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Opened 8 months ago
Closed 6 months ago
#16987 closed defect (fixed)
Modeller failure
| Reported by: | Mitch Murphy | Owned by: | pett |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Prediction | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-14.4.1-arm64-arm-64bit
ChimeraX Version: 1.10.dev202502260530 (2025-02-26 05:30:36 UTC)
Description
https://ringo.ams.stonybrook.edu/index.php/2025_DOCK_tutorial_1_with_PDBID_1O86
- Tools > Sequence > Model Loops
- Tools > Sequence > Show Sequence Viewer
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.10.dev202502260530 (2025-02-26)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 1o86 fromDatabase pdb format mmcif
1o86 title:
Crystal Structure of Human Angiotensin Converting Enzyme in complex with
lisinopril. [more info...]
Chain information for 1o86 #1
---
Chain | Description | UniProt
A | ANGIOTENSIN CONVERTING ENZYME | ACET_HUMAN 37-625
Non-standard residues in 1o86 #1
---
CL — chloride ion
GLY — glycine
LPR — [N2-[(S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline (lisinopril)
ZN — zinc ion
> info residues
residue id /A:40 name ASP index 3
residue id /A:41 name GLU index 4
residue id /A:42 name ALA index 5
residue id /A:43 name GLU index 6
residue id /A:44 name ALA index 7
residue id /A:45 name SER index 8
residue id /A:46 name LYS index 9
residue id /A:47 name PHE index 10
residue id /A:48 name VAL index 11
residue id /A:49 name GLU index 12
residue id /A:50 name GLU index 13
residue id /A:51 name TYR index 14
residue id /A:52 name ASP index 15
residue id /A:53 name ARG index 16
residue id /A:54 name THR index 17
residue id /A:55 name SER index 18
residue id /A:56 name GLN index 19
residue id /A:57 name VAL index 20
residue id /A:58 name VAL index 21
residue id /A:59 name TRP index 22
residue id /A:60 name ASN index 23
residue id /A:61 name GLU index 24
residue id /A:62 name TYR index 25
residue id /A:63 name ALA index 26
residue id /A:64 name GLU index 27
residue id /A:65 name ALA index 28
residue id /A:66 name ASN index 29
residue id /A:67 name TRP index 30
residue id /A:68 name ASN index 31
residue id /A:69 name TYR index 32
residue id /A:70 name ASN index 33
residue id /A:71 name THR index 34
residue id /A:72 name ASN index 35
residue id /A:73 name ILE index 36
residue id /A:74 name THR index 37
residue id /A:75 name THR index 38
residue id /A:76 name GLU index 39
residue id /A:77 name THR index 40
residue id /A:78 name SER index 41
residue id /A:79 name LYS index 42
residue id /A:80 name ILE index 43
residue id /A:81 name LEU index 44
residue id /A:82 name LEU index 45
residue id /A:83 name GLN index 46
residue id /A:84 name LYS index 47
residue id /A:85 name ASN index 48
residue id /A:86 name MET index 49
residue id /A:87 name GLN index 50
residue id /A:88 name ILE index 51
residue id /A:89 name ALA index 52
residue id /A:90 name ASN index 53
residue id /A:91 name HIS index 54
residue id /A:92 name THR index 55
residue id /A:93 name LEU index 56
residue id /A:94 name LYS index 57
residue id /A:95 name TYR index 58
residue id /A:96 name GLY index 59
residue id /A:97 name THR index 60
residue id /A:98 name GLN index 61
residue id /A:99 name ALA index 62
residue id /A:100 name ARG index 63
residue id /A:101 name LYS index 64
residue id /A:102 name PHE index 65
residue id /A:103 name ASP index 66
residue id /A:104 name VAL index 67
residue id /A:105 name ASN index 68
residue id /A:106 name GLN index 69
residue id /A:107 name LEU index 70
residue id /A:108 name GLN index 71
residue id /A:109 name ASN index 72
residue id /A:110 name THR index 73
residue id /A:111 name THR index 74
residue id /A:112 name ILE index 75
residue id /A:113 name LYS index 76
residue id /A:114 name ARG index 77
residue id /A:115 name ILE index 78
residue id /A:116 name ILE index 79
residue id /A:117 name LYS index 80
residue id /A:118 name LYS index 81
residue id /A:119 name VAL index 82
residue id /A:120 name GLN index 83
residue id /A:121 name ASP index 84
residue id /A:122 name LEU index 85
residue id /A:123 name GLU index 86
residue id /A:124 name ARG index 87
residue id /A:125 name ALA index 88
residue id /A:126 name ALA index 89
residue id /A:127 name LEU index 90
residue id /A:128 name PRO index 91
residue id /A:129 name ALA index 92
residue id /A:130 name GLN index 93
residue id /A:131 name GLU index 94
residue id /A:132 name LEU index 95
residue id /A:133 name GLU index 96
residue id /A:134 name GLU index 97
residue id /A:135 name TYR index 98
residue id /A:136 name ASN index 99
residue id /A:137 name LYS index 100
residue id /A:138 name ILE index 101
residue id /A:139 name LEU index 102
residue id /A:140 name LEU index 103
residue id /A:141 name ASP index 104
residue id /A:142 name MET index 105
residue id /A:143 name GLU index 106
residue id /A:144 name THR index 107
residue id /A:145 name THR index 108
residue id /A:146 name TYR index 109
residue id /A:147 name SER index 110
residue id /A:148 name VAL index 111
residue id /A:149 name ALA index 112
residue id /A:150 name THR index 113
residue id /A:151 name VAL index 114
residue id /A:152 name CYS index 115
residue id /A:153 name HIS index 116
residue id /A:154 name PRO index 117
residue id /A:155 name ASN index 118
residue id /A:156 name GLY index 119
residue id /A:157 name SER index 120
residue id /A:158 name CYS index 121
residue id /A:159 name LEU index 122
residue id /A:160 name GLN index 123
residue id /A:161 name LEU index 124
residue id /A:162 name GLU index 125
residue id /A:163 name PRO index 126
residue id /A:164 name ASP index 127
residue id /A:165 name LEU index 128
residue id /A:166 name THR index 129
residue id /A:167 name ASN index 130
residue id /A:168 name VAL index 131
residue id /A:169 name MET index 132
residue id /A:170 name ALA index 133
residue id /A:171 name THR index 134
residue id /A:172 name SER index 135
residue id /A:173 name ARG index 136
residue id /A:174 name LYS index 137
residue id /A:175 name TYR index 138
residue id /A:176 name GLU index 139
residue id /A:177 name ASP index 140
residue id /A:178 name LEU index 141
residue id /A:179 name LEU index 142
residue id /A:180 name TRP index 143
residue id /A:181 name ALA index 144
residue id /A:182 name TRP index 145
residue id /A:183 name GLU index 146
residue id /A:184 name GLY index 147
residue id /A:185 name TRP index 148
residue id /A:186 name ARG index 149
residue id /A:187 name ASP index 150
residue id /A:188 name LYS index 151
residue id /A:189 name ALA index 152
residue id /A:190 name GLY index 153
residue id /A:191 name ARG index 154
residue id /A:192 name ALA index 155
residue id /A:193 name ILE index 156
residue id /A:194 name LEU index 157
residue id /A:195 name GLN index 158
residue id /A:196 name PHE index 159
residue id /A:197 name TYR index 160
residue id /A:198 name PRO index 161
residue id /A:199 name LYS index 162
residue id /A:200 name TYR index 163
residue id /A:201 name VAL index 164
residue id /A:202 name GLU index 165
residue id /A:203 name LEU index 166
residue id /A:204 name ILE index 167
residue id /A:205 name ASN index 168
residue id /A:206 name GLN index 169
residue id /A:207 name ALA index 170
residue id /A:208 name ALA index 171
residue id /A:209 name ARG index 172
residue id /A:210 name LEU index 173
residue id /A:211 name ASN index 174
residue id /A:212 name GLY index 175
residue id /A:213 name TYR index 176
residue id /A:214 name VAL index 177
residue id /A:215 name ASP index 178
residue id /A:216 name ALA index 179
residue id /A:217 name GLY index 180
residue id /A:218 name ASP index 181
residue id /A:219 name SER index 182
residue id /A:220 name TRP index 183
residue id /A:221 name ARG index 184
residue id /A:222 name SER index 185
residue id /A:223 name MET index 186
residue id /A:224 name TYR index 187
residue id /A:225 name GLU index 188
residue id /A:226 name THR index 189
residue id /A:227 name PRO index 190
residue id /A:228 name SER index 191
residue id /A:229 name LEU index 192
residue id /A:230 name GLU index 193
residue id /A:231 name GLN index 194
residue id /A:232 name ASP index 195
residue id /A:233 name LEU index 196
residue id /A:234 name GLU index 197
residue id /A:235 name ARG index 198
residue id /A:236 name LEU index 199
residue id /A:237 name PHE index 200
residue id /A:238 name GLN index 201
residue id /A:239 name GLU index 202
residue id /A:240 name LEU index 203
residue id /A:241 name GLN index 204
residue id /A:242 name PRO index 205
residue id /A:243 name LEU index 206
residue id /A:244 name TYR index 207
residue id /A:245 name LEU index 208
residue id /A:246 name ASN index 209
residue id /A:247 name LEU index 210
residue id /A:248 name HIS index 211
residue id /A:249 name ALA index 212
residue id /A:250 name TYR index 213
residue id /A:251 name VAL index 214
residue id /A:252 name ARG index 215
residue id /A:253 name ARG index 216
residue id /A:254 name ALA index 217
residue id /A:255 name LEU index 218
residue id /A:256 name HIS index 219
residue id /A:257 name ARG index 220
residue id /A:258 name HIS index 221
residue id /A:259 name TYR index 222
residue id /A:260 name GLY index 223
residue id /A:261 name ALA index 224
residue id /A:262 name GLN index 225
residue id /A:263 name HIS index 226
residue id /A:264 name ILE index 227
residue id /A:265 name ASN index 228
residue id /A:266 name LEU index 229
residue id /A:267 name GLU index 230
residue id /A:268 name GLY index 231
residue id /A:269 name PRO index 232
residue id /A:270 name ILE index 233
residue id /A:271 name PRO index 234
residue id /A:272 name ALA index 235
residue id /A:273 name HIS index 236
residue id /A:274 name LEU index 237
residue id /A:275 name LEU index 238
residue id /A:276 name GLY index 239
residue id /A:277 name ASN index 240
residue id /A:278 name MET index 241
residue id /A:279 name TRP index 242
residue id /A:280 name ALA index 243
residue id /A:281 name GLN index 244
residue id /A:282 name THR index 245
residue id /A:283 name TRP index 246
residue id /A:284 name SER index 247
residue id /A:285 name ASN index 248
residue id /A:286 name ILE index 249
residue id /A:287 name TYR index 250
residue id /A:288 name ASP index 251
residue id /A:289 name LEU index 252
residue id /A:290 name VAL index 253
residue id /A:291 name VAL index 254
residue id /A:292 name PRO index 255
residue id /A:293 name PHE index 256
residue id /A:294 name PRO index 257
residue id /A:295 name SER index 258
residue id /A:296 name ALA index 259
residue id /A:297 name PRO index 260
residue id /A:298 name SER index 261
residue id /A:299 name MET index 262
residue id /A:300 name ASP index 263
residue id /A:301 name THR index 264
residue id /A:302 name THR index 265
residue id /A:303 name GLU index 266
residue id /A:304 name ALA index 267
residue id /A:305 name MET index 268
residue id /A:306 name LEU index 269
residue id /A:307 name LYS index 270
residue id /A:308 name GLN index 271
residue id /A:309 name GLY index 272
residue id /A:310 name TRP index 273
residue id /A:311 name THR index 274
residue id /A:312 name PRO index 275
residue id /A:313 name ARG index 276
residue id /A:314 name ARG index 277
residue id /A:315 name MET index 278
residue id /A:316 name PHE index 279
residue id /A:317 name LYS index 280
residue id /A:318 name GLU index 281
residue id /A:319 name ALA index 282
residue id /A:320 name ASP index 283
residue id /A:321 name ASP index 284
residue id /A:322 name PHE index 285
residue id /A:323 name PHE index 286
residue id /A:324 name THR index 287
residue id /A:325 name SER index 288
residue id /A:326 name LEU index 289
residue id /A:327 name GLY index 290
residue id /A:328 name LEU index 291
residue id /A:329 name LEU index 292
residue id /A:330 name PRO index 293
residue id /A:331 name VAL index 294
residue id /A:332 name PRO index 295
residue id /A:333 name PRO index 296
residue id /A:334 name GLU index 297
residue id /A:335 name PHE index 298
residue id /A:336 name TRP index 299
residue id /A:337 name ASN index 300
residue id /A:338 name LYS index 301
residue id /A:339 name SER index 302
residue id /A:340 name MET index 303
residue id /A:341 name LEU index 304
residue id /A:342 name GLU index 305
residue id /A:343 name LYS index 306
residue id /A:344 name PRO index 307
residue id /A:345 name THR index 308
residue id /A:346 name ASP index 309
residue id /A:347 name GLY index 310
residue id /A:348 name ARG index 311
residue id /A:349 name GLU index 312
residue id /A:350 name VAL index 313
residue id /A:351 name VAL index 314
residue id /A:352 name CYS index 315
residue id /A:353 name HIS index 316
residue id /A:354 name ALA index 317
residue id /A:355 name SER index 318
residue id /A:356 name ALA index 319
residue id /A:357 name TRP index 320
residue id /A:358 name ASP index 321
residue id /A:359 name PHE index 322
residue id /A:360 name TYR index 323
residue id /A:361 name ASN index 324
residue id /A:362 name GLY index 325
residue id /A:363 name LYS index 326
residue id /A:364 name ASP index 327
residue id /A:365 name PHE index 328
residue id /A:366 name ARG index 329
residue id /A:367 name ILE index 330
residue id /A:368 name LYS index 331
residue id /A:369 name GLN index 332
residue id /A:370 name CYS index 333
residue id /A:371 name THR index 334
residue id /A:372 name THR index 335
residue id /A:373 name VAL index 336
residue id /A:374 name ASN index 337
residue id /A:375 name LEU index 338
residue id /A:376 name GLU index 339
residue id /A:377 name ASP index 340
residue id /A:378 name LEU index 341
residue id /A:379 name VAL index 342
residue id /A:380 name VAL index 343
residue id /A:381 name ALA index 344
residue id /A:382 name HIS index 345
residue id /A:383 name HIS index 346
residue id /A:384 name GLU index 347
residue id /A:385 name MET index 348
residue id /A:386 name GLY index 349
residue id /A:387 name HIS index 350
residue id /A:388 name ILE index 351
residue id /A:389 name GLN index 352
residue id /A:390 name TYR index 353
residue id /A:391 name PHE index 354
residue id /A:392 name MET index 355
residue id /A:393 name GLN index 356
residue id /A:394 name TYR index 357
residue id /A:395 name LYS index 358
residue id /A:396 name ASP index 359
residue id /A:397 name LEU index 360
residue id /A:398 name PRO index 361
residue id /A:399 name VAL index 362
residue id /A:400 name ALA index 363
residue id /A:401 name LEU index 364
residue id /A:402 name ARG index 365
residue id /A:403 name GLU index 366
residue id /A:404 name GLY index 367
residue id /A:405 name ALA index 368
residue id /A:406 name ASN index 369
residue id /A:407 name PRO index 370
residue id /A:408 name GLY index 371
residue id /A:409 name PHE index 372
residue id /A:410 name HIS index 373
residue id /A:411 name GLU index 374
residue id /A:412 name ALA index 375
residue id /A:413 name ILE index 376
residue id /A:414 name GLY index 377
residue id /A:415 name ASP index 378
residue id /A:416 name VAL index 379
residue id /A:417 name LEU index 380
residue id /A:418 name ALA index 381
residue id /A:419 name LEU index 382
residue id /A:420 name SER index 383
residue id /A:421 name VAL index 384
residue id /A:422 name SER index 385
residue id /A:423 name THR index 386
residue id /A:424 name PRO index 387
residue id /A:425 name LYS index 388
residue id /A:426 name HIS index 389
residue id /A:427 name LEU index 390
residue id /A:428 name HIS index 391
residue id /A:429 name SER index 392
residue id /A:430 name LEU index 393
residue id /A:431 name ASN index 394
residue id /A:432 name LEU index 395
residue id /A:433 name LEU index 396
residue id /A:434 name SER index 397
residue id /A:439 name SER index 402
residue id /A:440 name ASP index 403
residue id /A:441 name GLU index 404
residue id /A:442 name HIS index 405
residue id /A:443 name ASP index 406
residue id /A:444 name ILE index 407
residue id /A:445 name ASN index 408
residue id /A:446 name PHE index 409
residue id /A:447 name LEU index 410
residue id /A:448 name MET index 411
residue id /A:449 name LYS index 412
residue id /A:450 name MET index 413
residue id /A:451 name ALA index 414
residue id /A:452 name LEU index 415
residue id /A:453 name ASP index 416
residue id /A:454 name LYS index 417
residue id /A:455 name ILE index 418
residue id /A:456 name ALA index 419
residue id /A:457 name PHE index 420
residue id /A:458 name ILE index 421
residue id /A:459 name PRO index 422
residue id /A:460 name PHE index 423
residue id /A:461 name SER index 424
residue id /A:462 name TYR index 425
residue id /A:463 name LEU index 426
residue id /A:464 name VAL index 427
residue id /A:465 name ASP index 428
residue id /A:466 name GLN index 429
residue id /A:467 name TRP index 430
residue id /A:468 name ARG index 431
residue id /A:469 name TRP index 432
residue id /A:470 name ARG index 433
residue id /A:471 name VAL index 434
residue id /A:472 name PHE index 435
residue id /A:473 name ASP index 436
residue id /A:474 name GLY index 437
residue id /A:475 name SER index 438
residue id /A:476 name ILE index 439
residue id /A:477 name THR index 440
residue id /A:478 name LYS index 441
residue id /A:479 name GLU index 442
residue id /A:480 name ASN index 443
residue id /A:481 name TYR index 444
residue id /A:482 name ASN index 445
residue id /A:483 name GLN index 446
residue id /A:484 name GLU index 447
residue id /A:485 name TRP index 448
residue id /A:486 name TRP index 449
residue id /A:487 name SER index 450
residue id /A:488 name LEU index 451
residue id /A:489 name ARG index 452
residue id /A:490 name LEU index 453
residue id /A:491 name LYS index 454
residue id /A:492 name TYR index 455
residue id /A:493 name GLN index 456
residue id /A:494 name GLY index 457
residue id /A:495 name LEU index 458
residue id /A:496 name CYS index 459
residue id /A:497 name PRO index 460
residue id /A:498 name PRO index 461
residue id /A:499 name VAL index 462
residue id /A:500 name PRO index 463
residue id /A:501 name ARG index 464
residue id /A:502 name THR index 465
residue id /A:503 name GLN index 466
residue id /A:504 name GLY index 467
residue id /A:505 name ASP index 468
residue id /A:506 name PHE index 469
residue id /A:507 name ASP index 470
residue id /A:508 name PRO index 471
residue id /A:509 name GLY index 472
residue id /A:510 name ALA index 473
residue id /A:511 name LYS index 474
residue id /A:512 name PHE index 475
residue id /A:513 name HIS index 476
residue id /A:514 name ILE index 477
residue id /A:515 name PRO index 478
residue id /A:516 name SER index 479
residue id /A:517 name SER index 480
residue id /A:518 name VAL index 481
residue id /A:519 name PRO index 482
residue id /A:520 name TYR index 483
residue id /A:521 name ILE index 484
residue id /A:522 name ARG index 485
residue id /A:523 name TYR index 486
residue id /A:524 name PHE index 487
residue id /A:525 name VAL index 488
residue id /A:526 name SER index 489
residue id /A:527 name PHE index 490
residue id /A:528 name ILE index 491
residue id /A:529 name ILE index 492
residue id /A:530 name GLN index 493
residue id /A:531 name PHE index 494
residue id /A:532 name GLN index 495
residue id /A:533 name PHE index 496
residue id /A:534 name HIS index 497
residue id /A:535 name GLU index 498
residue id /A:536 name ALA index 499
residue id /A:537 name LEU index 500
residue id /A:538 name CYS index 501
residue id /A:539 name GLN index 502
residue id /A:540 name ALA index 503
residue id /A:541 name ALA index 504
residue id /A:542 name GLY index 505
residue id /A:543 name HIS index 506
residue id /A:544 name THR index 507
residue id /A:545 name GLY index 508
residue id /A:546 name PRO index 509
residue id /A:547 name LEU index 510
residue id /A:548 name HIS index 511
residue id /A:549 name LYS index 512
residue id /A:550 name CYS index 513
residue id /A:551 name ASP index 514
residue id /A:552 name ILE index 515
residue id /A:553 name TYR index 516
residue id /A:554 name GLN index 517
residue id /A:555 name SER index 518
residue id /A:556 name LYS index 519
residue id /A:557 name GLU index 520
residue id /A:558 name ALA index 521
residue id /A:559 name GLY index 522
residue id /A:560 name GLN index 523
residue id /A:561 name ARG index 524
residue id /A:562 name LEU index 525
residue id /A:563 name ALA index 526
residue id /A:564 name THR index 527
residue id /A:565 name ALA index 528
residue id /A:566 name MET index 529
residue id /A:567 name LYS index 530
residue id /A:568 name LEU index 531
residue id /A:569 name GLY index 532
residue id /A:570 name PHE index 533
residue id /A:571 name SER index 534
residue id /A:572 name ARG index 535
residue id /A:573 name PRO index 536
residue id /A:574 name TRP index 537
residue id /A:575 name PRO index 538
residue id /A:576 name GLU index 539
residue id /A:577 name ALA index 540
residue id /A:578 name MET index 541
residue id /A:579 name GLN index 542
residue id /A:580 name LEU index 543
residue id /A:581 name ILE index 544
residue id /A:582 name THR index 545
residue id /A:583 name GLY index 546
residue id /A:584 name GLN index 547
residue id /A:585 name PRO index 548
residue id /A:586 name ASN index 549
residue id /A:587 name MET index 550
residue id /A:588 name SER index 551
residue id /A:589 name ALA index 552
residue id /A:590 name SER index 553
residue id /A:591 name ALA index 554
residue id /A:592 name MET index 555
residue id /A:593 name LEU index 556
residue id /A:594 name SER index 557
residue id /A:595 name TYR index 558
residue id /A:596 name PHE index 559
residue id /A:597 name LYS index 560
residue id /A:598 name PRO index 561
residue id /A:599 name LEU index 562
residue id /A:600 name LEU index 563
residue id /A:601 name ASP index 564
residue id /A:602 name TRP index 565
residue id /A:603 name LEU index 566
residue id /A:604 name ARG index 567
residue id /A:605 name THR index 568
residue id /A:606 name GLU index 569
residue id /A:607 name ASN index 570
residue id /A:608 name GLU index 571
residue id /A:609 name LEU index 572
residue id /A:610 name HIS index 573
residue id /A:611 name GLY index 574
residue id /A:612 name GLU index 575
residue id /A:613 name LYS index 576
residue id /A:614 name LEU index 577
residue id /A:615 name GLY index 578
residue id /A:616 name TRP index 579
residue id /A:617 name PRO index 580
residue id /A:618 name GLN index 581
residue id /A:2000 name GLY
residue id /A:701 name ZN
residue id /A:702 name LPR
residue id /A:703 name CL
residue id /A:704 name CL
residue id /A:2001 name HOH
residue id /A:2002 name HOH
residue id /A:2003 name HOH
residue id /A:2004 name HOH
residue id /A:2005 name HOH
residue id /A:2006 name HOH
residue id /A:2007 name HOH
residue id /A:2008 name HOH
residue id /A:2009 name HOH
residue id /A:2010 name HOH
residue id /A:2011 name HOH
residue id /A:2012 name HOH
residue id /A:2013 name HOH
residue id /A:2014 name HOH
residue id /A:2015 name HOH
residue id /A:2016 name HOH
residue id /A:2017 name HOH
residue id /A:2018 name HOH
residue id /A:2019 name HOH
residue id /A:2020 name HOH
residue id /A:2021 name HOH
residue id /A:2022 name HOH
residue id /A:2023 name HOH
residue id /A:2024 name HOH
residue id /A:2025 name HOH
residue id /A:2026 name HOH
residue id /A:2027 name HOH
residue id /A:2028 name HOH
residue id /A:2029 name HOH
residue id /A:2030 name HOH
residue id /A:2031 name HOH
residue id /A:2032 name HOH
residue id /A:2033 name HOH
residue id /A:2034 name HOH
residue id /A:2035 name HOH
residue id /A:2036 name HOH
residue id /A:2037 name HOH
residue id /A:2038 name HOH
residue id /A:2039 name HOH
residue id /A:2040 name HOH
residue id /A:2041 name HOH
residue id /A:2042 name HOH
residue id /A:2043 name HOH
residue id /A:2044 name HOH
residue id /A:2045 name HOH
residue id /A:2046 name HOH
residue id /A:2047 name HOH
residue id /A:2048 name HOH
residue id /A:2049 name HOH
residue id /A:2050 name HOH
residue id /A:2051 name HOH
residue id /A:2052 name HOH
residue id /A:2053 name HOH
residue id /A:2054 name HOH
residue id /A:2055 name HOH
residue id /A:2056 name HOH
residue id /A:2057 name HOH
residue id /A:2058 name HOH
residue id /A:2059 name HOH
residue id /A:2060 name HOH
residue id /A:2061 name HOH
residue id /A:2062 name HOH
residue id /A:2063 name HOH
residue id /A:2064 name HOH
residue id /A:2065 name HOH
residue id /A:2066 name HOH
residue id /A:2067 name HOH
residue id /A:2068 name HOH
residue id /A:2069 name HOH
residue id /A:2070 name HOH
residue id /A:2071 name HOH
residue id /A:2072 name HOH
residue id /A:2073 name HOH
residue id /A:2074 name HOH
residue id /A:2075 name HOH
residue id /A:2076 name HOH
residue id /A:2077 name HOH
residue id /A:2078 name HOH
residue id /A:2079 name HOH
residue id /A:2080 name HOH
residue id /A:2081 name HOH
residue id /A:2082 name HOH
residue id /A:2083 name HOH
residue id /A:2084 name HOH
residue id /A:2085 name HOH
residue id /A:2086 name HOH
residue id /A:2087 name HOH
residue id /A:2088 name HOH
residue id /A:2089 name HOH
residue id /A:2090 name HOH
residue id /A:2091 name HOH
residue id /A:2092 name HOH
residue id /A:2093 name HOH
residue id /A:2094 name HOH
residue id /A:2095 name HOH
residue id /A:2096 name HOH
residue id /A:2097 name HOH
residue id /A:2098 name HOH
residue id /A:2099 name HOH
residue id /A:2100 name HOH
residue id /A:2101 name HOH
residue id /A:2102 name HOH
residue id /A:2103 name HOH
residue id /A:2104 name HOH
residue id /A:2105 name HOH
residue id /A:2106 name HOH
residue id /A:2107 name HOH
residue id /A:2108 name HOH
residue id /A:2109 name HOH
residue id /A:2110 name HOH
residue id /A:2111 name HOH
residue id /A:2112 name HOH
residue id /A:2113 name HOH
residue id /A:2114 name HOH
residue id /A:2115 name HOH
residue id /A:2116 name HOH
residue id /A:2117 name HOH
residue id /A:2118 name HOH
residue id /A:2119 name HOH
residue id /A:2120 name HOH
residue id /A:2121 name HOH
residue id /A:2122 name HOH
residue id /A:2123 name HOH
residue id /A:2124 name HOH
residue id /A:2125 name HOH
residue id /A:2126 name HOH
residue id /A:2127 name HOH
residue id /A:2128 name HOH
residue id /A:2129 name HOH
residue id /A:2130 name HOH
residue id /A:2131 name HOH
residue id /A:2132 name HOH
residue id /A:2133 name HOH
residue id /A:2134 name HOH
residue id /A:2135 name HOH
residue id /A:2136 name HOH
residue id /A:2137 name HOH
residue id /A:2138 name HOH
residue id /A:2139 name HOH
residue id /A:2140 name HOH
residue id /A:2141 name HOH
residue id /A:2142 name HOH
residue id /A:2143 name HOH
residue id /A:2144 name HOH
residue id /A:2145 name HOH
residue id /A:2146 name HOH
residue id /A:2147 name HOH
residue id /A:2148 name HOH
residue id /A:2149 name HOH
residue id /A:2150 name HOH
residue id /A:2151 name HOH
residue id /A:2152 name HOH
residue id /A:2153 name HOH
residue id /A:2154 name HOH
residue id /A:2155 name HOH
residue id /A:2156 name HOH
residue id /A:2157 name HOH
residue id /A:2158 name HOH
residue id /A:2159 name HOH
residue id /A:2160 name HOH
residue id /A:2161 name HOH
residue id /A:2162 name HOH
residue id /A:2163 name HOH
residue id /A:2164 name HOH
residue id /A:2165 name HOH
residue id /A:2166 name HOH
residue id /A:2167 name HOH
residue id /A:2168 name HOH
residue id /A:2169 name HOH
residue id /A:2170 name HOH
residue id /A:2171 name HOH
residue id /A:2172 name HOH
residue id /A:2173 name HOH
residue id /A:2174 name HOH
residue id /A:2175 name HOH
residue id /A:2176 name HOH
residue id /A:2177 name HOH
residue id /A:2178 name HOH
residue id /A:2179 name HOH
residue id /A:2180 name HOH
residue id /A:2181 name HOH
residue id /A:2182 name HOH
residue id /A:2183 name HOH
residue id /A:2184 name HOH
residue id /A:2185 name HOH
residue id /A:2186 name HOH
residue id /A:2187 name HOH
residue id /A:2188 name HOH
residue id /A:2189 name HOH
residue id /A:2190 name HOH
residue id /A:2191 name HOH
residue id /A:2192 name HOH
residue id /A:2193 name HOH
residue id /A:2194 name HOH
residue id /A:2195 name HOH
residue id /A:2196 name HOH
residue id /A:2197 name HOH
residue id /A:2198 name HOH
residue id /A:2199 name HOH
residue id /A:2200 name HOH
residue id /A:2201 name HOH
residue id /A:2202 name HOH
residue id /A:2203 name HOH
residue id /A:2204 name HOH
residue id /A:2205 name HOH
residue id /A:2206 name HOH
residue id /A:2207 name HOH
residue id /A:2208 name HOH
residue id /A:2209 name HOH
residue id /A:2210 name HOH
residue id /A:2211 name HOH
residue id /A:2212 name HOH
residue id /A:2213 name HOH
residue id /A:2214 name HOH
residue id /A:2215 name HOH
residue id /A:2216 name HOH
residue id /A:2217 name HOH
residue id /A:2218 name HOH
residue id /A:2219 name HOH
residue id /A:2220 name HOH
residue id /A:2221 name HOH
residue id /A:2222 name HOH
residue id /A:2223 name HOH
residue id /A:2224 name HOH
residue id /A:2225 name HOH
residue id /A:2226 name HOH
residue id /A:2227 name HOH
residue id /A:2228 name HOH
residue id /A:2229 name HOH
residue id /A:2230 name HOH
residue id /A:2231 name HOH
residue id /A:2232 name HOH
residue id /A:2233 name HOH
residue id /A:2234 name HOH
residue id /A:2235 name HOH
residue id /A:2236 name HOH
residue id /A:2237 name HOH
residue id /A:2238 name HOH
residue id /A:2239 name HOH
residue id /A:2240 name HOH
residue id /A:2241 name HOH
residue id /A:2242 name HOH
residue id /A:2243 name HOH
residue id /A:2244 name HOH
residue id /A:2245 name HOH
residue id /A:2246 name HOH
residue id /A:2247 name HOH
residue id /A:2248 name HOH
residue id /A:2249 name HOH
residue id /A:2250 name HOH
residue id /A:2251 name HOH
residue id /A:2252 name HOH
residue id /A:2253 name HOH
residue id /A:2254 name HOH
residue id /A:2255 name HOH
residue id /A:2256 name HOH
residue id /A:2257 name HOH
residue id /A:2258 name HOH
residue id /A:2259 name HOH
residue id /A:2260 name HOH
residue id /A:2261 name HOH
residue id /A:2262 name HOH
residue id /A:2263 name HOH
residue id /A:2264 name HOH
residue id /A:2265 name HOH
residue id /A:2266 name HOH
residue id /A:2267 name HOH
residue id /A:2268 name HOH
residue id /A:2269 name HOH
residue id /A:2270 name HOH
residue id /A:2271 name HOH
residue id /A:2272 name HOH
residue id /A:2273 name HOH
residue id /A:2274 name HOH
residue id /A:2275 name HOH
residue id /A:2276 name HOH
residue id /A:2277 name HOH
residue id /A:2278 name HOH
residue id /A:2279 name HOH
residue id /A:2280 name HOH
residue id /A:2281 name HOH
residue id /A:2282 name HOH
residue id /A:2283 name HOH
residue id /A:2284 name HOH
residue id /A:2285 name HOH
residue id /A:2286 name HOH
residue id /A:2287 name HOH
residue id /A:2288 name HOH
residue id /A:2289 name HOH
residue id /A:2290 name HOH
residue id /A:2291 name HOH
residue id /A:2292 name HOH
residue id /A:2293 name HOH
residue id /A:2294 name HOH
residue id /A:2295 name HOH
residue id /A:2296 name HOH
residue id /A:2297 name HOH
residue id /A:2298 name HOH
residue id /A:2299 name HOH
residue id /A:2300 name HOH
residue id /A:2301 name HOH
residue id /A:2302 name HOH
residue id /A:2303 name HOH
residue id /A:2304 name HOH
residue id /A:2305 name HOH
residue id /A:2306 name HOH
residue id /A:2307 name HOH
residue id /A:2308 name HOH
residue id /A:2309 name HOH
residue id /A:2310 name HOH
residue id /A:2311 name HOH
residue id /A:2312 name HOH
residue id /A:2313 name HOH
residue id /A:2314 name HOH
residue id /A:2315 name HOH
residue id /A:2316 name HOH
residue id /A:2317 name HOH
residue id /A:2318 name HOH
residue id /A:2319 name HOH
residue id /A:2320 name HOH
residue id /A:2321 name HOH
residue id /A:2322 name HOH
residue id /A:2323 name HOH
residue id /A:2324 name HOH
residue id /A:2325 name HOH
residue id /A:2326 name HOH
residue id /A:2327 name HOH
residue id /A:2328 name HOH
residue id /A:2329 name HOH
residue id /A:2330 name HOH
residue id /A:2331 name HOH
residue id /A:2332 name HOH
residue id /A:2333 name HOH
residue id /A:2334 name HOH
residue id /A:2335 name HOH
residue id /A:2336 name HOH
residue id /A:2337 name HOH
residue id /A:2338 name HOH
residue id /A:2339 name HOH
residue id /A:2340 name HOH
residue id /A:2341 name HOH
residue id /A:2342 name HOH
residue id /A:2343 name HOH
residue id /A:2344 name HOH
residue id /A:2345 name HOH
residue id /A:2346 name HOH
residue id /A:2347 name HOH
residue id /A:2348 name HOH
residue id /A:2349 name HOH
residue id /A:2350 name HOH
residue id /A:2351 name HOH
residue id /A:2352 name HOH
residue id /A:2353 name HOH
residue id /A:2354 name HOH
residue id /A:2355 name HOH
residue id /A:2356 name HOH
residue id /A:2357 name HOH
residue id /A:2358 name HOH
residue id /A:2359 name HOH
residue id /A:2360 name HOH
residue id /A:2361 name HOH
residue id /A:2362 name HOH
residue id /A:2363 name HOH
residue id /A:2364 name HOH
residue id /A:2365 name HOH
residue id /A:2366 name HOH
residue id /A:2367 name HOH
residue id /A:2368 name HOH
residue id /A:2369 name HOH
residue id /A:2370 name HOH
residue id /A:2371 name HOH
residue id /A:2372 name HOH
residue id /A:2373 name HOH
residue id /A:2374 name HOH
residue id /A:2375 name HOH
residue id /A:2376 name HOH
residue id /A:2377 name HOH
residue id /A:2378 name HOH
residue id /A:2379 name HOH
residue id /A:2380 name HOH
residue id /A:2381 name HOH
residue id /A:2382 name HOH
residue id /A:2383 name HOH
residue id /A:2384 name HOH
residue id /A:2385 name HOH
residue id /A:2386 name HOH
residue id /A:2387 name HOH
residue id /A:2388 name HOH
residue id /A:2389 name HOH
residue id /A:2390 name HOH
residue id /A:2391 name HOH
residue id /A:2392 name HOH
residue id /A:2393 name HOH
residue id /A:2394 name HOH
residue id /A:2395 name HOH
residue id /A:2396 name HOH
residue id /A:2397 name HOH
residue id /A:2398 name HOH
residue id /A:2399 name HOH
residue id /A:2400 name HOH
residue id /A:2401 name HOH
residue id /A:2402 name HOH
residue id /A:2403 name HOH
residue id /A:2404 name HOH
residue id /A:2405 name HOH
residue id /A:2406 name HOH
residue id /A:2407 name HOH
residue id /A:2408 name HOH
residue id /A:2409 name HOH
residue id /A:2410 name HOH
residue id /A:2411 name HOH
residue id /A:2412 name HOH
residue id /A:2413 name HOH
residue id /A:2414 name HOH
residue id /A:2415 name HOH
residue id /A:2416 name HOH
residue id /A:2417 name HOH
residue id /A:2418 name HOH
residue id /A:2419 name HOH
residue id /A:2420 name HOH
residue id /A:2421 name HOH
residue id /A:2422 name HOH
residue id /A:2423 name HOH
residue id /A:2424 name HOH
residue id /A:2425 name HOH
residue id /A:2426 name HOH
residue id /A:2427 name HOH
residue id /A:2428 name HOH
residue id /A:2429 name HOH
residue id /A:2430 name HOH
residue id /A:2431 name HOH
residue id /A:2432 name HOH
residue id /A:2433 name HOH
residue id /A:2434 name HOH
residue id /A:2435 name HOH
residue id /A:2436 name HOH
residue id /A:2437 name HOH
residue id /A:2438 name HOH
residue id /A:2439 name HOH
residue id /A:2440 name HOH
residue id /A:2441 name HOH
residue id /A:2442 name HOH
residue id /A:2443 name HOH
residue id /A:2444 name HOH
residue id /A:2445 name HOH
residue id /A:2446 name HOH
residue id /A:2447 name HOH
residue id /A:2448 name HOH
residue id /A:2449 name HOH
residue id /A:2450 name HOH
residue id /A:2451 name HOH
residue id /A:2452 name HOH
residue id /A:2453 name HOH
residue id /A:2454 name HOH
residue id /A:2455 name HOH
residue id /A:2456 name HOH
residue id /A:2457 name HOH
residue id /A:2458 name HOH
residue id /A:2459 name HOH
residue id /A:2460 name HOH
residue id /A:2461 name HOH
residue id /A:2462 name HOH
residue id /A:2463 name HOH
residue id /A:2464 name HOH
residue id /A:2465 name HOH
residue id /A:2466 name HOH
residue id /A:2467 name HOH
residue id /A:2468 name HOH
residue id /A:2469 name HOH
residue id /A:2470 name HOH
residue id /A:2471 name HOH
residue id /A:2472 name HOH
residue id /A:2473 name HOH
residue id /A:2474 name HOH
residue id /A:2475 name HOH
residue id /A:2476 name HOH
residue id /A:2477 name HOH
residue id /A:2478 name HOH
residue id /A:2479 name HOH
residue id /A:2480 name HOH
residue id /A:2481 name HOH
residue id /A:2482 name HOH
residue id /A:2483 name HOH
residue id /A:2484 name HOH
residue id /A:2485 name HOH
residue id /A:2486 name HOH
residue id /A:2487 name HOH
residue id /A:2488 name HOH
residue id /A:2489 name HOH
residue id /A:2490 name HOH
residue id /A:2491 name HOH
residue id /A:2492 name HOH
residue id /A:2493 name HOH
residue id /A:2494 name HOH
residue id /A:2495 name HOH
residue id /A:2496 name HOH
residue id /A:2497 name HOH
residue id /A:2498 name HOH
residue id /A:2499 name HOH
residue id /A:2500 name HOH
residue id /A:2501 name HOH
residue id /A:2502 name HOH
residue id /A:2503 name HOH
residue id /A:2504 name HOH
residue id /A:2505 name HOH
residue id /A:2506 name HOH
residue id /A:2507 name HOH
residue id /A:2508 name HOH
residue id /A:2509 name HOH
residue id /A:2510 name HOH
residue id /A:2511 name HOH
residue id /A:2512 name HOH
residue id /A:2513 name HOH
residue id /A:2514 name HOH
residue id /A:2515 name HOH
residue id /A:2516 name HOH
residue id /A:2517 name HOH
residue id /A:2518 name HOH
residue id /A:2519 name HOH
residue id /A:2520 name HOH
residue id /A:2521 name HOH
residue id /A:2522 name HOH
residue id /A:2523 name HOH
residue id /A:2524 name HOH
residue id /A:2525 name HOH
residue id /A:2526 name HOH
residue id /A:2527 name HOH
residue id /A:2528 name HOH
residue id /A:2529 name HOH
residue id /A:2530 name HOH
residue id /A:2531 name HOH
residue id /A:2532 name HOH
residue id /A:2533 name HOH
residue id /A:2534 name HOH
residue id /A:2535 name HOH
residue id /A:2536 name HOH
residue id /A:2537 name HOH
residue id /A:2538 name HOH
residue id /A:2539 name HOH
residue id /A:2540 name HOH
residue id /A:2541 name HOH
residue id /A:2542 name HOH
residue id /A:2543 name HOH
residue id /A:2544 name HOH
residue id /A:2545 name HOH
residue id /A:2546 name HOH
residue id /A:2547 name HOH
residue id /A:2548 name HOH
residue id /A:2549 name HOH
residue id /A:2550 name HOH
residue id /A:2551 name HOH
residue id /A:2552 name HOH
residue id /A:2553 name HOH
residue id /A:2554 name HOH
residue id /A:2555 name HOH
residue id /A:2556 name HOH
residue id /A:2557 name HOH
residue id /A:2558 name HOH
residue id /A:2559 name HOH
residue id /A:2560 name HOH
residue id /A:2561 name HOH
residue id /A:2562 name HOH
residue id /A:2563 name HOH
residue id /A:2564 name HOH
residue id /A:2565 name HOH
residue id /A:2566 name HOH
residue id /A:2567 name HOH
residue id /A:2568 name HOH
residue id /A:2569 name HOH
residue id /A:2570 name HOH
> info segment
Expected a models specifier or a keyword
> info segments
Expected a models specifier or a keyword
> info chains
chain id /A chain_id A
> info residues
residue id /A:40 name ASP index 3
residue id /A:41 name GLU index 4
residue id /A:42 name ALA index 5
residue id /A:43 name GLU index 6
residue id /A:44 name ALA index 7
residue id /A:45 name SER index 8
residue id /A:46 name LYS index 9
residue id /A:47 name PHE index 10
residue id /A:48 name VAL index 11
residue id /A:49 name GLU index 12
residue id /A:50 name GLU index 13
residue id /A:51 name TYR index 14
residue id /A:52 name ASP index 15
residue id /A:53 name ARG index 16
residue id /A:54 name THR index 17
residue id /A:55 name SER index 18
residue id /A:56 name GLN index 19
residue id /A:57 name VAL index 20
residue id /A:58 name VAL index 21
residue id /A:59 name TRP index 22
residue id /A:60 name ASN index 23
residue id /A:61 name GLU index 24
residue id /A:62 name TYR index 25
residue id /A:63 name ALA index 26
residue id /A:64 name GLU index 27
residue id /A:65 name ALA index 28
residue id /A:66 name ASN index 29
residue id /A:67 name TRP index 30
residue id /A:68 name ASN index 31
residue id /A:69 name TYR index 32
residue id /A:70 name ASN index 33
residue id /A:71 name THR index 34
residue id /A:72 name ASN index 35
residue id /A:73 name ILE index 36
residue id /A:74 name THR index 37
residue id /A:75 name THR index 38
residue id /A:76 name GLU index 39
residue id /A:77 name THR index 40
residue id /A:78 name SER index 41
residue id /A:79 name LYS index 42
residue id /A:80 name ILE index 43
residue id /A:81 name LEU index 44
residue id /A:82 name LEU index 45
residue id /A:83 name GLN index 46
residue id /A:84 name LYS index 47
residue id /A:85 name ASN index 48
residue id /A:86 name MET index 49
residue id /A:87 name GLN index 50
residue id /A:88 name ILE index 51
residue id /A:89 name ALA index 52
residue id /A:90 name ASN index 53
residue id /A:91 name HIS index 54
residue id /A:92 name THR index 55
residue id /A:93 name LEU index 56
residue id /A:94 name LYS index 57
residue id /A:95 name TYR index 58
residue id /A:96 name GLY index 59
residue id /A:97 name THR index 60
residue id /A:98 name GLN index 61
residue id /A:99 name ALA index 62
residue id /A:100 name ARG index 63
residue id /A:101 name LYS index 64
residue id /A:102 name PHE index 65
residue id /A:103 name ASP index 66
residue id /A:104 name VAL index 67
residue id /A:105 name ASN index 68
residue id /A:106 name GLN index 69
residue id /A:107 name LEU index 70
residue id /A:108 name GLN index 71
residue id /A:109 name ASN index 72
residue id /A:110 name THR index 73
residue id /A:111 name THR index 74
residue id /A:112 name ILE index 75
residue id /A:113 name LYS index 76
residue id /A:114 name ARG index 77
residue id /A:115 name ILE index 78
residue id /A:116 name ILE index 79
residue id /A:117 name LYS index 80
residue id /A:118 name LYS index 81
residue id /A:119 name VAL index 82
residue id /A:120 name GLN index 83
residue id /A:121 name ASP index 84
residue id /A:122 name LEU index 85
residue id /A:123 name GLU index 86
residue id /A:124 name ARG index 87
residue id /A:125 name ALA index 88
residue id /A:126 name ALA index 89
residue id /A:127 name LEU index 90
residue id /A:128 name PRO index 91
residue id /A:129 name ALA index 92
residue id /A:130 name GLN index 93
residue id /A:131 name GLU index 94
residue id /A:132 name LEU index 95
residue id /A:133 name GLU index 96
residue id /A:134 name GLU index 97
residue id /A:135 name TYR index 98
residue id /A:136 name ASN index 99
residue id /A:137 name LYS index 100
residue id /A:138 name ILE index 101
residue id /A:139 name LEU index 102
residue id /A:140 name LEU index 103
residue id /A:141 name ASP index 104
residue id /A:142 name MET index 105
residue id /A:143 name GLU index 106
residue id /A:144 name THR index 107
residue id /A:145 name THR index 108
residue id /A:146 name TYR index 109
residue id /A:147 name SER index 110
residue id /A:148 name VAL index 111
residue id /A:149 name ALA index 112
residue id /A:150 name THR index 113
residue id /A:151 name VAL index 114
residue id /A:152 name CYS index 115
residue id /A:153 name HIS index 116
residue id /A:154 name PRO index 117
residue id /A:155 name ASN index 118
residue id /A:156 name GLY index 119
residue id /A:157 name SER index 120
residue id /A:158 name CYS index 121
residue id /A:159 name LEU index 122
residue id /A:160 name GLN index 123
residue id /A:161 name LEU index 124
residue id /A:162 name GLU index 125
residue id /A:163 name PRO index 126
residue id /A:164 name ASP index 127
residue id /A:165 name LEU index 128
residue id /A:166 name THR index 129
residue id /A:167 name ASN index 130
residue id /A:168 name VAL index 131
residue id /A:169 name MET index 132
residue id /A:170 name ALA index 133
residue id /A:171 name THR index 134
residue id /A:172 name SER index 135
residue id /A:173 name ARG index 136
residue id /A:174 name LYS index 137
residue id /A:175 name TYR index 138
residue id /A:176 name GLU index 139
residue id /A:177 name ASP index 140
residue id /A:178 name LEU index 141
residue id /A:179 name LEU index 142
residue id /A:180 name TRP index 143
residue id /A:181 name ALA index 144
residue id /A:182 name TRP index 145
residue id /A:183 name GLU index 146
residue id /A:184 name GLY index 147
residue id /A:185 name TRP index 148
residue id /A:186 name ARG index 149
residue id /A:187 name ASP index 150
residue id /A:188 name LYS index 151
residue id /A:189 name ALA index 152
residue id /A:190 name GLY index 153
residue id /A:191 name ARG index 154
residue id /A:192 name ALA index 155
residue id /A:193 name ILE index 156
residue id /A:194 name LEU index 157
residue id /A:195 name GLN index 158
residue id /A:196 name PHE index 159
residue id /A:197 name TYR index 160
residue id /A:198 name PRO index 161
residue id /A:199 name LYS index 162
residue id /A:200 name TYR index 163
residue id /A:201 name VAL index 164
residue id /A:202 name GLU index 165
residue id /A:203 name LEU index 166
residue id /A:204 name ILE index 167
residue id /A:205 name ASN index 168
residue id /A:206 name GLN index 169
residue id /A:207 name ALA index 170
residue id /A:208 name ALA index 171
residue id /A:209 name ARG index 172
residue id /A:210 name LEU index 173
residue id /A:211 name ASN index 174
residue id /A:212 name GLY index 175
residue id /A:213 name TYR index 176
residue id /A:214 name VAL index 177
residue id /A:215 name ASP index 178
residue id /A:216 name ALA index 179
residue id /A:217 name GLY index 180
residue id /A:218 name ASP index 181
residue id /A:219 name SER index 182
residue id /A:220 name TRP index 183
residue id /A:221 name ARG index 184
residue id /A:222 name SER index 185
residue id /A:223 name MET index 186
residue id /A:224 name TYR index 187
residue id /A:225 name GLU index 188
residue id /A:226 name THR index 189
residue id /A:227 name PRO index 190
residue id /A:228 name SER index 191
residue id /A:229 name LEU index 192
residue id /A:230 name GLU index 193
residue id /A:231 name GLN index 194
residue id /A:232 name ASP index 195
residue id /A:233 name LEU index 196
residue id /A:234 name GLU index 197
residue id /A:235 name ARG index 198
residue id /A:236 name LEU index 199
residue id /A:237 name PHE index 200
residue id /A:238 name GLN index 201
residue id /A:239 name GLU index 202
residue id /A:240 name LEU index 203
residue id /A:241 name GLN index 204
residue id /A:242 name PRO index 205
residue id /A:243 name LEU index 206
residue id /A:244 name TYR index 207
residue id /A:245 name LEU index 208
residue id /A:246 name ASN index 209
residue id /A:247 name LEU index 210
residue id /A:248 name HIS index 211
residue id /A:249 name ALA index 212
residue id /A:250 name TYR index 213
residue id /A:251 name VAL index 214
residue id /A:252 name ARG index 215
residue id /A:253 name ARG index 216
residue id /A:254 name ALA index 217
residue id /A:255 name LEU index 218
residue id /A:256 name HIS index 219
residue id /A:257 name ARG index 220
residue id /A:258 name HIS index 221
residue id /A:259 name TYR index 222
residue id /A:260 name GLY index 223
residue id /A:261 name ALA index 224
residue id /A:262 name GLN index 225
residue id /A:263 name HIS index 226
residue id /A:264 name ILE index 227
residue id /A:265 name ASN index 228
residue id /A:266 name LEU index 229
residue id /A:267 name GLU index 230
residue id /A:268 name GLY index 231
residue id /A:269 name PRO index 232
residue id /A:270 name ILE index 233
residue id /A:271 name PRO index 234
residue id /A:272 name ALA index 235
residue id /A:273 name HIS index 236
residue id /A:274 name LEU index 237
residue id /A:275 name LEU index 238
residue id /A:276 name GLY index 239
residue id /A:277 name ASN index 240
residue id /A:278 name MET index 241
residue id /A:279 name TRP index 242
residue id /A:280 name ALA index 243
residue id /A:281 name GLN index 244
residue id /A:282 name THR index 245
residue id /A:283 name TRP index 246
residue id /A:284 name SER index 247
residue id /A:285 name ASN index 248
residue id /A:286 name ILE index 249
residue id /A:287 name TYR index 250
residue id /A:288 name ASP index 251
residue id /A:289 name LEU index 252
residue id /A:290 name VAL index 253
residue id /A:291 name VAL index 254
residue id /A:292 name PRO index 255
residue id /A:293 name PHE index 256
residue id /A:294 name PRO index 257
residue id /A:295 name SER index 258
residue id /A:296 name ALA index 259
residue id /A:297 name PRO index 260
residue id /A:298 name SER index 261
residue id /A:299 name MET index 262
residue id /A:300 name ASP index 263
residue id /A:301 name THR index 264
residue id /A:302 name THR index 265
residue id /A:303 name GLU index 266
residue id /A:304 name ALA index 267
residue id /A:305 name MET index 268
residue id /A:306 name LEU index 269
residue id /A:307 name LYS index 270
residue id /A:308 name GLN index 271
residue id /A:309 name GLY index 272
residue id /A:310 name TRP index 273
residue id /A:311 name THR index 274
residue id /A:312 name PRO index 275
residue id /A:313 name ARG index 276
residue id /A:314 name ARG index 277
residue id /A:315 name MET index 278
residue id /A:316 name PHE index 279
residue id /A:317 name LYS index 280
residue id /A:318 name GLU index 281
residue id /A:319 name ALA index 282
residue id /A:320 name ASP index 283
residue id /A:321 name ASP index 284
residue id /A:322 name PHE index 285
residue id /A:323 name PHE index 286
residue id /A:324 name THR index 287
residue id /A:325 name SER index 288
residue id /A:326 name LEU index 289
residue id /A:327 name GLY index 290
residue id /A:328 name LEU index 291
residue id /A:329 name LEU index 292
residue id /A:330 name PRO index 293
residue id /A:331 name VAL index 294
residue id /A:332 name PRO index 295
residue id /A:333 name PRO index 296
residue id /A:334 name GLU index 297
residue id /A:335 name PHE index 298
residue id /A:336 name TRP index 299
residue id /A:337 name ASN index 300
residue id /A:338 name LYS index 301
residue id /A:339 name SER index 302
residue id /A:340 name MET index 303
residue id /A:341 name LEU index 304
residue id /A:342 name GLU index 305
residue id /A:343 name LYS index 306
residue id /A:344 name PRO index 307
residue id /A:345 name THR index 308
residue id /A:346 name ASP index 309
residue id /A:347 name GLY index 310
residue id /A:348 name ARG index 311
residue id /A:349 name GLU index 312
residue id /A:350 name VAL index 313
residue id /A:351 name VAL index 314
residue id /A:352 name CYS index 315
residue id /A:353 name HIS index 316
residue id /A:354 name ALA index 317
residue id /A:355 name SER index 318
residue id /A:356 name ALA index 319
residue id /A:357 name TRP index 320
residue id /A:358 name ASP index 321
residue id /A:359 name PHE index 322
residue id /A:360 name TYR index 323
residue id /A:361 name ASN index 324
residue id /A:362 name GLY index 325
residue id /A:363 name LYS index 326
residue id /A:364 name ASP index 327
residue id /A:365 name PHE index 328
residue id /A:366 name ARG index 329
residue id /A:367 name ILE index 330
residue id /A:368 name LYS index 331
residue id /A:369 name GLN index 332
residue id /A:370 name CYS index 333
residue id /A:371 name THR index 334
residue id /A:372 name THR index 335
residue id /A:373 name VAL index 336
residue id /A:374 name ASN index 337
residue id /A:375 name LEU index 338
residue id /A:376 name GLU index 339
residue id /A:377 name ASP index 340
residue id /A:378 name LEU index 341
residue id /A:379 name VAL index 342
residue id /A:380 name VAL index 343
residue id /A:381 name ALA index 344
residue id /A:382 name HIS index 345
residue id /A:383 name HIS index 346
residue id /A:384 name GLU index 347
residue id /A:385 name MET index 348
residue id /A:386 name GLY index 349
residue id /A:387 name HIS index 350
residue id /A:388 name ILE index 351
residue id /A:389 name GLN index 352
residue id /A:390 name TYR index 353
residue id /A:391 name PHE index 354
residue id /A:392 name MET index 355
residue id /A:393 name GLN index 356
residue id /A:394 name TYR index 357
residue id /A:395 name LYS index 358
residue id /A:396 name ASP index 359
residue id /A:397 name LEU index 360
residue id /A:398 name PRO index 361
residue id /A:399 name VAL index 362
residue id /A:400 name ALA index 363
residue id /A:401 name LEU index 364
residue id /A:402 name ARG index 365
residue id /A:403 name GLU index 366
residue id /A:404 name GLY index 367
residue id /A:405 name ALA index 368
residue id /A:406 name ASN index 369
residue id /A:407 name PRO index 370
residue id /A:408 name GLY index 371
residue id /A:409 name PHE index 372
residue id /A:410 name HIS index 373
residue id /A:411 name GLU index 374
residue id /A:412 name ALA index 375
residue id /A:413 name ILE index 376
residue id /A:414 name GLY index 377
residue id /A:415 name ASP index 378
residue id /A:416 name VAL index 379
residue id /A:417 name LEU index 380
residue id /A:418 name ALA index 381
residue id /A:419 name LEU index 382
residue id /A:420 name SER index 383
residue id /A:421 name VAL index 384
residue id /A:422 name SER index 385
residue id /A:423 name THR index 386
residue id /A:424 name PRO index 387
residue id /A:425 name LYS index 388
residue id /A:426 name HIS index 389
residue id /A:427 name LEU index 390
residue id /A:428 name HIS index 391
residue id /A:429 name SER index 392
residue id /A:430 name LEU index 393
residue id /A:431 name ASN index 394
residue id /A:432 name LEU index 395
residue id /A:433 name LEU index 396
residue id /A:434 name SER index 397
residue id /A:439 name SER index 402
residue id /A:440 name ASP index 403
residue id /A:441 name GLU index 404
residue id /A:442 name HIS index 405
residue id /A:443 name ASP index 406
residue id /A:444 name ILE index 407
residue id /A:445 name ASN index 408
residue id /A:446 name PHE index 409
residue id /A:447 name LEU index 410
residue id /A:448 name MET index 411
residue id /A:449 name LYS index 412
residue id /A:450 name MET index 413
residue id /A:451 name ALA index 414
residue id /A:452 name LEU index 415
residue id /A:453 name ASP index 416
residue id /A:454 name LYS index 417
residue id /A:455 name ILE index 418
residue id /A:456 name ALA index 419
residue id /A:457 name PHE index 420
residue id /A:458 name ILE index 421
residue id /A:459 name PRO index 422
residue id /A:460 name PHE index 423
residue id /A:461 name SER index 424
residue id /A:462 name TYR index 425
residue id /A:463 name LEU index 426
residue id /A:464 name VAL index 427
residue id /A:465 name ASP index 428
residue id /A:466 name GLN index 429
residue id /A:467 name TRP index 430
residue id /A:468 name ARG index 431
residue id /A:469 name TRP index 432
residue id /A:470 name ARG index 433
residue id /A:471 name VAL index 434
residue id /A:472 name PHE index 435
residue id /A:473 name ASP index 436
residue id /A:474 name GLY index 437
residue id /A:475 name SER index 438
residue id /A:476 name ILE index 439
residue id /A:477 name THR index 440
residue id /A:478 name LYS index 441
residue id /A:479 name GLU index 442
residue id /A:480 name ASN index 443
residue id /A:481 name TYR index 444
residue id /A:482 name ASN index 445
residue id /A:483 name GLN index 446
residue id /A:484 name GLU index 447
residue id /A:485 name TRP index 448
residue id /A:486 name TRP index 449
residue id /A:487 name SER index 450
residue id /A:488 name LEU index 451
residue id /A:489 name ARG index 452
residue id /A:490 name LEU index 453
residue id /A:491 name LYS index 454
residue id /A:492 name TYR index 455
residue id /A:493 name GLN index 456
residue id /A:494 name GLY index 457
residue id /A:495 name LEU index 458
residue id /A:496 name CYS index 459
residue id /A:497 name PRO index 460
residue id /A:498 name PRO index 461
residue id /A:499 name VAL index 462
residue id /A:500 name PRO index 463
residue id /A:501 name ARG index 464
residue id /A:502 name THR index 465
residue id /A:503 name GLN index 466
residue id /A:504 name GLY index 467
residue id /A:505 name ASP index 468
residue id /A:506 name PHE index 469
residue id /A:507 name ASP index 470
residue id /A:508 name PRO index 471
residue id /A:509 name GLY index 472
residue id /A:510 name ALA index 473
residue id /A:511 name LYS index 474
residue id /A:512 name PHE index 475
residue id /A:513 name HIS index 476
residue id /A:514 name ILE index 477
residue id /A:515 name PRO index 478
residue id /A:516 name SER index 479
residue id /A:517 name SER index 480
residue id /A:518 name VAL index 481
residue id /A:519 name PRO index 482
residue id /A:520 name TYR index 483
residue id /A:521 name ILE index 484
residue id /A:522 name ARG index 485
residue id /A:523 name TYR index 486
residue id /A:524 name PHE index 487
residue id /A:525 name VAL index 488
residue id /A:526 name SER index 489
residue id /A:527 name PHE index 490
residue id /A:528 name ILE index 491
residue id /A:529 name ILE index 492
residue id /A:530 name GLN index 493
residue id /A:531 name PHE index 494
residue id /A:532 name GLN index 495
residue id /A:533 name PHE index 496
residue id /A:534 name HIS index 497
residue id /A:535 name GLU index 498
residue id /A:536 name ALA index 499
residue id /A:537 name LEU index 500
residue id /A:538 name CYS index 501
residue id /A:539 name GLN index 502
residue id /A:540 name ALA index 503
residue id /A:541 name ALA index 504
residue id /A:542 name GLY index 505
residue id /A:543 name HIS index 506
residue id /A:544 name THR index 507
residue id /A:545 name GLY index 508
residue id /A:546 name PRO index 509
residue id /A:547 name LEU index 510
residue id /A:548 name HIS index 511
residue id /A:549 name LYS index 512
residue id /A:550 name CYS index 513
residue id /A:551 name ASP index 514
residue id /A:552 name ILE index 515
residue id /A:553 name TYR index 516
residue id /A:554 name GLN index 517
residue id /A:555 name SER index 518
residue id /A:556 name LYS index 519
residue id /A:557 name GLU index 520
residue id /A:558 name ALA index 521
residue id /A:559 name GLY index 522
residue id /A:560 name GLN index 523
residue id /A:561 name ARG index 524
residue id /A:562 name LEU index 525
residue id /A:563 name ALA index 526
residue id /A:564 name THR index 527
residue id /A:565 name ALA index 528
residue id /A:566 name MET index 529
residue id /A:567 name LYS index 530
residue id /A:568 name LEU index 531
residue id /A:569 name GLY index 532
residue id /A:570 name PHE index 533
residue id /A:571 name SER index 534
residue id /A:572 name ARG index 535
residue id /A:573 name PRO index 536
residue id /A:574 name TRP index 537
residue id /A:575 name PRO index 538
residue id /A:576 name GLU index 539
residue id /A:577 name ALA index 540
residue id /A:578 name MET index 541
residue id /A:579 name GLN index 542
residue id /A:580 name LEU index 543
residue id /A:581 name ILE index 544
residue id /A:582 name THR index 545
residue id /A:583 name GLY index 546
residue id /A:584 name GLN index 547
residue id /A:585 name PRO index 548
residue id /A:586 name ASN index 549
residue id /A:587 name MET index 550
residue id /A:588 name SER index 551
residue id /A:589 name ALA index 552
residue id /A:590 name SER index 553
residue id /A:591 name ALA index 554
residue id /A:592 name MET index 555
residue id /A:593 name LEU index 556
residue id /A:594 name SER index 557
residue id /A:595 name TYR index 558
residue id /A:596 name PHE index 559
residue id /A:597 name LYS index 560
residue id /A:598 name PRO index 561
residue id /A:599 name LEU index 562
residue id /A:600 name LEU index 563
residue id /A:601 name ASP index 564
residue id /A:602 name TRP index 565
residue id /A:603 name LEU index 566
residue id /A:604 name ARG index 567
residue id /A:605 name THR index 568
residue id /A:606 name GLU index 569
residue id /A:607 name ASN index 570
residue id /A:608 name GLU index 571
residue id /A:609 name LEU index 572
residue id /A:610 name HIS index 573
residue id /A:611 name GLY index 574
residue id /A:612 name GLU index 575
residue id /A:613 name LYS index 576
residue id /A:614 name LEU index 577
residue id /A:615 name GLY index 578
residue id /A:616 name TRP index 579
residue id /A:617 name PRO index 580
residue id /A:618 name GLN index 581
residue id /A:2000 name GLY
residue id /A:701 name ZN
residue id /A:702 name LPR
residue id /A:703 name CL
residue id /A:704 name CL
residue id /A:2001 name HOH
residue id /A:2002 name HOH
residue id /A:2003 name HOH
residue id /A:2004 name HOH
residue id /A:2005 name HOH
residue id /A:2006 name HOH
residue id /A:2007 name HOH
residue id /A:2008 name HOH
residue id /A:2009 name HOH
residue id /A:2010 name HOH
residue id /A:2011 name HOH
residue id /A:2012 name HOH
residue id /A:2013 name HOH
residue id /A:2014 name HOH
residue id /A:2015 name HOH
residue id /A:2016 name HOH
residue id /A:2017 name HOH
residue id /A:2018 name HOH
residue id /A:2019 name HOH
residue id /A:2020 name HOH
residue id /A:2021 name HOH
residue id /A:2022 name HOH
residue id /A:2023 name HOH
residue id /A:2024 name HOH
residue id /A:2025 name HOH
residue id /A:2026 name HOH
residue id /A:2027 name HOH
residue id /A:2028 name HOH
residue id /A:2029 name HOH
residue id /A:2030 name HOH
residue id /A:2031 name HOH
residue id /A:2032 name HOH
residue id /A:2033 name HOH
residue id /A:2034 name HOH
residue id /A:2035 name HOH
residue id /A:2036 name HOH
residue id /A:2037 name HOH
residue id /A:2038 name HOH
residue id /A:2039 name HOH
residue id /A:2040 name HOH
residue id /A:2041 name HOH
residue id /A:2042 name HOH
residue id /A:2043 name HOH
residue id /A:2044 name HOH
residue id /A:2045 name HOH
residue id /A:2046 name HOH
residue id /A:2047 name HOH
residue id /A:2048 name HOH
residue id /A:2049 name HOH
residue id /A:2050 name HOH
residue id /A:2051 name HOH
residue id /A:2052 name HOH
residue id /A:2053 name HOH
residue id /A:2054 name HOH
residue id /A:2055 name HOH
residue id /A:2056 name HOH
residue id /A:2057 name HOH
residue id /A:2058 name HOH
residue id /A:2059 name HOH
residue id /A:2060 name HOH
residue id /A:2061 name HOH
residue id /A:2062 name HOH
residue id /A:2063 name HOH
residue id /A:2064 name HOH
residue id /A:2065 name HOH
residue id /A:2066 name HOH
residue id /A:2067 name HOH
residue id /A:2068 name HOH
residue id /A:2069 name HOH
residue id /A:2070 name HOH
residue id /A:2071 name HOH
residue id /A:2072 name HOH
residue id /A:2073 name HOH
residue id /A:2074 name HOH
residue id /A:2075 name HOH
residue id /A:2076 name HOH
residue id /A:2077 name HOH
residue id /A:2078 name HOH
residue id /A:2079 name HOH
residue id /A:2080 name HOH
residue id /A:2081 name HOH
residue id /A:2082 name HOH
residue id /A:2083 name HOH
residue id /A:2084 name HOH
residue id /A:2085 name HOH
residue id /A:2086 name HOH
residue id /A:2087 name HOH
residue id /A:2088 name HOH
residue id /A:2089 name HOH
residue id /A:2090 name HOH
residue id /A:2091 name HOH
residue id /A:2092 name HOH
residue id /A:2093 name HOH
residue id /A:2094 name HOH
residue id /A:2095 name HOH
residue id /A:2096 name HOH
residue id /A:2097 name HOH
residue id /A:2098 name HOH
residue id /A:2099 name HOH
residue id /A:2100 name HOH
residue id /A:2101 name HOH
residue id /A:2102 name HOH
residue id /A:2103 name HOH
residue id /A:2104 name HOH
residue id /A:2105 name HOH
residue id /A:2106 name HOH
residue id /A:2107 name HOH
residue id /A:2108 name HOH
residue id /A:2109 name HOH
residue id /A:2110 name HOH
residue id /A:2111 name HOH
residue id /A:2112 name HOH
residue id /A:2113 name HOH
residue id /A:2114 name HOH
residue id /A:2115 name HOH
residue id /A:2116 name HOH
residue id /A:2117 name HOH
residue id /A:2118 name HOH
residue id /A:2119 name HOH
residue id /A:2120 name HOH
residue id /A:2121 name HOH
residue id /A:2122 name HOH
residue id /A:2123 name HOH
residue id /A:2124 name HOH
residue id /A:2125 name HOH
residue id /A:2126 name HOH
residue id /A:2127 name HOH
residue id /A:2128 name HOH
residue id /A:2129 name HOH
residue id /A:2130 name HOH
residue id /A:2131 name HOH
residue id /A:2132 name HOH
residue id /A:2133 name HOH
residue id /A:2134 name HOH
residue id /A:2135 name HOH
residue id /A:2136 name HOH
residue id /A:2137 name HOH
residue id /A:2138 name HOH
residue id /A:2139 name HOH
residue id /A:2140 name HOH
residue id /A:2141 name HOH
residue id /A:2142 name HOH
residue id /A:2143 name HOH
residue id /A:2144 name HOH
residue id /A:2145 name HOH
residue id /A:2146 name HOH
residue id /A:2147 name HOH
residue id /A:2148 name HOH
residue id /A:2149 name HOH
residue id /A:2150 name HOH
residue id /A:2151 name HOH
residue id /A:2152 name HOH
residue id /A:2153 name HOH
residue id /A:2154 name HOH
residue id /A:2155 name HOH
residue id /A:2156 name HOH
residue id /A:2157 name HOH
residue id /A:2158 name HOH
residue id /A:2159 name HOH
residue id /A:2160 name HOH
residue id /A:2161 name HOH
residue id /A:2162 name HOH
residue id /A:2163 name HOH
residue id /A:2164 name HOH
residue id /A:2165 name HOH
residue id /A:2166 name HOH
residue id /A:2167 name HOH
residue id /A:2168 name HOH
residue id /A:2169 name HOH
residue id /A:2170 name HOH
residue id /A:2171 name HOH
residue id /A:2172 name HOH
residue id /A:2173 name HOH
residue id /A:2174 name HOH
residue id /A:2175 name HOH
residue id /A:2176 name HOH
residue id /A:2177 name HOH
residue id /A:2178 name HOH
residue id /A:2179 name HOH
residue id /A:2180 name HOH
residue id /A:2181 name HOH
residue id /A:2182 name HOH
residue id /A:2183 name HOH
residue id /A:2184 name HOH
residue id /A:2185 name HOH
residue id /A:2186 name HOH
residue id /A:2187 name HOH
residue id /A:2188 name HOH
residue id /A:2189 name HOH
residue id /A:2190 name HOH
residue id /A:2191 name HOH
residue id /A:2192 name HOH
residue id /A:2193 name HOH
residue id /A:2194 name HOH
residue id /A:2195 name HOH
residue id /A:2196 name HOH
residue id /A:2197 name HOH
residue id /A:2198 name HOH
residue id /A:2199 name HOH
residue id /A:2200 name HOH
residue id /A:2201 name HOH
residue id /A:2202 name HOH
residue id /A:2203 name HOH
residue id /A:2204 name HOH
residue id /A:2205 name HOH
residue id /A:2206 name HOH
residue id /A:2207 name HOH
residue id /A:2208 name HOH
residue id /A:2209 name HOH
residue id /A:2210 name HOH
residue id /A:2211 name HOH
residue id /A:2212 name HOH
residue id /A:2213 name HOH
residue id /A:2214 name HOH
residue id /A:2215 name HOH
residue id /A:2216 name HOH
residue id /A:2217 name HOH
residue id /A:2218 name HOH
residue id /A:2219 name HOH
residue id /A:2220 name HOH
residue id /A:2221 name HOH
residue id /A:2222 name HOH
residue id /A:2223 name HOH
residue id /A:2224 name HOH
residue id /A:2225 name HOH
residue id /A:2226 name HOH
residue id /A:2227 name HOH
residue id /A:2228 name HOH
residue id /A:2229 name HOH
residue id /A:2230 name HOH
residue id /A:2231 name HOH
residue id /A:2232 name HOH
residue id /A:2233 name HOH
residue id /A:2234 name HOH
residue id /A:2235 name HOH
residue id /A:2236 name HOH
residue id /A:2237 name HOH
residue id /A:2238 name HOH
residue id /A:2239 name HOH
residue id /A:2240 name HOH
residue id /A:2241 name HOH
residue id /A:2242 name HOH
residue id /A:2243 name HOH
residue id /A:2244 name HOH
residue id /A:2245 name HOH
residue id /A:2246 name HOH
residue id /A:2247 name HOH
residue id /A:2248 name HOH
residue id /A:2249 name HOH
residue id /A:2250 name HOH
residue id /A:2251 name HOH
residue id /A:2252 name HOH
residue id /A:2253 name HOH
residue id /A:2254 name HOH
residue id /A:2255 name HOH
residue id /A:2256 name HOH
residue id /A:2257 name HOH
residue id /A:2258 name HOH
residue id /A:2259 name HOH
residue id /A:2260 name HOH
residue id /A:2261 name HOH
residue id /A:2262 name HOH
residue id /A:2263 name HOH
residue id /A:2264 name HOH
residue id /A:2265 name HOH
residue id /A:2266 name HOH
residue id /A:2267 name HOH
residue id /A:2268 name HOH
residue id /A:2269 name HOH
residue id /A:2270 name HOH
residue id /A:2271 name HOH
residue id /A:2272 name HOH
residue id /A:2273 name HOH
residue id /A:2274 name HOH
residue id /A:2275 name HOH
residue id /A:2276 name HOH
residue id /A:2277 name HOH
residue id /A:2278 name HOH
residue id /A:2279 name HOH
residue id /A:2280 name HOH
residue id /A:2281 name HOH
residue id /A:2282 name HOH
residue id /A:2283 name HOH
residue id /A:2284 name HOH
residue id /A:2285 name HOH
residue id /A:2286 name HOH
residue id /A:2287 name HOH
residue id /A:2288 name HOH
residue id /A:2289 name HOH
residue id /A:2290 name HOH
residue id /A:2291 name HOH
residue id /A:2292 name HOH
residue id /A:2293 name HOH
residue id /A:2294 name HOH
residue id /A:2295 name HOH
residue id /A:2296 name HOH
residue id /A:2297 name HOH
residue id /A:2298 name HOH
residue id /A:2299 name HOH
residue id /A:2300 name HOH
residue id /A:2301 name HOH
residue id /A:2302 name HOH
residue id /A:2303 name HOH
residue id /A:2304 name HOH
residue id /A:2305 name HOH
residue id /A:2306 name HOH
residue id /A:2307 name HOH
residue id /A:2308 name HOH
residue id /A:2309 name HOH
residue id /A:2310 name HOH
residue id /A:2311 name HOH
residue id /A:2312 name HOH
residue id /A:2313 name HOH
residue id /A:2314 name HOH
residue id /A:2315 name HOH
residue id /A:2316 name HOH
residue id /A:2317 name HOH
residue id /A:2318 name HOH
residue id /A:2319 name HOH
residue id /A:2320 name HOH
residue id /A:2321 name HOH
residue id /A:2322 name HOH
residue id /A:2323 name HOH
residue id /A:2324 name HOH
residue id /A:2325 name HOH
residue id /A:2326 name HOH
residue id /A:2327 name HOH
residue id /A:2328 name HOH
residue id /A:2329 name HOH
residue id /A:2330 name HOH
residue id /A:2331 name HOH
residue id /A:2332 name HOH
residue id /A:2333 name HOH
residue id /A:2334 name HOH
residue id /A:2335 name HOH
residue id /A:2336 name HOH
residue id /A:2337 name HOH
residue id /A:2338 name HOH
residue id /A:2339 name HOH
residue id /A:2340 name HOH
residue id /A:2341 name HOH
residue id /A:2342 name HOH
residue id /A:2343 name HOH
residue id /A:2344 name HOH
residue id /A:2345 name HOH
residue id /A:2346 name HOH
residue id /A:2347 name HOH
residue id /A:2348 name HOH
residue id /A:2349 name HOH
residue id /A:2350 name HOH
residue id /A:2351 name HOH
residue id /A:2352 name HOH
residue id /A:2353 name HOH
residue id /A:2354 name HOH
residue id /A:2355 name HOH
residue id /A:2356 name HOH
residue id /A:2357 name HOH
residue id /A:2358 name HOH
residue id /A:2359 name HOH
residue id /A:2360 name HOH
residue id /A:2361 name HOH
residue id /A:2362 name HOH
residue id /A:2363 name HOH
residue id /A:2364 name HOH
residue id /A:2365 name HOH
residue id /A:2366 name HOH
residue id /A:2367 name HOH
residue id /A:2368 name HOH
residue id /A:2369 name HOH
residue id /A:2370 name HOH
residue id /A:2371 name HOH
residue id /A:2372 name HOH
residue id /A:2373 name HOH
residue id /A:2374 name HOH
residue id /A:2375 name HOH
residue id /A:2376 name HOH
residue id /A:2377 name HOH
residue id /A:2378 name HOH
residue id /A:2379 name HOH
residue id /A:2380 name HOH
residue id /A:2381 name HOH
residue id /A:2382 name HOH
residue id /A:2383 name HOH
residue id /A:2384 name HOH
residue id /A:2385 name HOH
residue id /A:2386 name HOH
residue id /A:2387 name HOH
residue id /A:2388 name HOH
residue id /A:2389 name HOH
residue id /A:2390 name HOH
residue id /A:2391 name HOH
residue id /A:2392 name HOH
residue id /A:2393 name HOH
residue id /A:2394 name HOH
residue id /A:2395 name HOH
residue id /A:2396 name HOH
residue id /A:2397 name HOH
residue id /A:2398 name HOH
residue id /A:2399 name HOH
residue id /A:2400 name HOH
residue id /A:2401 name HOH
residue id /A:2402 name HOH
residue id /A:2403 name HOH
residue id /A:2404 name HOH
residue id /A:2405 name HOH
residue id /A:2406 name HOH
residue id /A:2407 name HOH
residue id /A:2408 name HOH
residue id /A:2409 name HOH
residue id /A:2410 name HOH
residue id /A:2411 name HOH
residue id /A:2412 name HOH
residue id /A:2413 name HOH
residue id /A:2414 name HOH
residue id /A:2415 name HOH
residue id /A:2416 name HOH
residue id /A:2417 name HOH
residue id /A:2418 name HOH
residue id /A:2419 name HOH
residue id /A:2420 name HOH
residue id /A:2421 name HOH
residue id /A:2422 name HOH
residue id /A:2423 name HOH
residue id /A:2424 name HOH
residue id /A:2425 name HOH
residue id /A:2426 name HOH
residue id /A:2427 name HOH
residue id /A:2428 name HOH
residue id /A:2429 name HOH
residue id /A:2430 name HOH
residue id /A:2431 name HOH
residue id /A:2432 name HOH
residue id /A:2433 name HOH
residue id /A:2434 name HOH
residue id /A:2435 name HOH
residue id /A:2436 name HOH
residue id /A:2437 name HOH
residue id /A:2438 name HOH
residue id /A:2439 name HOH
residue id /A:2440 name HOH
residue id /A:2441 name HOH
residue id /A:2442 name HOH
residue id /A:2443 name HOH
residue id /A:2444 name HOH
residue id /A:2445 name HOH
residue id /A:2446 name HOH
residue id /A:2447 name HOH
residue id /A:2448 name HOH
residue id /A:2449 name HOH
residue id /A:2450 name HOH
residue id /A:2451 name HOH
residue id /A:2452 name HOH
residue id /A:2453 name HOH
residue id /A:2454 name HOH
residue id /A:2455 name HOH
residue id /A:2456 name HOH
residue id /A:2457 name HOH
residue id /A:2458 name HOH
residue id /A:2459 name HOH
residue id /A:2460 name HOH
residue id /A:2461 name HOH
residue id /A:2462 name HOH
residue id /A:2463 name HOH
residue id /A:2464 name HOH
residue id /A:2465 name HOH
residue id /A:2466 name HOH
residue id /A:2467 name HOH
residue id /A:2468 name HOH
residue id /A:2469 name HOH
residue id /A:2470 name HOH
residue id /A:2471 name HOH
residue id /A:2472 name HOH
residue id /A:2473 name HOH
residue id /A:2474 name HOH
residue id /A:2475 name HOH
residue id /A:2476 name HOH
residue id /A:2477 name HOH
residue id /A:2478 name HOH
residue id /A:2479 name HOH
residue id /A:2480 name HOH
residue id /A:2481 name HOH
residue id /A:2482 name HOH
residue id /A:2483 name HOH
residue id /A:2484 name HOH
residue id /A:2485 name HOH
residue id /A:2486 name HOH
residue id /A:2487 name HOH
residue id /A:2488 name HOH
residue id /A:2489 name HOH
residue id /A:2490 name HOH
residue id /A:2491 name HOH
residue id /A:2492 name HOH
residue id /A:2493 name HOH
residue id /A:2494 name HOH
residue id /A:2495 name HOH
residue id /A:2496 name HOH
residue id /A:2497 name HOH
residue id /A:2498 name HOH
residue id /A:2499 name HOH
residue id /A:2500 name HOH
residue id /A:2501 name HOH
residue id /A:2502 name HOH
residue id /A:2503 name HOH
residue id /A:2504 name HOH
residue id /A:2505 name HOH
residue id /A:2506 name HOH
residue id /A:2507 name HOH
residue id /A:2508 name HOH
residue id /A:2509 name HOH
residue id /A:2510 name HOH
residue id /A:2511 name HOH
residue id /A:2512 name HOH
residue id /A:2513 name HOH
residue id /A:2514 name HOH
residue id /A:2515 name HOH
residue id /A:2516 name HOH
residue id /A:2517 name HOH
residue id /A:2518 name HOH
residue id /A:2519 name HOH
residue id /A:2520 name HOH
residue id /A:2521 name HOH
residue id /A:2522 name HOH
residue id /A:2523 name HOH
residue id /A:2524 name HOH
residue id /A:2525 name HOH
residue id /A:2526 name HOH
residue id /A:2527 name HOH
residue id /A:2528 name HOH
residue id /A:2529 name HOH
residue id /A:2530 name HOH
residue id /A:2531 name HOH
residue id /A:2532 name HOH
residue id /A:2533 name HOH
residue id /A:2534 name HOH
residue id /A:2535 name HOH
residue id /A:2536 name HOH
residue id /A:2537 name HOH
residue id /A:2538 name HOH
residue id /A:2539 name HOH
residue id /A:2540 name HOH
residue id /A:2541 name HOH
residue id /A:2542 name HOH
residue id /A:2543 name HOH
residue id /A:2544 name HOH
residue id /A:2545 name HOH
residue id /A:2546 name HOH
residue id /A:2547 name HOH
residue id /A:2548 name HOH
residue id /A:2549 name HOH
residue id /A:2550 name HOH
residue id /A:2551 name HOH
residue id /A:2552 name HOH
residue id /A:2553 name HOH
residue id /A:2554 name HOH
residue id /A:2555 name HOH
residue id /A:2556 name HOH
residue id /A:2557 name HOH
residue id /A:2558 name HOH
residue id /A:2559 name HOH
residue id /A:2560 name HOH
residue id /A:2561 name HOH
residue id /A:2562 name HOH
residue id /A:2563 name HOH
residue id /A:2564 name HOH
residue id /A:2565 name HOH
residue id /A:2566 name HOH
residue id /A:2567 name HOH
residue id /A:2568 name HOH
residue id /A:2569 name HOH
residue id /A:2570 name HOH
> select @HOH
Nothing selected
> select :HOH
570 atoms, 570 residues, 1 model selected
> delete
Missing or invalid "atoms" argument: empty atom specifier
> delete selected
Missing or invalid "atoms" argument: invalid atoms specifier
> delete :HOH
> info residues
residue id /A:40 name ASP index 3
residue id /A:41 name GLU index 4
residue id /A:42 name ALA index 5
residue id /A:43 name GLU index 6
residue id /A:44 name ALA index 7
residue id /A:45 name SER index 8
residue id /A:46 name LYS index 9
residue id /A:47 name PHE index 10
residue id /A:48 name VAL index 11
residue id /A:49 name GLU index 12
residue id /A:50 name GLU index 13
residue id /A:51 name TYR index 14
residue id /A:52 name ASP index 15
residue id /A:53 name ARG index 16
residue id /A:54 name THR index 17
residue id /A:55 name SER index 18
residue id /A:56 name GLN index 19
residue id /A:57 name VAL index 20
residue id /A:58 name VAL index 21
residue id /A:59 name TRP index 22
residue id /A:60 name ASN index 23
residue id /A:61 name GLU index 24
residue id /A:62 name TYR index 25
residue id /A:63 name ALA index 26
residue id /A:64 name GLU index 27
residue id /A:65 name ALA index 28
residue id /A:66 name ASN index 29
residue id /A:67 name TRP index 30
residue id /A:68 name ASN index 31
residue id /A:69 name TYR index 32
residue id /A:70 name ASN index 33
residue id /A:71 name THR index 34
residue id /A:72 name ASN index 35
residue id /A:73 name ILE index 36
residue id /A:74 name THR index 37
residue id /A:75 name THR index 38
residue id /A:76 name GLU index 39
residue id /A:77 name THR index 40
residue id /A:78 name SER index 41
residue id /A:79 name LYS index 42
residue id /A:80 name ILE index 43
residue id /A:81 name LEU index 44
residue id /A:82 name LEU index 45
residue id /A:83 name GLN index 46
residue id /A:84 name LYS index 47
residue id /A:85 name ASN index 48
residue id /A:86 name MET index 49
residue id /A:87 name GLN index 50
residue id /A:88 name ILE index 51
residue id /A:89 name ALA index 52
residue id /A:90 name ASN index 53
residue id /A:91 name HIS index 54
residue id /A:92 name THR index 55
residue id /A:93 name LEU index 56
residue id /A:94 name LYS index 57
residue id /A:95 name TYR index 58
residue id /A:96 name GLY index 59
residue id /A:97 name THR index 60
residue id /A:98 name GLN index 61
residue id /A:99 name ALA index 62
residue id /A:100 name ARG index 63
residue id /A:101 name LYS index 64
residue id /A:102 name PHE index 65
residue id /A:103 name ASP index 66
residue id /A:104 name VAL index 67
residue id /A:105 name ASN index 68
residue id /A:106 name GLN index 69
residue id /A:107 name LEU index 70
residue id /A:108 name GLN index 71
residue id /A:109 name ASN index 72
residue id /A:110 name THR index 73
residue id /A:111 name THR index 74
residue id /A:112 name ILE index 75
residue id /A:113 name LYS index 76
residue id /A:114 name ARG index 77
residue id /A:115 name ILE index 78
residue id /A:116 name ILE index 79
residue id /A:117 name LYS index 80
residue id /A:118 name LYS index 81
residue id /A:119 name VAL index 82
residue id /A:120 name GLN index 83
residue id /A:121 name ASP index 84
residue id /A:122 name LEU index 85
residue id /A:123 name GLU index 86
residue id /A:124 name ARG index 87
residue id /A:125 name ALA index 88
residue id /A:126 name ALA index 89
residue id /A:127 name LEU index 90
residue id /A:128 name PRO index 91
residue id /A:129 name ALA index 92
residue id /A:130 name GLN index 93
residue id /A:131 name GLU index 94
residue id /A:132 name LEU index 95
residue id /A:133 name GLU index 96
residue id /A:134 name GLU index 97
residue id /A:135 name TYR index 98
residue id /A:136 name ASN index 99
residue id /A:137 name LYS index 100
residue id /A:138 name ILE index 101
residue id /A:139 name LEU index 102
residue id /A:140 name LEU index 103
residue id /A:141 name ASP index 104
residue id /A:142 name MET index 105
residue id /A:143 name GLU index 106
residue id /A:144 name THR index 107
residue id /A:145 name THR index 108
residue id /A:146 name TYR index 109
residue id /A:147 name SER index 110
residue id /A:148 name VAL index 111
residue id /A:149 name ALA index 112
residue id /A:150 name THR index 113
residue id /A:151 name VAL index 114
residue id /A:152 name CYS index 115
residue id /A:153 name HIS index 116
residue id /A:154 name PRO index 117
residue id /A:155 name ASN index 118
residue id /A:156 name GLY index 119
residue id /A:157 name SER index 120
residue id /A:158 name CYS index 121
residue id /A:159 name LEU index 122
residue id /A:160 name GLN index 123
residue id /A:161 name LEU index 124
residue id /A:162 name GLU index 125
residue id /A:163 name PRO index 126
residue id /A:164 name ASP index 127
residue id /A:165 name LEU index 128
residue id /A:166 name THR index 129
residue id /A:167 name ASN index 130
residue id /A:168 name VAL index 131
residue id /A:169 name MET index 132
residue id /A:170 name ALA index 133
residue id /A:171 name THR index 134
residue id /A:172 name SER index 135
residue id /A:173 name ARG index 136
residue id /A:174 name LYS index 137
residue id /A:175 name TYR index 138
residue id /A:176 name GLU index 139
residue id /A:177 name ASP index 140
residue id /A:178 name LEU index 141
residue id /A:179 name LEU index 142
residue id /A:180 name TRP index 143
residue id /A:181 name ALA index 144
residue id /A:182 name TRP index 145
residue id /A:183 name GLU index 146
residue id /A:184 name GLY index 147
residue id /A:185 name TRP index 148
residue id /A:186 name ARG index 149
residue id /A:187 name ASP index 150
residue id /A:188 name LYS index 151
residue id /A:189 name ALA index 152
residue id /A:190 name GLY index 153
residue id /A:191 name ARG index 154
residue id /A:192 name ALA index 155
residue id /A:193 name ILE index 156
residue id /A:194 name LEU index 157
residue id /A:195 name GLN index 158
residue id /A:196 name PHE index 159
residue id /A:197 name TYR index 160
residue id /A:198 name PRO index 161
residue id /A:199 name LYS index 162
residue id /A:200 name TYR index 163
residue id /A:201 name VAL index 164
residue id /A:202 name GLU index 165
residue id /A:203 name LEU index 166
residue id /A:204 name ILE index 167
residue id /A:205 name ASN index 168
residue id /A:206 name GLN index 169
residue id /A:207 name ALA index 170
residue id /A:208 name ALA index 171
residue id /A:209 name ARG index 172
residue id /A:210 name LEU index 173
residue id /A:211 name ASN index 174
residue id /A:212 name GLY index 175
residue id /A:213 name TYR index 176
residue id /A:214 name VAL index 177
residue id /A:215 name ASP index 178
residue id /A:216 name ALA index 179
residue id /A:217 name GLY index 180
residue id /A:218 name ASP index 181
residue id /A:219 name SER index 182
residue id /A:220 name TRP index 183
residue id /A:221 name ARG index 184
residue id /A:222 name SER index 185
residue id /A:223 name MET index 186
residue id /A:224 name TYR index 187
residue id /A:225 name GLU index 188
residue id /A:226 name THR index 189
residue id /A:227 name PRO index 190
residue id /A:228 name SER index 191
residue id /A:229 name LEU index 192
residue id /A:230 name GLU index 193
residue id /A:231 name GLN index 194
residue id /A:232 name ASP index 195
residue id /A:233 name LEU index 196
residue id /A:234 name GLU index 197
residue id /A:235 name ARG index 198
residue id /A:236 name LEU index 199
residue id /A:237 name PHE index 200
residue id /A:238 name GLN index 201
residue id /A:239 name GLU index 202
residue id /A:240 name LEU index 203
residue id /A:241 name GLN index 204
residue id /A:242 name PRO index 205
residue id /A:243 name LEU index 206
residue id /A:244 name TYR index 207
residue id /A:245 name LEU index 208
residue id /A:246 name ASN index 209
residue id /A:247 name LEU index 210
residue id /A:248 name HIS index 211
residue id /A:249 name ALA index 212
residue id /A:250 name TYR index 213
residue id /A:251 name VAL index 214
residue id /A:252 name ARG index 215
residue id /A:253 name ARG index 216
residue id /A:254 name ALA index 217
residue id /A:255 name LEU index 218
residue id /A:256 name HIS index 219
residue id /A:257 name ARG index 220
residue id /A:258 name HIS index 221
residue id /A:259 name TYR index 222
residue id /A:260 name GLY index 223
residue id /A:261 name ALA index 224
residue id /A:262 name GLN index 225
residue id /A:263 name HIS index 226
residue id /A:264 name ILE index 227
residue id /A:265 name ASN index 228
residue id /A:266 name LEU index 229
residue id /A:267 name GLU index 230
residue id /A:268 name GLY index 231
residue id /A:269 name PRO index 232
residue id /A:270 name ILE index 233
residue id /A:271 name PRO index 234
residue id /A:272 name ALA index 235
residue id /A:273 name HIS index 236
residue id /A:274 name LEU index 237
residue id /A:275 name LEU index 238
residue id /A:276 name GLY index 239
residue id /A:277 name ASN index 240
residue id /A:278 name MET index 241
residue id /A:279 name TRP index 242
residue id /A:280 name ALA index 243
residue id /A:281 name GLN index 244
residue id /A:282 name THR index 245
residue id /A:283 name TRP index 246
residue id /A:284 name SER index 247
residue id /A:285 name ASN index 248
residue id /A:286 name ILE index 249
residue id /A:287 name TYR index 250
residue id /A:288 name ASP index 251
residue id /A:289 name LEU index 252
residue id /A:290 name VAL index 253
residue id /A:291 name VAL index 254
residue id /A:292 name PRO index 255
residue id /A:293 name PHE index 256
residue id /A:294 name PRO index 257
residue id /A:295 name SER index 258
residue id /A:296 name ALA index 259
residue id /A:297 name PRO index 260
residue id /A:298 name SER index 261
residue id /A:299 name MET index 262
residue id /A:300 name ASP index 263
residue id /A:301 name THR index 264
residue id /A:302 name THR index 265
residue id /A:303 name GLU index 266
residue id /A:304 name ALA index 267
residue id /A:305 name MET index 268
residue id /A:306 name LEU index 269
residue id /A:307 name LYS index 270
residue id /A:308 name GLN index 271
residue id /A:309 name GLY index 272
residue id /A:310 name TRP index 273
residue id /A:311 name THR index 274
residue id /A:312 name PRO index 275
residue id /A:313 name ARG index 276
residue id /A:314 name ARG index 277
residue id /A:315 name MET index 278
residue id /A:316 name PHE index 279
residue id /A:317 name LYS index 280
residue id /A:318 name GLU index 281
residue id /A:319 name ALA index 282
residue id /A:320 name ASP index 283
residue id /A:321 name ASP index 284
residue id /A:322 name PHE index 285
residue id /A:323 name PHE index 286
residue id /A:324 name THR index 287
residue id /A:325 name SER index 288
residue id /A:326 name LEU index 289
residue id /A:327 name GLY index 290
residue id /A:328 name LEU index 291
residue id /A:329 name LEU index 292
residue id /A:330 name PRO index 293
residue id /A:331 name VAL index 294
residue id /A:332 name PRO index 295
residue id /A:333 name PRO index 296
residue id /A:334 name GLU index 297
residue id /A:335 name PHE index 298
residue id /A:336 name TRP index 299
residue id /A:337 name ASN index 300
residue id /A:338 name LYS index 301
residue id /A:339 name SER index 302
residue id /A:340 name MET index 303
residue id /A:341 name LEU index 304
residue id /A:342 name GLU index 305
residue id /A:343 name LYS index 306
residue id /A:344 name PRO index 307
residue id /A:345 name THR index 308
residue id /A:346 name ASP index 309
residue id /A:347 name GLY index 310
residue id /A:348 name ARG index 311
residue id /A:349 name GLU index 312
residue id /A:350 name VAL index 313
residue id /A:351 name VAL index 314
residue id /A:352 name CYS index 315
residue id /A:353 name HIS index 316
residue id /A:354 name ALA index 317
residue id /A:355 name SER index 318
residue id /A:356 name ALA index 319
residue id /A:357 name TRP index 320
residue id /A:358 name ASP index 321
residue id /A:359 name PHE index 322
residue id /A:360 name TYR index 323
residue id /A:361 name ASN index 324
residue id /A:362 name GLY index 325
residue id /A:363 name LYS index 326
residue id /A:364 name ASP index 327
residue id /A:365 name PHE index 328
residue id /A:366 name ARG index 329
residue id /A:367 name ILE index 330
residue id /A:368 name LYS index 331
residue id /A:369 name GLN index 332
residue id /A:370 name CYS index 333
residue id /A:371 name THR index 334
residue id /A:372 name THR index 335
residue id /A:373 name VAL index 336
residue id /A:374 name ASN index 337
residue id /A:375 name LEU index 338
residue id /A:376 name GLU index 339
residue id /A:377 name ASP index 340
residue id /A:378 name LEU index 341
residue id /A:379 name VAL index 342
residue id /A:380 name VAL index 343
residue id /A:381 name ALA index 344
residue id /A:382 name HIS index 345
residue id /A:383 name HIS index 346
residue id /A:384 name GLU index 347
residue id /A:385 name MET index 348
residue id /A:386 name GLY index 349
residue id /A:387 name HIS index 350
residue id /A:388 name ILE index 351
residue id /A:389 name GLN index 352
residue id /A:390 name TYR index 353
residue id /A:391 name PHE index 354
residue id /A:392 name MET index 355
residue id /A:393 name GLN index 356
residue id /A:394 name TYR index 357
residue id /A:395 name LYS index 358
residue id /A:396 name ASP index 359
residue id /A:397 name LEU index 360
residue id /A:398 name PRO index 361
residue id /A:399 name VAL index 362
residue id /A:400 name ALA index 363
residue id /A:401 name LEU index 364
residue id /A:402 name ARG index 365
residue id /A:403 name GLU index 366
residue id /A:404 name GLY index 367
residue id /A:405 name ALA index 368
residue id /A:406 name ASN index 369
residue id /A:407 name PRO index 370
residue id /A:408 name GLY index 371
residue id /A:409 name PHE index 372
residue id /A:410 name HIS index 373
residue id /A:411 name GLU index 374
residue id /A:412 name ALA index 375
residue id /A:413 name ILE index 376
residue id /A:414 name GLY index 377
residue id /A:415 name ASP index 378
residue id /A:416 name VAL index 379
residue id /A:417 name LEU index 380
residue id /A:418 name ALA index 381
residue id /A:419 name LEU index 382
residue id /A:420 name SER index 383
residue id /A:421 name VAL index 384
residue id /A:422 name SER index 385
residue id /A:423 name THR index 386
residue id /A:424 name PRO index 387
residue id /A:425 name LYS index 388
residue id /A:426 name HIS index 389
residue id /A:427 name LEU index 390
residue id /A:428 name HIS index 391
residue id /A:429 name SER index 392
residue id /A:430 name LEU index 393
residue id /A:431 name ASN index 394
residue id /A:432 name LEU index 395
residue id /A:433 name LEU index 396
residue id /A:434 name SER index 397
residue id /A:439 name SER index 402
residue id /A:440 name ASP index 403
residue id /A:441 name GLU index 404
residue id /A:442 name HIS index 405
residue id /A:443 name ASP index 406
residue id /A:444 name ILE index 407
residue id /A:445 name ASN index 408
residue id /A:446 name PHE index 409
residue id /A:447 name LEU index 410
residue id /A:448 name MET index 411
residue id /A:449 name LYS index 412
residue id /A:450 name MET index 413
residue id /A:451 name ALA index 414
residue id /A:452 name LEU index 415
residue id /A:453 name ASP index 416
residue id /A:454 name LYS index 417
residue id /A:455 name ILE index 418
residue id /A:456 name ALA index 419
residue id /A:457 name PHE index 420
residue id /A:458 name ILE index 421
residue id /A:459 name PRO index 422
residue id /A:460 name PHE index 423
residue id /A:461 name SER index 424
residue id /A:462 name TYR index 425
residue id /A:463 name LEU index 426
residue id /A:464 name VAL index 427
residue id /A:465 name ASP index 428
residue id /A:466 name GLN index 429
residue id /A:467 name TRP index 430
residue id /A:468 name ARG index 431
residue id /A:469 name TRP index 432
residue id /A:470 name ARG index 433
residue id /A:471 name VAL index 434
residue id /A:472 name PHE index 435
residue id /A:473 name ASP index 436
residue id /A:474 name GLY index 437
residue id /A:475 name SER index 438
residue id /A:476 name ILE index 439
residue id /A:477 name THR index 440
residue id /A:478 name LYS index 441
residue id /A:479 name GLU index 442
residue id /A:480 name ASN index 443
residue id /A:481 name TYR index 444
residue id /A:482 name ASN index 445
residue id /A:483 name GLN index 446
residue id /A:484 name GLU index 447
residue id /A:485 name TRP index 448
residue id /A:486 name TRP index 449
residue id /A:487 name SER index 450
residue id /A:488 name LEU index 451
residue id /A:489 name ARG index 452
residue id /A:490 name LEU index 453
residue id /A:491 name LYS index 454
residue id /A:492 name TYR index 455
residue id /A:493 name GLN index 456
residue id /A:494 name GLY index 457
residue id /A:495 name LEU index 458
residue id /A:496 name CYS index 459
residue id /A:497 name PRO index 460
residue id /A:498 name PRO index 461
residue id /A:499 name VAL index 462
residue id /A:500 name PRO index 463
residue id /A:501 name ARG index 464
residue id /A:502 name THR index 465
residue id /A:503 name GLN index 466
residue id /A:504 name GLY index 467
residue id /A:505 name ASP index 468
residue id /A:506 name PHE index 469
residue id /A:507 name ASP index 470
residue id /A:508 name PRO index 471
residue id /A:509 name GLY index 472
residue id /A:510 name ALA index 473
residue id /A:511 name LYS index 474
residue id /A:512 name PHE index 475
residue id /A:513 name HIS index 476
residue id /A:514 name ILE index 477
residue id /A:515 name PRO index 478
residue id /A:516 name SER index 479
residue id /A:517 name SER index 480
residue id /A:518 name VAL index 481
residue id /A:519 name PRO index 482
residue id /A:520 name TYR index 483
residue id /A:521 name ILE index 484
residue id /A:522 name ARG index 485
residue id /A:523 name TYR index 486
residue id /A:524 name PHE index 487
residue id /A:525 name VAL index 488
residue id /A:526 name SER index 489
residue id /A:527 name PHE index 490
residue id /A:528 name ILE index 491
residue id /A:529 name ILE index 492
residue id /A:530 name GLN index 493
residue id /A:531 name PHE index 494
residue id /A:532 name GLN index 495
residue id /A:533 name PHE index 496
residue id /A:534 name HIS index 497
residue id /A:535 name GLU index 498
residue id /A:536 name ALA index 499
residue id /A:537 name LEU index 500
residue id /A:538 name CYS index 501
residue id /A:539 name GLN index 502
residue id /A:540 name ALA index 503
residue id /A:541 name ALA index 504
residue id /A:542 name GLY index 505
residue id /A:543 name HIS index 506
residue id /A:544 name THR index 507
residue id /A:545 name GLY index 508
residue id /A:546 name PRO index 509
residue id /A:547 name LEU index 510
residue id /A:548 name HIS index 511
residue id /A:549 name LYS index 512
residue id /A:550 name CYS index 513
residue id /A:551 name ASP index 514
residue id /A:552 name ILE index 515
residue id /A:553 name TYR index 516
residue id /A:554 name GLN index 517
residue id /A:555 name SER index 518
residue id /A:556 name LYS index 519
residue id /A:557 name GLU index 520
residue id /A:558 name ALA index 521
residue id /A:559 name GLY index 522
residue id /A:560 name GLN index 523
residue id /A:561 name ARG index 524
residue id /A:562 name LEU index 525
residue id /A:563 name ALA index 526
residue id /A:564 name THR index 527
residue id /A:565 name ALA index 528
residue id /A:566 name MET index 529
residue id /A:567 name LYS index 530
residue id /A:568 name LEU index 531
residue id /A:569 name GLY index 532
residue id /A:570 name PHE index 533
residue id /A:571 name SER index 534
residue id /A:572 name ARG index 535
residue id /A:573 name PRO index 536
residue id /A:574 name TRP index 537
residue id /A:575 name PRO index 538
residue id /A:576 name GLU index 539
residue id /A:577 name ALA index 540
residue id /A:578 name MET index 541
residue id /A:579 name GLN index 542
residue id /A:580 name LEU index 543
residue id /A:581 name ILE index 544
residue id /A:582 name THR index 545
residue id /A:583 name GLY index 546
residue id /A:584 name GLN index 547
residue id /A:585 name PRO index 548
residue id /A:586 name ASN index 549
residue id /A:587 name MET index 550
residue id /A:588 name SER index 551
residue id /A:589 name ALA index 552
residue id /A:590 name SER index 553
residue id /A:591 name ALA index 554
residue id /A:592 name MET index 555
residue id /A:593 name LEU index 556
residue id /A:594 name SER index 557
residue id /A:595 name TYR index 558
residue id /A:596 name PHE index 559
residue id /A:597 name LYS index 560
residue id /A:598 name PRO index 561
residue id /A:599 name LEU index 562
residue id /A:600 name LEU index 563
residue id /A:601 name ASP index 564
residue id /A:602 name TRP index 565
residue id /A:603 name LEU index 566
residue id /A:604 name ARG index 567
residue id /A:605 name THR index 568
residue id /A:606 name GLU index 569
residue id /A:607 name ASN index 570
residue id /A:608 name GLU index 571
residue id /A:609 name LEU index 572
residue id /A:610 name HIS index 573
residue id /A:611 name GLY index 574
residue id /A:612 name GLU index 575
residue id /A:613 name LYS index 576
residue id /A:614 name LEU index 577
residue id /A:615 name GLY index 578
residue id /A:616 name TRP index 579
residue id /A:617 name PRO index 580
residue id /A:618 name GLN index 581
residue id /A:2000 name GLY
residue id /A:701 name ZN
residue id /A:702 name LPR
residue id /A:703 name CL
residue id /A:704 name CL
> delete @LPR
> info residues
residue id /A:40 name ASP index 3
residue id /A:41 name GLU index 4
residue id /A:42 name ALA index 5
residue id /A:43 name GLU index 6
residue id /A:44 name ALA index 7
residue id /A:45 name SER index 8
residue id /A:46 name LYS index 9
residue id /A:47 name PHE index 10
residue id /A:48 name VAL index 11
residue id /A:49 name GLU index 12
residue id /A:50 name GLU index 13
residue id /A:51 name TYR index 14
residue id /A:52 name ASP index 15
residue id /A:53 name ARG index 16
residue id /A:54 name THR index 17
residue id /A:55 name SER index 18
residue id /A:56 name GLN index 19
residue id /A:57 name VAL index 20
residue id /A:58 name VAL index 21
residue id /A:59 name TRP index 22
residue id /A:60 name ASN index 23
residue id /A:61 name GLU index 24
residue id /A:62 name TYR index 25
residue id /A:63 name ALA index 26
residue id /A:64 name GLU index 27
residue id /A:65 name ALA index 28
residue id /A:66 name ASN index 29
residue id /A:67 name TRP index 30
residue id /A:68 name ASN index 31
residue id /A:69 name TYR index 32
residue id /A:70 name ASN index 33
residue id /A:71 name THR index 34
residue id /A:72 name ASN index 35
residue id /A:73 name ILE index 36
residue id /A:74 name THR index 37
residue id /A:75 name THR index 38
residue id /A:76 name GLU index 39
residue id /A:77 name THR index 40
residue id /A:78 name SER index 41
residue id /A:79 name LYS index 42
residue id /A:80 name ILE index 43
residue id /A:81 name LEU index 44
residue id /A:82 name LEU index 45
residue id /A:83 name GLN index 46
residue id /A:84 name LYS index 47
residue id /A:85 name ASN index 48
residue id /A:86 name MET index 49
residue id /A:87 name GLN index 50
residue id /A:88 name ILE index 51
residue id /A:89 name ALA index 52
residue id /A:90 name ASN index 53
residue id /A:91 name HIS index 54
residue id /A:92 name THR index 55
residue id /A:93 name LEU index 56
residue id /A:94 name LYS index 57
residue id /A:95 name TYR index 58
residue id /A:96 name GLY index 59
residue id /A:97 name THR index 60
residue id /A:98 name GLN index 61
residue id /A:99 name ALA index 62
residue id /A:100 name ARG index 63
residue id /A:101 name LYS index 64
residue id /A:102 name PHE index 65
residue id /A:103 name ASP index 66
residue id /A:104 name VAL index 67
residue id /A:105 name ASN index 68
residue id /A:106 name GLN index 69
residue id /A:107 name LEU index 70
residue id /A:108 name GLN index 71
residue id /A:109 name ASN index 72
residue id /A:110 name THR index 73
residue id /A:111 name THR index 74
residue id /A:112 name ILE index 75
residue id /A:113 name LYS index 76
residue id /A:114 name ARG index 77
residue id /A:115 name ILE index 78
residue id /A:116 name ILE index 79
residue id /A:117 name LYS index 80
residue id /A:118 name LYS index 81
residue id /A:119 name VAL index 82
residue id /A:120 name GLN index 83
residue id /A:121 name ASP index 84
residue id /A:122 name LEU index 85
residue id /A:123 name GLU index 86
residue id /A:124 name ARG index 87
residue id /A:125 name ALA index 88
residue id /A:126 name ALA index 89
residue id /A:127 name LEU index 90
residue id /A:128 name PRO index 91
residue id /A:129 name ALA index 92
residue id /A:130 name GLN index 93
residue id /A:131 name GLU index 94
residue id /A:132 name LEU index 95
residue id /A:133 name GLU index 96
residue id /A:134 name GLU index 97
residue id /A:135 name TYR index 98
residue id /A:136 name ASN index 99
residue id /A:137 name LYS index 100
residue id /A:138 name ILE index 101
residue id /A:139 name LEU index 102
residue id /A:140 name LEU index 103
residue id /A:141 name ASP index 104
residue id /A:142 name MET index 105
residue id /A:143 name GLU index 106
residue id /A:144 name THR index 107
residue id /A:145 name THR index 108
residue id /A:146 name TYR index 109
residue id /A:147 name SER index 110
residue id /A:148 name VAL index 111
residue id /A:149 name ALA index 112
residue id /A:150 name THR index 113
residue id /A:151 name VAL index 114
residue id /A:152 name CYS index 115
residue id /A:153 name HIS index 116
residue id /A:154 name PRO index 117
residue id /A:155 name ASN index 118
residue id /A:156 name GLY index 119
residue id /A:157 name SER index 120
residue id /A:158 name CYS index 121
residue id /A:159 name LEU index 122
residue id /A:160 name GLN index 123
residue id /A:161 name LEU index 124
residue id /A:162 name GLU index 125
residue id /A:163 name PRO index 126
residue id /A:164 name ASP index 127
residue id /A:165 name LEU index 128
residue id /A:166 name THR index 129
residue id /A:167 name ASN index 130
residue id /A:168 name VAL index 131
residue id /A:169 name MET index 132
residue id /A:170 name ALA index 133
residue id /A:171 name THR index 134
residue id /A:172 name SER index 135
residue id /A:173 name ARG index 136
residue id /A:174 name LYS index 137
residue id /A:175 name TYR index 138
residue id /A:176 name GLU index 139
residue id /A:177 name ASP index 140
residue id /A:178 name LEU index 141
residue id /A:179 name LEU index 142
residue id /A:180 name TRP index 143
residue id /A:181 name ALA index 144
residue id /A:182 name TRP index 145
residue id /A:183 name GLU index 146
residue id /A:184 name GLY index 147
residue id /A:185 name TRP index 148
residue id /A:186 name ARG index 149
residue id /A:187 name ASP index 150
residue id /A:188 name LYS index 151
residue id /A:189 name ALA index 152
residue id /A:190 name GLY index 153
residue id /A:191 name ARG index 154
residue id /A:192 name ALA index 155
residue id /A:193 name ILE index 156
residue id /A:194 name LEU index 157
residue id /A:195 name GLN index 158
residue id /A:196 name PHE index 159
residue id /A:197 name TYR index 160
residue id /A:198 name PRO index 161
residue id /A:199 name LYS index 162
residue id /A:200 name TYR index 163
residue id /A:201 name VAL index 164
residue id /A:202 name GLU index 165
residue id /A:203 name LEU index 166
residue id /A:204 name ILE index 167
residue id /A:205 name ASN index 168
residue id /A:206 name GLN index 169
residue id /A:207 name ALA index 170
residue id /A:208 name ALA index 171
residue id /A:209 name ARG index 172
residue id /A:210 name LEU index 173
residue id /A:211 name ASN index 174
residue id /A:212 name GLY index 175
residue id /A:213 name TYR index 176
residue id /A:214 name VAL index 177
residue id /A:215 name ASP index 178
residue id /A:216 name ALA index 179
residue id /A:217 name GLY index 180
residue id /A:218 name ASP index 181
residue id /A:219 name SER index 182
residue id /A:220 name TRP index 183
residue id /A:221 name ARG index 184
residue id /A:222 name SER index 185
residue id /A:223 name MET index 186
residue id /A:224 name TYR index 187
residue id /A:225 name GLU index 188
residue id /A:226 name THR index 189
residue id /A:227 name PRO index 190
residue id /A:228 name SER index 191
residue id /A:229 name LEU index 192
residue id /A:230 name GLU index 193
residue id /A:231 name GLN index 194
residue id /A:232 name ASP index 195
residue id /A:233 name LEU index 196
residue id /A:234 name GLU index 197
residue id /A:235 name ARG index 198
residue id /A:236 name LEU index 199
residue id /A:237 name PHE index 200
residue id /A:238 name GLN index 201
residue id /A:239 name GLU index 202
residue id /A:240 name LEU index 203
residue id /A:241 name GLN index 204
residue id /A:242 name PRO index 205
residue id /A:243 name LEU index 206
residue id /A:244 name TYR index 207
residue id /A:245 name LEU index 208
residue id /A:246 name ASN index 209
residue id /A:247 name LEU index 210
residue id /A:248 name HIS index 211
residue id /A:249 name ALA index 212
residue id /A:250 name TYR index 213
residue id /A:251 name VAL index 214
residue id /A:252 name ARG index 215
residue id /A:253 name ARG index 216
residue id /A:254 name ALA index 217
residue id /A:255 name LEU index 218
residue id /A:256 name HIS index 219
residue id /A:257 name ARG index 220
residue id /A:258 name HIS index 221
residue id /A:259 name TYR index 222
residue id /A:260 name GLY index 223
residue id /A:261 name ALA index 224
residue id /A:262 name GLN index 225
residue id /A:263 name HIS index 226
residue id /A:264 name ILE index 227
residue id /A:265 name ASN index 228
residue id /A:266 name LEU index 229
residue id /A:267 name GLU index 230
residue id /A:268 name GLY index 231
residue id /A:269 name PRO index 232
residue id /A:270 name ILE index 233
residue id /A:271 name PRO index 234
residue id /A:272 name ALA index 235
residue id /A:273 name HIS index 236
residue id /A:274 name LEU index 237
residue id /A:275 name LEU index 238
residue id /A:276 name GLY index 239
residue id /A:277 name ASN index 240
residue id /A:278 name MET index 241
residue id /A:279 name TRP index 242
residue id /A:280 name ALA index 243
residue id /A:281 name GLN index 244
residue id /A:282 name THR index 245
residue id /A:283 name TRP index 246
residue id /A:284 name SER index 247
residue id /A:285 name ASN index 248
residue id /A:286 name ILE index 249
residue id /A:287 name TYR index 250
residue id /A:288 name ASP index 251
residue id /A:289 name LEU index 252
residue id /A:290 name VAL index 253
residue id /A:291 name VAL index 254
residue id /A:292 name PRO index 255
residue id /A:293 name PHE index 256
residue id /A:294 name PRO index 257
residue id /A:295 name SER index 258
residue id /A:296 name ALA index 259
residue id /A:297 name PRO index 260
residue id /A:298 name SER index 261
residue id /A:299 name MET index 262
residue id /A:300 name ASP index 263
residue id /A:301 name THR index 264
residue id /A:302 name THR index 265
residue id /A:303 name GLU index 266
residue id /A:304 name ALA index 267
residue id /A:305 name MET index 268
residue id /A:306 name LEU index 269
residue id /A:307 name LYS index 270
residue id /A:308 name GLN index 271
residue id /A:309 name GLY index 272
residue id /A:310 name TRP index 273
residue id /A:311 name THR index 274
residue id /A:312 name PRO index 275
residue id /A:313 name ARG index 276
residue id /A:314 name ARG index 277
residue id /A:315 name MET index 278
residue id /A:316 name PHE index 279
residue id /A:317 name LYS index 280
residue id /A:318 name GLU index 281
residue id /A:319 name ALA index 282
residue id /A:320 name ASP index 283
residue id /A:321 name ASP index 284
residue id /A:322 name PHE index 285
residue id /A:323 name PHE index 286
residue id /A:324 name THR index 287
residue id /A:325 name SER index 288
residue id /A:326 name LEU index 289
residue id /A:327 name GLY index 290
residue id /A:328 name LEU index 291
residue id /A:329 name LEU index 292
residue id /A:330 name PRO index 293
residue id /A:331 name VAL index 294
residue id /A:332 name PRO index 295
residue id /A:333 name PRO index 296
residue id /A:334 name GLU index 297
residue id /A:335 name PHE index 298
residue id /A:336 name TRP index 299
residue id /A:337 name ASN index 300
residue id /A:338 name LYS index 301
residue id /A:339 name SER index 302
residue id /A:340 name MET index 303
residue id /A:341 name LEU index 304
residue id /A:342 name GLU index 305
residue id /A:343 name LYS index 306
residue id /A:344 name PRO index 307
residue id /A:345 name THR index 308
residue id /A:346 name ASP index 309
residue id /A:347 name GLY index 310
residue id /A:348 name ARG index 311
residue id /A:349 name GLU index 312
residue id /A:350 name VAL index 313
residue id /A:351 name VAL index 314
residue id /A:352 name CYS index 315
residue id /A:353 name HIS index 316
residue id /A:354 name ALA index 317
residue id /A:355 name SER index 318
residue id /A:356 name ALA index 319
residue id /A:357 name TRP index 320
residue id /A:358 name ASP index 321
residue id /A:359 name PHE index 322
residue id /A:360 name TYR index 323
residue id /A:361 name ASN index 324
residue id /A:362 name GLY index 325
residue id /A:363 name LYS index 326
residue id /A:364 name ASP index 327
residue id /A:365 name PHE index 328
residue id /A:366 name ARG index 329
residue id /A:367 name ILE index 330
residue id /A:368 name LYS index 331
residue id /A:369 name GLN index 332
residue id /A:370 name CYS index 333
residue id /A:371 name THR index 334
residue id /A:372 name THR index 335
residue id /A:373 name VAL index 336
residue id /A:374 name ASN index 337
residue id /A:375 name LEU index 338
residue id /A:376 name GLU index 339
residue id /A:377 name ASP index 340
residue id /A:378 name LEU index 341
residue id /A:379 name VAL index 342
residue id /A:380 name VAL index 343
residue id /A:381 name ALA index 344
residue id /A:382 name HIS index 345
residue id /A:383 name HIS index 346
residue id /A:384 name GLU index 347
residue id /A:385 name MET index 348
residue id /A:386 name GLY index 349
residue id /A:387 name HIS index 350
residue id /A:388 name ILE index 351
residue id /A:389 name GLN index 352
residue id /A:390 name TYR index 353
residue id /A:391 name PHE index 354
residue id /A:392 name MET index 355
residue id /A:393 name GLN index 356
residue id /A:394 name TYR index 357
residue id /A:395 name LYS index 358
residue id /A:396 name ASP index 359
residue id /A:397 name LEU index 360
residue id /A:398 name PRO index 361
residue id /A:399 name VAL index 362
residue id /A:400 name ALA index 363
residue id /A:401 name LEU index 364
residue id /A:402 name ARG index 365
residue id /A:403 name GLU index 366
residue id /A:404 name GLY index 367
residue id /A:405 name ALA index 368
residue id /A:406 name ASN index 369
residue id /A:407 name PRO index 370
residue id /A:408 name GLY index 371
residue id /A:409 name PHE index 372
residue id /A:410 name HIS index 373
residue id /A:411 name GLU index 374
residue id /A:412 name ALA index 375
residue id /A:413 name ILE index 376
residue id /A:414 name GLY index 377
residue id /A:415 name ASP index 378
residue id /A:416 name VAL index 379
residue id /A:417 name LEU index 380
residue id /A:418 name ALA index 381
residue id /A:419 name LEU index 382
residue id /A:420 name SER index 383
residue id /A:421 name VAL index 384
residue id /A:422 name SER index 385
residue id /A:423 name THR index 386
residue id /A:424 name PRO index 387
residue id /A:425 name LYS index 388
residue id /A:426 name HIS index 389
residue id /A:427 name LEU index 390
residue id /A:428 name HIS index 391
residue id /A:429 name SER index 392
residue id /A:430 name LEU index 393
residue id /A:431 name ASN index 394
residue id /A:432 name LEU index 395
residue id /A:433 name LEU index 396
residue id /A:434 name SER index 397
residue id /A:439 name SER index 402
residue id /A:440 name ASP index 403
residue id /A:441 name GLU index 404
residue id /A:442 name HIS index 405
residue id /A:443 name ASP index 406
residue id /A:444 name ILE index 407
residue id /A:445 name ASN index 408
residue id /A:446 name PHE index 409
residue id /A:447 name LEU index 410
residue id /A:448 name MET index 411
residue id /A:449 name LYS index 412
residue id /A:450 name MET index 413
residue id /A:451 name ALA index 414
residue id /A:452 name LEU index 415
residue id /A:453 name ASP index 416
residue id /A:454 name LYS index 417
residue id /A:455 name ILE index 418
residue id /A:456 name ALA index 419
residue id /A:457 name PHE index 420
residue id /A:458 name ILE index 421
residue id /A:459 name PRO index 422
residue id /A:460 name PHE index 423
residue id /A:461 name SER index 424
residue id /A:462 name TYR index 425
residue id /A:463 name LEU index 426
residue id /A:464 name VAL index 427
residue id /A:465 name ASP index 428
residue id /A:466 name GLN index 429
residue id /A:467 name TRP index 430
residue id /A:468 name ARG index 431
residue id /A:469 name TRP index 432
residue id /A:470 name ARG index 433
residue id /A:471 name VAL index 434
residue id /A:472 name PHE index 435
residue id /A:473 name ASP index 436
residue id /A:474 name GLY index 437
residue id /A:475 name SER index 438
residue id /A:476 name ILE index 439
residue id /A:477 name THR index 440
residue id /A:478 name LYS index 441
residue id /A:479 name GLU index 442
residue id /A:480 name ASN index 443
residue id /A:481 name TYR index 444
residue id /A:482 name ASN index 445
residue id /A:483 name GLN index 446
residue id /A:484 name GLU index 447
residue id /A:485 name TRP index 448
residue id /A:486 name TRP index 449
residue id /A:487 name SER index 450
residue id /A:488 name LEU index 451
residue id /A:489 name ARG index 452
residue id /A:490 name LEU index 453
residue id /A:491 name LYS index 454
residue id /A:492 name TYR index 455
residue id /A:493 name GLN index 456
residue id /A:494 name GLY index 457
residue id /A:495 name LEU index 458
residue id /A:496 name CYS index 459
residue id /A:497 name PRO index 460
residue id /A:498 name PRO index 461
residue id /A:499 name VAL index 462
residue id /A:500 name PRO index 463
residue id /A:501 name ARG index 464
residue id /A:502 name THR index 465
residue id /A:503 name GLN index 466
residue id /A:504 name GLY index 467
residue id /A:505 name ASP index 468
residue id /A:506 name PHE index 469
residue id /A:507 name ASP index 470
residue id /A:508 name PRO index 471
residue id /A:509 name GLY index 472
residue id /A:510 name ALA index 473
residue id /A:511 name LYS index 474
residue id /A:512 name PHE index 475
residue id /A:513 name HIS index 476
residue id /A:514 name ILE index 477
residue id /A:515 name PRO index 478
residue id /A:516 name SER index 479
residue id /A:517 name SER index 480
residue id /A:518 name VAL index 481
residue id /A:519 name PRO index 482
residue id /A:520 name TYR index 483
residue id /A:521 name ILE index 484
residue id /A:522 name ARG index 485
residue id /A:523 name TYR index 486
residue id /A:524 name PHE index 487
residue id /A:525 name VAL index 488
residue id /A:526 name SER index 489
residue id /A:527 name PHE index 490
residue id /A:528 name ILE index 491
residue id /A:529 name ILE index 492
residue id /A:530 name GLN index 493
residue id /A:531 name PHE index 494
residue id /A:532 name GLN index 495
residue id /A:533 name PHE index 496
residue id /A:534 name HIS index 497
residue id /A:535 name GLU index 498
residue id /A:536 name ALA index 499
residue id /A:537 name LEU index 500
residue id /A:538 name CYS index 501
residue id /A:539 name GLN index 502
residue id /A:540 name ALA index 503
residue id /A:541 name ALA index 504
residue id /A:542 name GLY index 505
residue id /A:543 name HIS index 506
residue id /A:544 name THR index 507
residue id /A:545 name GLY index 508
residue id /A:546 name PRO index 509
residue id /A:547 name LEU index 510
residue id /A:548 name HIS index 511
residue id /A:549 name LYS index 512
residue id /A:550 name CYS index 513
residue id /A:551 name ASP index 514
residue id /A:552 name ILE index 515
residue id /A:553 name TYR index 516
residue id /A:554 name GLN index 517
residue id /A:555 name SER index 518
residue id /A:556 name LYS index 519
residue id /A:557 name GLU index 520
residue id /A:558 name ALA index 521
residue id /A:559 name GLY index 522
residue id /A:560 name GLN index 523
residue id /A:561 name ARG index 524
residue id /A:562 name LEU index 525
residue id /A:563 name ALA index 526
residue id /A:564 name THR index 527
residue id /A:565 name ALA index 528
residue id /A:566 name MET index 529
residue id /A:567 name LYS index 530
residue id /A:568 name LEU index 531
residue id /A:569 name GLY index 532
residue id /A:570 name PHE index 533
residue id /A:571 name SER index 534
residue id /A:572 name ARG index 535
residue id /A:573 name PRO index 536
residue id /A:574 name TRP index 537
residue id /A:575 name PRO index 538
residue id /A:576 name GLU index 539
residue id /A:577 name ALA index 540
residue id /A:578 name MET index 541
residue id /A:579 name GLN index 542
residue id /A:580 name LEU index 543
residue id /A:581 name ILE index 544
residue id /A:582 name THR index 545
residue id /A:583 name GLY index 546
residue id /A:584 name GLN index 547
residue id /A:585 name PRO index 548
residue id /A:586 name ASN index 549
residue id /A:587 name MET index 550
residue id /A:588 name SER index 551
residue id /A:589 name ALA index 552
residue id /A:590 name SER index 553
residue id /A:591 name ALA index 554
residue id /A:592 name MET index 555
residue id /A:593 name LEU index 556
residue id /A:594 name SER index 557
residue id /A:595 name TYR index 558
residue id /A:596 name PHE index 559
residue id /A:597 name LYS index 560
residue id /A:598 name PRO index 561
residue id /A:599 name LEU index 562
residue id /A:600 name LEU index 563
residue id /A:601 name ASP index 564
residue id /A:602 name TRP index 565
residue id /A:603 name LEU index 566
residue id /A:604 name ARG index 567
residue id /A:605 name THR index 568
residue id /A:606 name GLU index 569
residue id /A:607 name ASN index 570
residue id /A:608 name GLU index 571
residue id /A:609 name LEU index 572
residue id /A:610 name HIS index 573
residue id /A:611 name GLY index 574
residue id /A:612 name GLU index 575
residue id /A:613 name LYS index 576
residue id /A:614 name LEU index 577
residue id /A:615 name GLY index 578
residue id /A:616 name TRP index 579
residue id /A:617 name PRO index 580
residue id /A:618 name GLN index 581
residue id /A:2000 name GLY
residue id /A:701 name ZN
residue id /A:702 name LPR
residue id /A:703 name CL
residue id /A:704 name CL
> delete :LPR
> ui tool show "Model Loops"
[Repeated 1 time(s)]No alignments chosen for modeling
> ui tool show "Show Sequence Viewer"
> sequence chain /A
Alignment identifier is 1/A
> modeller refine 1/A:1:internal-missing numModels 5 fast false
> adjacentFlexible 1 protocol standard
Webservices job id: OY6Z3Y1UID32AKNX
Webservices job finished: OY6Z3Y1UID32AKNX
[Repeated 13 time(s)]Modeller job (ID OY6Z3Y1UID32AKNX) finished
Traceback (most recent call last):
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/gui.py", line 845, in customEvent
func(*args, **kw)
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/modeller/common.py", line 607, in on_finish
self.caller.process_ok_models(model_info, get_pdb_model)
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/modeller/common.py", line 421, in process_ok_models
existing.numbers = new_numbers
^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/molc.py", line 232, in set_prop
va[:] = values
~~^^^
ValueError: could not broadcast input array from shape (579,) into shape
(580,)
ValueError: could not broadcast input array from shape (579,) into shape
(580,)
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/molc.py", line 232, in set_prop
va[:] = values
~~^^^
See log for complete Python traceback.
OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M1
OpenGL vendor: Apple
Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: Mac mini
Model Identifier: Macmini9,1
Model Number: G12N1LL/A
Chip: Apple M1
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 16 GB
System Firmware Version: 10151.101.3
OS Loader Version: 10151.101.3
Software:
System Software Overview:
System Version: macOS 14.4.1 (23E224)
Kernel Version: Darwin 23.4.0
Time since boot: 2 days, 1 hour, 35 minutes
Graphics/Displays:
Apple M1:
Chipset Model: Apple M1
Type: GPU
Bus: Built-In
Total Number of Cores: 8
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
DELL U3011:
Resolution: 2560 x 1600
UI Looks like: 2560 x 1600 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
Installed Packages:
alabaster: 1.0.0
anyio: 4.8.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.0
auditwheel: 6.2.0
babel: 2.17.0
beautifulsoup4: 4.13.3
blockdiag: 3.0.0
blosc2: 3.1.1
build: 1.2.1
certifi: 2023.11.17
cftime: 1.6.4.post1
charset-normalizer: 3.4.1
ChimeraX-AddCharge: 1.5.18
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.19.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Aniso: 1.0.1
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.60.5
ChimeraX-AtomicLibrary: 14.1.13
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.4.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.4
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.10.dev202502260530
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.4
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.5
ChimeraX-DockPrep: 1.1.4
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.5.1
ChimeraX-Label: 1.1.14
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.1.7
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.2
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.18
ChimeraX-ModelPanel: 1.5
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.14.1
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.7
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.2
ChimeraX-ProfileGrids: 1.0.1
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.3
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.7
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.0
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.44
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.4
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.2
contourpy: 1.3.1
coverage: 7.6.12
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.12
debugpy: 1.8.12
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.0
filelock: 3.17.0
fonttools: 4.56.0
funcparserlib: 2.0.0a0
glfw: 2.8.0
grako: 3.16.5
h11: 0.14.0
h5py: 3.13.0
html2text: 2024.2.26
httpcore: 1.0.7
httpx: 0.28.1
idna: 3.10
ihm: 1.3
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.0.0
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.5
jedi: 0.19.1
Jinja2: 3.1.5
jupyter_client: 8.6.2
jupyter_core: 5.7.2
jupyterlab_widgets: 3.0.13
kiwisolver: 1.4.8
line_profiler: 4.2.0
lxml: 5.2.2
lz4: 4.4.3
MarkupSafe: 3.0.2
matplotlib: 3.9.2
matplotlib-inline: 0.1.7
msgpack: 1.1.0
ndindex: 1.9.2
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.2
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 23.2
pandas: 2.2.3
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.4.0
pip: 25.0.1
pkginfo: 1.11.1
platformdirs: 4.3.6
pluggy: 1.5.0
prompt_toolkit: 3.0.50
psutil: 6.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.32
Pygments: 2.18.0
pynmrstar: 3.3.5
pynrrd: 1.0.0
PyOpenGL: 3.1.9
PyOpenGL-accelerate: 3.1.9
pyopenxr: 1.0.3401
pyparsing: 3.2.1
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.8.1
PyQt6-Qt6: 6.8.2
PyQt6-WebEngine-commercial: 6.8.0
PyQt6-WebEngine-Qt6: 6.8.2
PyQt6_sip: 13.10.0
pytest: 8.3.4
pytest-cov: 6.0.0
python-dateutil: 2.9.0.post0
pytz: 2025.1
pyzmq: 26.2.1
qtconsole: 5.5.2
QtPy: 2.4.3
qtshim: 1.1
RandomWords: 0.4.0
requests: 2.32.3
scipy: 1.14.0
setuptools: 72.1.0
sfftk-rw: 0.8.1
six: 1.16.0
sniffio: 1.3.1
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.6
Sphinx: 8.1.3
sphinx-autodoc-typehints: 3.0.1
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
stack-data: 0.6.3
superqt: 0.7.1
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2024.7.24
tinyarray: 1.2.4
tornado: 6.4.2
traitlets: 5.14.3
typing_extensions: 4.12.2
tzdata: 2025.1
urllib3: 2.3.0
wcwidth: 0.2.13
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.13
Change History (6)
comment:1 by , 8 months ago
| Component: | Unassigned → Structure Prediction |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Modeller failure |
comment:2 by , 8 months ago
comment:3 by , 8 months ago
I hear a lot we’ll DOCK 6 has a much steeper learning curve than other docking packages but it’s better in the end so the way to climb a steep learning curve is grinding through examples. What I’m doing these days is going thru the DOCK 6 tutorials step by step, eg the first one… https://ringo.ams.stonybrook.edu/index.php/2025_DOCK_tutorial_1_with_PDBID_1O86 anytime I see something like “you need to do this step with chimera” because a certain feature is not available in chimerax then I’ll add/fix/debug it for chimerax. Today I’m working on adding sphgen to chimerax Keep me in the loop what you want to do with viewdockx, and where you’re at, so I can pitch in On Fri, Feb 28, 2025 at 16:31 ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu> wrote: > >
comment:4 by , 8 months ago
Info from Ben Webb:
On 2/28/25 3:13 PM, Eric Pettersen wrote:
Okay, the problem happens when modeling the missing internal loops of 1o86 (from its mmCIF file, not PDB). That structure has an isolated GLY ligand with residue number 2000. Despite the fact that that GLY is after a TER card and is not included in the alignment sequence (except as a '.'), the Modeller output adds it to the end of chain A instead of maintaining it as a ligand. I've attached the input alignment, the input PDB, and the output model PDB. Is this something that should be fixed in Modeller, or should the input be different for this system?
Oh, this is a Modeller bug. The problem is that Modeller ignores TER
records in template structures. It uses the CHARMM forcefield which for
GLN includes "BOND C +N", i.e. make a bond to the N in the next residue,
and there's a perfectly good N in GLY 2000 (CHARMM doesn't say the N has
to be in an amino acid or that it has to be a peptide bond, just that
the atom is called "N"). On output it places the TER at the end of the
connected chain, and because of that bond that TER will end up after GLY
2000, not before.
Probably the only reliable fix for this would be to read the TER record.
That would be a non-trivial change, but I'll add it to our bug tracker. Workarounds would be to reorder the ligands so the ZN or CL comes before GLY, or modify the alignment to replace one of the gaps (-) before your '.' residues with a chain break (/).
The 1o86 structure was read from its mmCIF file, which is why the GLY ligand can have a 4-digit residue number, but the input being provided to Modeller is a PDB file.
If you're routinely working with larger residue numbers (although 4 digits are fine even in PDB format) Modeller can read mmCIF format directly (it can also write it but its support for non-polymers is still rather rudimentary). It also understands hybrid-36 atom and residue numbers.
comment:5 by , 8 months ago
So my plan for a "fix" is to try to order the post-chain residues so that the first one does not contain an "N" atom if possible.
comment:6 by , 6 months ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
Worked around the Modeller bug as best as possible.
Fix: https://github.com/RBVI/ChimeraX/commit/56dfd2264dd7c45db56ebfe1759e8e986401ccfd
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Problem is due to the isolated glycine ligand with residue number 2000. Am asking Modeller folk what the appropriate course of action is.