353 1.00 0.00 O
759
+ ATOM 758 CG PRO A 94 -18.425 -18.376 6.850 1.00 0.00 C
760
+ ATOM 759 CD PRO A 94 -18.063 -17.158 7.650 1.00 0.00 C
761
+ ATOM 760 N ASP A 95 -20.354 -14.915 5.427 1.00 0.00 N
762
+ ATOM 761 CA ASP A 95 -21.494 -14.195 4.867 1.00 0.00 C
763
+ ATOM 762 C ASP A 95 -21.409 -12.703 5.181 1.00 0.00 C
764
+ ATOM 763 CB ASP A 95 -22.807 -14.771 5.403 1.00 0.00 C
765
+ ATOM 764 O ASP A 95 -22.226 -11.915 4.701 1.00 0.00 O
766
+ ATOM 765 CG ASP A 95 -22.883 -14.765 6.919 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 95 -21.873 -14.441 7.579 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 95 -23.963 -15.090 7.459 1.00 0.00 O
769
+ ATOM 768 N HIS A 96 -20.490 -12.256 5.969 1.00 0.00 N
770
+ ATOM 769 CA HIS A 96 -20.366 -10.845 6.320 1.00 0.00 C
771
+ ATOM 770 C HIS A 96 -18.930 -10.496 6.695 1.00 0.00 C
772
+ ATOM 771 CB HIS A 96 -21.310 -10.495 7.472 1.00 0.00 C
773
+ ATOM 772 O HIS A 96 -18.116 -11.386 6.949 1.00 0.00 O
774
+ ATOM 773 CG HIS A 96 -21.017 -11.238 8.735 1.00 0.00 C
775
+ ATOM 774 CD2 HIS A 96 -20.305 -10.885 9.831 1.00 0.00 C
776
+ ATOM 775 ND1 HIS A 96 -21.479 -12.515 8.972 1.00 0.00 N
777
+ ATOM 776 CE1 HIS A 96 -21.064 -12.914 10.161 1.00 0.00 C
778
+ ATOM 777 NE2 HIS A 96 -20.349 -11.944 10.704 1.00 0.00 N
779
+ ATOM 778 N PHE A 97 -18.602 -9.190 6.614 1.00 0.00 N
780
+ ATOM 779 CA PHE A 97 -17.482 -8.622 7.356 1.00 0.00 C
781
+ ATOM 780 C PHE A 97 -17.911 -8.225 8.764 1.00 0.00 C
782
+ ATOM 781 CB PHE A 97 -16.910 -7.406 6.620 1.00 0.00 C
783
+ ATOM 782 O PHE A 97 -18.949 -7.585 8.945 1.00 0.00 O
784
+ ATOM 783 CG PHE A 97 -16.284 -7.739 5.292 1.00 0.00 C
785
+ ATOM 784 CD1 PHE A 97 -15.066 -8.403 5.229 1.00 0.00 C
786
+ ATOM 785 CD2 PHE A 97 -16.918 -7.389 4.106 1.00 0.00 C
787
+ ATOM 786 CE1 PHE A 97 -14.485 -8.713 4.001 1.00 0.00 C
788
+ ATOM 787 CE2 PHE A 97 -16.343 -7.695 2.876 1.00 0.00 C
789
+ ATOM 788 CZ PHE A 97 -15.127 -8.357 2.825 1.00 0.00 C
790
+ ATOM 789 N LYS A 98 -17.087 -8.612 9.751 1.00 0.00 N
791
+ ATOM 790 CA LYS A 98 -17.268 -8.154 11.126 1.00 0.00 C
792
+ ATOM 791 C LYS A 98 -16.191 -7.145 11.515 1.00 0.00 C
793
+ ATOM 792 CB LYS A 98 -17.251 -9.338 12.093 1.00 0.00 C
794
+ ATOM 793 O LYS A 98 -14.996 -7.427 11.395 1.00 0.00 O
795
+ ATOM 794 CG LYS A 98 -17.836 -9.027 13.463 1.00 0.00 C
796
+ ATOM 795 CD LYS A 98 -17.830 -10.255 14.364 1.00 0.00 C
797
+ ATOM 796 CE LYS A 98 -18.844 -10.125 15.493 1.00 0.00 C
798
+ ATOM 797 NZ LYS A 98 -18.920 -11.370 16.315 1.00 0.00 N
799
+ ATOM 798 N VAL A 99 -16.652 -5.924 12.000 1.00 0.00 N
800
+ ATOM 799 CA VAL A 99 -15.713 -4.857 12.331 1.00 0.00 C
801
+ ATOM 800 C VAL A 99 -15.725 -4.608 13.837 1.00 0.00 C
802
+ ATOM 801 CB VAL A 99 -16.045 -3.554 11.572 1.00 0.00 C
803
+ ATOM 802 O VAL A 99 -16.791 -4.470 14.442 1.00 0.00 O
804
+ ATOM 803 CG1 VAL A 99 -15.004 -2.477 11.867 1.00 0.00 C
805
+ ATOM 804 CG2 VAL A 99 -16.132 -3.819 10.070 1.00 0.00 C
806
+ ATOM 805 N ALA A 100 -14.539 -4.581 14.449 1.00 0.00 N
807
+ ATOM 806 CA ALA A 100 -14.302 -4.092 15.804 1.00 0.00 C
808
+ ATOM 807 C ALA A 100 -13.341 -2.907 15.799 1.00 0.00 C
809
+ ATOM 808 CB ALA A 100 -13.756 -5.212 16.685 1.00 0.00 C
810
+ ATOM 809 O ALA A 100 -12.418 -2.850 14.982 1.00 0.00 O
811
+ ATOM 810 N VAL A 101 -13.572 -1.973 16.647 1.00 0.00 N
812
+ ATOM 811 CA VAL A 101 -12.669 -0.849 16.877 1.00 0.00 C
813
+ ATOM 812 C VAL A 101 -12.298 -0.776 18.356 1.00 0.00 C
814
+ ATOM 813 CB VAL A 101 -13.297 0.486 16.418 1.00 0.00 C
815
+ ATOM 814 O VAL A 101 -13.174 -0.812 19.223 1.00 0.00 O
816
+ ATOM 815 CG1 VAL A 101 -12.331 1.645 16.650 1.00 0.00 C
817
+ ATOM 816 CG2 VAL A 101 -13.700 0.408 14.946 1.00 0.00 C
818
+ ATOM 817 N ASN A 102 -10.977 -0.773 18.595 1.00 0.00 N
819
+ ATOM 818 CA ASN A 102 -10.417 -0.757 19.942 1.00 0.00 C
820
+ ATOM 819 C ASN A 102 -10.967 -1.900 20.792 1.00 0.00 C
821
+ ATOM 820 CB ASN A 102 -10.688 0.587 20.622 1.00 0.00 C
822
+ ATOM 821 O ASN A 102 -11.449 -1.676 21.903 1.00 0.00 O
823
+ ATOM 822 CG ASN A 102 -10.070 1.753 19.877 1.00 0.00 C
824
+ ATOM 823 ND2 ASN A 102 -10.684 2.925 19.993 1.00 0.00 N
825
+ ATOM 824 OD1 ASN A 102 -9.049 1.602 19.200 1.00 0.00 O
826
+ ATOM 825 N ASP A 103 -11.032 -3.052 20.135 1.00 0.00 N
827
+ ATOM 826 CA ASP A 103 -11.365 -4.358 20.697 1.00 0.00 C
828
+ ATOM 827 C ASP A 103 -12.847 -4.439 21.058 1.00 0.00 C
829
+ ATOM 828 CB ASP A 103 -10.507 -4.645 21.930 1.00 0.00 C
830
+ ATOM 829 O ASP A 103 -13.283 -5.398 21.697 1.00 0.00 O
831
+ ATOM 830 CG ASP A 103 -9.017 -4.602 21.640 1.00 0.00 C
832
+ ATOM 831 OD1 ASP A 103 -8.581 -5.155 20.607 1.00 0.00 O
833
+ ATOM 832 OD2 ASP A 103 -8.272 -4.012 22.452 1.00 0.00 O
834
+ ATOM 833 N ALA A 104 -13.707 -3.483 20.655 1.00 0.00 N
835
+ ATOM 834 CA ALA A 104 -15.160 -3.500 20.804 1.00 0.00 C
836
+ ATOM 835 C ALA A 104 -15.847 -3.743 19.463 1.00 0.00 C
837
+ ATOM 836 CB ALA A 104 -15.647 -2.190 21.419 1.00 0.00 C
838
+ ATOM 837 O ALA A 104 -15.510 -3.107 18.462 1.00 0.00 O
839
+ ATOM 838 N HIS A 105 -16.843 -4.657 19.520 1.00 0.00 N
840
+ ATOM 839 CA HIS A 105 -17.642 -4.876 18.319 1.00 0.00 C
841
+ ATOM 840 C HIS A 105 -18.338 -3.593 17.880 1.00 0.00 C
842
+ ATOM 841 CB HIS A 105 -18.675 -5.979 18.558 1.00 0.00 C
843
+ ATOM 842 O HIS A 105 -18.956 -2.905 18.696 1.00 0.00 O
844
+ ATOM 843 CG HIS A 105 -19.601 -6.193 17.403 1.00 0.00 C
845
+ ATOM 844 CD2 HIS A 105 -20.904 -5.868 17.237 1.00 0.00 C
846
+ ATOM 845 ND1 HIS A 105 -19.208 -6.817 16.240 1.00 0.00 N
847
+ ATOM 846 CE1 HIS A 105 -20.231 -6.865 15.404 1.00 0.00 C
848
+ ATOM 847 NE2 HIS A 105 -21.274 -6.296 15.985 1.00 0.00 N
849
+ ATOM 848 N LEU A 106 -18.240 -3.311 16.526 1.00 0.00 N
850
+ ATOM 849 CA LEU A 106 -18.841 -2.084 16.012 1.00 0.00 C
851
+ ATOM 850 C LEU A 106 -20.001 -2.400 15.073 1.00 0.00 C
852
+ ATOM 851 CB LEU A 106 -17.793 -1.239 15.283 1.00 0.00 C
853
+ ATOM 852 O LEU A 106 -21.110 -1.894 15.260 1.00 0.00 O
854
+ ATOM 853 CG LEU A 106 -18.285 0.080 14.685 1.00 0.00 C
855
+ ATOM 854 CD1 LEU A 106 -18.765 1.016 15.789 1.00 0.00 C
856
+ ATOM 855 CD2 LEU A 106 -17.183 0.737 13.861 1.00 0.00 C
857
+ ATOM 856 N LEU A 107 -19.720 -3.254 14.038 1.00 0.00 N
858
+ ATOM 857 CA LEU A 107 -20.769 -3.542 13.066 1.00 0.00 C
859
+ ATOM 858 C LEU A 107 -20.482 -4.845 12.329 1.00 0.00 C
860
+ ATOM 859 CB LEU A 107 -20.902 -2.393 12.064 1.00 0.00 C
861
+ ATOM 860 O LEU A 107 -19.381 -5.393 12.433 1.00 0.00 O
862
+ ATOM 861 CG LEU A 107 -19.671 -2.096 11.206 1.00 0.00 C
863
+ ATOM 862 CD1 LEU A 107 -19.611 -3.046 10.016 1.00 0.00 C
864
+ ATOM 863 CD2 LEU A 107 -19.683 -0.644 10.738 1.00 0.00 C
865
+ ATOM 864 N GLN A 108 -21.529 -5.352 11.653 1.00 0.00 N
866
+ ATOM 865 CA GLN A 108 -21.428 -6.378 10.621 1.00 0.00 C
867
+ ATOM 866 C GLN A 108 -21.918 -5.854 9.274 1.00 0.00 C
868
+ ATOM 867 CB GLN A 108 -22.222 -7.623 11.020 1.00 0.00 C
869
+ ATOM 868 O GLN A 108 -22.907 -5.123 9.210 1.00 0.00 O
870
+ ATOM 869 CG GLN A 108 -21.666 -8.342 12.242 1.00 0.00 C
871
+ ATOM 870 CD GLN A 108 -22.501 -9.541 12.649 1.00 0.00 C
872
+ ATOM 871 NE2 GLN A 108 -22.157 -10.147 13.780 1.00 0.00 N
873
+ ATOM 872 OE1 GLN A 108 -23.448 -9.919 11.953 1.00 0.00 O
874
+ ATOM 873 N TYR A 109 -21.212 -6.165 8.255 1.00 0.00 N
875
+ ATOM 874 CA TYR A 109 -21.608 -5.812 6.896 1.00 0.00 C
876
+ ATOM 875 C TYR A 109 -21.794 -7.059 6.041 1.00 0.00 C
877
+ ATOM 876 CB TYR A 109 -20.566 -4.890 6.256 1.00 0.00 C
878
+ ATOM 877 O TYR A 109 -20.821 -7.733 5.694 1.00 0.00 O
879
+ ATOM 878 CG TYR A 109 -20.965 -4.377 4.894 1.00 0.00 C
880
+ ATOM 879 CD1 TYR A 109 -20.521 -5.007 3.733 1.00 0.00 C
881
+ ATOM 880 CD2 TYR A 109 -21.785 -3.261 4.763 1.00 0.00 C
882
+ ATOM 881 CE1 TYR A 109 -20.885 -4.536 2.475 1.00 0.00 C
883
+ ATOM 882 CE2 TYR A 109 -22.155 -2.782 3.511 1.00 0.00 C
884
+ ATOM 883 OH TYR A 109 -22.064 -2.956 1.132 1.00 0.00 O
885
+ ATOM 884 CZ TYR A 109 -21.701 -3.426 2.375 1.00 0.00 C
886
+ ATOM 885 N ASN A 110 -23.072 -7.350 5.657 1.00 0.00 N
887
+ ATOM 886 CA ASN A 110 -23.365 -8.535 4.857 1.00 0.00 C
888
+ ATOM 887 C ASN A 110 -22.762 -8.429 3.459 1.00 0.00 C
889
+ ATOM 888 CB ASN A 110 -24.875 -8.764 4.769 1.00 0.00 C
890
+ ATOM 889 O ASN A 110 -22.910 -7.404 2.791 1.00 0.00 O
891
+ ATOM 890 CG ASN A 110 -25.483 -9.165 6.098 1.00 0.00 C
892
+ ATOM 891 ND2 ASN A 110 -26.749 -8.818 6.300 1.00 0.00 N
893
+ ATOM 892 OD1 ASN A 110 -24.821 -9.781 6.937 1.00 0.00 O
894
+ ATOM 893 N HIS A 111 -22.096 -9.515 3.083 1.00 0.00 N
895
+ ATOM 894 CA HIS A 111 -21.459 -9.536 1.771 1.00 0.00 C
896
+ ATOM 895 C HIS A 111 -22.477 -9.306 0.660 1.00 0.00 C
897
+ ATOM 896 CB HIS A 111 -20.731 -10.863 1.550 1.00 0.00 C
898
+ ATOM 897 O HIS A 111 -23.475 -10.025 0.568 1.00 0.00 O
899
+ ATOM 898 CG HIS A 111 -19.614 -11.103 2.515 1.00 0.00 C
900
+ ATOM 899 CD2 HIS A 111 -19.225 -12.227 3.164 1.00 0.00 C
901
+ ATOM 900 ND1 HIS A 111 -18.748 -10.108 2.913 1.00 0.00 N
902
+ ATOM 901 CE1 HIS A 111 -17.871 -10.610 3.767 1.00 0.00 C
903
+ ATOM 902 NE2 HIS A 111 -18.139 -11.894 3.936 1.00 0.00 N
904
+ ATOM 903 N ARG A 112 -22.174 -8.425 -0.210 1.00 0.00 N
905
+ ATOM 904 CA ARG A 112 -22.935 -8.231 -1.440 1.00 0.00 C
906
+ ATOM 905 C ARG A 112 -22.196 -8.815 -2.639 1.00 0.00 C
907
+ ATOM 906 CB ARG A 112 -23.215 -6.744 -1.671 1.00 0.00 C
908
+ ATOM 907 O ARG A 112 -22.778 -8.979 -3.714 1.00 0.00 O
909
+ ATOM 908 CG ARG A 112 -24.040 -6.096 -0.570 1.00 0.00 C
910
+ ATOM 909 CD ARG A 112 -24.313 -4.626 -0.863 1.00 0.00 C
911
+ ATOM 910 NE ARG A 112 -24.954 -3.962 0.268 1.00 0.00 N
912
+ ATOM 911 NH1 ARG A 112 -24.866 -1.848 -0.657 1.00 0.00 N
913
+ ATOM 912 NH2 ARG A 112 -25.791 -2.158 1.417 1.00 0.00 N
914
+ ATOM 913 CZ ARG A 112 -25.202 -2.657 0.340 1.00 0.00 C
915
+ ATOM 914 N VAL A 113 -20.938 -9.078 -2.398 1.00 0.00 N
916
+ ATOM 915 CA VAL A 113 -20.068 -9.775 -3.340 1.00 0.00 C
917
+ ATOM 916 C VAL A 113 -19.818 -11.201 -2.857 1.00 0.00 C
918
+ ATOM 917 CB VAL A 113 -18.725 -9.033 -3.529 1.00 0.00 C
919
+ ATOM 918 O VAL A 113 -19.364 -11.410 -1.729 1.00 0.00 O
920
+ ATOM 919 CG1 VAL A 113 -17.805 -9.813 -4.466 1.00 0.00 C
921
+ ATOM 920 CG2 VAL A 113 -18.966 -7.623 -4.062 1.00 0.00 C
922
+ ATOM 921 N LYS A 114 -20.045 -12.165 -3.730 1.00 0.00 N
923
+ ATOM 922 CA LYS A 114 -19.970 -13.567 -3.328 1.00 0.00 C
924
+ ATOM 923 C LYS A 114 -18.573 -14.132 -3.564 1.00 0.00 C
925
+ ATOM 924 CB LYS A 114 -21.008 -14.398 -4.085 1.00 0.00 C
926
+ ATOM 925 O LYS A 114 -18.128 -15.024 -2.838 1.00 0.00 O
927
+ ATOM 926 CG LYS A 114 -22.449 -14.044 -3.750 1.00 0.00 C
928
+ ATOM 927 CD LYS A 114 -23.277 -15.288 -3.459 1.00 0.00 C
929
+ ATOM 928 CE LYS A 114 -24.731 -14.938 -3.172 1.00 0.00 C
930
+ ATOM 929 NZ LYS A 114 -25.525 -16.143 -2.787 1.00 0.00 N
931
+ ATOM 930 N LYS A 115 -17.877 -13.663 -4.512 1.00 0.00 N
932
+ ATOM 931 CA LYS A 115 -16.544 -14.163 -4.837 1.00 0.00 C
933
+ ATOM 932 C LYS A 115 -15.478 -13.483 -3.983 1.00 0.00 C
934
+ ATOM 933 CB LYS A 115 -16.237 -13.953 -6.321 1.00 0.00 C
935
+ ATOM 934 O LYS A 115 -14.698 -12.672 -4.484 1.00 0.00 O
936
+ ATOM 935 CG LYS A 115 -17.132 -14.753 -7.255 1.00 0.00 C
937
+ ATOM 936 CD LYS A 115 -16.738 -14.552 -8.714 1.00 0.00 C
938
+ ATOM 937 CE LYS A 115 -17.665 -15.310 -9.654 1.00 0.00 C
939
+ ATOM 938 NZ LYS A 115 -17.302 -15.091 -11.086 1.00 0.00 N
940
+ ATOM 939 N LEU A 116 -15.309 -13.925 -2.725 1.00 0.00 N
941
+ ATOM 940 CA LEU A 116 -14.461 -13.309 -1.711 1.00 0.00 C
942
+ ATOM 941 C LEU A 116 -12.987 -13.429 -2.089 1.00 0.00 C
943
+ ATOM 942 CB LEU A 116 -14.703 -13.954 -0.344 1.00 0.00 C
944
+ ATOM 943 O LEU A 116 -12.201 -12.515 -1.833 1.00 0.00 O
945
+ ATOM 944 CG LEU A 116 -16.110 -13.804 0.236 1.00 0.00 C
946
+ ATOM 945 CD1 LEU A 116 -16.181 -14.431 1.624 1.00 0.00 C
947
+ ATOM 946 CD2 LEU A 116 -16.515 -12.335 0.286 1.00 0.00 C
948
+ ATOM 947 N ASN A 117 -12.708 -14.566 -2.713 1.00 0.00 N
949
+ ATOM 948 CA ASN A 117 -11.334 -14.860 -3.106 1.00 0.00 C
950
+ ATOM 949 C ASN A 117 -10.831 -13.885 -4.166 1.00 0.00 C
951
+ ATOM 950 CB ASN A 117 -11.217 -16.300 -3.611 1.00 0.00 C
952
+ ATOM 951 O ASN A 117 -9.630 -13.818 -4.434 1.00 0.00 O
953
+ ATOM 952 CG ASN A 117 -12.033 -16.547 -4.865 1.00 0.00 C
954
+ ATOM 953 ND2 ASN A 117 -11.434 -17.226 -5.836 1.00 0.00 N
955
+ ATOM 954 OD1 ASN A 117 -13.189 -16.130 -4.961 1.00 0.00 O
956
+ ATOM 955 N GLU A 118 -11.713 -13.137 -4.746 1.00 0.00 N
957
+ ATOM 956 CA GLU A 118 -11.327 -12.144 -5.743 1.00 0.00 C
958
+ ATOM 957 C GLU A 118 -11.022 -10.798 -5.093 1.00 0.00 C
959
+ ATOM 958 CB GLU A 118 -12.428 -11.983 -6.796 1.00 0.00 C
960
+ ATOM 959 O GLU A 118 -10.521 -9.884 -5.751 1.00 0.00 O
961
+ ATOM 960 CG GLU A 118 -12.623 -13.209 -7.675 1.00 0.00 C
962
+ ATOM 961 CD GLU A 118 -13.727 -13.039 -8.706 1.00 0.00 C
963
+ ATOM 962 OE1 GLU A 118 -14.078 -14.028 -9.389 1.00 0.00 O
964
+ ATOM 963 OE2 GLU A 118 -14.244 -11.907 -8.833 1.00 0.00 O
965
+ ATOM 964 N ILE A 119 -11.339 -10.631 -3.847 1.00 0.00 N
966
+ ATOM 965 CA ILE A 119 -10.960 -9.440 -3.095 1.00 0.00 C
967
+ ATOM 966 C ILE A 119 -9.460 -9.464 -2.812 1.00 0.00 C
968
+ ATOM 967 CB ILE A 119 -11.753 -9.330 -1.773 1.00 0.00 C
969
+ ATOM 968 O ILE A 119 -9.016 -10.070 -1.835 1.00 0.00 O
970
+ ATOM 969 CG1 ILE A 119 -13.260 -9.416 -2.046 1.00 0.00 C
971
+ ATOM 970 CG2 ILE A 119 -11.403 -8.032 -1.040 1.00 0.00 C
972
+ ATOM 971 CD1 ILE A 119 -14.113 -9.502 -0.787 1.00 0.00 C
973
+ ATOM 972 N SER A 120 -8.679 -8.768 -3.602 1.00 0.00 N
974
+ ATOM 973 CA SER A 120 -7.244 -9.016 -3.696 1.00 0.00 C
975
+ ATOM 974 C SER A 120 -6.446 -7.893 -3.043 1.00 0.00 C
976
+ ATOM 975 CB SER A 120 -6.822 -9.169 -5.158 1.00 0.00 C
977
+ ATOM 976 O SER A 120 -5.221 -7.981 -2.927 1.00 0.00 O
978
+ ATOM 977 OG SER A 120 -7.156 -8.010 -5.904 1.00 0.00 O
979
+ ATOM 978 N LYS A 121 -7.139 -6.852 -2.586 1.00 0.00 N
980
+ ATOM 979 CA LYS A 121 -6.440 -5.678 -2.074 1.00 0.00 C
981
+ ATOM 980 C LYS A 121 -7.290 -4.935 -1.047 1.00 0.00 C
982
+ ATOM 981 CB LYS A 121 -6.058 -4.737 -3.218 1.00 0.00 C
983
+ ATOM 982 O LYS A 121 -8.505 -4.813 -1.214 1.00 0.00 O
984
+ ATOM 983 CG LYS A 121 -5.252 -3.523 -2.779 1.00 0.00 C
985
+ ATOM 984 CD LYS A 121 -4.850 -2.659 -3.967 1.00 0.00 C
986
+ ATOM 985 CE LYS A 121 -6.046 -1.918 -4.550 1.00 0.00 C
987
+ ATOM 986 NZ LYS A 121 -5.649 -1.032 -5.685 1.00 0.00 N
988
+ ATOM 987 N LEU A 122 -6.592 -4.445 -0.002 1.00 0.00 N
989
+ ATOM 988 CA LEU A 122 -7.170 -3.434 0.877 1.00 0.00 C
990
+ ATOM 989 C LEU A 122 -6.500 -2.081 0.663 1.00 0.00 C
991
+ ATOM 990 CB LEU A 122 -7.034 -3.857 2.342 1.00 0.00 C
992
+ ATOM 991 O LEU A 122 -5.307 -1.925 0.930 1.00 0.00 O
993
+ ATOM 992 CG LEU A 122 -7.360 -2.790 3.389 1.00 0.00 C
994
+ ATOM 993 CD1 LEU A 122 -8.829 -2.391 3.298 1.00 0.00 C
995
+ ATOM 994 CD2 LEU A 122 -7.023 -3.293 4.788 1.00 0.00 C
996
+ ATOM 995 N GLY A 123 -7.244 -1.095 0.140 1.00 0.00 N
997
+ ATOM 996 CA GLY A 123 -6.814 0.294 0.106 1.00 0.00 C
998
+ ATOM 997 C GLY A 123 -7.129 1.048 1.385 1.00 0.00 C
999
+ ATOM 998 O GLY A 123 -8.260 1.006 1.873 1.00 0.00 O
1000
+ ATOM 999 N ILE A 124 -6.229 1.706 2.017 1.00 0.00 N
1001
+ ATOM 1000 CA ILE A 124 -6.347 2.539 3.209 1.00 0.00 C
1002
+ ATOM 1001 C ILE A 124 -6.036 3.992 2.856 1.00 0.00 C
1003
+ ATOM 1002 CB ILE A 124 -5.409 2.049 4.336 1.00 0.00 C
1004
+ ATOM 1003 O ILE A 124 -4.987 4.286 2.277 1.00 0.00 O
1005
+ ATOM 1004 CG1 ILE A 124 -5.622 0.553 4.596 1.00 0.00 C
1006
+ ATOM 1005 CG2 ILE A 124 -5.630 2.864 5.614 1.00 0.00 C
1007
+ ATOM 1006 CD1 ILE A 124 -4.566 -0.075 5.493 1.00 0.00 C
1008
+ ATOM 1007 N SER A 125 -6.950 4.909 3.173 1.00 0.00 N
1009
+ ATOM 1008 CA SER A 125 -6.780 6.313 2.813 1.00 0.00 C
1010
+ ATOM 1009 C SER A 125 -7.473 7.229 3.816 1.00 0.00 C
1011
+ ATOM 1010 CB SER A 125 -7.326 6.577 1.408 1.00 0.00 C
1012
+ ATOM 1011 O SER A 125 -8.275 6.770 4.633 1.00 0.00 O
1013
+ ATOM 1012 OG SER A 125 -8.719 6.319 1.355 1.00 0.00 O
1014
+ ATOM 1013 N GLY A 126 -7.176 8.566 3.700 1.00 0.00 N
1015
+ ATOM 1014 CA GLY A 126 -7.789 9.573 4.552 1.00 0.00 C
1016
+ ATOM 1015 C GLY A 126 -6.827 10.165 5.564 1.00 0.00 C
1017
+ ATOM 1016 O GLY A 126 -5.624 10.252 5.308 1.00 0.00 O
1018
+ ATOM 1017 N ASP A 127 -7.362 10.675 6.666 1.00 0.00 N
1019
+ ATOM 1018 CA ASP A 127 -6.662 11.565 7.586 1.00 0.00 C
1020
+ ATOM 1019 C ASP A 127 -6.135 10.799 8.798 1.00 0.00 C
1021
+ ATOM 1020 CB ASP A 127 -7.582 12.700 8.040 1.00 0.00 C
1022
+ ATOM 1021 O ASP A 127 -6.535 11.071 9.932 1.00 0.00 O
1023
+ ATOM 1022 CG ASP A 127 -8.145 13.507 6.884 1.00 0.00 C
1024
+ ATOM 1023 OD1 ASP A 127 -7.367 13.939 6.007 1.00 0.00 O
1025
+ ATOM 1024 OD2 ASP A 127 -9.377 13.715 6.851 1.00 0.00 O
1026
+ ATOM 1025 N ILE A 128 -5.162 9.913 8.567 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 128 -4.584 9.089 9.623 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 128 -3.066 9.033 9.463 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 128 -5.176 7.661 9.613 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 128 -2.548 9.175 8.353 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 128 -4.892 6.975 8.272 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 128 -6.680 7.699 9.901 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 128 -5.237 5.492 8.252 1.00 0.00 C
1034
+ ATOM 1033 N ASP A 129 -2.397 8.885 10.494 1.00 0.00 N
1035
+ ATOM 1034 CA ASP A 129 -1.034 8.366 10.524 1.00 0.00 C
1036
+ ATOM 1035 C ASP A 129 -1.027 6.853 10.733 1.00 0.00 C
1037
+ ATOM 1036 CB ASP A 129 -0.223 9.053 11.625 1.00 0.00 C
1038
+ ATOM 1037 O ASP A 129 -1.306 6.372 11.833 1.00 0.00 O
1039
+ ATOM 1038 CG ASP A 129 -0.064 10.547 11.400 1.00 0.00 C
1040
+ ATOM 1039 OD1 ASP A 129 0.126 10.971 10.240 1.00 0.00 O
1041
+ ATOM 1040 OD2 ASP A 129 -0.126 11.304 12.392 1.00 0.00 O
1042
+ ATOM 1041 N LEU A 130 -0.722 6.076 9.645 1.00 0.00 N
1043
+ ATOM 1042 CA LEU A 130 -0.808 4.620 9.654 1.00 0.00 C
1044
+ ATOM 1043 C LEU A 130 0.449 4.004 10.260 1.00 0.00 C
1045
+ ATOM 1044 CB LEU A 130 -1.017 4.087 8.234 1.00 0.00 C
1046
+ ATOM 1045 O LEU A 130 1.562 4.281 9.807 1.00 0.00 O
1047
+ ATOM 1046 CG LEU A 130 -1.217 2.577 8.100 1.00 0.00 C
1048
+ ATOM 1047 CD1 LEU A 130 -2.480 2.142 8.836 1.00 0.00 C
1049
+ ATOM 1048 CD2 LEU A 130 -1.285 2.174 6.630 1.00 0.00 C
1050
+ ATOM 1049 N THR A 131 0.240 3.210 11.255 1.00 0.00 N
1051
+ ATOM 1050 CA THR A 131 1.345 2.550 11.943 1.00 0.00 C
1052
+ ATOM 1051 C THR A 131 1.591 1.161 11.361 1.00 0.00 C
1053
+ ATOM 1052 CB THR A 131 1.075 2.436 13.454 1.00 0.00 C
1054
+ ATOM 1053 O THR A 131 2.731 0.804 11.055 1.00 0.00 O
1055
+ ATOM 1054 CG2 THR A 131 2.273 1.837 14.183 1.00 0.00 C
1056
+ ATOM 1055 OG1 THR A 131 0.810 3.741 13.986 1.00 0.00 O
1057
+ ATOM 1056 N SER A 132 0.607 0.384 11.232 1.00 0.00 N
1058
+ ATOM 1057 CA SER A 132 0.730 -0.954 10.662 1.00 0.00 C
1059
+ ATOM 1058 C SER A 132 -0.580 -1.408 10.029 1.00 0.00 C
1060
+ ATOM 1059 CB SER A 132 1.163 -1.955 11.733 1.00 0.00 C
1061
+ ATOM 1060 O SER A 132 -1.655 -0.938 10.409 1.00 0.00 O
1062
+ ATOM 1061 OG SER A 132 0.102 -2.217 12.635 1.00 0.00 O
1063
+ ATOM 1062 N ALA A 133 -0.479 -2.199 9.044 1.00 0.00 N
1064
+ ATOM 1063 CA ALA A 133 -1.564 -2.958 8.428 1.00 0.00 C
1065
+ ATOM 1064 C ALA A 133 -1.117 -4.378 8.090 1.00 0.00 C
1066
+ ATOM 1065 CB ALA A 133 -2.065 -2.249 7.173 1.00 0.00 C
1067
+ ATOM 1066 O ALA A 133 -0.115 -4.571 7.398 1.00 0.00 O
1068
+ ATOM 1067 N SER A 134 -1.866 -5.351 8.616 1.00 0.00 N
1069
+ ATOM 1068 CA SER A 134 -1.496 -6.749 8.416 1.00 0.00 C
1070
+ ATOM 1069 C SER A 134 -2.722 -7.653 8.432 1.00 0.00 C
1071
+ ATOM 1070 CB SER A 134 -0.504 -7.199 9.488 1.00 0.00 C
1072
+ ATOM 1071 O SER A 134 -3.818 -7.217 8.793 1.00 0.00 O
1073
+ ATOM 1072 OG SER A 134 -1.090 -7.129 10.777 1.00 0.00 O
1074
+ ATOM 1073 N TYR A 135 -2.535 -8.874 7.942 1.00 0.00 N
1075
+ ATOM 1074 CA TYR A 135 -3.579 -9.885 8.072 1.00 0.00 C
1076
+ ATOM 1075 C TYR A 135 -3.009 -11.192 8.609 1.00 0.00 C
1077
+ ATOM 1076 CB TYR A 135 -4.264 -10.128 6.724 1.00 0.00 C
1078
+ ATOM 1077 O TYR A 135 -1.820 -11.473 8.441 1.00 0.00 O
1079
+ ATOM 1078 CG TYR A 135 -3.348 -10.714 5.676 1.00 0.00 C
1080
+ ATOM 1079 CD1 TYR A 135 -2.649 -9.893 4.795 1.00 0.00 C
1081
+ ATOM 1080 CD2 TYR A 135 -3.182 -12.091 5.564 1.00 0.00 C
1082
+ ATOM 1081 CE1 TYR A 135 -1.807 -10.428 3.826 1.00 0.00 C
1083
+ ATOM 1082 CE2 TYR A 135 -2.342 -12.638 4.600 1.00 0.00 C
1084
+ ATOM 1083 OH TYR A 135 -0.828 -12.336 2.780 1.00 0.00 O
1085
+ ATOM 1084 CZ TYR A 135 -1.660 -11.799 3.737 1.00 0.00 C
1086
+ ATOM 1085 N THR A 136 -3.784 -11.933 9.277 1.00 0.00 N
1087
+ ATOM 1086 CA THR A 136 -3.479 -13.263 9.793 1.00 0.00 C
1088
+ ATOM 1087 C THR A 136 -4.694 -14.179 9.680 1.00 0.00 C
1089
+ ATOM 1088 CB THR A 136 -3.016 -13.199 11.261 1.00 0.00 C
1090
+ ATOM 1089 O THR A 136 -5.822 -13.707 9.515 1.00 0.00 O
1091
+ ATOM 1090 CG2 THR A 136 -4.165 -12.803 12.183 1.00 0.00 C
1092
+ ATOM 1091 OG1 THR A 136 -2.523 -14.485 11.655 1.00 0.00 O
1093
+ ATOM 1092 N MET A 137 -4.452 -15.501 9.684 1.00 0.00 N
1094
+ ATOM 1093 CA MET A 137 -5.527 -16.480 9.822 1.00 0.00 C
1095
+ ATOM 1094 C MET A 137 -5.809 -16.776 11.291 1.00 0.00 C
1096
+ ATOM 1095 CB MET A 137 -5.173 -17.775 9.087 1.00 0.00 C
1097
+ ATOM 1096 O MET A 137 -4.881 -16.904 12.092 1.00 0.00 O
1098
+ ATOM 1097 CG MET A 137 -4.928 -17.587 7.599 1.00 0.00 C
1099
+ ATOM 1098 SD MET A 137 -6.355 -16.812 6.744 1.00 0.00 S
1100
+ ATOM 1099 CE MET A 137 -7.638 -18.052 7.073 1.00 0.00 C
1101
+ ATOM 1100 N ILE A 138 -7.142 -16.867 11.615 1.00 0.00 N
1102
+ ATOM 1101 CA ILE A 138 -7.454 -17.190 13.002 1.00 0.00 C
1103
+ ATOM 1102 C ILE A 138 -8.346 -18.428 13.055 1.00 0.00 C
1104
+ ATOM 1103 CB ILE A 138 -8.138 -16.005 13.719 1.00 0.00 C
1105
+ ATOM 1104 O ILE A 138 -9.071 -18.720 12.101 1.00 0.00 O
1106
+ ATOM 1105 CG1 ILE A 138 -9.446 -15.636 13.011 1.00 0.00 C
1107
+ ATOM 1106 CG2 ILE A 138 -7.195 -14.801 13.790 1.00 0.00 C
1108
+ ATOM 1107 CD1 ILE A 138 -10.318 -14.661 13.790 1.00 0.00 C
1109
+ ATOM 1108 OXT ILE A 138 -7.868 -18.634 14.151 1.00 0.00 O
1110
+ TER 1109 ILE A 138
1111
+ END
6qln/6qln_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,1111 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N PRO A 1 6.378 4.750 10.110 1.00 0.00 N
3
+ ATOM 2 CA PRO A 1 4.996 4.889 9.644 1.00 0.00 C
4
+ ATOM 3 C PRO A 1 4.837 4.553 8.162 1.00 0.00 C
5
+ ATOM 4 CB PRO A 1 4.683 6.364 9.905 1.00 0.00 C
6
+ ATOM 5 O PRO A 1 5.729 4.841 7.361 1.00 0.00 O
7
+ ATOM 6 CG PRO A 1 5.893 6.895 10.602 1.00 0.00 C
8
+ ATOM 7 CD PRO A 1 6.969 5.848 10.552 1.00 0.00 C
9
+ ATOM 8 N LEU A 2 3.765 3.896 7.725 1.00 0.00 N
10
+ ATOM 9 CA LEU A 2 3.425 3.578 6.342 1.00 0.00 C
11
+ ATOM 10 C LEU A 2 2.826 4.791 5.637 1.00 0.00 C
12
+ ATOM 11 CB LEU A 2 2.443 2.404 6.288 1.00 0.00 C
13
+ ATOM 12 O LEU A 2 2.135 5.598 6.261 1.00 0.00 O
14
+ ATOM 13 CG LEU A 2 2.931 1.084 6.884 1.00 0.00 C
15
+ ATOM 14 CD1 LEU A 2 1.790 0.073 6.940 1.00 0.00 C
16
+ ATOM 15 CD2 LEU A 2 4.102 0.533 6.078 1.00 0.00 C
17
+ ATOM 16 N ILE A 3 3.113 4.933 4.471 1.00 0.00 N
18
+ ATOM 17 CA ILE A 3 2.645 6.074 3.692 1.00 0.00 C
19
+ ATOM 18 C ILE A 3 1.191 5.856 3.280 1.00 0.00 C
20
+ ATOM 19 CB ILE A 3 3.527 6.307 2.444 1.00 0.00 C
21
+ ATOM 20 O ILE A 3 0.855 4.827 2.688 1.00 0.00 O
22
+ ATOM 21 CG1 ILE A 3 4.964 6.642 2.862 1.00 0.00 C
23
+ ATOM 22 CG2 ILE A 3 2.940 7.416 1.567 1.00 0.00 C
24
+ ATOM 23 CD1 ILE A 3 5.944 6.719 1.699 1.00 0.00 C
25
+ ATOM 24 N VAL A 4 0.339 6.815 3.460 1.00 0.00 N
26
+ ATOM 25 CA VAL A 4 -1.075 6.783 3.104 1.00 0.00 C
27
+ ATOM 26 C VAL A 4 -1.320 7.663 1.881 1.00 0.00 C
28
+ ATOM 27 CB VAL A 4 -1.967 7.243 4.279 1.00 0.00 C
29
+ ATOM 28 O VAL A 4 -0.812 8.784 1.803 1.00 0.00 O
30
+ ATOM 29 CG1 VAL A 4 -3.433 7.300 3.853 1.00 0.00 C
31
+ ATOM 30 CG2 VAL A 4 -1.791 6.314 5.478 1.00 0.00 C
32
+ ATOM 31 N PRO A 5 -1.976 7.224 0.961 1.00 0.00 N
33
+ ATOM 32 CA PRO A 5 -2.769 5.994 0.901 1.00 0.00 C
34
+ ATOM 33 C PRO A 5 -1.904 4.738 0.827 1.00 0.00 C
35
+ ATOM 34 CB PRO A 5 -3.590 6.168 -0.379 1.00 0.00 C
36
+ ATOM 35 O PRO A 5 -0.798 4.776 0.281 1.00 0.00 O
37
+ ATOM 36 CG PRO A 5 -2.737 7.011 -1.270 1.00 0.00 C
38
+ ATOM 37 CD PRO A 5 -1.963 7.974 -0.417 1.00 0.00 C
39
+ ATOM 38 N TYR A 6 -2.330 3.759 1.408 1.00 0.00 N
40
+ ATOM 39 CA TYR A 6 -1.638 2.478 1.496 1.00 0.00 C
41
+ ATOM 40 C TYR A 6 -2.496 1.354 0.929 1.00 0.00 C
42
+ ATOM 41 CB TYR A 6 -1.263 2.168 2.947 1.00 0.00 C
43
+ ATOM 42 O TYR A 6 -3.712 1.330 1.133 1.00 0.00 O
44
+ ATOM 43 CG TYR A 6 -0.445 0.909 3.107 1.00 0.00 C
45
+ ATOM 44 CD1 TYR A 6 0.914 0.896 2.803 1.00 0.00 C
46
+ ATOM 45 CD2 TYR A 6 -1.028 -0.268 3.562 1.00 0.00 C
47
+ ATOM 46 CE1 TYR A 6 1.673 -0.261 2.946 1.00 0.00 C
48
+ ATOM 47 CE2 TYR A 6 -0.280 -1.431 3.710 1.00 0.00 C
49
+ ATOM 48 OH TYR A 6 1.813 -2.567 3.545 1.00 0.00 O
50
+ ATOM 49 CZ TYR A 6 1.067 -1.418 3.401 1.00 0.00 C
51
+ ATOM 50 N ASN A 7 -1.919 0.490 0.264 1.00 0.00 N
52
+ ATOM 51 CA ASN A 7 -2.570 -0.716 -0.238 1.00 0.00 C
53
+ ATOM 52 C ASN A 7 -1.985 -1.974 0.398 1.00 0.00 C
54
+ ATOM 53 CB ASN A 7 -2.463 -0.791 -1.762 1.00 0.00 C
55
+ ATOM 54 O ASN A 7 -0.803 -2.272 0.219 1.00 0.00 O
56
+ ATOM 55 CG ASN A 7 -3.309 0.256 -2.459 1.00 0.00 C
57
+ ATOM 56 ND2 ASN A 7 -2.761 0.860 -3.507 1.00 0.00 N
58
+ ATOM 57 OD1 ASN A 7 -4.446 0.520 -2.059 1.00 0.00 O
59
+ ATOM 58 N LEU A 8 -2.772 -2.634 1.155 1.00 0.00 N
60
+ ATOM 59 CA LEU A 8 -2.387 -3.934 1.694 1.00 0.00 C
61
+ ATOM 60 C LEU A 8 -2.753 -5.055 0.728 1.00 0.00 C
62
+ ATOM 61 CB LEU A 8 -3.060 -4.174 3.049 1.00 0.00 C
63
+ ATOM 62 O LEU A 8 -3.935 -5.317 0.494 1.00 0.00 O
64
+ ATOM 63 CG LEU A 8 -2.752 -5.505 3.734 1.00 0.00 C
65
+ ATOM 64 CD1 LEU A 8 -1.278 -5.574 4.120 1.00 0.00 C
66
+ ATOM 65 CD2 LEU A 8 -3.640 -5.696 4.958 1.00 0.00 C
67
+ ATOM 66 N PRO A 9 -1.702 -5.641 0.101 1.00 0.00 N
68
+ ATOM 67 CA PRO A 9 -2.037 -6.758 -0.785 1.00 0.00 C
69
+ ATOM 68 C PRO A 9 -2.642 -7.944 -0.038 1.00 0.00 C
70
+ ATOM 69 CB PRO A 9 -0.689 -7.133 -1.406 1.00 0.00 C
71
+ ATOM 70 O PRO A 9 -2.219 -8.255 1.079 1.00 0.00 O
72
+ ATOM 71 CG PRO A 9 0.199 -5.964 -1.125 1.00 0.00 C
73
+ ATOM 72 CD PRO A 9 -0.305 -5.266 0.106 1.00 0.00 C
74
+ ATOM 73 N LEU A 10 -3.636 -8.532 -0.530 1.00 0.00 N
75
+ ATOM 74 CA LEU A 10 -4.299 -9.744 -0.061 1.00 0.00 C
76
+ ATOM 75 C LEU A 10 -4.242 -10.839 -1.122 1.00 0.00 C
77
+ ATOM 76 CB LEU A 10 -5.755 -9.453 0.309 1.00 0.00 C
78
+ ATOM 77 O LEU A 10 -5.249 -11.138 -1.766 1.00 0.00 O
79
+ ATOM 78 CG LEU A 10 -5.981 -8.383 1.378 1.00 0.00 C
80
+ ATOM 79 CD1 LEU A 10 -7.438 -7.934 1.379 1.00 0.00 C
81
+ ATOM 80 CD2 LEU A 10 -5.577 -8.906 2.752 1.00 0.00 C
82
+ ATOM 81 N PRO A 11 -2.930 -11.432 -1.231 1.00 0.00 N
83
+ ATOM 82 CA PRO A 11 -2.763 -12.442 -2.279 1.00 0.00 C
84
+ ATOM 83 C PRO A 11 -3.673 -13.652 -2.082 1.00 0.00 C
85
+ ATOM 84 CB PRO A 11 -1.291 -12.839 -2.156 1.00 0.00 C
86
+ ATOM 85 O PRO A 11 -3.769 -14.183 -0.972 1.00 0.00 O
87
+ ATOM 86 CG PRO A 11 -0.927 -12.523 -0.740 1.00 0.00 C
88
+ ATOM 87 CD PRO A 11 -1.789 -11.388 -0.269 1.00 0.00 C
89
+ ATOM 88 N GLY A 12 -4.546 -14.004 -3.098 1.00 0.00 N
90
+ ATOM 89 CA GLY A 12 -5.517 -15.083 -3.030 1.00 0.00 C
91
+ ATOM 90 C GLY A 12 -6.886 -14.627 -2.559 1.00 0.00 C
92
+ ATOM 91 O GLY A 12 -7.800 -15.440 -2.413 1.00 0.00 O
93
+ ATOM 92 N GLY A 13 -6.978 -13.326 -2.234 1.00 0.00 N
94
+ ATOM 93 CA GLY A 13 -8.264 -12.805 -1.797 1.00 0.00 C
95
+ ATOM 94 C GLY A 13 -8.509 -12.991 -0.312 1.00 0.00 C
96
+ ATOM 95 O GLY A 13 -7.644 -13.493 0.408 1.00 0.00 O
97
+ ATOM 96 N VAL A 14 -9.610 -12.481 0.126 1.00 0.00 N
98
+ ATOM 97 CA VAL A 14 -9.940 -12.704 1.530 1.00 0.00 C
99
+ ATOM 98 C VAL A 14 -10.652 -14.045 1.686 1.00 0.00 C
100
+ ATOM 99 CB VAL A 14 -10.819 -11.565 2.094 1.00 0.00 C
101
+ ATOM 100 O VAL A 14 -11.305 -14.522 0.755 1.00 0.00 O
102
+ ATOM 101 CG1 VAL A 14 -10.088 -10.226 2.007 1.00 0.00 C
103
+ ATOM 102 CG2 VAL A 14 -12.151 -11.502 1.350 1.00 0.00 C
104
+ ATOM 103 N VAL A 15 -10.501 -14.647 2.842 1.00 0.00 N
105
+ ATOM 104 CA VAL A 15 -11.126 -15.927 3.157 1.00 0.00 C
106
+ ATOM 105 C VAL A 15 -11.662 -15.904 4.587 1.00 0.00 C
107
+ ATOM 106 CB VAL A 15 -10.137 -17.100 2.977 1.00 0.00 C
108
+ ATOM 107 O VAL A 15 -11.180 -15.138 5.424 1.00 0.00 O
109
+ ATOM 108 CG1 VAL A 15 -9.708 -17.227 1.517 1.00 0.00 C
110
+ ATOM 109 CG2 VAL A 15 -8.919 -16.914 3.881 1.00 0.00 C
111
+ ATOM 110 N PRO A 16 -12.710 -16.731 4.817 1.00 0.00 N
112
+ ATOM 111 CA PRO A 16 -13.200 -16.811 6.195 1.00 0.00 C
113
+ ATOM 112 C PRO A 16 -12.093 -17.129 7.198 1.00 0.00 C
114
+ ATOM 113 CB PRO A 16 -14.226 -17.946 6.138 1.00 0.00 C
115
+ ATOM 114 O PRO A 16 -11.195 -17.920 6.901 1.00 0.00 O
116
+ ATOM 115 CG PRO A 16 -14.756 -17.913 4.742 1.00 0.00 C
117
+ ATOM 116 CD PRO A 16 -13.626 -17.575 3.811 1.00 0.00 C
118
+ ATOM 117 N ARG A 17 -12.162 -16.399 8.347 1.00 0.00 N
119
+ ATOM 118 CA ARG A 17 -11.279 -16.531 9.501 1.00 0.00 C
120
+ ATOM 119 C ARG A 17 -10.022 -15.686 9.328 1.00 0.00 C
121
+ ATOM 120 CB ARG A 17 -10.899 -17.996 9.722 1.00 0.00 C
122
+ ATOM 121 O ARG A 17 -9.116 -15.734 10.163 1.00 0.00 O
123
+ ATOM 122 CG ARG A 17 -12.082 -18.898 10.039 1.00 0.00 C
124
+ ATOM 123 CD ARG A 17 -11.643 -20.331 10.306 1.00 0.00 C
125
+ ATOM 124 NE ARG A 17 -10.784 -20.421 11.484 1.00 0.00 N
126
+ ATOM 125 NH1 ARG A 17 -9.801 -22.420 10.870 1.00 0.00 N
127
+ ATOM 126 NH2 ARG A 17 -9.196 -21.394 12.828 1.00 0.00 N
128
+ ATOM 127 CZ ARG A 17 -9.929 -21.411 11.724 1.00 0.00 C
129
+ ATOM 128 N MET A 18 -9.996 -14.998 8.232 1.00 0.00 N
130
+ ATOM 129 CA MET A 18 -8.951 -13.991 8.076 1.00 0.00 C
131
+ ATOM 130 C MET A 18 -9.231 -12.776 8.953 1.00 0.00 C
132
+ ATOM 131 CB MET A 18 -8.831 -13.563 6.613 1.00 0.00 C
133
+ ATOM 132 O MET A 18 -10.313 -12.191 8.884 1.00 0.00 O
134
+ ATOM 133 CG MET A 18 -7.728 -12.548 6.359 1.00 0.00 C
135
+ ATOM 134 SD MET A 18 -7.630 -12.041 4.598 1.00 0.00 S
136
+ ATOM 135 CE MET A 18 -6.671 -13.424 3.919 1.00 0.00 C
137
+ ATOM 136 N LEU A 19 -8.270 -12.438 9.839 1.00 0.00 N
138
+ ATOM 137 CA LEU A 19 -8.354 -11.241 10.668 1.00 0.00 C
139
+ ATOM 138 C LEU A 19 -7.376 -10.175 10.186 1.00 0.00 C
140
+ ATOM 139 CB LEU A 19 -8.072 -11.583 12.134 1.00 0.00 C
141
+ ATOM 140 O LEU A 19 -6.161 -10.377 10.226 1.00 0.00 O
142
+ ATOM 141 CG LEU A 19 -8.129 -10.420 13.125 1.00 0.00 C
143
+ ATOM 142 CD1 LEU A 19 -9.554 -9.888 13.237 1.00 0.00 C
144
+ ATOM 143 CD2 LEU A 19 -7.605 -10.854 14.490 1.00 0.00 C
145
+ ATOM 144 N ILE A 20 -7.893 -9.045 9.694 1.00 0.00 N
146
+ ATOM 145 CA ILE A 20 -7.107 -7.878 9.309 1.00 0.00 C
147
+ ATOM 146 C ILE A 20 -7.023 -6.903 10.482 1.00 0.00 C
148
+ ATOM 147 CB ILE A 20 -7.706 -7.175 8.071 1.00 0.00 C
149
+ ATOM 148 O ILE A 20 -8.029 -6.625 11.139 1.00 0.00 O
150
+ ATOM 149 CG1 ILE A 20 -7.746 -8.137 6.879 1.00 0.00 C
151
+ ATOM 150 CG2 ILE A 20 -6.912 -5.912 7.729 1.00 0.00 C
152
+ ATOM 151 CD1 ILE A 20 -9.064 -8.884 6.729 1.00 0.00 C
153
+ ATOM 152 N THR A 21 -5.832 -6.392 10.776 1.00 0.00 N
154
+ ATOM 153 CA THR A 21 -5.600 -5.440 11.857 1.00 0.00 C
155
+ ATOM 154 C THR A 21 -4.883 -4.196 11.336 1.00 0.00 C
156
+ ATOM 155 CB THR A 21 -4.776 -6.072 12.993 1.00 0.00 C
157
+ ATOM 156 O THR A 21 -3.853 -4.301 10.670 1.00 0.00 O
158
+ ATOM 157 CG2 THR A 21 -4.595 -5.096 14.150 1.00 0.00 C
159
+ ATOM 158 OG1 THR A 21 -5.451 -7.243 13.470 1.00 0.00 O
160
+ ATOM 159 N ILE A 22 -5.431 -3.061 11.612 1.00 0.00 N
161
+ ATOM 160 CA ILE A 22 -4.909 -1.759 11.211 1.00 0.00 C
162
+ ATOM 161 C ILE A 22 -4.674 -0.894 12.447 1.00 0.00 C
163
+ ATOM 162 CB ILE A 22 -5.866 -1.045 10.230 1.00 0.00 C
164
+ ATOM 163 O ILE A 22 -5.599 -0.645 13.223 1.00 0.00 O
165
+ ATOM 164 CG1 ILE A 22 -6.130 -1.925 9.003 1.00 0.00 C
166
+ ATOM 165 CG2 ILE A 22 -5.298 0.316 9.815 1.00 0.00 C
167
+ ATOM 166 CD1 ILE A 22 -7.374 -1.536 8.218 1.00 0.00 C
168
+ ATOM 167 N LEU A 23 -3.468 -0.449 12.637 1.00 0.00 N
169
+ ATOM 168 CA LEU A 23 -3.090 0.450 13.721 1.00 0.00 C
170
+ ATOM 169 C LEU A 23 -2.667 1.811 13.177 1.00 0.00 C
171
+ ATOM 170 CB LEU A 23 -1.954 -0.157 14.550 1.00 0.00 C
172
+ ATOM 171 O LEU A 23 -1.886 1.887 12.225 1.00 0.00 O
173
+ ATOM 172 CG LEU A 23 -2.233 -1.518 15.187 1.00 0.00 C
174
+ ATOM 173 CD1 LEU A 23 -0.979 -2.049 15.873 1.00 0.00 C
175
+ ATOM 174 CD2 LEU A 23 -3.388 -1.419 16.178 1.00 0.00 C
176
+ ATOM 175 N GLY A 24 -3.153 2.859 13.770 1.00 0.00 N
177
+ ATOM 176 CA GLY A 24 -2.791 4.210 13.374 1.00 0.00 C
178
+ ATOM 177 C GLY A 24 -3.246 5.264 14.365 1.00 0.00 C
179
+ ATOM 178 O GLY A 24 -3.646 4.939 15.485 1.00 0.00 O
180
+ ATOM 179 N THR A 25 -3.087 6.491 13.983 1.00 0.00 N
181
+ ATOM 180 CA THR A 25 -3.529 7.671 14.716 1.00 0.00 C
182
+ ATOM 181 C THR A 25 -4.318 8.609 13.807 1.00 0.00 C
183
+ ATOM 182 CB THR A 25 -2.335 8.429 15.327 1.00 0.00 C
184
+ ATOM 183 O THR A 25 -3.924 8.853 12.665 1.00 0.00 O
185
+ ATOM 184 CG2 THR A 25 -2.808 9.601 16.182 1.00 0.00 C
186
+ ATOM 185 OG1 THR A 25 -1.575 7.531 16.145 1.00 0.00 O
187
+ ATOM 186 N VAL A 26 -5.428 9.047 14.305 1.00 0.00 N
188
+ ATOM 187 CA VAL A 26 -6.202 10.028 13.551 1.00 0.00 C
189
+ ATOM 188 C VAL A 26 -5.489 11.378 13.579 1.00 0.00 C
190
+ ATOM 189 CB VAL A 26 -7.635 10.171 14.109 1.00 0.00 C
191
+ ATOM 190 O VAL A 26 -5.044 11.831 14.636 1.00 0.00 O
192
+ ATOM 191 CG1 VAL A 26 -8.442 11.165 13.276 1.00 0.00 C
193
+ ATOM 192 CG2 VAL A 26 -8.330 8.811 14.146 1.00 0.00 C
194
+ ATOM 193 N LYS A 27 -5.345 12.012 12.399 1.00 0.00 N
195
+ ATOM 194 CA LYS A 27 -4.742 13.339 12.338 1.00 0.00 C
196
+ ATOM 195 C LYS A 27 -5.639 14.382 12.999 1.00 0.00 C
197
+ ATOM 196 CB LYS A 27 -4.460 13.735 10.887 1.00 0.00 C
198
+ ATOM 197 O LYS A 27 -6.853 14.194 13.092 1.00 0.00 O
199
+ ATOM 198 CG LYS A 27 -3.359 12.920 10.226 1.00 0.00 C
200
+ ATOM 199 CD LYS A 27 -3.108 13.377 8.795 1.00 0.00 C
201
+ ATOM 200 CE LYS A 27 -1.956 12.613 8.156 1.00 0.00 C
202
+ ATOM 201 NZ LYS A 27 -1.775 12.979 6.719 1.00 0.00 N
203
+ ATOM 202 N PRO A 28 -4.925 15.506 13.362 1.00 0.00 N
204
+ ATOM 203 CA PRO A 28 -5.758 16.616 13.830 1.00 0.00 C
205
+ ATOM 204 C PRO A 28 -6.640 17.198 12.727 1.00 0.00 C
206
+ ATOM 205 CB PRO A 28 -4.734 17.647 14.312 1.00 0.00 C
207
+ ATOM 206 O PRO A 28 -6.242 17.216 11.560 1.00 0.00 O
208
+ ATOM 207 CG PRO A 28 -3.455 16.884 14.438 1.00 0.00 C
209
+ ATOM 208 CD PRO A 28 -3.488 15.733 13.474 1.00 0.00 C
210
+ ATOM 209 N ASN A 29 -7.858 17.433 12.910 1.00 0.00 N
211
+ ATOM 210 CA ASN A 29 -8.826 18.016 11.987 1.00 0.00 C
212
+ ATOM 211 C ASN A 29 -9.209 17.034 10.884 1.00 0.00 C
213
+ ATOM 212 CB ASN A 29 -8.278 19.310 11.380 1.00 0.00 C
214
+ ATOM 213 O ASN A 29 -9.328 17.418 9.719 1.00 0.00 O
215
+ ATOM 214 CG ASN A 29 -7.899 20.333 12.432 1.00 0.00 C
216
+ ATOM 215 ND2 ASN A 29 -6.734 20.948 12.269 1.00 0.00 N
217
+ ATOM 216 OD1 ASN A 29 -8.647 20.568 13.385 1.00 0.00 O
218
+ ATOM 217 N ALA A 30 -9.285 15.841 11.258 1.00 0.00 N
219
+ ATOM 218 CA ALA A 30 -9.630 14.779 10.316 1.00 0.00 C
220
+ ATOM 219 C ALA A 30 -11.025 14.991 9.737 1.00 0.00 C
221
+ ATOM 220 CB ALA A 30 -9.541 13.415 10.997 1.00 0.00 C
222
+ ATOM 221 O ALA A 30 -11.921 15.489 10.425 1.00 0.00 O
223
+ ATOM 222 N ASN A 31 -11.142 14.683 8.485 1.00 0.00 N
224
+ ATOM 223 CA ASN A 31 -12.419 14.709 7.781 1.00 0.00 C
225
+ ATOM 224 C ASN A 31 -12.953 13.300 7.537 1.00 0.00 C
226
+ ATOM 225 CB ASN A 31 -12.289 15.463 6.457 1.00 0.00 C
227
+ ATOM 226 O ASN A 31 -14.145 13.043 7.718 1.00 0.00 O
228
+ ATOM 227 CG ASN A 31 -13.628 15.732 5.801 1.00 0.00 C
229
+ ATOM 228 ND2 ASN A 31 -13.671 15.637 4.478 1.00 0.00 N
230
+ ATOM 229 OD1 ASN A 31 -14.618 16.022 6.480 1.00 0.00 O
231
+ ATOM 230 N ARG A 32 -12.100 12.416 7.199 1.00 0.00 N
232
+ ATOM 231 CA ARG A 32 -12.577 11.066 6.922 1.00 0.00 C
233
+ ATOM 232 C ARG A 32 -11.437 10.056 6.998 1.00 0.00 C
234
+ ATOM 233 CB ARG A 32 -13.243 11.002 5.546 1.00 0.00 C
235
+ ATOM 234 O ARG A 32 -10.269 10.419 6.850 1.00 0.00 O
236
+ ATOM 235 CG ARG A 32 -12.293 11.273 4.390 1.00 0.00 C
237
+ ATOM 236 CD ARG A 32 -13.018 11.263 3.050 1.00 0.00 C
238
+ ATOM 237 NE ARG A 32 -13.813 12.472 2.858 1.00 0.00 N
239
+ ATOM 238 NH1 ARG A 32 -14.734 11.796 0.851 1.00 0.00 N
240
+ ATOM 239 NH2 ARG A 32 -15.289 13.833 1.743 1.00 0.00 N
241
+ ATOM 240 CZ ARG A 32 -14.611 12.698 1.818 1.00 0.00 C
242
+ ATOM 241 N ILE A 33 -11.740 8.818 7.243 1.00 0.00 N
243
+ ATOM 242 CA ILE A 33 -10.961 7.597 7.074 1.00 0.00 C
244
+ ATOM 243 C ILE A 33 -11.665 6.668 6.087 1.00 0.00 C
245
+ ATOM 244 CB ILE A 33 -10.737 6.877 8.423 1.00 0.00 C
246
+ ATOM 245 O ILE A 33 -12.896 6.603 6.058 1.00 0.00 O
247
+ ATOM 246 CG1 ILE A 33 -10.129 7.840 9.448 1.00 0.00 C
248
+ ATOM 247 CG2 ILE A 33 -9.849 5.644 8.235 1.00 0.00 C
249
+ ATOM 248 CD1 ILE A 33 -10.152 7.318 10.877 1.00 0.00 C
250
+ ATOM 249 N ALA A 34 -10.901 5.940 5.267 1.00 0.00 N
251
+ ATOM 250 CA ALA A 34 -11.536 5.020 4.328 1.00 0.00 C
252
+ ATOM 251 C ALA A 34 -10.748 3.717 4.218 1.00 0.00 C
253
+ ATOM 252 CB ALA A 34 -11.673 5.672 2.954 1.00 0.00 C
254
+ ATOM 253 O ALA A 34 -9.532 3.736 4.011 1.00 0.00 O
255
+ ATOM 254 N LEU A 35 -11.395 2.646 4.394 1.00 0.00 N
256
+ ATOM 255 CA LEU A 35 -10.940 1.298 4.072 1.00 0.00 C
257
+ ATOM 256 C LEU A 35 -11.772 0.699 2.944 1.00 0.00 C
258
+ ATOM 257 CB LEU A 35 -11.012 0.399 5.309 1.00 0.00 C
259
+ ATOM 258 O LEU A 35 -13.001 0.646 3.033 1.00 0.00 O
260
+ ATOM 259 CG LEU A 35 -10.304 0.913 6.563 1.00 0.00 C
261
+ ATOM 260 CD1 LEU A 35 -10.413 -0.108 7.690 1.00 0.00 C
262
+ ATOM 261 CD2 LEU A 35 -8.843 1.230 6.261 1.00 0.00 C
263
+ ATOM 262 N ASP A 36 -11.053 0.253 1.903 1.00 0.00 N
264
+ ATOM 263 CA ASP A 36 -11.722 -0.317 0.737 1.00 0.00 C
265
+ ATOM 264 C ASP A 36 -11.200 -1.720 0.436 1.00 0.00 C
266
+ ATOM 265 CB ASP A 36 -11.535 0.587 -0.484 1.00 0.00 C
267
+ ATOM 266 O ASP A 36 -10.049 -1.886 0.030 1.00 0.00 O
268
+ ATOM 267 CG ASP A 36 -12.342 1.870 -0.400 1.00 0.00 C
269
+ ATOM 268 OD1 ASP A 36 -13.361 1.905 0.323 1.00 0.00 O
270
+ ATOM 269 OD2 ASP A 36 -11.957 2.856 -1.065 1.00 0.00 O
271
+ ATOM 270 N PHE A 37 -12.047 -2.706 0.702 1.00 0.00 N
272
+ ATOM 271 CA PHE A 37 -11.771 -4.051 0.212 1.00 0.00 C
273
+ ATOM 272 C PHE A 37 -12.107 -4.166 -1.270 1.00 0.00 C
274
+ ATOM 273 CB PHE A 37 -12.564 -5.089 1.012 1.00 0.00 C
275
+ ATOM 274 O PHE A 37 -13.275 -4.087 -1.656 1.00 0.00 O
276
+ ATOM 275 CG PHE A 37 -12.075 -5.270 2.424 1.00 0.00 C
277
+ ATOM 276 CD1 PHE A 37 -11.270 -6.350 2.762 1.00 0.00 C
278
+ ATOM 277 CD2 PHE A 37 -12.422 -4.358 3.413 1.00 0.00 C
279
+ ATOM 278 CE1 PHE A 37 -10.815 -6.520 4.068 1.00 0.00 C
280
+ ATOM 279 CE2 PHE A 37 -11.972 -4.522 4.720 1.00 0.00 C
281
+ ATOM 280 CZ PHE A 37 -11.170 -5.604 5.046 1.00 0.00 C
282
+ ATOM 281 N GLN A 38 -11.111 -4.402 -2.070 1.00 0.00 N
283
+ ATOM 282 CA GLN A 38 -11.283 -4.143 -3.495 1.00 0.00 C
284
+ ATOM 283 C GLN A 38 -11.143 -5.427 -4.308 1.00 0.00 C
285
+ ATOM 284 CB GLN A 38 -10.269 -3.104 -3.979 1.00 0.00 C
286
+ ATOM 285 O GLN A 38 -10.267 -6.250 -4.034 1.00 0.00 O
287
+ ATOM 286 CG GLN A 38 -10.475 -1.720 -3.378 1.00 0.00 C
288
+ ATOM 287 CD GLN A 38 -9.468 -0.704 -3.885 1.00 0.00 C
289
+ ATOM 288 NE2 GLN A 38 -9.196 0.316 -3.078 1.00 0.00 N
290
+ ATOM 289 OE1 GLN A 38 -8.937 -0.836 -4.992 1.00 0.00 O
291
+ ATOM 290 N ARG A 39 -11.960 -5.549 -5.216 1.00 0.00 N
292
+ ATOM 291 CA ARG A 39 -11.934 -6.527 -6.298 1.00 0.00 C
293
+ ATOM 292 C ARG A 39 -11.822 -5.839 -7.655 1.00 0.00 C
294
+ ATOM 293 CB ARG A 39 -13.185 -7.407 -6.259 1.00 0.00 C
295
+ ATOM 294 O ARG A 39 -12.818 -5.354 -8.195 1.00 0.00 O
296
+ ATOM 295 CG ARG A 39 -13.200 -8.504 -7.311 1.00 0.00 C
297
+ ATOM 296 CD ARG A 39 -14.574 -9.148 -7.437 1.00 0.00 C
298
+ ATOM 297 NE ARG A 39 -15.512 -8.283 -8.146 1.00 0.00 N
299
+ ATOM 298 NH1 ARG A 39 -17.367 -9.589 -7.710 1.00 0.00 N
300
+ ATOM 299 NH2 ARG A 39 -17.579 -7.658 -8.928 1.00 0.00 N
301
+ ATOM 300 CZ ARG A 39 -16.817 -8.511 -8.259 1.00 0.00 C
302
+ ATOM 301 N GLY A 40 -10.633 -5.885 -8.262 1.00 0.00 N
303
+ ATOM 302 CA GLY A 40 -10.444 -5.031 -9.423 1.00 0.00 C
304
+ ATOM 303 C GLY A 40 -10.863 -3.593 -9.181 1.00 0.00 C
305
+ ATOM 304 O GLY A 40 -10.393 -2.954 -8.239 1.00 0.00 O
306
+ ATOM 305 N ASN A 41 -11.789 -3.108 -9.987 1.00 0.00 N
307
+ ATOM 306 CA ASN A 41 -12.258 -1.730 -9.898 1.00 0.00 C
308
+ ATOM 307 C ASN A 41 -13.436 -1.600 -8.937 1.00 0.00 C
309
+ ATOM 308 CB ASN A 41 -12.641 -1.203 -11.282 1.00 0.00 C
310
+ ATOM 309 O ASN A 41 -13.876 -0.488 -8.636 1.00 0.00 O
311
+ ATOM 310 CG ASN A 41 -11.437 -0.985 -12.178 1.00 0.00 C
312
+ ATOM 311 ND2 ASN A 41 -11.644 -1.089 -13.485 1.00 0.00 N
313
+ ATOM 312 OD1 ASN A 41 -10.330 -0.727 -11.699 1.00 0.00 O
314
+ ATOM 313 N ASP A 42 -13.926 -2.715 -8.498 1.00 0.00 N
315
+ ATOM 314 CA ASP A 42 -15.053 -2.714 -7.570 1.00 0.00 C
316
+ ATOM 315 C ASP A 42 -14.576 -2.569 -6.127 1.00 0.00 C
317
+ ATOM 316 CB ASP A 42 -15.877 -3.995 -7.726 1.00 0.00 C
318
+ ATOM 317 O ASP A 42 -13.419 -2.861 -5.817 1.00 0.00 O
319
+ ATOM 318 CG ASP A 42 -16.589 -4.083 -9.064 1.00 0.00 C
320
+ ATOM 319 OD1 ASP A 42 -16.813 -3.034 -9.706 1.00 0.00 O
321
+ ATOM 320 OD2 ASP A 42 -16.931 -5.211 -9.480 1.00 0.00 O
322
+ ATOM 321 N VAL A 43 -15.400 -2.112 -5.283 1.00 0.00 N
323
+ ATOM 322 CA VAL A 43 -15.205 -2.079 -3.838 1.00 0.00 C
324
+ ATOM 323 C VAL A 43 -16.223 -2.992 -3.158 1.00 0.00 C
325
+ ATOM 324 CB VAL A 43 -15.323 -0.642 -3.281 1.00 0.00 C
326
+ ATOM 325 O VAL A 43 -17.420 -2.700 -3.149 1.00 0.00 O
327
+ ATOM 326 CG1 VAL A 43 -15.126 -0.632 -1.767 1.00 0.00 C
328
+ ATOM 327 CG2 VAL A 43 -14.311 0.278 -3.962 1.00 0.00 C
329
+ ATOM 328 N ALA A 44 -15.724 -4.120 -2.595 1.00 0.00 N
330
+ ATOM 329 CA ALA A 44 -16.592 -5.108 -1.961 1.00 0.00 C
331
+ ATOM 330 C ALA A 44 -17.102 -4.606 -0.614 1.00 0.00 C
332
+ ATOM 331 CB ALA A 44 -15.852 -6.432 -1.786 1.00 0.00 C
333
+ ATOM 332 O ALA A 44 -18.226 -4.917 -0.213 1.00 0.00 O
334
+ ATOM 333 N PHE A 45 -16.316 -3.908 0.073 1.00 0.00 N
335
+ ATOM 334 CA PHE A 45 -16.661 -3.319 1.361 1.00 0.00 C
336
+ ATOM 335 C PHE A 45 -15.939 -1.990 1.560 1.00 0.00 C
337
+ ATOM 336 CB PHE A 45 -16.314 -4.279 2.503 1.00 0.00 C
338
+ ATOM 337 O PHE A 45 -14.708 -1.948 1.614 1.00 0.00 O
339
+ ATOM 338 CG PHE A 45 -16.565 -3.709 3.873 1.00 0.00 C
340
+ ATOM 339 CD1 PHE A 45 -17.576 -2.779 4.080 1.00 0.00 C
341
+ ATOM 340 CD2 PHE A 45 -15.790 -4.105 4.955 1.00 0.00 C
342
+ ATOM 341 CE1 PHE A 45 -17.811 -2.250 5.347 1.00 0.00 C
343
+ ATOM 342 CE2 PHE A 45 -16.018 -3.581 6.224 1.00 0.00 C
344
+ ATOM 343 CZ PHE A 45 -17.028 -2.653 6.418 1.00 0.00 C
345
+ ATOM 344 N HIS A 46 -16.787 -0.996 1.606 1.00 0.00 N
346
+ ATOM 345 CA HIS A 46 -16.338 0.350 1.942 1.00 0.00 C
347
+ ATOM 346 C HIS A 46 -16.678 0.700 3.387 1.00 0.00 C
348
+ ATOM 347 CB HIS A 46 -16.960 1.376 0.993 1.00 0.00 C
349
+ ATOM 348 O HIS A 46 -17.853 0.761 3.755 1.00 0.00 O
350
+ ATOM 349 CG HIS A 46 -16.583 2.789 1.305 1.00 0.00 C
351
+ ATOM 350 CD2 HIS A 46 -17.283 3.787 1.894 1.00 0.00 C
352
+ ATOM 351 ND1 HIS A 46 -15.346 3.314 0.999 1.00 0.00 N
353
+ ATOM 352 CE1 HIS A 46 -15.302 4.577 1.389 1.00 0.00 C
354
+ ATOM 353 NE2 HIS A 46 -16.465 4.888 1.935 1.00 0.00 N
355
+ ATOM 354 N PHE A 47 -15.687 0.914 4.207 1.00 0.00 N
356
+ ATOM 355 CA PHE A 47 -15.790 1.393 5.581 1.00 0.00 C
357
+ ATOM 356 C PHE A 47 -15.258 2.816 5.700 1.00 0.00 C
358
+ ATOM 357 CB PHE A 47 -15.029 0.465 6.533 1.00 0.00 C
359
+ ATOM 358 O PHE A 47 -14.054 3.046 5.564 1.00 0.00 O
360
+ ATOM 359 CG PHE A 47 -15.037 0.928 7.965 1.00 0.00 C
361
+ ATOM 360 CD1 PHE A 47 -16.129 0.675 8.786 1.00 0.00 C
362
+ ATOM 361 CD2 PHE A 47 -13.949 1.614 8.490 1.00 0.00 C
363
+ ATOM 362 CE1 PHE A 47 -16.138 1.101 10.112 1.00 0.00 C
364
+ ATOM 363 CE2 PHE A 47 -13.952 2.043 9.815 1.00 0.00 C
365
+ ATOM 364 CZ PHE A 47 -15.046 1.787 10.624 1.00 0.00 C
366
+ ATOM 365 N ASN A 48 -16.153 3.726 5.973 1.00 0.00 N
367
+ ATOM 366 CA ASN A 48 -15.811 5.134 5.797 1.00 0.00 C
368
+ ATOM 367 C ASN A 48 -16.269 5.975 6.986 1.00 0.00 C
369
+ ATOM 368 CB ASN A 48 -16.415 5.675 4.500 1.00 0.00 C
370
+ ATOM 369 O ASN A 48 -17.332 6.595 6.940 1.00 0.00 O
371
+ ATOM 370 CG ASN A 48 -15.966 7.089 4.191 1.00 0.00 C
372
+ ATOM 371 ND2 ASN A 48 -14.771 7.445 4.650 1.00 0.00 N
373
+ ATOM 372 OD1 ASN A 48 -16.685 7.856 3.545 1.00 0.00 O
374
+ ATOM 373 N PRO A 49 -15.438 6.077 8.104 1.00 0.00 N
375
+ ATOM 374 CA PRO A 49 -15.702 7.056 9.161 1.00 0.00 C
376
+ ATOM 375 C PRO A 49 -15.594 8.498 8.671 1.00 0.00 C
377
+ ATOM 376 CB PRO A 49 -14.622 6.751 10.203 1.00 0.00 C
378
+ ATOM 377 O PRO A 49 -14.560 8.892 8.125 1.00 0.00 O
379
+ ATOM 378 CG PRO A 49 -14.170 5.361 9.889 1.00 0.00 C
380
+ ATOM 379 CD PRO A 49 -14.222 5.168 8.400 1.00 0.00 C
381
+ ATOM 380 N ARG A 50 -16.633 9.185 8.818 1.00 0.00 N
382
+ ATOM 381 CA ARG A 50 -16.736 10.591 8.445 1.00 0.00 C
383
+ ATOM 382 C ARG A 50 -16.917 11.472 9.677 1.00 0.00 C
384
+ ATOM 383 CB ARG A 50 -17.898 10.807 7.472 1.00 0.00 C
385
+ ATOM 384 O ARG A 50 -17.900 11.334 10.407 1.00 0.00 O
386
+ ATOM 385 CG ARG A 50 -17.812 9.960 6.213 1.00 0.00 C
387
+ ATOM 386 CD ARG A 50 -19.014 10.175 5.304 1.00 0.00 C
388
+ ATOM 387 NE ARG A 50 -18.971 9.300 4.137 1.00 0.00 N
389
+ ATOM 388 NH1 ARG A 50 -21.084 9.855 3.386 1.00 0.00 N
390
+ ATOM 389 NH2 ARG A 50 -19.811 8.343 2.225 1.00 0.00 N
391
+ ATOM 390 CZ ARG A 50 -19.955 9.168 3.252 1.00 0.00 C
392
+ ATOM 391 N PHE A 51 -16.038 12.408 9.829 1.00 0.00 N
393
+ ATOM 392 CA PHE A 51 -15.979 13.194 11.055 1.00 0.00 C
394
+ ATOM 393 C PHE A 51 -16.906 14.401 10.970 1.00 0.00 C
395
+ ATOM 394 CB PHE A 51 -14.544 13.653 11.332 1.00 0.00 C
396
+ ATOM 395 O PHE A 51 -17.286 14.971 11.994 1.00 0.00 O
397
+ ATOM 396 CG PHE A 51 -13.614 12.537 11.725 1.00 0.00 C
398
+ ATOM 397 CD1 PHE A 51 -13.156 12.424 13.032 1.00 0.00 C
399
+ ATOM 398 CD2 PHE A 51 -13.198 11.601 10.787 1.00 0.00 C
400
+ ATOM 399 CE1 PHE A 51 -12.296 11.392 13.399 1.00 0.00 C
401
+ ATOM 400 CE2 PHE A 51 -12.339 10.566 11.147 1.00 0.00 C
402
+ ATOM 401 CZ PHE A 51 -11.888 10.465 12.453 1.00 0.00 C
403
+ ATOM 402 N ASN A 52 -17.261 14.780 9.777 1.00 0.00 N
404
+ ATOM 403 CA ASN A 52 -18.129 15.939 9.606 1.00 0.00 C
405
+ ATOM 404 C ASN A 52 -19.014 15.799 8.371 1.00 0.00 C
406
+ ATOM 405 CB ASN A 52 -17.301 17.224 9.522 1.00 0.00 C
407
+ ATOM 406 O ASN A 52 -18.689 16.324 7.304 1.00 0.00 O
408
+ ATOM 407 CG ASN A 52 -18.150 18.475 9.628 1.00 0.00 C
409
+ ATOM 408 ND2 ASN A 52 -17.543 19.627 9.373 1.00 0.00 N
410
+ ATOM 409 OD1 ASN A 52 -19.343 18.405 9.937 1.00 0.00 O
411
+ ATOM 410 N GLU A 53 -19.987 14.885 8.456 1.00 0.00 N
412
+ ATOM 411 CA GLU A 53 -21.026 14.838 7.433 1.00 0.00 C
413
+ ATOM 412 C GLU A 53 -22.276 15.589 7.880 1.00 0.00 C
414
+ ATOM 413 CB GLU A 53 -21.378 13.388 7.090 1.00 0.00 C
415
+ ATOM 414 O GLU A 53 -23.011 15.120 8.752 1.00 0.00 O
416
+ ATOM 415 CG GLU A 53 -22.417 13.251 5.986 1.00 0.00 C
417
+ ATOM 416 CD GLU A 53 -22.753 11.806 5.653 1.00 0.00 C
418
+ ATOM 417 OE1 GLU A 53 -22.204 11.267 4.666 1.00 0.00 O
419
+ ATOM 418 OE2 GLU A 53 -23.573 11.208 6.386 1.00 0.00 O
420
+ ATOM 419 N ASN A 54 -22.639 16.633 7.228 1.00 0.00 N
421
+ ATOM 420 CA ASN A 54 -23.770 17.455 7.642 1.00 0.00 C
422
+ ATOM 421 C ASN A 54 -23.760 17.708 9.147 1.00 0.00 C
423
+ ATOM 422 CB ASN A 54 -25.089 16.804 7.221 1.00 0.00 C
424
+ ATOM 423 O ASN A 54 -24.775 17.519 9.819 1.00 0.00 O
425
+ ATOM 424 CG ASN A 54 -25.210 16.646 5.719 1.00 0.00 C
426
+ ATOM 425 ND2 ASN A 54 -25.794 15.535 5.285 1.00 0.00 N
427
+ ATOM 426 OD1 ASN A 54 -24.780 17.514 4.954 1.00 0.00 O
428
+ ATOM 427 N ASN A 55 -22.672 17.969 9.741 1.00 0.00 N
429
+ ATOM 428 CA ASN A 55 -22.441 18.342 11.133 1.00 0.00 C
430
+ ATOM 429 C ASN A 55 -22.619 17.149 12.068 1.00 0.00 C
431
+ ATOM 430 CB ASN A 55 -23.373 19.483 11.545 1.00 0.00 C
432
+ ATOM 431 O ASN A 55 -22.980 17.318 13.234 1.00 0.00 O
433
+ ATOM 432 CG ASN A 55 -23.066 20.778 10.820 1.00 0.00 C
434
+ ATOM 433 ND2 ASN A 55 -24.087 21.602 10.617 1.00 0.00 N
435
+ ATOM 434 OD1 ASN A 55 -21.919 21.037 10.444 1.00 0.00 O
436
+ ATOM 435 N ARG A 56 -22.454 16.018 11.577 1.00 0.00 N
437
+ ATOM 436 CA ARG A 56 -22.526 14.820 12.409 1.00 0.00 C
438
+ ATOM 437 C ARG A 56 -21.420 13.836 12.047 1.00 0.00 C
439
+ ATOM 438 CB ARG A 56 -23.893 14.148 12.267 1.00 0.00 C
440
+ ATOM 439 O ARG A 56 -20.948 13.815 10.907 1.00 0.00 O
441
+ ATOM 440 CG ARG A 56 -24.182 13.629 10.867 1.00 0.00 C
442
+ ATOM 441 CD ARG A 56 -25.567 13.005 10.772 1.00 0.00 C
443
+ ATOM 442 NE ARG A 56 -25.830 12.478 9.436 1.00 0.00 N
444
+ ATOM 443 NH1 ARG A 56 -27.774 11.378 10.027 1.00 0.00 N
445
+ ATOM 444 NH2 ARG A 56 -27.015 11.293 7.866 1.00 0.00 N
446
+ ATOM 445 CZ ARG A 56 -26.872 11.717 9.113 1.00 0.00 C
447
+ ATOM 446 N ARG A 57 -20.999 13.106 13.006 1.00 0.00 N
448
+ ATOM 447 CA ARG A 57 -20.070 12.000 12.797 1.00 0.00 C
449
+ ATOM 448 C ARG A 57 -20.818 10.707 12.491 1.00 0.00 C
450
+ ATOM 449 CB ARG A 57 -19.176 11.810 14.024 1.00 0.00 C
451
+ ATOM 450 O ARG A 57 -21.779 10.361 13.181 1.00 0.00 O
452
+ ATOM 451 CG ARG A 57 -18.339 13.031 14.372 1.00 0.00 C
453
+ ATOM 452 CD ARG A 57 -17.396 12.757 15.535 1.00 0.00 C
454
+ ATOM 453 NE ARG A 57 -18.126 12.499 16.772 1.00 0.00 N
455
+ ATOM 454 NH1 ARG A 57 -16.236 12.181 18.064 1.00 0.00 N
456
+ ATOM 455 NH2 ARG A 57 -18.318 12.013 19.009 1.00 0.00 N
457
+ ATOM 456 CZ ARG A 57 -17.559 12.232 17.945 1.00 0.00 C
458
+ ATOM 457 N VAL A 58 -20.353 9.989 11.516 1.00 0.00 N
459
+ ATOM 458 CA VAL A 58 -21.034 8.773 11.086 1.00 0.00 C
460
+ ATOM 459 C VAL A 58 -20.047 7.853 10.371 1.00 0.00 C
461
+ ATOM 460 CB VAL A 58 -22.232 9.090 10.162 1.00 0.00 C
462
+ ATOM 461 O VAL A 58 -19.046 8.315 9.819 1.00 0.00 O
463
+ ATOM 462 CG1 VAL A 58 -21.759 9.772 8.879 1.00 0.00 C
464
+ ATOM 463 CG2 VAL A 58 -23.006 7.813 9.837 1.00 0.00 C
465
+ ATOM 464 N ILE A 59 -20.323 6.669 10.442 1.00 0.00 N
466
+ ATOM 465 CA ILE A 59 -19.588 5.713 9.621 1.00 0.00 C
467
+ ATOM 466 C ILE A 59 -20.488 5.198 8.499 1.00 0.00 C
468
+ ATOM 467 CB ILE A 59 -19.055 4.535 10.465 1.00 0.00 C
469
+ ATOM 468 O ILE A 59 -21.576 4.678 8.758 1.00 0.00 O
470
+ ATOM 469 CG1 ILE A 59 -18.102 5.044 11.552 1.00 0.00 C
471
+ ATOM 470 CG2 ILE A 59 -18.363 3.500 9.572 1.00 0.00 C
472
+ ATOM 471 CD1 ILE A 59 -17.747 4.001 12.603 1.00 0.00 C
473
+ ATOM 472 N VAL A 60 -20.000 5.344 7.230 1.00 0.00 N
474
+ ATOM 473 CA VAL A 60 -20.756 4.905 6.063 1.00 0.00 C
475
+ ATOM 474 C VAL A 60 -20.121 3.645 5.478 1.00 0.00 C
476
+ ATOM 475 CB VAL A 60 -20.835 6.011 4.987 1.00 0.00 C
477
+ ATOM 476 O VAL A 60 -18.920 3.622 5.198 1.00 0.00 O
478
+ ATOM 477 CG1 VAL A 60 -21.606 5.520 3.763 1.00 0.00 C
479
+ ATOM 478 CG2 VAL A 60 -21.482 7.269 5.562 1.00 0.00 C
480
+ ATOM 479 N CYS A 61 -20.951 2.634 5.265 1.00 0.00 N
481
+ ATOM 480 CA CYS A 61 -20.533 1.402 4.607 1.00 0.00 C
482
+ ATOM 481 C CYS A 61 -21.312 1.182 3.315 1.00 0.00 C
483
+ ATOM 482 CB CYS A 61 -20.724 0.205 5.538 1.00 0.00 C
484
+ ATOM 483 O CYS A 61 -22.509 1.465 3.252 1.00 0.00 O
485
+ ATOM 484 SG CYS A 61 -19.799 0.332 7.085 1.00 0.00 S
486
+ ATOM 485 N ASN A 62 -20.637 0.739 2.360 1.00 0.00 N
487
+ ATOM 486 CA ASN A 62 -21.269 0.525 1.062 1.00 0.00 C
488
+ ATOM 487 C ASN A 62 -20.462 -0.439 0.197 1.00 0.00 C
489
+ ATOM 488 CB ASN A 62 -21.463 1.858 0.334 1.00 0.00 C
490
+ ATOM 489 O ASN A 62 -19.398 -0.905 0.607 1.00 0.00 O
491
+ ATOM 490 CG ASN A 62 -22.678 1.857 -0.571 1.00 0.00 C
492
+ ATOM 491 ND2 ASN A 62 -23.261 3.032 -0.783 1.00 0.00 N
493
+ ATOM 492 OD1 ASN A 62 -23.092 0.810 -1.075 1.00 0.00 O
494
+ ATOM 493 N THR A 63 -20.994 -0.770 -0.901 1.00 0.00 N
495
+ ATOM 494 CA THR A 63 -20.377 -1.535 -1.979 1.00 0.00 C
496
+ ATOM 495 C THR A 63 -20.468 -0.779 -3.301 1.00 0.00 C
497
+ ATOM 496 CB THR A 63 -21.037 -2.919 -2.129 1.00 0.00 C
498
+ ATOM 497 O THR A 63 -21.502 -0.182 -3.610 1.00 0.00 O
499
+ ATOM 498 CG2 THR A 63 -20.422 -3.699 -3.286 1.00 0.00 C
500
+ ATOM 499 OG1 THR A 63 -20.857 -3.661 -0.917 1.00 0.00 O
501
+ ATOM 500 N LYS A 64 -19.416 -0.829 -3.999 1.00 0.00 N
502
+ ATOM 501 CA LYS A 64 -19.381 -0.196 -5.316 1.00 0.00 C
503
+ ATOM 502 C LYS A 64 -19.137 -1.227 -6.414 1.00 0.00 C
504
+ ATOM 503 CB LYS A 64 -18.302 0.886 -5.362 1.00 0.00 C
505
+ ATOM 504 O LYS A 64 -18.066 -1.836 -6.473 1.00 0.00 O
506
+ ATOM 505 CG LYS A 64 -18.353 1.757 -6.609 1.00 0.00 C
507
+ ATOM 506 CD LYS A 64 -17.261 2.819 -6.594 1.00 0.00 C
508
+ ATOM 507 CE LYS A 64 -17.256 3.635 -7.879 1.00 0.00 C
509
+ ATOM 508 NZ LYS A 64 -16.034 4.487 -7.990 1.00 0.00 N
510
+ ATOM 509 N LEU A 65 -20.051 -1.320 -7.282 1.00 0.00 N
511
+ ATOM 510 CA LEU A 65 -19.954 -2.200 -8.441 1.00 0.00 C
512
+ ATOM 511 C LEU A 65 -20.133 -1.414 -9.737 1.00 0.00 C
513
+ ATOM 512 CB LEU A 65 -21.001 -3.315 -8.358 1.00 0.00 C
514
+ ATOM 513 O LEU A 65 -21.050 -0.598 -9.851 1.00 0.00 O
515
+ ATOM 514 CG LEU A 65 -20.911 -4.239 -7.144 1.00 0.00 C
516
+ ATOM 515 CD1 LEU A 65 -22.108 -5.184 -7.107 1.00 0.00 C
517
+ ATOM 516 CD2 LEU A 65 -19.604 -5.025 -7.166 1.00 0.00 C
518
+ ATOM 517 N ASP A 66 -19.252 -1.698 -10.666 1.00 0.00 N
519
+ ATOM 518 CA ASP A 66 -19.324 -1.046 -11.970 1.00 0.00 C
520
+ ATOM 519 C ASP A 66 -19.481 0.466 -11.821 1.00 0.00 C
521
+ ATOM 520 CB ASP A 66 -20.482 -1.616 -12.792 1.00 0.00 C
522
+ ATOM 521 O ASP A 66 -20.366 1.067 -12.434 1.00 0.00 O
523
+ ATOM 522 CG ASP A 66 -20.290 -3.080 -13.151 1.00 0.00 C
524
+ ATOM 523 OD1 ASP A 66 -19.161 -3.477 -13.511 1.00 0.00 O
525
+ ATOM 524 OD2 ASP A 66 -21.278 -3.842 -13.076 1.00 0.00 O
526
+ ATOM 525 N ASN A 67 -18.813 1.103 -10.954 1.00 0.00 N
527
+ ATOM 526 CA ASN A 67 -18.703 2.535 -10.699 1.00 0.00 C
528
+ ATOM 527 C ASN A 67 -19.993 3.101 -10.114 1.00 0.00 C
529
+ ATOM 528 CB ASN A 67 -18.328 3.283 -11.980 1.00 0.00 C
530
+ ATOM 529 O ASN A 67 -20.244 4.304 -10.200 1.00 0.00 O
531
+ ATOM 530 CG ASN A 67 -16.889 3.049 -12.393 1.00 0.00 C
532
+ ATOM 531 ND2 ASN A 67 -16.626 3.122 -13.693 1.00 0.00 N
533
+ ATOM 532 OD1 ASN A 67 -16.020 2.805 -11.552 1.00 0.00 O
534
+ ATOM 533 N ASN A 68 -20.764 2.196 -9.605 1.00 0.00 N
535
+ ATOM 534 CA ASN A 68 -21.996 2.640 -8.963 1.00 0.00 C
536
+ ATOM 535 C ASN A 68 -22.071 2.176 -7.511 1.00 0.00 C
537
+ ATOM 536 CB ASN A 68 -23.216 2.145 -9.743 1.00 0.00 C
538
+ ATOM 537 O ASN A 68 -21.979 0.979 -7.232 1.00 0.00 O
539
+ ATOM 538 CG ASN A 68 -23.316 2.760 -11.124 1.00 0.00 C
540
+ ATOM 539 ND2 ASN A 68 -23.397 1.915 -12.146 1.00 0.00 N
541
+ ATOM 540 OD1 ASN A 68 -23.318 3.985 -11.274 1.00 0.00 O
542
+ ATOM 541 N TRP A 69 -22.235 3.062 -6.641 1.00 0.00 N
543
+ ATOM 542 CA TRP A 69 -22.456 2.751 -5.233 1.00 0.00 C
544
+ ATOM 543 C TRP A 69 -23.832 2.128 -5.022 1.00 0.00 C
545
+ ATOM 544 CB TRP A 69 -22.314 4.010 -4.374 1.00 0.00 C
546
+ ATOM 545 O TRP A 69 -24.790 2.474 -5.718 1.00 0.00 O
547
+ ATOM 546 CG TRP A 69 -20.906 4.510 -4.252 1.00 0.00 C
548
+ ATOM 547 CD1 TRP A 69 -20.387 5.652 -4.795 1.00 0.00 C
549
+ ATOM 548 CD2 TRP A 69 -19.834 3.877 -3.546 1.00 0.00 C
550
+ ATOM 549 CE2 TRP A 69 -18.692 4.693 -3.702 1.00 0.00 C
551
+ ATOM 550 CE3 TRP A 69 -19.728 2.699 -2.795 1.00 0.00 C
552
+ ATOM 551 NE1 TRP A 69 -19.055 5.769 -4.468 1.00 0.00 N
553
+ ATOM 552 CH2 TRP A 69 -17.382 3.210 -2.404 1.00 0.00 C
554
+ ATOM 553 CZ2 TRP A 69 -17.458 4.368 -3.134 1.00 0.00 C
555
+ ATOM 554 CZ3 TRP A 69 -18.500 2.378 -2.230 1.00 0.00 C
556
+ ATOM 555 N GLY A 70 -23.868 1.255 -4.157 1.00 0.00 N
557
+ ATOM 556 CA GLY A 70 -25.128 0.639 -3.770 1.00 0.00 C
558
+ ATOM 557 C GLY A 70 -25.801 1.339 -2.605 1.00 0.00 C
559
+ ATOM 558 O GLY A 70 -25.602 2.538 -2.396 1.00 0.00 O
560
+ ATOM 559 N ARG A 71 -26.634 0.555 -1.893 1.00 0.00 N
561
+ ATOM 560 CA ARG A 71 -27.321 1.092 -0.723 1.00 0.00 C
562
+ ATOM 561 C ARG A 71 -26.355 1.274 0.443 1.00 0.00 C
563
+ ATOM 562 CB ARG A 71 -28.475 0.176 -0.309 1.00 0.00 C
564
+ ATOM 563 O ARG A 71 -25.683 0.326 0.854 1.00 0.00 O
565
+ ATOM 564 CG ARG A 71 -29.300 0.710 0.851 1.00 0.00 C
566
+ ATOM 565 CD ARG A 71 -30.428 -0.240 1.225 1.00 0.00 C
567
+ ATOM 566 NE ARG A 71 -31.095 0.173 2.456 1.00 0.00 N
568
+ ATOM 567 NH1 ARG A 71 -32.392 -1.730 2.637 1.00 0.00 N
569
+ ATOM 568 NH2 ARG A 71 -32.557 -0.071 4.211 1.00 0.00 N
570
+ ATOM 569 CZ ARG A 71 -32.013 -0.544 3.098 1.00 0.00 C
571
+ ATOM 570 N GLU A 72 -26.375 2.428 1.042 1.00 0.00 N
572
+ ATOM 571 CA GLU A 72 -25.511 2.739 2.176 1.00 0.00 C
573
+ ATOM 572 C GLU A 72 -26.022 2.081 3.456 1.00 0.00 C
574
+ ATOM 573 CB GLU A 72 -25.402 4.253 2.371 1.00 0.00 C
575
+ ATOM 574 O GLU A 72 -27.232 1.974 3.664 1.00 0.00 O
576
+ ATOM 575 CG GLU A 72 -24.675 4.967 1.241 1.00 0.00 C
577
+ ATOM 576 CD GLU A 72 -24.478 6.453 1.498 1.00 0.00 C
578
+ ATOM 577 OE1 GLU A 72 -25.151 7.007 2.396 1.00 0.00 O
579
+ ATOM 578 OE2 GLU A 72 -23.644 7.066 0.794 1.00 0.00 O
580
+ ATOM 579 N GLU A 73 -25.179 1.626 4.235 1.00 0.00 N
581
+ ATOM 580 CA GLU A 73 -25.420 1.301 5.637 1.00 0.00 C
582
+ ATOM 581 C GLU A 73 -24.666 2.252 6.561 1.00 0.00 C
583
+ ATOM 582 CB GLU A 73 -25.019 -0.147 5.930 1.00 0.00 C
584
+ ATOM 583 O GLU A 73 -23.455 2.431 6.422 1.00 0.00 O
585
+ ATOM 584 CG GLU A 73 -25.821 -1.178 5.149 1.00 0.00 C
586
+ ATOM 585 CD GLU A 73 -25.466 -2.612 5.508 1.00 0.00 C
587
+ ATOM 586 OE1 GLU A 73 -24.949 -2.848 6.624 1.00 0.00 O
588
+ ATOM 587 OE2 GLU A 73 -25.706 -3.507 4.667 1.00 0.00 O
589
+ ATOM 588 N ARG A 74 -25.392 2.803 7.526 1.00 0.00 N
590
+ ATOM 589 CA ARG A 74 -24.801 3.848 8.356 1.00 0.00 C
591
+ ATOM 590 C ARG A 74 -24.771 3.431 9.824 1.00 0.00 C
592
+ ATOM 591 CB ARG A 74 -25.573 5.160 8.201 1.00 0.00 C
593
+ ATOM 592 O ARG A 74 -25.749 2.887 10.340 1.00 0.00 O
594
+ ATOM 593 CG ARG A 74 -25.521 5.742 6.797 1.00 0.00 C
595
+ ATOM 594 CD ARG A 74 -26.351 7.013 6.683 1.00 0.00 C
596
+ ATOM 595 NE ARG A 74 -26.227 7.622 5.362 1.00 0.00 N
597
+ ATOM 596 NH1 ARG A 74 -25.061 9.475 6.097 1.00 0.00 N
598
+ ATOM 597 NH2 ARG A 74 -25.563 9.238 3.873 1.00 0.00 N
599
+ ATOM 598 CZ ARG A 74 -25.617 8.777 5.113 1.00 0.00 C
600
+ ATOM 599 N GLN A 75 -23.695 3.691 10.496 1.00 0.00 N
601
+ ATOM 600 CA GLN A 75 -23.436 3.396 11.901 1.00 0.00 C
602
+ ATOM 601 C GLN A 75 -23.184 4.675 12.695 1.00 0.00 C
603
+ ATOM 602 CB GLN A 75 -22.244 2.449 12.040 1.00 0.00 C
604
+ ATOM 603 O GLN A 75 -22.282 5.448 12.365 1.00 0.00 O
605
+ ATOM 604 CG GLN A 75 -21.769 2.263 13.475 1.00 0.00 C
606
+ ATOM 605 CD GLN A 75 -22.819 1.621 14.362 1.00 0.00 C
607
+ ATOM 606 NE2 GLN A 75 -22.573 0.380 14.769 1.00 0.00 N
608
+ ATOM 607 OE1 GLN A 75 -23.842 2.235 14.680 1.00 0.00 O
609
+ ATOM 608 N SER A 76 -24.010 4.827 13.725 1.00 0.00 N
610
+ ATOM 609 CA SER A 76 -23.965 6.092 14.451 1.00 0.00 C
611
+ ATOM 610 C SER A 76 -22.901 6.066 15.542 1.00 0.00 C
612
+ ATOM 611 CB SER A 76 -25.330 6.405 15.066 1.00 0.00 C
613
+ ATOM 612 O SER A 76 -22.418 7.115 15.973 1.00 0.00 O
614
+ ATOM 613 OG SER A 76 -25.758 5.347 15.906 1.00 0.00 O
615
+ ATOM 614 N VAL A 77 -22.539 4.849 16.105 1.00 0.00 N
616
+ ATOM 615 CA VAL A 77 -21.435 4.766 17.056 1.00 0.00 C
617
+ ATOM 616 C VAL A 77 -20.122 5.110 16.356 1.00 0.00 C
618
+ ATOM 617 CB VAL A 77 -21.344 3.364 17.699 1.00 0.00 C
619
+ ATOM 618 O VAL A 77 -19.763 4.486 15.354 1.00 0.00 O
620
+ ATOM 619 CG1 VAL A 77 -20.154 3.284 18.654 1.00 0.00 C
621
+ ATOM 620 CG2 VAL A 77 -22.643 3.028 18.430 1.00 0.00 C
622
+ ATOM 621 N PHE A 78 -19.402 6.020 16.850 1.00 0.00 N
623
+ ATOM 622 CA PHE A 78 -18.233 6.585 16.184 1.00 0.00 C
624
+ ATOM 623 C PHE A 78 -17.024 6.574 17.112 1.00 0.00 C
625
+ ATOM 624 CB PHE A 78 -18.520 8.014 15.712 1.00 0.00 C
626
+ ATOM 625 O PHE A 78 -16.778 7.545 17.830 1.00 0.00 O
627
+ ATOM 626 CG PHE A 78 -17.557 8.513 14.669 1.00 0.00 C
628
+ ATOM 627 CD1 PHE A 78 -17.806 8.306 13.318 1.00 0.00 C
629
+ ATOM 628 CD2 PHE A 78 -16.403 9.190 15.040 1.00 0.00 C
630
+ ATOM 629 CE1 PHE A 78 -16.917 8.767 12.350 1.00 0.00 C
631
+ ATOM 630 CE2 PHE A 78 -15.510 9.654 14.078 1.00 0.00 C
632
+ ATOM 631 CZ PHE A 78 -15.768 9.440 12.734 1.00 0.00 C
633
+ ATOM 632 N PRO A 79 -16.218 5.589 17.112 1.00 0.00 N
634
+ ATOM 633 CA PRO A 79 -15.138 5.398 18.083 1.00 0.00 C
635
+ ATOM 634 C PRO A 79 -13.815 6.006 17.624 1.00 0.00 C
636
+ ATOM 635 CB PRO A 79 -15.030 3.875 18.195 1.00 0.00 C
637
+ ATOM 636 O PRO A 79 -12.746 5.494 17.962 1.00 0.00 O
638
+ ATOM 637 CG PRO A 79 -15.382 3.367 16.833 1.00 0.00 C
639
+ ATOM 638 CD PRO A 79 -16.453 4.248 16.257 1.00 0.00 C
640
+ ATOM 639 N PHE A 80 -13.791 7.010 16.794 1.00 0.00 N
641
+ ATOM 640 CA PHE A 80 -12.590 7.669 16.295 1.00 0.00 C
642
+ ATOM 641 C PHE A 80 -12.491 9.093 16.831 1.00 0.00 C
643
+ ATOM 642 CB PHE A 80 -12.580 7.683 14.763 1.00 0.00 C
644
+ ATOM 643 O PHE A 80 -13.469 9.841 16.802 1.00 0.00 O
645
+ ATOM 644 CG PHE A 80 -12.644 6.314 14.143 1.00 0.00 C
646
+ ATOM 645 CD1 PHE A 80 -11.490 5.562 13.961 1.00 0.00 C
647
+ ATOM 646 CD2 PHE A 80 -13.860 5.778 13.741 1.00 0.00 C
648
+ ATOM 647 CE1 PHE A 80 -11.546 4.294 13.387 1.00 0.00 C
649
+ ATOM 648 CE2 PHE A 80 -13.925 4.511 13.167 1.00 0.00 C
650
+ ATOM 649 CZ PHE A 80 -12.767 3.771 12.989 1.00 0.00 C
651
+ ATOM 650 N GLU A 81 -11.330 9.483 17.320 1.00 0.00 N
652
+ ATOM 651 CA GLU A 81 -11.070 10.821 17.840 1.00 0.00 C
653
+ ATOM 652 C GLU A 81 -9.818 11.425 17.211 1.00 0.00 C
654
+ ATOM 653 CB GLU A 81 -10.930 10.788 19.364 1.00 0.00 C
655
+ ATOM 654 O GLU A 81 -8.766 10.783 17.172 1.00 0.00 O
656
+ ATOM 655 CG GLU A 81 -12.217 10.430 20.092 1.00 0.00 C
657
+ ATOM 656 CD GLU A 81 -12.059 10.379 21.603 1.00 0.00 C
658
+ ATOM 657 OE1 GLU A 81 -11.213 11.124 22.149 1.00 0.00 O
659
+ ATOM 658 OE2 GLU A 81 -12.783 9.588 22.246 1.00 0.00 O
660
+ ATOM 659 N SER A 82 -9.980 12.618 16.833 1.00 0.00 N
661
+ ATOM 660 CA SER A 82 -8.856 13.328 16.230 1.00 0.00 C
662
+ ATOM 661 C SER A 82 -7.654 13.356 17.167 1.00 0.00 C
663
+ ATOM 662 CB SER A 82 -9.261 14.756 15.862 1.00 0.00 C
664
+ ATOM 663 O SER A 82 -7.799 13.615 18.364 1.00 0.00 O
665
+ ATOM 664 OG SER A 82 -10.203 14.755 14.804 1.00 0.00 O
666
+ ATOM 665 N GLY A 83 -6.533 13.068 16.662 1.00 0.00 N
667
+ ATOM 666 CA GLY A 83 -5.287 13.107 17.412 1.00 0.00 C
668
+ ATOM 667 C GLY A 83 -5.053 11.864 18.248 1.00 0.00 C
669
+ ATOM 668 O GLY A 83 -4.043 11.760 18.946 1.00 0.00 O
670
+ ATOM 669 N LYS A 84 -5.952 10.897 18.241 1.00 0.00 N
671
+ ATOM 670 CA LYS A 84 -5.860 9.722 19.102 1.00 0.00 C
672
+ ATOM 671 C LYS A 84 -5.588 8.462 18.285 1.00 0.00 C
673
+ ATOM 672 CB LYS A 84 -7.142 9.551 19.918 1.00 0.00 C
674
+ ATOM 673 O LYS A 84 -5.977 8.376 17.119 1.00 0.00 O
675
+ ATOM 674 CG LYS A 84 -7.465 10.735 20.819 1.00 0.00 C
676
+ ATOM 675 CD LYS A 84 -6.426 10.898 21.922 1.00 0.00 C
677
+ ATOM 676 CE LYS A 84 -6.774 12.052 22.851 1.00 0.00 C
678
+ ATOM 677 NZ LYS A 84 -5.777 12.194 23.955 1.00 0.00 N
679
+ ATOM 678 N PRO A 85 -4.885 7.501 18.909 1.00 0.00 N
680
+ ATOM 679 CA PRO A 85 -4.657 6.229 18.221 1.00 0.00 C
681
+ ATOM 680 C PRO A 85 -5.932 5.403 18.068 1.00 0.00 C
682
+ ATOM 681 CB PRO A 85 -3.649 5.514 19.125 1.00 0.00 C
683
+ ATOM 682 O PRO A 85 -6.895 5.606 18.811 1.00 0.00 O
684
+ ATOM 683 CG PRO A 85 -3.902 6.067 20.490 1.00 0.00 C
685
+ ATOM 684 CD PRO A 85 -4.288 7.512 20.357 1.00 0.00 C
686
+ ATOM 685 N PHE A 86 -5.972 4.569 17.157 1.00 0.00 N
687
+ ATOM 686 CA PHE A 86 -7.045 3.598 16.969 1.00 0.00 C
688
+ ATOM 687 C PHE A 86 -6.483 2.241 16.568 1.00 0.00 C
689
+ ATOM 688 CB PHE A 86 -8.036 4.090 15.909 1.00 0.00 C
690
+ ATOM 689 O PHE A 86 -5.353 2.149 16.080 1.00 0.00 O
691
+ ATOM 690 CG PHE A 86 -7.457 4.157 14.521 1.00 0.00 C
692
+ ATOM 691 CD1 PHE A 86 -6.979 5.357 14.009 1.00 0.00 C
693
+ ATOM 692 CD2 PHE A 86 -7.391 3.018 13.728 1.00 0.00 C
694
+ ATOM 693 CE1 PHE A 86 -6.444 5.422 12.725 1.00 0.00 C
695
+ ATOM 694 CE2 PHE A 86 -6.856 3.075 12.445 1.00 0.00 C
696
+ ATOM 695 CZ PHE A 86 -6.384 4.278 11.944 1.00 0.00 C
697
+ ATOM 696 N LYS A 87 -7.206 1.204 16.810 1.00 0.00 N
698
+ ATOM 697 CA LYS A 87 -7.037 -0.159 16.317 1.00 0.00 C
699
+ ATOM 698 C LYS A 87 -8.308 -0.659 15.634 1.00 0.00 C
700
+ ATOM 699 CB LYS A 87 -6.651 -1.100 17.459 1.00 0.00 C
701
+ ATOM 700 O LYS A 87 -9.349 -0.800 16.279 1.00 0.00 O
702
+ ATOM 701 CG LYS A 87 -6.444 -2.545 17.028 1.00 0.00 C
703
+ ATOM 702 CD LYS A 87 -5.908 -3.398 18.170 1.00 0.00 C
704
+ ATOM 703 CE LYS A 87 -6.975 -3.649 19.229 1.00 0.00 C
705
+ ATOM 704 NZ LYS A 87 -6.545 -4.689 20.211 1.00 0.00 N
706
+ ATOM 705 N ILE A 88 -8.241 -0.846 14.339 1.00 0.00 N
707
+ ATOM 706 CA ILE A 88 -9.347 -1.439 13.594 1.00 0.00 C
708
+ ATOM 707 C ILE A 88 -9.054 -2.913 13.320 1.00 0.00 C
709
+ ATOM 708 CB ILE A 88 -9.601 -0.689 12.268 1.00 0.00 C
710
+ ATOM 709 O ILE A 88 -7.963 -3.260 12.860 1.00 0.00 O
711
+ ATOM 710 CG1 ILE A 88 -9.972 0.773 12.545 1.00 0.00 C
712
+ ATOM 711 CG2 ILE A 88 -10.696 -1.386 11.454 1.00 0.00 C
713
+ ATOM 712 CD1 ILE A 88 -9.989 1.654 11.303 1.00 0.00 C
714
+ ATOM 713 N GLN A 89 -10.013 -3.790 13.566 1.00 0.00 N
715
+ ATOM 714 CA GLN A 89 -9.975 -5.208 13.225 1.00 0.00 C
716
+ ATOM 715 C GLN A 89 -11.162 -5.595 12.348 1.00 0.00 C
717
+ ATOM 716 CB GLN A 89 -9.956 -6.065 14.492 1.00 0.00 C
718
+ ATOM 717 O GLN A 89 -12.307 -5.259 12.660 1.00 0.00 O
719
+ ATOM 718 CG GLN A 89 -8.735 -5.835 15.372 1.00 0.00 C
720
+ ATOM 719 CD GLN A 89 -8.862 -6.490 16.734 1.00 0.00 C
721
+ ATOM 720 NE2 GLN A 89 -8.146 -7.593 16.931 1.00 0.00 N
722
+ ATOM 721 OE1 GLN A 89 -9.595 -6.010 17.603 1.00 0.00 O
723
+ ATOM 722 N VAL A 90 -10.875 -6.240 11.259 1.00 0.00 N
724
+ ATOM 723 CA VAL A 90 -11.906 -6.765 10.371 1.00 0.00 C
725
+ ATOM 724 C VAL A 90 -11.767 -8.281 10.256 1.00 0.00 C
726
+ ATOM 725 CB VAL A 90 -11.834 -6.116 8.970 1.00 0.00 C
727
+ ATOM 726 O VAL A 90 -10.757 -8.782 9.754 1.00 0.00 O
728
+ ATOM 727 CG1 VAL A 90 -12.977 -6.610 8.087 1.00 0.00 C
729
+ ATOM 728 CG2 VAL A 90 -11.864 -4.593 9.087 1.00 0.00 C
730
+ ATOM 729 N LEU A 91 -12.728 -8.960 10.766 1.00 0.00 N
731
+ ATOM 730 CA LEU A 91 -12.788 -10.413 10.659 1.00 0.00 C
732
+ ATOM 731 C LEU A 91 -13.683 -10.837 9.500 1.00 0.00 C
733
+ ATOM 732 CB LEU A 91 -13.300 -11.027 11.965 1.00 0.00 C
734
+ ATOM 733 O LEU A 91 -14.831 -10.395 9.403 1.00 0.00 O
735
+ ATOM 734 CG LEU A 91 -13.413 -12.552 12.000 1.00 0.00 C
736
+ ATOM 735 CD1 LEU A 91 -12.041 -13.189 11.814 1.00 0.00 C
737
+ ATOM 736 CD2 LEU A 91 -14.050 -13.011 13.306 1.00 0.00 C
738
+ ATOM 737 N VAL A 92 -13.118 -11.686 8.606 1.00 0.00 N
739
+ ATOM 738 CA VAL A 92 -13.875 -12.195 7.468 1.00 0.00 C
740
+ ATOM 739 C VAL A 92 -14.604 -13.476 7.864 1.00 0.00 C
741
+ ATOM 740 CB VAL A 92 -12.960 -12.458 6.250 1.00 0.00 C
742
+ ATOM 741 O VAL A 92 -13.973 -14.495 8.153 1.00 0.00 O
743
+ ATOM 742 CG1 VAL A 92 -13.779 -12.941 5.054 1.00 0.00 C
744
+ ATOM 743 CG2 VAL A 92 -12.175 -11.198 5.891 1.00 0.00 C
745
+ ATOM 744 N GLU A 93 -15.877 -13.394 7.920 1.00 0.00 N
746
+ ATOM 745 CA GLU A 93 -16.738 -14.548 8.159 1.00 0.00 C
747
+ ATOM 746 C GLU A 93 -17.378 -15.038 6.862 1.00 0.00 C
748
+ ATOM 747 CB GLU A 93 -17.822 -14.207 9.184 1.00 0.00 C
749
+ ATOM 748 O GLU A 93 -17.291 -14.369 5.830 1.00 0.00 O
750
+ ATOM 749 CG GLU A 93 -17.279 -13.874 10.566 1.00 0.00 C
751
+ ATOM 750 CD GLU A 93 -16.877 -15.105 11.364 1.00 0.00 C
752
+ ATOM 751 OE1 GLU A 93 -17.207 -16.236 10.943 1.00 0.00 O
753
+ ATOM 752 OE2 GLU A 93 -16.228 -14.935 12.420 1.00 0.00 O
754
+ ATOM 753 N PRO A 94 -17.962 -16.176 6.862 1.00 0.00 N
755
+ ATOM 754 CA PRO A 94 -18.561 -16.684 5.626 1.00 0.00 C
756
+ ATOM 755 C PRO A 94 -19.639 -15.758 5.068 1.00 0.00 C
757
+ ATOM 756 CB PRO A 94 -19.162 -18.027 6.052 1.00 0.00 C
758
+ ATOM 757 O PRO A 94 -19.801 -15.658 3.849 1.00 0.00 O
759
+ ATOM 758 CG PRO A 94 -18.283 -18.504 7.163 1.00 0.00 C
760
+ ATOM 759 CD PRO A 94 -17.859 -17.317 7.979 1.00 0.00 C
761
+ ATOM 760 N ASP A 95 -20.302 -15.062 5.859 1.00 0.00 N
762
+ ATOM 761 CA ASP A 95 -21.475 -14.335 5.384 1.00 0.00 C
763
+ ATOM 762 C ASP A 95 -21.285 -12.828 5.537 1.00 0.00 C
764
+ ATOM 763 CB ASP A 95 -22.728 -14.787 6.136 1.00 0.00 C
765
+ ATOM 764 O ASP A 95 -22.088 -12.041 5.031 1.00 0.00 O
766
+ ATOM 765 CG ASP A 95 -23.097 -16.234 5.858 1.00 0.00 C
767
+ ATOM 766 OD1 ASP A 95 -22.983 -16.679 4.696 1.00 0.00 O
768
+ ATOM 767 OD2 ASP A 95 -23.509 -16.933 6.809 1.00 0.00 O
769
+ ATOM 768 N HIS A 96 -20.287 -12.354 6.309 1.00 0.00 N
770
+ ATOM 769 CA HIS A 96 -20.163 -10.924 6.569 1.00 0.00 C
771
+ ATOM 770 C HIS A 96 -18.745 -10.563 6.995 1.00 0.00 C
772
+ ATOM 771 CB HIS A 96 -21.161 -10.488 7.644 1.00 0.00 C
773
+ ATOM 772 O HIS A 96 -17.948 -11.444 7.329 1.00 0.00 O
774
+ ATOM 773 CG HIS A 96 -20.984 -11.194 8.950 1.00 0.00 C
775
+ ATOM 774 CD2 HIS A 96 -20.308 -10.840 10.069 1.00 0.00 C
776
+ ATOM 775 ND1 HIS A 96 -21.541 -12.427 9.211 1.00 0.00 N
777
+ ATOM 776 CE1 HIS A 96 -21.215 -12.801 10.437 1.00 0.00 C
778
+ ATOM 777 NE2 HIS A 96 -20.466 -11.855 10.978 1.00 0.00 N
779
+ ATOM 778 N PHE A 97 -18.482 -9.372 6.898 1.00 0.00 N
780
+ ATOM 779 CA PHE A 97 -17.360 -8.760 7.600 1.00 0.00 C
781
+ ATOM 780 C PHE A 97 -17.770 -8.329 9.003 1.00 0.00 C
782
+ ATOM 781 CB PHE A 97 -16.827 -7.557 6.816 1.00 0.00 C
783
+ ATOM 782 O PHE A 97 -18.848 -7.761 9.194 1.00 0.00 O
784
+ ATOM 783 CG PHE A 97 -16.255 -7.913 5.470 1.00 0.00 C
785
+ ATOM 784 CD1 PHE A 97 -14.969 -8.431 5.361 1.00 0.00 C
786
+ ATOM 785 CD2 PHE A 97 -17.003 -7.732 4.315 1.00 0.00 C
787
+ ATOM 786 CE1 PHE A 97 -14.438 -8.762 4.116 1.00 0.00 C
788
+ ATOM 787 CE2 PHE A 97 -16.479 -8.061 3.068 1.00 0.00 C
789
+ ATOM 788 CZ PHE A 97 -15.195 -8.574 2.971 1.00 0.00 C
790
+ ATOM 789 N LYS A 98 -16.969 -8.643 9.961 1.00 0.00 N
791
+ ATOM 790 CA LYS A 98 -17.130 -8.170 11.333 1.00 0.00 C
792
+ ATOM 791 C LYS A 98 -16.061 -7.143 11.691 1.00 0.00 C
793
+ ATOM 792 CB LYS A 98 -17.079 -9.343 12.313 1.00 0.00 C
794
+ ATOM 793 O LYS A 98 -14.864 -7.428 11.603 1.00 0.00 O
795
+ ATOM 794 CG LYS A 98 -17.561 -9.000 13.715 1.00 0.00 C
796
+ ATOM 795 CD LYS A 98 -17.473 -10.202 14.646 1.00 0.00 C
797
+ ATOM 796 CE LYS A 98 -18.592 -11.200 14.381 1.00 0.00 C
798
+ ATOM 797 NZ LYS A 98 -18.489 -12.396 15.269 1.00 0.00 N
799
+ ATOM 798 N VAL A 99 -16.498 -5.989 12.176 1.00 0.00 N
800
+ ATOM 799 CA VAL A 99 -15.578 -4.889 12.449 1.00 0.00 C
801
+ ATOM 800 C VAL A 99 -15.566 -4.584 13.946 1.00 0.00 C
802
+ ATOM 801 CB VAL A 99 -15.954 -3.622 11.650 1.00 0.00 C
803
+ ATOM 802 O VAL A 99 -16.622 -4.423 14.561 1.00 0.00 O
804
+ ATOM 803 CG1 VAL A 99 -14.929 -2.514 11.880 1.00 0.00 C
805
+ ATOM 804 CG2 VAL A 99 -16.072 -3.945 10.162 1.00 0.00 C
806
+ ATOM 805 N ALA A 100 -14.414 -4.488 14.487 1.00 0.00 N
807
+ ATOM 806 CA ALA A 100 -14.160 -3.983 15.834 1.00 0.00 C
808
+ ATOM 807 C ALA A 100 -13.190 -2.806 15.805 1.00 0.00 C
809
+ ATOM 808 CB ALA A 100 -13.616 -5.097 16.726 1.00 0.00 C
810
+ ATOM 809 O ALA A 100 -12.273 -2.769 14.981 1.00 0.00 O
811
+ ATOM 810 N VAL A 101 -13.414 -1.879 16.664 1.00 0.00 N
812
+ ATOM 811 CA VAL A 101 -12.516 -0.743 16.844 1.00 0.00 C
813
+ ATOM 812 C VAL A 101 -12.130 -0.617 18.316 1.00 0.00 C
814
+ ATOM 813 CB VAL A 101 -13.158 0.572 16.346 1.00 0.00 C
815
+ ATOM 814 O VAL A 101 -12.999 -0.590 19.192 1.00 0.00 O
816
+ ATOM 815 CG1 VAL A 101 -12.204 1.748 16.547 1.00 0.00 C
817
+ ATOM 816 CG2 VAL A 101 -13.556 0.449 14.877 1.00 0.00 C
818
+ ATOM 817 N ASN A 102 -10.891 -0.560 18.485 1.00 0.00 N
819
+ ATOM 818 CA ASN A 102 -10.370 -0.492 19.846 1.00 0.00 C
820
+ ATOM 819 C ASN A 102 -10.942 -1.604 20.721 1.00 0.00 C
821
+ ATOM 820 CB ASN A 102 -10.664 0.876 20.466 1.00 0.00 C
822
+ ATOM 821 O ASN A 102 -11.411 -1.347 21.831 1.00 0.00 O
823
+ ATOM 822 CG ASN A 102 -10.025 2.015 19.697 1.00 0.00 C
824
+ ATOM 823 ND2 ASN A 102 -10.653 3.183 19.737 1.00 0.00 N
825
+ ATOM 824 OD1 ASN A 102 -8.976 1.845 19.069 1.00 0.00 O
826
+ ATOM 825 N ASP A 103 -10.912 -2.727 20.213 1.00 0.00 N
827
+ ATOM 826 CA ASP A 103 -11.215 -3.998 20.865 1.00 0.00 C
828
+ ATOM 827 C ASP A 103 -12.688 -4.075 21.263 1.00 0.00 C
829
+ ATOM 828 CB ASP A 103 -10.327 -4.196 22.095 1.00 0.00 C
830
+ ATOM 829 O ASP A 103 -13.061 -4.865 22.132 1.00 0.00 O
831
+ ATOM 830 CG ASP A 103 -8.852 -4.309 21.749 1.00 0.00 C
832
+ ATOM 831 OD1 ASP A 103 -8.513 -4.935 20.722 1.00 0.00 O
833
+ ATOM 832 OD2 ASP A 103 -8.022 -3.768 22.512 1.00 0.00 O
834
+ ATOM 833 N ALA A 104 -13.461 -3.233 20.667 1.00 0.00 N
835
+ ATOM 834 CA ALA A 104 -14.906 -3.278 20.876 1.00 0.00 C
836
+ ATOM 835 C ALA A 104 -15.643 -3.513 19.561 1.00 0.00 C
837
+ ATOM 836 CB ALA A 104 -15.390 -1.988 21.532 1.00 0.00 C
838
+ ATOM 837 O ALA A 104 -15.335 -2.879 18.548 1.00 0.00 O
839
+ ATOM 838 N HIS A 105 -16.589 -4.463 19.584 1.00 0.00 N
840
+ ATOM 839 CA HIS A 105 -17.418 -4.710 18.410 1.00 0.00 C
841
+ ATOM 840 C HIS A 105 -18.116 -3.435 17.949 1.00 0.00 C
842
+ ATOM 841 CB HIS A 105 -18.452 -5.798 18.702 1.00 0.00 C
843
+ ATOM 842 O HIS A 105 -18.674 -2.699 18.766 1.00 0.00 O
844
+ ATOM 843 CG HIS A 105 -19.428 -6.014 17.590 1.00 0.00 C
845
+ ATOM 844 CD2 HIS A 105 -20.745 -5.717 17.494 1.00 0.00 C
846
+ ATOM 845 ND1 HIS A 105 -19.078 -6.606 16.396 1.00 0.00 N
847
+ ATOM 846 CE1 HIS A 105 -20.141 -6.663 15.611 1.00 0.00 C
848
+ ATOM 847 NE2 HIS A 105 -21.166 -6.131 16.254 1.00 0.00 N
849
+ ATOM 848 N LEU A 106 -18.092 -3.167 16.618 1.00 0.00 N
850
+ ATOM 849 CA LEU A 106 -18.703 -1.951 16.093 1.00 0.00 C
851
+ ATOM 850 C LEU A 106 -19.867 -2.283 15.165 1.00 0.00 C
852
+ ATOM 851 CB LEU A 106 -17.665 -1.108 15.348 1.00 0.00 C
853
+ ATOM 852 O LEU A 106 -20.985 -1.804 15.368 1.00 0.00 O
854
+ ATOM 853 CG LEU A 106 -18.160 0.215 14.760 1.00 0.00 C
855
+ ATOM 854 CD1 LEU A 106 -18.609 1.154 15.875 1.00 0.00 C
856
+ ATOM 855 CD2 LEU A 106 -17.072 0.865 13.913 1.00 0.00 C
857
+ ATOM 856 N LEU A 107 -19.649 -3.082 14.118 1.00 0.00 N
858
+ ATOM 857 CA LEU A 107 -20.698 -3.355 13.142 1.00 0.00 C
859
+ ATOM 858 C LEU A 107 -20.393 -4.627 12.358 1.00 0.00 C
860
+ ATOM 859 CB LEU A 107 -20.857 -2.175 12.180 1.00 0.00 C
861
+ ATOM 860 O LEU A 107 -19.291 -5.172 12.456 1.00 0.00 O
862
+ ATOM 861 CG LEU A 107 -19.631 -1.816 11.339 1.00 0.00 C
863
+ ATOM 862 CD1 LEU A 107 -19.543 -2.725 10.118 1.00 0.00 C
864
+ ATOM 863 CD2 LEU A 107 -19.680 -0.351 10.919 1.00 0.00 C
865
+ ATOM 864 N GLN A 108 -21.283 -5.064 11.657 1.00 0.00 N
866
+ ATOM 865 CA GLN A 108 -21.190 -6.138 10.673 1.00 0.00 C
867
+ ATOM 866 C GLN A 108 -21.693 -5.679 9.308 1.00 0.00 C
868
+ ATOM 867 CB GLN A 108 -21.979 -7.363 11.139 1.00 0.00 C
869
+ ATOM 868 O GLN A 108 -22.607 -4.856 9.221 1.00 0.00 O
870
+ ATOM 869 CG GLN A 108 -21.419 -8.013 12.396 1.00 0.00 C
871
+ ATOM 870 CD GLN A 108 -22.282 -9.153 12.903 1.00 0.00 C
872
+ ATOM 871 NE2 GLN A 108 -21.999 -9.619 14.114 1.00 0.00 N
873
+ ATOM 872 OE1 GLN A 108 -23.198 -9.611 12.211 1.00 0.00 O
874
+ ATOM 873 N TYR A 109 -21.099 -6.158 8.286 1.00 0.00 N
875
+ ATOM 874 CA TYR A 109 -21.475 -5.849 6.911 1.00 0.00 C
876
+ ATOM 875 C TYR A 109 -21.580 -7.119 6.075 1.00 0.00 C
877
+ ATOM 876 CB TYR A 109 -20.460 -4.891 6.279 1.00 0.00 C
878
+ ATOM 877 O TYR A 109 -20.572 -7.770 5.792 1.00 0.00 O
879
+ ATOM 878 CG TYR A 109 -20.883 -4.363 4.929 1.00 0.00 C
880
+ ATOM 879 CD1 TYR A 109 -21.795 -3.316 4.824 1.00 0.00 C
881
+ ATOM 880 CD2 TYR A 109 -20.373 -4.912 3.757 1.00 0.00 C
882
+ ATOM 881 CE1 TYR A 109 -22.189 -2.826 3.583 1.00 0.00 C
883
+ ATOM 882 CE2 TYR A 109 -20.760 -4.431 2.511 1.00 0.00 C
884
+ ATOM 883 OH TYR A 109 -22.053 -2.910 1.202 1.00 0.00 O
885
+ ATOM 884 CZ TYR A 109 -21.667 -3.390 2.433 1.00 0.00 C
886
+ ATOM 885 N ASN A 110 -22.758 -7.468 5.659 1.00 0.00 N
887
+ ATOM 886 CA ASN A 110 -22.965 -8.689 4.887 1.00 0.00 C
888
+ ATOM 887 C ASN A 110 -22.280 -8.613 3.525 1.00 0.00 C
889
+ ATOM 888 CB ASN A 110 -24.459 -8.969 4.714 1.00 0.00 C
890
+ ATOM 889 O ASN A 110 -22.278 -7.561 2.884 1.00 0.00 O
891
+ ATOM 890 CG ASN A 110 -25.127 -9.390 6.009 1.00 0.00 C
892
+ ATOM 891 ND2 ASN A 110 -26.411 -9.074 6.144 1.00 0.00 N
893
+ ATOM 892 OD1 ASN A 110 -24.496 -9.992 6.880 1.00 0.00 O
894
+ ATOM 893 N HIS A 111 -21.688 -9.710 3.115 1.00 0.00 N
895
+ ATOM 894 CA HIS A 111 -21.048 -9.748 1.805 1.00 0.00 C
896
+ ATOM 895 C HIS A 111 -22.051 -9.455 0.694 1.00 0.00 C
897
+ ATOM 896 CB HIS A 111 -20.389 -11.109 1.570 1.00 0.00 C
898
+ ATOM 897 O HIS A 111 -22.995 -10.220 0.485 1.00 0.00 O
899
+ ATOM 898 CG HIS A 111 -19.291 -11.417 2.538 1.00 0.00 C
900
+ ATOM 899 CD2 HIS A 111 -18.975 -12.561 3.190 1.00 0.00 C
901
+ ATOM 900 ND1 HIS A 111 -18.363 -10.478 2.935 1.00 0.00 N
902
+ ATOM 901 CE1 HIS A 111 -17.522 -11.034 3.791 1.00 0.00 C
903
+ ATOM 902 NE2 HIS A 111 -17.871 -12.298 3.962 1.00 0.00 N
904
+ ATOM 903 N ARG A 112 -21.842 -8.395 -0.041 1.00 0.00 N
905
+ ATOM 904 CA ARG A 112 -22.606 -8.148 -1.259 1.00 0.00 C
906
+ ATOM 905 C ARG A 112 -21.884 -8.705 -2.482 1.00 0.00 C
907
+ ATOM 906 CB ARG A 112 -22.859 -6.649 -1.440 1.00 0.00 C
908
+ ATOM 907 O ARG A 112 -22.519 -9.052 -3.479 1.00 0.00 O
909
+ ATOM 908 CG ARG A 112 -23.701 -6.030 -0.335 1.00 0.00 C
910
+ ATOM 909 CD ARG A 112 -23.875 -4.531 -0.532 1.00 0.00 C
911
+ ATOM 910 NE ARG A 112 -24.504 -3.903 0.627 1.00 0.00 N
912
+ ATOM 911 NH1 ARG A 112 -24.245 -1.741 -0.142 1.00 0.00 N
913
+ ATOM 912 NH2 ARG A 112 -25.251 -2.130 1.881 1.00 0.00 N
914
+ ATOM 913 CZ ARG A 112 -24.665 -2.593 0.786 1.00 0.00 C
915
+ ATOM 914 N VAL A 113 -20.575 -8.719 -2.360 1.00 0.00 N
916
+ ATOM 915 CA VAL A 113 -19.741 -9.462 -3.299 1.00 0.00 C
917
+ ATOM 916 C VAL A 113 -19.354 -10.808 -2.691 1.00 0.00 C
918
+ ATOM 917 CB VAL A 113 -18.475 -8.666 -3.684 1.00 0.00 C
919
+ ATOM 918 O VAL A 113 -18.604 -10.861 -1.713 1.00 0.00 O
920
+ ATOM 919 CG1 VAL A 113 -17.571 -9.496 -4.594 1.00 0.00 C
921
+ ATOM 920 CG2 VAL A 113 -18.857 -7.351 -4.362 1.00 0.00 C
922
+ ATOM 921 N LYS A 114 -19.819 -11.858 -3.338 1.00 0.00 N
923
+ ATOM 922 CA LYS A 114 -19.753 -13.174 -2.710 1.00 0.00 C
924
+ ATOM 923 C LYS A 114 -18.447 -13.884 -3.056 1.00 0.00 C
925
+ ATOM 924 CB LYS A 114 -20.944 -14.033 -3.137 1.00 0.00 C
926
+ ATOM 925 O LYS A 114 -17.995 -14.760 -2.316 1.00 0.00 O
927
+ ATOM 926 CG LYS A 114 -22.295 -13.468 -2.721 1.00 0.00 C
928
+ ATOM 927 CD LYS A 114 -22.439 -13.421 -1.206 1.00 0.00 C
929
+ ATOM 928 CE LYS A 114 -23.835 -12.979 -0.789 1.00 0.00 C
930
+ ATOM 929 NZ LYS A 114 -23.949 -12.829 0.693 1.00 0.00 N
931
+ ATOM 930 N LYS A 115 -17.921 -13.472 -4.157 1.00 0.00 N
932
+ ATOM 931 CA LYS A 115 -16.650 -14.090 -4.524 1.00 0.00 C
933
+ ATOM 932 C LYS A 115 -15.489 -13.452 -3.765 1.00 0.00 C
934
+ ATOM 933 CB LYS A 115 -16.414 -13.981 -6.030 1.00 0.00 C
935
+ ATOM 934 O LYS A 115 -14.731 -12.661 -4.331 1.00 0.00 O
936
+ ATOM 935 CG LYS A 115 -17.356 -14.835 -6.867 1.00 0.00 C
937
+ ATOM 936 CD LYS A 115 -17.011 -14.758 -8.349 1.00 0.00 C
938
+ ATOM 937 CE LYS A 115 -17.982 -15.574 -9.193 1.00 0.00 C
939
+ ATOM 938 NZ LYS A 115 -17.702 -15.431 -10.653 1.00 0.00 N
940
+ ATOM 939 N LEU A 116 -15.291 -13.955 -2.559 1.00 0.00 N
941
+ ATOM 940 CA LEU A 116 -14.384 -13.329 -1.603 1.00 0.00 C
942
+ ATOM 941 C LEU A 116 -12.932 -13.504 -2.035 1.00 0.00 C
943
+ ATOM 942 CB LEU A 116 -14.587 -13.920 -0.205 1.00 0.00 C
944
+ ATOM 943 O LEU A 116 -12.088 -12.651 -1.752 1.00 0.00 O
945
+ ATOM 944 CG LEU A 116 -15.941 -13.652 0.453 1.00 0.00 C
946
+ ATOM 945 CD1 LEU A 116 -15.986 -14.277 1.844 1.00 0.00 C
947
+ ATOM 946 CD2 LEU A 116 -16.214 -12.154 0.526 1.00 0.00 C
948
+ ATOM 947 N ASN A 117 -12.720 -14.537 -2.759 1.00 0.00 N
949
+ ATOM 948 CA ASN A 117 -11.360 -14.837 -3.197 1.00 0.00 C
950
+ ATOM 949 C ASN A 117 -10.893 -13.865 -4.278 1.00 0.00 C
951
+ ATOM 950 CB ASN A 117 -11.264 -16.278 -3.701 1.00 0.00 C
952
+ ATOM 951 O ASN A 117 -9.727 -13.887 -4.675 1.00 0.00 O
953
+ ATOM 952 CG ASN A 117 -12.148 -16.537 -4.904 1.00 0.00 C
954
+ ATOM 953 ND2 ASN A 117 -11.718 -17.444 -5.773 1.00 0.00 N
955
+ ATOM 954 OD1 ASN A 117 -13.209 -15.925 -5.054 1.00 0.00 O
956
+ ATOM 955 N GLU A 118 -11.746 -13.022 -4.765 1.00 0.00 N
957
+ ATOM 956 CA GLU A 118 -11.385 -12.028 -5.771 1.00 0.00 C
958
+ ATOM 957 C GLU A 118 -11.055 -10.684 -5.127 1.00 0.00 C
959
+ ATOM 958 CB GLU A 118 -12.515 -11.859 -6.791 1.00 0.00 C
960
+ ATOM 959 O GLU A 118 -10.634 -9.748 -5.811 1.00 0.00 O
961
+ ATOM 960 CG GLU A 118 -12.738 -13.081 -7.668 1.00 0.00 C
962
+ ATOM 961 CD GLU A 118 -13.827 -12.881 -8.710 1.00 0.00 C
963
+ ATOM 962 OE1 GLU A 118 -14.455 -11.798 -8.732 1.00 0.00 O
964
+ ATOM 963 OE2 GLU A 118 -14.056 -13.815 -9.510 1.00 0.00 O
965
+ ATOM 964 N ILE A 119 -11.336 -10.575 -3.859 1.00 0.00 N
966
+ ATOM 965 CA ILE A 119 -10.966 -9.361 -3.140 1.00 0.00 C
967
+ ATOM 966 C ILE A 119 -9.473 -9.384 -2.823 1.00 0.00 C
968
+ ATOM 967 CB ILE A 119 -11.787 -9.201 -1.840 1.00 0.00 C
969
+ ATOM 968 O ILE A 119 -9.047 -10.014 -1.852 1.00 0.00 O
970
+ ATOM 969 CG1 ILE A 119 -13.288 -9.243 -2.149 1.00 0.00 C
971
+ ATOM 970 CG2 ILE A 119 -11.411 -7.903 -1.120 1.00 0.00 C
972
+ ATOM 971 CD1 ILE A 119 -14.170 -9.394 -0.916 1.00 0.00 C
973
+ ATOM 972 N SER A 120 -8.670 -8.704 -3.568 1.00 0.00 N
974
+ ATOM 973 CA SER A 120 -7.234 -8.966 -3.575 1.00 0.00 C
975
+ ATOM 974 C SER A 120 -6.460 -7.812 -2.947 1.00 0.00 C
976
+ ATOM 975 CB SER A 120 -6.739 -9.207 -5.001 1.00 0.00 C
977
+ ATOM 976 O SER A 120 -5.235 -7.876 -2.820 1.00 0.00 O
978
+ ATOM 977 OG SER A 120 -7.038 -8.097 -5.831 1.00 0.00 O
979
+ ATOM 978 N LYS A 121 -7.093 -6.765 -2.526 1.00 0.00 N
980
+ ATOM 979 CA LYS A 121 -6.371 -5.650 -1.922 1.00 0.00 C
981
+ ATOM 980 C LYS A 121 -7.261 -4.880 -0.953 1.00 0.00 C
982
+ ATOM 981 CB LYS A 121 -5.836 -4.709 -3.003 1.00 0.00 C
983
+ ATOM 982 O LYS A 121 -8.484 -4.848 -1.114 1.00 0.00 O
984
+ ATOM 983 CG LYS A 121 -6.921 -4.022 -3.819 1.00 0.00 C
985
+ ATOM 984 CD LYS A 121 -6.328 -3.136 -4.906 1.00 0.00 C
986
+ ATOM 985 CE LYS A 121 -7.413 -2.461 -5.733 1.00 0.00 C
987
+ ATOM 986 NZ LYS A 121 -6.836 -1.570 -6.784 1.00 0.00 N
988
+ ATOM 987 N LEU A 122 -6.664 -4.351 0.051 1.00 0.00 N
989
+ ATOM 988 CA LEU A 122 -7.281 -3.418 0.988 1.00 0.00 C
990
+ ATOM 989 C LEU A 122 -6.647 -2.035 0.874 1.00 0.00 C
991
+ ATOM 990 CB LEU A 122 -7.151 -3.935 2.423 1.00 0.00 C
992
+ ATOM 991 O LEU A 122 -5.480 -1.852 1.229 1.00 0.00 O
993
+ ATOM 992 CG LEU A 122 -7.587 -2.977 3.532 1.00 0.00 C
994
+ ATOM 993 CD1 LEU A 122 -9.074 -2.660 3.403 1.00 0.00 C
995
+ ATOM 994 CD2 LEU A 122 -7.279 -3.569 4.903 1.00 0.00 C
996
+ ATOM 995 N GLY A 123 -7.385 -1.085 0.249 1.00 0.00 N
997
+ ATOM 996 CA GLY A 123 -6.966 0.307 0.235 1.00 0.00 C
998
+ ATOM 997 C GLY A 123 -7.249 1.027 1.541 1.00 0.00 C
999
+ ATOM 998 O GLY A 123 -8.367 0.971 2.057 1.00 0.00 O
1000
+ ATOM 999 N ILE A 124 -6.279 1.682 2.113 1.00 0.00 N
1001
+ ATOM 1000 CA ILE A 124 -6.381 2.473 3.335 1.00 0.00 C
1002
+ ATOM 1001 C ILE A 124 -6.043 3.931 3.035 1.00 0.00 C
1003
+ ATOM 1002 CB ILE A 124 -5.455 1.924 4.443 1.00 0.00 C
1004
+ ATOM 1003 O ILE A 124 -4.961 4.232 2.525 1.00 0.00 O
1005
+ ATOM 1004 CG1 ILE A 124 -5.718 0.431 4.667 1.00 0.00 C
1006
+ ATOM 1005 CG2 ILE A 124 -5.638 2.714 5.742 1.00 0.00 C
1007
+ ATOM 1006 CD1 ILE A 124 -4.609 -0.286 5.425 1.00 0.00 C
1008
+ ATOM 1007 N SER A 125 -6.976 4.840 3.283 1.00 0.00 N
1009
+ ATOM 1008 CA SER A 125 -6.752 6.246 2.965 1.00 0.00 C
1010
+ ATOM 1009 C SER A 125 -7.456 7.158 3.964 1.00 0.00 C
1011
+ ATOM 1010 CB SER A 125 -7.235 6.560 1.549 1.00 0.00 C
1012
+ ATOM 1011 O SER A 125 -8.234 6.690 4.799 1.00 0.00 O
1013
+ ATOM 1012 OG SER A 125 -8.637 6.375 1.442 1.00 0.00 O
1014
+ ATOM 1013 N GLY A 126 -7.198 8.365 3.886 1.00 0.00 N
1015
+ ATOM 1014 CA GLY A 126 -7.816 9.374 4.732 1.00 0.00 C
1016
+ ATOM 1015 C GLY A 126 -6.838 10.030 5.688 1.00 0.00 C
1017
+ ATOM 1016 O GLY A 126 -5.625 9.989 5.470 1.00 0.00 O
1018
+ ATOM 1017 N ASP A 127 -7.331 10.679 6.586 1.00 0.00 N
1019
+ ATOM 1018 CA ASP A 127 -6.606 11.585 7.471 1.00 0.00 C
1020
+ ATOM 1019 C ASP A 127 -6.065 10.842 8.692 1.00 0.00 C
1021
+ ATOM 1020 CB ASP A 127 -7.508 12.739 7.915 1.00 0.00 C
1022
+ ATOM 1021 O ASP A 127 -6.456 11.132 9.825 1.00 0.00 O
1023
+ ATOM 1022 CG ASP A 127 -8.070 13.533 6.749 1.00 0.00 C
1024
+ ATOM 1023 OD1 ASP A 127 -7.295 13.940 5.858 1.00 0.00 O
1025
+ ATOM 1024 OD2 ASP A 127 -9.300 13.758 6.724 1.00 0.00 O
1026
+ ATOM 1025 N ILE A 128 -5.038 9.973 8.455 1.00 0.00 N
1027
+ ATOM 1026 CA ILE A 128 -4.468 9.167 9.529 1.00 0.00 C
1028
+ ATOM 1027 C ILE A 128 -2.957 9.052 9.340 1.00 0.00 C
1029
+ ATOM 1028 CB ILE A 128 -5.109 7.762 9.582 1.00 0.00 C
1030
+ ATOM 1029 O ILE A 128 -2.449 9.217 8.228 1.00 0.00 O
1031
+ ATOM 1030 CG1 ILE A 128 -4.846 7.005 8.276 1.00 0.00 C
1032
+ ATOM 1031 CG2 ILE A 128 -6.611 7.864 9.863 1.00 0.00 C
1033
+ ATOM 1032 CD1 ILE A 128 -5.269 5.543 8.311 1.00 0.00 C
1034
+ ATOM 1033 N ASP A 129 -2.260 8.801 10.340 1.00 0.00 N
1035
+ ATOM 1034 CA ASP A 129 -0.905 8.259 10.373 1.00 0.00 C
1036
+ ATOM 1035 C ASP A 129 -0.922 6.752 10.616 1.00 0.00 C
1037
+ ATOM 1036 CB ASP A 129 -0.074 8.957 11.450 1.00 0.00 C
1038
+ ATOM 1037 O ASP A 129 -1.249 6.300 11.715 1.00 0.00 O
1039
+ ATOM 1038 CG ASP A 129 0.095 10.446 11.199 1.00 0.00 C
1040
+ ATOM 1039 OD1 ASP A 129 0.431 10.837 10.061 1.00 0.00 O
1041
+ ATOM 1040 OD2 ASP A 129 -0.108 11.233 12.149 1.00 0.00 O
1042
+ ATOM 1041 N LEU A 130 -0.654 6.074 9.599 1.00 0.00 N
1043
+ ATOM 1042 CA LEU A 130 -0.762 4.619 9.624 1.00 0.00 C
1044
+ ATOM 1043 C LEU A 130 0.497 3.990 10.210 1.00 0.00 C
1045
+ ATOM 1044 CB LEU A 130 -1.009 4.075 8.213 1.00 0.00 C
1046
+ ATOM 1045 O LEU A 130 1.596 4.191 9.690 1.00 0.00 O
1047
+ ATOM 1046 CG LEU A 130 -1.224 2.566 8.097 1.00 0.00 C
1048
+ ATOM 1047 CD1 LEU A 130 -2.448 2.142 8.904 1.00 0.00 C
1049
+ ATOM 1048 CD2 LEU A 130 -1.373 2.157 6.636 1.00 0.00 C
1050
+ ATOM 1049 N THR A 131 0.358 3.211 11.260 1.00 0.00 N
1051
+ ATOM 1050 CA THR A 131 1.473 2.546 11.926 1.00 0.00 C
1052
+ ATOM 1051 C THR A 131 1.721 1.168 11.320 1.00 0.00 C
1053
+ ATOM 1052 CB THR A 131 1.219 2.408 13.438 1.00 0.00 C
1054
+ ATOM 1053 O THR A 131 2.860 0.819 11.000 1.00 0.00 O
1055
+ ATOM 1054 CG2 THR A 131 2.417 1.781 14.142 1.00 0.00 C
1056
+ ATOM 1055 OG1 THR A 131 0.974 3.705 13.996 1.00 0.00 O
1057
+ ATOM 1056 N SER A 132 0.659 0.395 11.209 1.00 0.00 N
1058
+ ATOM 1057 CA SER A 132 0.783 -0.936 10.622 1.00 0.00 C
1059
+ ATOM 1058 C SER A 132 -0.542 -1.406 10.033 1.00 0.00 C
1060
+ ATOM 1059 CB SER A 132 1.272 -1.940 11.667 1.00 0.00 C
1061
+ ATOM 1060 O SER A 132 -1.607 -0.923 10.423 1.00 0.00 O
1062
+ ATOM 1061 OG SER A 132 0.249 -2.224 12.606 1.00 0.00 O
1063
+ ATOM 1062 N ALA A 133 -0.459 -2.271 9.070 1.00 0.00 N
1064
+ ATOM 1063 CA ALA A 133 -1.560 -2.995 8.439 1.00 0.00 C
1065
+ ATOM 1064 C ALA A 133 -1.163 -4.435 8.127 1.00 0.00 C
1066
+ ATOM 1065 CB ALA A 133 -2.007 -2.280 7.167 1.00 0.00 C
1067
+ ATOM 1066 O ALA A 133 -0.212 -4.675 7.380 1.00 0.00 O
1068
+ ATOM 1067 N SER A 134 -1.918 -5.396 8.790 1.00 0.00 N
1069
+ ATOM 1068 CA SER A 134 -1.529 -6.795 8.653 1.00 0.00 C
1070
+ ATOM 1069 C SER A 134 -2.740 -7.718 8.740 1.00 0.00 C
1071
+ ATOM 1070 CB SER A 134 -0.509 -7.176 9.727 1.00 0.00 C
1072
+ ATOM 1071 O SER A 134 -3.840 -7.275 9.079 1.00 0.00 O
1073
+ ATOM 1072 OG SER A 134 -1.083 -7.083 11.019 1.00 0.00 O
1074
+ ATOM 1073 N TYR A 135 -2.533 -8.968 8.347 1.00 0.00 N
1075
+ ATOM 1074 CA TYR A 135 -3.604 -9.940 8.540 1.00 0.00 C
1076
+ ATOM 1075 C TYR A 135 -3.046 -11.281 9.002 1.00 0.00 C
1077
+ ATOM 1076 CB TYR A 135 -4.401 -10.125 7.245 1.00 0.00 C
1078
+ ATOM 1077 O TYR A 135 -1.870 -11.580 8.782 1.00 0.00 O
1079
+ ATOM 1078 CG TYR A 135 -3.568 -10.603 6.081 1.00 0.00 C
1080
+ ATOM 1079 CD1 TYR A 135 -2.991 -9.698 5.193 1.00 0.00 C
1081
+ ATOM 1080 CD2 TYR A 135 -3.355 -11.961 5.867 1.00 0.00 C
1082
+ ATOM 1081 CE1 TYR A 135 -2.223 -10.135 4.118 1.00 0.00 C
1083
+ ATOM 1082 CE2 TYR A 135 -2.589 -12.409 4.796 1.00 0.00 C
1084
+ ATOM 1083 OH TYR A 135 -1.270 -11.928 2.866 1.00 0.00 O
1085
+ ATOM 1084 CZ TYR A 135 -2.028 -11.490 3.929 1.00 0.00 C
1086
+ ATOM 1085 N THR A 136 -3.867 -11.992 9.715 1.00 0.00 N
1087
+ ATOM 1086 CA THR A 136 -3.582 -13.337 10.203 1.00 0.00 C
1088
+ ATOM 1087 C THR A 136 -4.814 -14.229 10.080 1.00 0.00 C
1089
+ ATOM 1088 CB THR A 136 -3.108 -13.311 11.668 1.00 0.00 C
1090
+ ATOM 1089 O THR A 136 -5.938 -13.735 9.979 1.00 0.00 O
1091
+ ATOM 1090 CG2 THR A 136 -4.218 -12.835 12.598 1.00 0.00 C
1092
+ ATOM 1091 OG1 THR A 136 -2.707 -14.631 12.057 1.00 0.00 O
1093
+ ATOM 1092 N MET A 137 -4.594 -15.582 10.027 1.00 0.00 N
1094
+ ATOM 1093 CA MET A 137 -5.689 -16.545 10.095 1.00 0.00 C
1095
+ ATOM 1094 C MET A 137 -5.970 -16.948 11.539 1.00 0.00 C
1096
+ ATOM 1095 CB MET A 137 -5.367 -17.785 9.260 1.00 0.00 C
1097
+ ATOM 1096 O MET A 137 -5.044 -17.249 12.295 1.00 0.00 O
1098
+ ATOM 1097 CG MET A 137 -5.094 -17.483 7.794 1.00 0.00 C
1099
+ ATOM 1098 SD MET A 137 -6.523 -16.687 6.963 1.00 0.00 S
1100
+ ATOM 1099 CE MET A 137 -7.703 -18.065 6.963 1.00 0.00 C
1101
+ ATOM 1100 N ILE A 138 -7.324 -16.903 11.864 1.00 0.00 N
1102
+ ATOM 1101 CA ILE A 138 -7.610 -17.248 13.253 1.00 0.00 C
1103
+ ATOM 1102 C ILE A 138 -8.600 -18.410 13.302 1.00 0.00 C
1104
+ ATOM 1103 CB ILE A 138 -8.165 -16.036 14.033 1.00 0.00 C
1105
+ ATOM 1104 O ILE A 138 -9.338 -18.646 12.343 1.00 0.00 O
1106
+ ATOM 1105 CG1 ILE A 138 -9.482 -15.558 13.409 1.00 0.00 C
1107
+ ATOM 1106 CG2 ILE A 138 -7.136 -14.903 14.076 1.00 0.00 C
1108
+ ATOM 1107 CD1 ILE A 138 -10.246 -14.559 14.268 1.00 0.00 C
1109
+ ATOM 1108 OXT ILE A 138 -8.159 -18.642 14.407 1.00 0.00 O
1110
+ TER 1109 ILE A 138
1111
+ END
6qln/6qln_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
6qln/6qln_rdkit_ligand.pdb ADDED
@@ -0,0 +1,80 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ COMPND 6qln_ligand
2
+ HETATM 1 C1 UNL 1 -5.749 0.290 0.261 1.00 0.00 C
3
+ HETATM 2 C2 UNL 1 -5.787 0.559 -1.083 1.00 0.00 C
4
+ HETATM 3 C3 UNL 1 -7.009 0.773 -1.696 1.00 0.00 C
5
+ HETATM 4 C4 UNL 1 -8.165 0.710 -0.941 1.00 0.00 C
6
+ HETATM 5 C5 UNL 1 -6.918 0.228 1.016 1.00 0.00 C
7
+ HETATM 6 C6 UNL 1 8.016 0.580 -0.719 1.00 0.00 C
8
+ HETATM 7 C7 UNL 1 6.550 0.810 -0.801 1.00 0.00 C
9
+ HETATM 8 C8 UNL 1 5.722 0.141 0.044 1.00 0.00 C
10
+ HETATM 9 C9 UNL 1 4.364 0.360 -0.039 1.00 0.00 C
11
+ HETATM 10 C10 UNL 1 6.039 1.688 -1.720 1.00 0.00 C
12
+ HETATM 11 C11 UNL 1 4.665 1.903 -1.797 1.00 0.00 C
13
+ HETATM 12 C12 UNL 1 3.795 1.227 -0.939 1.00 0.00 C
14
+ HETATM 13 C13 UNL 1 1.208 0.500 0.170 1.00 0.00 C
15
+ HETATM 14 C14 UNL 1 1.111 -1.586 0.993 1.00 0.00 C
16
+ HETATM 15 C15 UNL 1 1.739 -2.953 1.041 1.00 0.00 C
17
+ HETATM 16 C16 UNL 1 -0.396 -1.655 0.844 1.00 0.00 C
18
+ HETATM 17 C17 UNL 1 -0.886 -0.255 1.168 1.00 0.00 C
19
+ HETATM 18 C18 UNL 1 -3.235 0.088 0.325 1.00 0.00 C
20
+ HETATM 19 C19 UNL 1 -4.471 0.064 0.914 1.00 0.00 C
21
+ HETATM 20 C20 UNL 1 -8.110 0.440 0.397 1.00 0.00 C
22
+ HETATM 21 C21 UNL 1 -0.290 0.690 0.144 1.00 0.00 C
23
+ HETATM 22 F1 UNL 1 -7.070 1.041 -3.024 1.00 0.00 F
24
+ HETATM 23 N1 UNL 1 -2.310 -0.166 1.258 1.00 0.00 N
25
+ HETATM 24 N2 UNL 1 -4.265 -0.208 2.208 1.00 0.00 N
26
+ HETATM 25 N3 UNL 1 -2.976 -0.344 2.408 1.00 0.00 N
27
+ HETATM 26 O1 UNL 1 1.573 -0.826 -0.073 1.00 0.00 O
28
+ HETATM 27 O2 UNL 1 3.117 -2.803 1.173 1.00 0.00 O
29
+ HETATM 28 O3 UNL 1 -0.695 -1.963 -0.501 1.00 0.00 O
30
+ HETATM 29 O4 UNL 1 -0.545 1.983 0.603 1.00 0.00 O
31
+ HETATM 30 S1 UNL 1 2.038 1.522 -1.061 1.00 0.00 S
32
+ HETATM 31 H1 UNL 1 -4.910 0.617 -1.705 1.00 0.00 H
33
+ HETATM 32 H2 UNL 1 -9.121 0.872 -1.400 1.00 0.00 H
34
+ HETATM 33 H3 UNL 1 -6.867 0.014 2.076 1.00 0.00 H
35
+ HETATM 34 H4 UNL 1 8.526 1.515 -1.003 1.00 0.00 H
36
+ HETATM 35 H5 UNL 1 8.302 0.344 0.339 1.00 0.00 H
37
+ HETATM 36 H6 UNL 1 8.325 -0.246 -1.364 1.00 0.00 H
38
+ HETATM 37 H7 UNL 1 6.086 -0.554 0.776 1.00 0.00 H
39
+ HETATM 38 H8 UNL 1 3.699 -0.170 0.632 1.00 0.00 H
40
+ HETATM 39 H9 UNL 1 6.728 2.214 -2.389 1.00 0.00 H
41
+ HETATM 40 H10 UNL 1 4.292 2.602 -2.533 1.00 0.00 H
42
+ HETATM 41 H11 UNL 1 1.566 0.767 1.184 1.00 0.00 H
43
+ HETATM 42 H12 UNL 1 1.369 -1.021 1.923 1.00 0.00 H
44
+ HETATM 43 H13 UNL 1 1.565 -3.467 0.075 1.00 0.00 H
45
+ HETATM 44 H14 UNL 1 1.389 -3.556 1.879 1.00 0.00 H
46
+ HETATM 45 H15 UNL 1 -0.857 -2.427 1.475 1.00 0.00 H
47
+ HETATM 46 H16 UNL 1 -0.394 0.014 2.145 1.00 0.00 H
48
+ HETATM 47 H17 UNL 1 -2.973 0.275 -0.717 1.00 0.00 H
49
+ HETATM 48 H18 UNL 1 -9.007 0.395 0.963 1.00 0.00 H
50
+ HETATM 49 H19 UNL 1 -0.727 0.592 -0.850 1.00 0.00 H
51
+ HETATM 50 H20 UNL 1 3.372 -2.373 2.032 1.00 0.00 H
52
+ HETATM 51 H21 UNL 1 -1.645 -1.828 -0.699 1.00 0.00 H
53
+ HETATM 52 H22 UNL 1 0.223 2.583 0.421 1.00 0.00 H
54
+ CONECT 1 2 2 5 19
55
+ CONECT 2 3 31
56
+ CONECT 3 4 4 22
57
+ CONECT 4 20 32
58
+ CONECT 5 20 20 33
59
+ CONECT 6 7 34 35 36
60
+ CONECT 7 8 8 10
61
+ CONECT 8 9 37
62
+ CONECT 9 12 12 38
63
+ CONECT 10 11 11 39
64
+ CONECT 11 12 40
65
+ CONECT 12 30
66
+ CONECT 13 21 26 30 41
67
+ CONECT 14 15 16 26 42
68
+ CONECT 15 27 43 44
69
+ CONECT 16 17 28 45
70
+ CONECT 17 21 23 46
71
+ CONECT 18 19 19 23 47
72
+ CONECT 19 24
73
+ CONECT 20 48
74
+ CONECT 21 29 49
75
+ CONECT 23 25
76
+ CONECT 24 25 25
77
+ CONECT 27 50
78
+ CONECT 28 51
79
+ CONECT 29 52
80
+ END
6qlo/6qlo_ligand.mol2 ADDED
@@ -0,0 +1,123 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Aug 2 16:16:32 2021
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 6qlo_ligand
7
+ 52 55 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C20 -12.9540 8.4940 0.2380 C.ar 1 J5E -0.0251
14
+ 2 C21 -12.9850 8.5340 1.5860 C.ar 1 J5E -0.0279
15
+ 3 C22 -11.8940 8.7760 2.3620 C.ar 1 J5E 0.1615
16
+ 4 C24 -10.6100 8.9980 1.7640 C.ar 1 J5E 0.1613
17
+ 5 C26 -10.5500 8.9660 0.3850 C.ar 1 J5E -0.0335
18
+ 6 C01 -25.3940 9.0230 -5.8050 C.3 1 J5E -0.0343
19
+ 7 C02 -24.2640 9.2990 -4.8020 C.ar 1 J5E -0.0527
20
+ 8 C03 -23.8910 10.6180 -4.4340 C.ar 1 J5E -0.0663
21
+ 9 C04 -22.8460 10.8790 -3.5040 C.ar 1 J5E -0.0563
22
+ 10 C05 -23.5360 8.2720 -4.1770 C.ar 1 J5E -0.0663
23
+ 11 C06 -22.5020 8.5310 -3.2470 C.ar 1 J5E -0.0563
24
+ 12 C07 -22.1380 9.8380 -2.8870 C.ar 1 J5E 0.0110
25
+ 13 C09 -19.7670 8.7090 -1.6240 C.3 1 J5E 0.1452
26
+ 14 C11 -19.6660 6.4610 -0.8600 C.3 1 J5E 0.1124
27
+ 15 C12 -20.3540 5.4770 0.0370 C.3 1 J5E 0.0730
28
+ 16 C14 -18.1920 6.6170 -0.5690 C.3 1 J5E 0.1195
29
+ 17 C16 -17.6190 7.6800 -1.5250 C.3 1 J5E 0.1475
30
+ 18 C18 -15.4480 8.2280 -0.2360 C.2 1 J5E 0.0867
31
+ 19 C19 -14.1180 8.2060 -0.5340 C.2 1 J5E 0.0664
32
+ 20 C27 -11.6870 8.7070 -0.3460 C.ar 1 J5E -0.0653
33
+ 21 C30 -18.2980 9.0300 -1.3950 C.3 1 J5E 0.1285
34
+ 22 F23 -11.9840 8.7920 3.6580 F 1 J5E -0.1854
35
+ 23 F25 -9.5820 9.2370 2.4980 F 1 J5E -0.1872
36
+ 24 N17 -16.1840 7.8190 -1.3520 N.pl3 1 J5E -0.1596
37
+ 25 N28 -14.0880 7.7560 -1.8580 N.2 1 J5E -0.2176
38
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