id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
20762	ChimeraX bug report submission	gwshim0189@…		"{{{
The following bug report has been submitted:
Platform:        Windows-10-10.0.22631
ChimeraX Version: 1.12 (2026-06-12 03:42:34 UTC)
Description
Replace this text with list of actions that caused this problem to occur

Log:
UCSF ChimeraX version: 1.12 (2026-06-12)  
© 2016-2026 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open ""C:/Users/gwshi/Downloads/6OF8 (1).pdb""

6OF8 (1).pdb title:  
Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and
PHE467MET mutant human camkii-α hub domain [more info...]  
  
Chain information for 6OF8 (1).pdb #1  
---  
Chain | Description | UniProt  
A B C D E F G | CAMK-II subunit α | KCC2A_HUMAN 345-475  
  
Non-standard residues in 6OF8 (1).pdb #1  
---  
GOL — glycerol (glycerin; propane-1,2,3-triol)  
K — potassium ion  
  

> ui tool show Rotamers

> select /A:403

14 atoms, 15 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel PHE rotLib Dynameomics

/A TRP 403: phi -113.7, psi 110.8 trans  
Changed 54 bond radii  

> hbonds #!1 & ~#!1/A:403 & ~solvent reveal true restrict #1.3 & ~@c,ca,n

0 hydrogen bonds found  
No rotamers selected  
[Repeated 1 time(s)]

> info residues

residue id #!1/F:346 name ARG index 5  
residue id #!1/F:347 name LYS index 6  
residue id #!1/F:348 name GLN index 7  
residue id #!1/F:349 name GLU index 8  
residue id #!1/F:350 name ILE index 9  
residue id #!1/F:351 name ILE index 10  
residue id #!1/F:352 name LYS index 11  
residue id #!1/F:353 name VAL index 12  
residue id #!1/F:354 name ASN index 13  
residue id #!1/F:355 name GLN index 14  
residue id #!1/F:356 name GLN index 15  
residue id #!1/F:357 name LEU index 16  
residue id #!1/F:358 name ILE index 17  
residue id #!1/F:359 name GLU index 18  
residue id #!1/F:360 name ALA index 19  
residue id #!1/F:361 name ILE index 20  
residue id #!1/F:362 name SER index 21  
residue id #!1/F:363 name ASN index 22  
residue id #!1/F:364 name GLY index 23  
residue id #!1/F:365 name ASP index 24  
residue id #!1/F:366 name PHE index 25  
residue id #!1/F:367 name GLU index 26  
residue id #!1/F:368 name SER index 27  
residue id #!1/F:369 name TYR index 28  
residue id #!1/F:370 name THR index 29  
residue id #!1/F:371 name LYS index 30  
residue id #!1/F:372 name MET index 31  
residue id #!1/F:373 name CYS index 32  
residue id #!1/F:374 name ASP index 33  
residue id #!1/F:375 name PRO index 34  
residue id #!1/F:376 name GLY index 35  
residue id #!1/F:377 name MET index 36  
residue id #!1/F:378 name THR index 37  
residue id #!1/F:379 name ALA index 38  
residue id #!1/F:380 name PHE index 39  
residue id #!1/F:381 name GLU index 40  
residue id #!1/F:382 name PRO index 41  
residue id #!1/F:383 name GLU index 42  
residue id #!1/F:384 name ALA index 43  
residue id #!1/F:385 name LEU index 44  
residue id #!1/F:386 name GLY index 45  
residue id #!1/F:387 name ASN index 46  
residue id #!1/F:388 name LEU index 47  
residue id #!1/F:389 name VAL index 48  
residue id #!1/F:390 name GLU index 49  
residue id #!1/F:391 name GLY index 50  
residue id #!1/F:392 name LEU index 51  
residue id #!1/F:393 name ASP index 52  
residue id #!1/F:394 name PHE index 53  
residue id #!1/F:395 name HIS index 54  
residue id #!1/F:396 name ARG index 55  
residue id #!1/F:397 name PHE index 56  
residue id #!1/F:398 name TYR index 57  
residue id #!1/F:399 name PHE index 58  
residue id #!1/F:400 name GLU index 59  
residue id #!1/F:401 name ASN index 60  
residue id #!1/F:402 name LEU index 61  
residue id #!1/F:403 name TRP index 62  
residue id #!1/F:404 name SER index 63  
residue id #!1/F:405 name ARG index 64  
residue id #!1/F:406 name ASN index 65  
residue id #!1/F:407 name SER index 66  
residue id #!1/F:408 name LYS index 67  
residue id #!1/F:409 name PRO index 68  
residue id #!1/F:410 name VAL index 69  
residue id #!1/F:411 name HIS index 70  
residue id #!1/F:412 name ASN index 71  
residue id #!1/F:413 name THR index 72  
residue id #!1/F:414 name MET index 73  
residue id #!1/F:415 name LEU index 74  
residue id #!1/F:416 name ASN index 75  
residue id #!1/F:417 name PRO index 76  
residue id #!1/F:418 name HIS index 77  
residue id #!1/F:419 name ILE index 78  
residue id #!1/F:420 name HIS index 79  
residue id #!1/F:421 name LEU index 80  
residue id #!1/F:422 name MET index 81  
residue id #!1/F:423 name GLY index 82  
residue id #!1/F:424 name ASP index 83  
residue id #!1/F:425 name GLU index 84  
residue id #!1/F:426 name SER index 85  
residue id #!1/F:427 name ALA index 86  
residue id #!1/F:428 name CYS index 87  
residue id #!1/F:429 name ILE index 88  
residue id #!1/F:430 name ALA index 89  
residue id #!1/F:431 name TYR index 90  
residue id #!1/F:432 name ILE index 91  
residue id #!1/F:433 name ARG index 92  
residue id #!1/F:434 name ILE index 93  
residue id #!1/F:435 name THR index 94  
residue id #!1/F:436 name GLN index 95  
residue id #!1/F:437 name TYR index 96  
residue id #!1/F:438 name LEU index 97  
residue id #!1/F:439 name ASP index 98  
residue id #!1/F:440 name ALA index 99  
residue id #!1/F:441 name GLY index 100  
residue id #!1/F:442 name GLY index 101  
residue id #!1/F:443 name ILE index 102  
residue id #!1/F:444 name PRO index 103  
residue id #!1/F:445 name ARG index 104  
residue id #!1/F:446 name THR index 105  
residue id #!1/F:447 name ALA index 106  
residue id #!1/F:448 name GLN index 107  
residue id #!1/F:449 name SER index 108  
residue id #!1/F:450 name GLU index 109  
residue id #!1/F:451 name GLU index 110  
residue id #!1/F:452 name THR index 111  
residue id #!1/F:453 name ARG index 112  
residue id #!1/F:454 name VAL index 113  
residue id #!1/F:455 name TRP index 114  
residue id #!1/F:456 name HIS index 115  
residue id #!1/F:457 name ARG index 116  
residue id #!1/F:458 name ARG index 117  
residue id #!1/F:459 name ASP index 118  
residue id #!1/F:460 name GLY index 119  
residue id #!1/F:461 name LYS index 120  
residue id #!1/F:462 name TRP index 121  
residue id #!1/F:463 name GLN index 122  
residue id #!1/F:464 name HIS index 123  
residue id #!1/F:465 name VAL index 124  
residue id #!1/F:466 name HIS index 125  
residue id #!1/F:467 name MET index 126  
residue id #!1/F:468 name HIS index 127  
residue id #!1/F:469 name ARG index 128  
residue id #!1/F:470 name SER index 129  
residue id #!1/F:471 name GLY index 130  
residue id #!1/F:472 name ALA index 131  
residue id #!1/F:473 name PRO index 132  
residue id #!1/B:343 name HIS index 2  
residue id #!1/B:344 name MET index 3  
residue id #!1/B:345 name VAL index 4  
residue id #!1/B:346 name ARG index 5  
residue id #!1/B:347 name LYS index 6  
residue id #!1/B:348 name GLN index 7  
residue id #!1/B:349 name GLU index 8  
residue id #!1/B:350 name ILE index 9  
residue id #!1/B:351 name ILE index 10  
residue id #!1/B:352 name LYS index 11  
residue id #!1/B:353 name VAL index 12  
residue id #!1/B:354 name ASN index 13  
residue id #!1/B:355 name GLN index 14  
residue id #!1/B:356 name GLN index 15  
residue id #!1/B:357 name LEU index 16  
residue id #!1/B:358 name ILE index 17  
residue id #!1/B:359 name GLU index 18  
residue id #!1/B:360 name ALA index 19  
residue id #!1/B:361 name ILE index 20  
residue id #!1/B:362 name SER index 21  
residue id #!1/B:363 name ASN index 22  
residue id #!1/B:364 name GLY index 23  
residue id #!1/B:365 name ASP index 24  
residue id #!1/B:366 name PHE index 25  
residue id #!1/B:367 name GLU index 26  
residue id #!1/B:368 name SER index 27  
residue id #!1/B:369 name TYR index 28  
residue id #!1/B:370 name THR index 29  
residue id #!1/B:371 name LYS index 30  
residue id #!1/B:372 name MET index 31  
residue id #!1/B:373 name CYS index 32  
residue id #!1/B:374 name ASP index 33  
residue id #!1/B:375 name PRO index 34  
residue id #!1/B:376 name GLY index 35  
residue id #!1/B:377 name MET index 36  
residue id #!1/B:378 name THR index 37  
residue id #!1/B:379 name ALA index 38  
residue id #!1/B:380 name PHE index 39  
residue id #!1/B:381 name GLU index 40  
residue id #!1/B:382 name PRO index 41  
residue id #!1/B:383 name GLU index 42  
residue id #!1/B:384 name ALA index 43  
residue id #!1/B:385 name LEU index 44  
residue id #!1/B:386 name GLY index 45  
residue id #!1/B:387 name ASN index 46  
residue id #!1/B:388 name LEU index 47  
residue id #!1/B:389 name VAL index 48  
residue id #!1/B:390 name GLU index 49  
residue id #!1/B:391 name GLY index 50  
residue id #!1/B:392 name LEU index 51  
residue id #!1/B:393 name ASP index 52  
residue id #!1/B:394 name PHE index 53  
residue id #!1/B:395 name HIS index 54  
residue id #!1/B:396 name ARG index 55  
residue id #!1/B:397 name PHE index 56  
residue id #!1/B:398 name TYR index 57  
residue id #!1/B:399 name PHE index 58  
residue id #!1/B:400 name GLU index 59  
residue id #!1/B:401 name ASN index 60  
residue id #!1/B:402 name LEU index 61  
residue id #!1/B:403 name TRP index 62  
residue id #!1/B:404 name SER index 63  
residue id #!1/B:405 name ARG index 64  
residue id #!1/B:406 name ASN index 65  
residue id #!1/B:407 name SER index 66  
residue id #!1/B:408 name LYS index 67  
residue id #!1/B:409 name PRO index 68  
residue id #!1/B:410 name VAL index 69  
residue id #!1/B:411 name HIS index 70  
residue id #!1/B:412 name ASN index 71  
residue id #!1/B:413 name THR index 72  
residue id #!1/B:414 name MET index 73  
residue id #!1/B:415 name LEU index 74  
residue id #!1/B:416 name ASN index 75  
residue id #!1/B:417 name PRO index 76  
residue id #!1/B:418 name HIS index 77  
residue id #!1/B:419 name ILE index 78  
residue id #!1/B:420 name HIS index 79  
residue id #!1/B:421 name LEU index 80  
residue id #!1/B:422 name MET index 81  
residue id #!1/B:423 name GLY index 82  
residue id #!1/B:424 name ASP index 83  
residue id #!1/B:425 name GLU index 84  
residue id #!1/B:426 name SER index 85  
residue id #!1/B:427 name ALA index 86  
residue id #!1/B:428 name CYS index 87  
residue id #!1/B:429 name ILE index 88  
residue id #!1/B:430 name ALA index 89  
residue id #!1/B:431 name TYR index 90  
residue id #!1/B:432 name ILE index 91  
residue id #!1/B:433 name ARG index 92  
residue id #!1/B:434 name ILE index 93  
residue id #!1/B:435 name THR index 94  
residue id #!1/B:436 name GLN index 95  
residue id #!1/B:437 name TYR index 96  
residue id #!1/B:438 name LEU index 97  
residue id #!1/B:439 name ASP index 98  
residue id #!1/B:440 name ALA index 99  
residue id #!1/B:441 name GLY index 100  
residue id #!1/B:442 name GLY index 101  
residue id #!1/B:443 name ILE index 102  
residue id #!1/B:444 name PRO index 103  
residue id #!1/B:445 name ARG index 104  
residue id #!1/B:446 name THR index 105  
residue id #!1/B:447 name ALA index 106  
residue id #!1/B:448 name GLN index 107  
residue id #!1/B:449 name SER index 108  
residue id #!1/B:450 name GLU index 109  
residue id #!1/B:451 name GLU index 110  
residue id #!1/B:452 name THR index 111  
residue id #!1/B:453 name ARG index 112  
residue id #!1/B:454 name VAL index 113  
residue id #!1/B:455 name TRP index 114  
residue id #!1/B:456 name HIS index 115  
residue id #!1/B:457 name ARG index 116  
residue id #!1/B:458 name ARG index 117  
residue id #!1/B:459 name ASP index 118  
residue id #!1/B:460 name GLY index 119  
residue id #!1/B:461 name LYS index 120  
residue id #!1/B:462 name TRP index 121  
residue id #!1/B:463 name GLN index 122  
residue id #!1/B:464 name HIS index 123  
residue id #!1/B:465 name VAL index 124  
residue id #!1/B:466 name HIS index 125  
residue id #!1/B:467 name MET index 126  
residue id #!1/B:468 name HIS index 127  
residue id #!1/B:469 name ARG index 128  
residue id #!1/B:470 name SER index 129  
residue id #!1/B:471 name GLY index 130  
residue id #!1/B:472 name ALA index 131  
residue id #!1/C:343 name HIS index 2  
residue id #!1/C:344 name MET index 3  
residue id #!1/C:345 name VAL index 4  
residue id #!1/C:346 name ARG index 5  
residue id #!1/C:347 name LYS index 6  
residue id #!1/C:348 name GLN index 7  
residue id #!1/C:349 name GLU index 8  
residue id #!1/C:350 name ILE index 9  
residue id #!1/C:351 name ILE index 10  
residue id #!1/C:352 name LYS index 11  
residue id #!1/C:353 name VAL index 12  
residue id #!1/C:354 name ASN index 13  
residue id #!1/C:355 name GLN index 14  
residue id #!1/C:356 name GLN index 15  
residue id #!1/C:357 name LEU index 16  
residue id #!1/C:358 name ILE index 17  
residue id #!1/C:359 name GLU index 18  
residue id #!1/C:360 name ALA index 19  
residue id #!1/C:361 name ILE index 20  
residue id #!1/C:362 name SER index 21  
residue id #!1/C:363 name ASN index 22  
residue id #!1/C:364 name GLY index 23  
residue id #!1/C:365 name ASP index 24  
residue id #!1/C:366 name PHE index 25  
residue id #!1/C:367 name GLU index 26  
residue id #!1/C:368 name SER index 27  
residue id #!1/C:369 name TYR index 28  
residue id #!1/C:370 name THR index 29  
residue id #!1/C:371 name LYS index 30  
residue id #!1/C:372 name MET index 31  
residue id #!1/C:373 name CYS index 32  
residue id #!1/C:374 name ASP index 33  
residue id #!1/C:375 name PRO index 34  
residue id #!1/C:376 name GLY index 35  
residue id #!1/C:377 name MET index 36  
residue id #!1/C:378 name THR index 37  
residue id #!1/C:379 name ALA index 38  
residue id #!1/C:380 name PHE index 39  
residue id #!1/C:381 name GLU index 40  
residue id #!1/C:382 name PRO index 41  
residue id #!1/C:383 name GLU index 42  
residue id #!1/C:384 name ALA index 43  
residue id #!1/C:385 name LEU index 44  
residue id #!1/C:386 name GLY index 45  
residue id #!1/C:387 name ASN index 46  
residue id #!1/C:388 name LEU index 47  
residue id #!1/C:389 name VAL index 48  
residue id #!1/C:390 name GLU index 49  
residue id #!1/C:391 name GLY index 50  
residue id #!1/C:392 name LEU index 51  
residue id #!1/C:393 name ASP index 52  
residue id #!1/C:394 name PHE index 53  
residue id #!1/C:395 name HIS index 54  
residue id #!1/C:396 name ARG index 55  
residue id #!1/C:397 name PHE index 56  
residue id #!1/C:398 name TYR index 57  
residue id #!1/C:399 name PHE index 58  
residue id #!1/C:400 name GLU index 59  
residue id #!1/C:401 name ASN index 60  
residue id #!1/C:402 name LEU index 61  
residue id #!1/C:403 name TRP index 62  
residue id #!1/C:404 name SER index 63  
residue id #!1/C:405 name ARG index 64  
residue id #!1/C:406 name ASN index 65  
residue id #!1/C:407 name SER index 66  
residue id #!1/C:408 name LYS index 67  
residue id #!1/C:409 name PRO index 68  
residue id #!1/C:410 name VAL index 69  
residue id #!1/C:411 name HIS index 70  
residue id #!1/C:412 name ASN index 71  
residue id #!1/C:413 name THR index 72  
residue id #!1/C:414 name MET index 73  
residue id #!1/C:415 name LEU index 74  
residue id #!1/C:416 name ASN index 75  
residue id #!1/C:417 name PRO index 76  
residue id #!1/C:418 name HIS index 77  
residue id #!1/C:419 name ILE index 78  
residue id #!1/C:420 name HIS index 79  
residue id #!1/C:421 name LEU index 80  
residue id #!1/C:422 name MET index 81  
residue id #!1/C:423 name GLY index 82  
residue id #!1/C:424 name ASP index 83  
residue id #!1/C:425 name GLU index 84  
residue id #!1/C:426 name SER index 85  
residue id #!1/C:427 name ALA index 86  
residue id #!1/C:428 name CYS index 87  
residue id #!1/C:429 name ILE index 88  
residue id #!1/C:430 name ALA index 89  
residue id #!1/C:431 name TYR index 90  
residue id #!1/C:432 name ILE index 91  
residue id #!1/C:433 name ARG index 92  
residue id #!1/C:434 name ILE index 93  
residue id #!1/C:435 name THR index 94  
residue id #!1/C:436 name GLN index 95  
residue id #!1/C:437 name TYR index 96  
residue id #!1/C:438 name LEU index 97  
residue id #!1/C:439 name ASP index 98  
residue id #!1/C:440 name ALA index 99  
residue id #!1/C:441 name GLY index 100  
residue id #!1/C:442 name GLY index 101  
residue id #!1/C:443 name ILE index 102  
residue id #!1/C:444 name PRO index 103  
residue id #!1/C:445 name ARG index 104  
residue id #!1/C:446 name THR index 105  
residue id #!1/C:447 name ALA index 106  
residue id #!1/C:448 name GLN index 107  
residue id #!1/C:449 name SER index 108  
residue id #!1/C:450 name GLU index 109  
residue id #!1/C:451 name GLU index 110  
residue id #!1/C:452 name THR index 111  
residue id #!1/C:453 name ARG index 112  
residue id #!1/C:454 name VAL index 113  
residue id #!1/C:455 name TRP index 114  
residue id #!1/C:456 name HIS index 115  
residue id #!1/C:457 name ARG index 116  
residue id #!1/C:458 name ARG index 117  
residue id #!1/C:459 name ASP index 118  
residue id #!1/C:460 name GLY index 119  
residue id #!1/C:461 name LYS index 120  
residue id #!1/C:462 name TRP index 121  
residue id #!1/C:463 name GLN index 122  
residue id #!1/C:464 name HIS index 123  
residue id #!1/C:465 name VAL index 124  
residue id #!1/C:466 name HIS index 125  
residue id #!1/C:467 name MET index 126  
residue id #!1/C:468 name HIS index 127  
residue id #!1/C:469 name ARG index 128  
residue id #!1/C:470 name SER index 129  
residue id #!1/C:471 name GLY index 130  
residue id #!1/C:472 name ALA index 131  
residue id #!1/G:343 name HIS index 2  
residue id #!1/G:344 name MET index 3  
residue id #!1/G:345 name VAL index 4  
residue id #!1/G:346 name ARG index 5  
residue id #!1/G:347 name LYS index 6  
residue id #!1/G:348 name GLN index 7  
residue id #!1/G:349 name GLU index 8  
residue id #!1/G:350 name ILE index 9  
residue id #!1/G:351 name ILE index 10  
residue id #!1/G:352 name LYS index 11  
residue id #!1/G:353 name VAL index 12  
residue id #!1/G:354 name ASN index 13  
residue id #!1/G:355 name GLN index 14  
residue id #!1/G:356 name GLN index 15  
residue id #!1/G:357 name LEU index 16  
residue id #!1/G:358 name ILE index 17  
residue id #!1/G:359 name GLU index 18  
residue id #!1/G:360 name ALA index 19  
residue id #!1/G:361 name ILE index 20  
residue id #!1/G:362 name SER index 21  
residue id #!1/G:363 name ASN index 22  
residue id #!1/G:364 name GLY index 23  
residue id #!1/G:365 name ASP index 24  
residue id #!1/G:366 name PHE index 25  
residue id #!1/G:367 name GLU index 26  
residue id #!1/G:368 name SER index 27  
residue id #!1/G:369 name TYR index 28  
residue id #!1/G:370 name THR index 29  
residue id #!1/G:371 name LYS index 30  
residue id #!1/G:372 name MET index 31  
residue id #!1/G:373 name CYS index 32  
residue id #!1/G:374 name ASP index 33  
residue id #!1/G:375 name PRO index 34  
residue id #!1/G:376 name GLY index 35  
residue id #!1/G:377 name MET index 36  
residue id #!1/G:378 name THR index 37  
residue id #!1/G:379 name ALA index 38  
residue id #!1/G:380 name PHE index 39  
residue id #!1/G:381 name GLU index 40  
residue id #!1/G:382 name PRO index 41  
residue id #!1/G:383 name GLU index 42  
residue id #!1/G:384 name ALA index 43  
residue id #!1/G:385 name LEU index 44  
residue id #!1/G:386 name GLY index 45  
residue id #!1/G:387 name ASN index 46  
residue id #!1/G:388 name LEU index 47  
residue id #!1/G:389 name VAL index 48  
residue id #!1/G:390 name GLU index 49  
residue id #!1/G:391 name GLY index 50  
residue id #!1/G:392 name LEU index 51  
residue id #!1/G:393 name ASP index 52  
residue id #!1/G:394 name PHE index 53  
residue id #!1/G:395 name HIS index 54  
residue id #!1/G:396 name ARG index 55  
residue id #!1/G:397 name PHE index 56  
residue id #!1/G:398 name TYR index 57  
residue id #!1/G:399 name PHE index 58  
residue id #!1/G:400 name GLU index 59  
residue id #!1/G:401 name ASN index 60  
residue id #!1/G:402 name LEU index 61  
residue id #!1/G:403 name TRP index 62  
residue id #!1/G:409 name PRO index 68  
residue id #!1/G:410 name VAL index 69  
residue id #!1/G:411 name HIS index 70  
residue id #!1/G:412 name ASN index 71  
residue id #!1/G:413 name THR index 72  
residue id #!1/G:414 name MET index 73  
residue id #!1/G:415 name LEU index 74  
residue id #!1/G:416 name ASN index 75  
residue id #!1/G:417 name PRO index 76  
residue id #!1/G:418 name HIS index 77  
residue id #!1/G:419 name ILE index 78  
residue id #!1/G:420 name HIS index 79  
residue id #!1/G:421 name LEU index 80  
residue id #!1/G:422 name MET index 81  
residue id #!1/G:423 name GLY index 82  
residue id #!1/G:424 name ASP index 83  
residue id #!1/G:425 name GLU index 84  
residue id #!1/G:426 name SER index 85  
residue id #!1/G:427 name ALA index 86  
residue id #!1/G:428 name CYS index 87  
residue id #!1/G:429 name ILE index 88  
residue id #!1/G:430 name ALA index 89  
residue id #!1/G:431 name TYR index 90  
residue id #!1/G:432 name ILE index 91  
residue id #!1/G:433 name ARG index 92  
residue id #!1/G:434 name ILE index 93  
residue id #!1/G:435 name THR index 94  
residue id #!1/G:436 name GLN index 95  
residue id #!1/G:437 name TYR index 96  
residue id #!1/G:438 name LEU index 97  
residue id #!1/G:439 name ASP index 98  
residue id #!1/G:440 name ALA index 99  
residue id #!1/G:441 name GLY index 100  
residue id #!1/G:442 name GLY index 101  
residue id #!1/G:443 name ILE index 102  
residue id #!1/G:444 name PRO index 103  
residue id #!1/G:445 name ARG index 104  
residue id #!1/G:446 name THR index 105  
residue id #!1/G:447 name ALA index 106  
residue id #!1/G:448 name GLN index 107  
residue id #!1/G:449 name SER index 108  
residue id #!1/G:450 name GLU index 109  
residue id #!1/G:451 name GLU index 110  
residue id #!1/G:452 name THR index 111  
residue id #!1/G:453 name ARG index 112  
residue id #!1/G:454 name VAL index 113  
residue id #!1/G:455 name TRP index 114  
residue id #!1/G:456 name HIS index 115  
residue id #!1/G:457 name ARG index 116  
residue id #!1/G:458 name ARG index 117  
residue id #!1/G:459 name ASP index 118  
residue id #!1/G:460 name GLY index 119  
residue id #!1/G:461 name LYS index 120  
residue id #!1/G:462 name TRP index 121  
residue id #!1/G:463 name GLN index 122  
residue id #!1/G:464 name HIS index 123  
residue id #!1/G:465 name VAL index 124  
residue id #!1/G:466 name HIS index 125  
residue id #!1/G:467 name MET index 126  
residue id #!1/G:468 name HIS index 127  
residue id #!1/G:469 name ARG index 128  
residue id #!1/G:470 name SER index 129  
residue id #!1/G:471 name GLY index 130  
residue id #!1/G:472 name ALA index 131  
residue id #!1/E:346 name ARG index 5  
residue id #!1/E:347 name LYS index 6  
residue id #!1/E:348 name GLN index 7  
residue id #!1/E:349 name GLU index 8  
residue id #!1/E:350 name ILE index 9  
residue id #!1/E:351 name ILE index 10  
residue id #!1/E:352 name LYS index 11  
residue id #!1/E:353 name VAL index 12  
residue id #!1/E:354 name ASN index 13  
residue id #!1/E:355 name GLN index 14  
residue id #!1/E:356 name GLN index 15  
residue id #!1/E:357 name LEU index 16  
residue id #!1/E:358 name ILE index 17  
residue id #!1/E:359 name GLU index 18  
residue id #!1/E:360 name ALA index 19  
residue id #!1/E:361 name ILE index 20  
residue id #!1/E:362 name SER index 21  
residue id #!1/E:363 name ASN index 22  
residue id #!1/E:364 name GLY index 23  
residue id #!1/E:365 name ASP index 24  
residue id #!1/E:366 name PHE index 25  
residue id #!1/E:367 name GLU index 26  
residue id #!1/E:368 name SER index 27  
residue id #!1/E:369 name TYR index 28  
residue id #!1/E:370 name THR index 29  
residue id #!1/E:371 name LYS index 30  
residue id #!1/E:372 name MET index 31  
residue id #!1/E:373 name CYS index 32  
residue id #!1/E:374 name ASP index 33  
residue id #!1/E:375 name PRO index 34  
residue id #!1/E:376 name GLY index 35  
residue id #!1/E:377 name MET index 36  
residue id #!1/E:378 name THR index 37  
residue id #!1/E:379 name ALA index 38  
residue id #!1/E:380 name PHE index 39  
residue id #!1/E:381 name GLU index 40  
residue id #!1/E:382 name PRO index 41  
residue id #!1/E:383 name GLU index 42  
residue id #!1/E:384 name ALA index 43  
residue id #!1/E:385 name LEU index 44  
residue id #!1/E:386 name GLY index 45  
residue id #!1/E:387 name ASN index 46  
residue id #!1/E:388 name LEU index 47  
residue id #!1/E:389 name VAL index 48  
residue id #!1/E:390 name GLU index 49  
residue id #!1/E:391 name GLY index 50  
residue id #!1/E:392 name LEU index 51  
residue id #!1/E:393 name ASP index 52  
residue id #!1/E:394 name PHE index 53  
residue id #!1/E:395 name HIS index 54  
residue id #!1/E:396 name ARG index 55  
residue id #!1/E:397 name PHE index 56  
residue id #!1/E:398 name TYR index 57  
residue id #!1/E:399 name PHE index 58  
residue id #!1/E:400 name GLU index 59  
residue id #!1/E:401 name ASN index 60  
residue id #!1/E:402 name LEU index 61  
residue id #!1/E:403 name TRP index 62  
residue id #!1/E:404 name SER index 63  
residue id #!1/E:405 name ARG index 64  
residue id #!1/E:406 name ASN index 65  
residue id #!1/E:407 name SER index 66  
residue id #!1/E:408 name LYS index 67  
residue id #!1/E:409 name PRO index 68  
residue id #!1/E:410 name VAL index 69  
residue id #!1/E:411 name HIS index 70  
residue id #!1/E:412 name ASN index 71  
residue id #!1/E:413 name THR index 72  
residue id #!1/E:414 name MET index 73  
residue id #!1/E:415 name LEU index 74  
residue id #!1/E:416 name ASN index 75  
residue id #!1/E:417 name PRO index 76  
residue id #!1/E:418 name HIS index 77  
residue id #!1/E:419 name ILE index 78  
residue id #!1/E:420 name HIS index 79  
residue id #!1/E:421 name LEU index 80  
residue id #!1/E:422 name MET index 81  
residue id #!1/E:423 name GLY index 82  
residue id #!1/E:424 name ASP index 83  
residue id #!1/E:425 name GLU index 84  
residue id #!1/E:426 name SER index 85  
residue id #!1/E:427 name ALA index 86  
residue id #!1/E:428 name CYS index 87  
residue id #!1/E:429 name ILE index 88  
residue id #!1/E:430 name ALA index 89  
residue id #!1/E:431 name TYR index 90  
residue id #!1/E:432 name ILE index 91  
residue id #!1/E:433 name ARG index 92  
residue id #!1/E:434 name ILE index 93  
residue id #!1/E:435 name THR index 94  
residue id #!1/E:436 name GLN index 95  
residue id #!1/E:437 name TYR index 96  
residue id #!1/E:438 name LEU index 97  
residue id #!1/E:439 name ASP index 98  
residue id #!1/E:440 name ALA index 99  
residue id #!1/E:441 name GLY index 100  
residue id #!1/E:442 name GLY index 101  
residue id #!1/E:443 name ILE index 102  
residue id #!1/E:444 name PRO index 103  
residue id #!1/E:445 name ARG index 104  
residue id #!1/E:446 name THR index 105  
residue id #!1/E:447 name ALA index 106  
residue id #!1/E:448 name GLN index 107  
residue id #!1/E:449 name SER index 108  
residue id #!1/E:450 name GLU index 109  
residue id #!1/E:451 name GLU index 110  
residue id #!1/E:452 name THR index 111  
residue id #!1/E:453 name ARG index 112  
residue id #!1/E:454 name VAL index 113  
residue id #!1/E:455 name TRP index 114  
residue id #!1/E:456 name HIS index 115  
residue id #!1/E:457 name ARG index 116  
residue id #!1/E:458 name ARG index 117  
residue id #!1/E:459 name ASP index 118  
residue id #!1/E:460 name GLY index 119  
residue id #!1/E:461 name LYS index 120  
residue id #!1/E:462 name TRP index 121  
residue id #!1/E:463 name GLN index 122  
residue id #!1/E:464 name HIS index 123  
residue id #!1/E:465 name VAL index 124  
residue id #!1/E:466 name HIS index 125  
residue id #!1/E:467 name MET index 126  
residue id #!1/E:468 name HIS index 127  
residue id #!1/E:469 name ARG index 128  
residue id #!1/E:470 name SER index 129  
residue id #!1/E:471 name GLY index 130  
residue id #!1/E:472 name ALA index 131  
residue id #!1/E:473 name PRO index 132  
residue id #!1/E:474 name SER index 133  
residue id #!1/E:475 name VAL index 134  
residue id #!1/A:342 name PRO index 1  
residue id #!1/A:343 name HIS index 2  
residue id #!1/A:344 name MET index 3  
residue id #!1/A:345 name VAL index 4  
residue id #!1/A:346 name ARG index 5  
residue id #!1/A:347 name LYS index 6  
residue id #!1/A:348 name GLN index 7  
residue id #!1/A:349 name GLU index 8  
residue id #!1/A:350 name ILE index 9  
residue id #!1/A:351 name ILE index 10  
residue id #!1/A:352 name LYS index 11  
residue id #!1/A:353 name VAL index 12  
residue id #!1/A:354 name ASN index 13  
residue id #!1/A:355 name GLN index 14  
residue id #!1/A:356 name GLN index 15  
residue id #!1/A:357 name LEU index 16  
residue id #!1/A:358 name ILE index 17  
residue id #!1/A:359 name GLU index 18  
residue id #!1/A:360 name ALA index 19  
residue id #!1/A:361 name ILE index 20  
residue id #!1/A:362 name SER index 21  
residue id #!1/A:363 name ASN index 22  
residue id #!1/A:364 name GLY index 23  
residue id #!1/A:365 name ASP index 24  
residue id #!1/A:366 name PHE index 25  
residue id #!1/A:367 name GLU index 26  
residue id #!1/A:368 name SER index 27  
residue id #!1/A:369 name TYR index 28  
residue id #!1/A:370 name THR index 29  
residue id #!1/A:371 name LYS index 30  
residue id #!1/A:372 name MET index 31  
residue id #!1/A:373 name CYS index 32  
residue id #!1/A:374 name ASP index 33  
residue id #!1/A:375 name PRO index 34  
residue id #!1/A:376 name GLY index 35  
residue id #!1/A:377 name MET index 36  
residue id #!1/A:378 name THR index 37  
residue id #!1/A:379 name ALA index 38  
residue id #!1/A:380 name PHE index 39  
residue id #!1/A:381 name GLU index 40  
residue id #!1/A:382 name PRO index 41  
residue id #!1/A:383 name GLU index 42  
residue id #!1/A:384 name ALA index 43  
residue id #!1/A:385 name LEU index 44  
residue id #!1/A:386 name GLY index 45  
residue id #!1/A:387 name ASN index 46  
residue id #!1/A:388 name LEU index 47  
residue id #!1/A:389 name VAL index 48  
residue id #!1/A:390 name GLU index 49  
residue id #!1/A:391 name GLY index 50  
residue id #!1/A:392 name LEU index 51  
residue id #!1/A:393 name ASP index 52  
residue id #!1/A:394 name PHE index 53  
residue id #!1/A:395 name HIS index 54  
residue id #!1/A:396 name ARG index 55  
residue id #!1/A:397 name PHE index 56  
residue id #!1/A:398 name TYR index 57  
residue id #!1/A:399 name PHE index 58  
residue id #!1/A:400 name GLU index 59  
residue id #!1/A:401 name ASN index 60  
residue id #!1/A:402 name LEU index 61  
residue id #!1/A:403 name TRP index 62  
residue id #!1/A:404 name SER index 63  
residue id #!1/A:405 name ARG index 64  
residue id #!1/A:406 name ASN index 65  
residue id #!1/A:407 name SER index 66  
residue id #!1/A:408 name LYS index 67  
residue id #!1/A:409 name PRO index 68  
residue id #!1/A:410 name VAL index 69  
residue id #!1/A:411 name HIS index 70  
residue id #!1/A:412 name ASN index 71  
residue id #!1/A:413 name THR index 72  
residue id #!1/A:414 name MET index 73  
residue id #!1/A:415 name LEU index 74  
residue id #!1/A:416 name ASN index 75  
residue id #!1/A:417 name PRO index 76  
residue id #!1/A:418 name HIS index 77  
residue id #!1/A:419 name ILE index 78  
residue id #!1/A:420 name HIS index 79  
residue id #!1/A:421 name LEU index 80  
residue id #!1/A:422 name MET index 81  
residue id #!1/A:423 name GLY index 82  
residue id #!1/A:424 name ASP index 83  
residue id #!1/A:425 name GLU index 84  
residue id #!1/A:426 name SER index 85  
residue id #!1/A:427 name ALA index 86  
residue id #!1/A:428 name CYS index 87  
residue id #!1/A:429 name ILE index 88  
residue id #!1/A:430 name ALA index 89  
residue id #!1/A:431 name TYR index 90  
residue id #!1/A:432 name ILE index 91  
residue id #!1/A:433 name ARG index 92  
residue id #!1/A:434 name ILE index 93  
residue id #!1/A:435 name THR index 94  
residue id #!1/A:436 name GLN index 95  
residue id #!1/A:437 name TYR index 96  
residue id #!1/A:438 name LEU index 97  
residue id #!1/A:439 name ASP index 98  
residue id #!1/A:440 name ALA index 99  
residue id #!1/A:441 name GLY index 100  
residue id #!1/A:442 name GLY index 101  
residue id #!1/A:443 name ILE index 102  
residue id #!1/A:444 name PRO index 103  
residue id #!1/A:445 name ARG index 104  
residue id #!1/A:446 name THR index 105  
residue id #!1/A:447 name ALA index 106  
residue id #!1/A:448 name GLN index 107  
residue id #!1/A:449 name SER index 108  
residue id #!1/A:450 name GLU index 109  
residue id #!1/A:451 name GLU index 110  
residue id #!1/A:452 name THR index 111  
residue id #!1/A:453 name ARG index 112  
residue id #!1/A:454 name VAL index 113  
residue id #!1/A:455 name TRP index 114  
residue id #!1/A:456 name HIS index 115  
residue id #!1/A:457 name ARG index 116  
residue id #!1/A:458 name ARG index 117  
residue id #!1/A:459 name ASP index 118  
residue id #!1/A:460 name GLY index 119  
residue id #!1/A:461 name LYS index 120  
residue id #!1/A:462 name TRP index 121  
residue id #!1/A:463 name GLN index 122  
residue id #!1/A:464 name HIS index 123  
residue id #!1/A:465 name VAL index 124  
residue id #!1/A:466 name HIS index 125  
residue id #!1/A:467 name MET index 126  
residue id #!1/A:468 name HIS index 127  
residue id #!1/A:469 name ARG index 128  
residue id #!1/A:470 name SER index 129  
residue id #!1/A:471 name GLY index 130  
residue id #!1/A:472 name ALA index 131  
residue id #!1/D:343 name HIS index 2  
residue id #!1/D:344 name MET index 3  
residue id #!1/D:345 name VAL index 4  
residue id #!1/D:346 name ARG index 5  
residue id #!1/D:347 name LYS index 6  
residue id #!1/D:348 name GLN index 7  
residue id #!1/D:349 name GLU index 8  
residue id #!1/D:350 name ILE index 9  
residue id #!1/D:351 name ILE index 10  
residue id #!1/D:352 name LYS index 11  
residue id #!1/D:353 name VAL index 12  
residue id #!1/D:354 name ASN index 13  
residue id #!1/D:355 name GLN index 14  
residue id #!1/D:356 name GLN index 15  
residue id #!1/D:357 name LEU index 16  
residue id #!1/D:358 name ILE index 17  
residue id #!1/D:359 name GLU index 18  
residue id #!1/D:360 name ALA index 19  
residue id #!1/D:361 name ILE index 20  
residue id #!1/D:362 name SER index 21  
residue id #!1/D:363 name ASN index 22  
residue id #!1/D:364 name GLY index 23  
residue id #!1/D:365 name ASP index 24  
residue id #!1/D:366 name PHE index 25  
residue id #!1/D:367 name GLU index 26  
residue id #!1/D:368 name SER index 27  
residue id #!1/D:369 name TYR index 28  
residue id #!1/D:370 name THR index 29  
residue id #!1/D:371 name LYS index 30  
residue id #!1/D:372 name MET index 31  
residue id #!1/D:373 name CYS index 32  
residue id #!1/D:374 name ASP index 33  
residue id #!1/D:375 name PRO index 34  
residue id #!1/D:376 name GLY index 35  
residue id #!1/D:377 name MET index 36  
residue id #!1/D:378 name THR index 37  
residue id #!1/D:379 name ALA index 38  
residue id #!1/D:380 name PHE index 39  
residue id #!1/D:381 name GLU index 40  
residue id #!1/D:382 name PRO index 41  
residue id #!1/D:383 name GLU index 42  
residue id #!1/D:384 name ALA index 43  
residue id #!1/D:385 name LEU index 44  
residue id #!1/D:386 name GLY index 45  
residue id #!1/D:387 name ASN index 46  
residue id #!1/D:388 name LEU index 47  
residue id #!1/D:389 name VAL index 48  
residue id #!1/D:390 name GLU index 49  
residue id #!1/D:391 name GLY index 50  
residue id #!1/D:392 name LEU index 51  
residue id #!1/D:393 name ASP index 52  
residue id #!1/D:394 name PHE index 53  
residue id #!1/D:395 name HIS index 54  
residue id #!1/D:396 name ARG index 55  
residue id #!1/D:397 name PHE index 56  
residue id #!1/D:398 name TYR index 57  
residue id #!1/D:399 name PHE index 58  
residue id #!1/D:400 name GLU index 59  
residue id #!1/D:401 name ASN index 60  
residue id #!1/D:402 name LEU index 61  
residue id #!1/D:403 name TRP index 62  
residue id #!1/D:404 name SER index 63  
residue id #!1/D:407 name SER index 66  
residue id #!1/D:408 name LYS index 67  
residue id #!1/D:409 name PRO index 68  
residue id #!1/D:410 name VAL index 69  
residue id #!1/D:411 name HIS index 70  
residue id #!1/D:412 name ASN index 71  
residue id #!1/D:413 name THR index 72  
residue id #!1/D:414 name MET index 73  
residue id #!1/D:415 name LEU index 74  
residue id #!1/D:416 name ASN index 75  
residue id #!1/D:417 name PRO index 76  
residue id #!1/D:418 name HIS index 77  
residue id #!1/D:419 name ILE index 78  
residue id #!1/D:420 name HIS index 79  
residue id #!1/D:421 name LEU index 80  
residue id #!1/D:422 name MET index 81  
residue id #!1/D:423 name GLY index 82  
residue id #!1/D:424 name ASP index 83  
residue id #!1/D:425 name GLU index 84  
residue id #!1/D:426 name SER index 85  
residue id #!1/D:427 name ALA index 86  
residue id #!1/D:428 name CYS index 87  
residue id #!1/D:429 name ILE index 88  
residue id #!1/D:430 name ALA index 89  
residue id #!1/D:431 name TYR index 90  
residue id #!1/D:432 name ILE index 91  
residue id #!1/D:433 name ARG index 92  
residue id #!1/D:434 name ILE index 93  
residue id #!1/D:435 name THR index 94  
residue id #!1/D:436 name GLN index 95  
residue id #!1/D:437 name TYR index 96  
residue id #!1/D:438 name LEU index 97  
residue id #!1/D:439 name ASP index 98  
residue id #!1/D:440 name ALA index 99  
residue id #!1/D:441 name GLY index 100  
residue id #!1/D:442 name GLY index 101  
residue id #!1/D:443 name ILE index 102  
residue id #!1/D:444 name PRO index 103  
residue id #!1/D:445 name ARG index 104  
residue id #!1/D:446 name THR index 105  
residue id #!1/D:447 name ALA index 106  
residue id #!1/D:448 name GLN index 107  
residue id #!1/D:449 name SER index 108  
residue id #!1/D:450 name GLU index 109  
residue id #!1/D:451 name GLU index 110  
residue id #!1/D:452 name THR index 111  
residue id #!1/D:453 name ARG index 112  
residue id #!1/D:454 name VAL index 113  
residue id #!1/D:455 name TRP index 114  
residue id #!1/D:456 name HIS index 115  
residue id #!1/D:457 name ARG index 116  
residue id #!1/D:458 name ARG index 117  
residue id #!1/D:459 name ASP index 118  
residue id #!1/D:460 name GLY index 119  
residue id #!1/D:461 name LYS index 120  
residue id #!1/D:462 name TRP index 121  
residue id #!1/D:463 name GLN index 122  
residue id #!1/D:464 name HIS index 123  
residue id #!1/D:465 name VAL index 124  
residue id #!1/D:466 name HIS index 125  
residue id #!1/D:467 name MET index 126  
residue id #!1/D:468 name HIS index 127  
residue id #!1/D:469 name ARG index 128  
residue id #!1/D:470 name SER index 129  
residue id #!1/D:471 name GLY index 130  
residue id #!1/D:472 name ALA index 131  
residue id #!1/D:473 name PRO index 132  
residue id #!1/D:474 name SER index 133  
residue id #!1/F:501 name K  
residue id #!1/F:502 name K  
residue id #!1/C:501 name GOL  
residue id #!1/E:501 name GOL  
residue id #!1/E:502 name K  
residue id #!1/A:501 name GOL  
residue id #!1/A:502 name K  
residue id #!1/D:501 name K  
residue id #!1/F:601 name HOH  
residue id #!1/F:602 name HOH  
residue id #!1/F:603 name HOH  
residue id #!1/F:604 name HOH  
residue id #!1/F:605 name HOH  
residue id #!1/F:606 name HOH  
residue id #!1/F:607 name HOH  
residue id #!1/F:608 name HOH  
residue id #!1/F:609 name HOH  
residue id #!1/F:610 name HOH  
residue id #!1/F:611 name HOH  
residue id #!1/F:612 name HOH  
residue id #!1/F:613 name HOH  
residue id #!1/F:614 name HOH  
residue id #!1/F:615 name HOH  
residue id #!1/F:616 name HOH  
residue id #!1/F:617 name HOH  
residue id #!1/F:618 name HOH  
residue id #!1/F:619 name HOH  
residue id #!1/F:620 name HOH  
residue id #!1/B:501 name HOH  
residue id #!1/B:502 name HOH  
residue id #!1/B:503 name HOH  
residue id #!1/B:504 name HOH  
residue id #!1/B:505 name HOH  
residue id #!1/B:506 name HOH  
residue id #!1/B:507 name HOH  
residue id #!1/B:508 name HOH  
residue id #!1/B:509 name HOH  
residue id #!1/B:510 name HOH  
residue id #!1/B:511 name HOH  
residue id #!1/B:512 name HOH  
residue id #!1/B:513 name HOH  
residue id #!1/B:514 name HOH  
residue id #!1/B:515 name HOH  
residue id #!1/B:516 name HOH  
residue id #!1/B:517 name HOH  
residue id #!1/B:518 name HOH  
residue id #!1/B:519 name HOH  
residue id #!1/B:520 name HOH  
residue id #!1/B:521 name HOH  
residue id #!1/B:522 name HOH  
residue id #!1/C:601 name HOH  
residue id #!1/C:602 name HOH  
residue id #!1/C:603 name HOH  
residue id #!1/C:604 name HOH  
residue id #!1/C:605 name HOH  
residue id #!1/C:606 name HOH  
residue id #!1/C:607 name HOH  
residue id #!1/C:608 name HOH  
residue id #!1/C:609 name HOH  
residue id #!1/C:610 name HOH  
residue id #!1/G:501 name HOH  
residue id #!1/G:502 name HOH  
residue id #!1/G:503 name HOH  
residue id #!1/G:504 name HOH  
residue id #!1/G:505 name HOH  
residue id #!1/G:506 name HOH  
residue id #!1/G:507 name HOH  
residue id #!1/G:508 name HOH  
residue id #!1/G:509 name HOH  
residue id #!1/G:510 name HOH  
residue id #!1/E:601 name HOH  
residue id #!1/E:602 name HOH  
residue id #!1/E:603 name HOH  
residue id #!1/E:604 name HOH  
residue id #!1/E:605 name HOH  
residue id #!1/E:606 name HOH  
residue id #!1/E:607 name HOH  
residue id #!1/E:608 name HOH  
residue id #!1/E:609 name HOH  
residue id #!1/E:610 name HOH  
residue id #!1/E:611 name HOH  
residue id #!1/E:612 name HOH  
residue id #!1/E:613 name HOH  
residue id #!1/E:614 name HOH  
residue id #!1/E:615 name HOH  
residue id #!1/E:616 name HOH  
residue id #!1/E:617 name HOH  
residue id #!1/E:618 name HOH  
residue id #!1/E:619 name HOH  
residue id #!1/A:601 name HOH  
residue id #!1/A:602 name HOH  
residue id #!1/A:603 name HOH  
residue id #!1/A:604 name HOH  
residue id #!1/A:605 name HOH  
residue id #!1/A:606 name HOH  
residue id #!1/A:607 name HOH  
residue id #!1/A:608 name HOH  
residue id #!1/A:609 name HOH  
residue id #!1/A:610 name HOH  
residue id #!1/A:611 name HOH  
residue id #!1/A:612 name HOH  
residue id #!1/D:601 name HOH  
residue id #!1/D:602 name HOH  
residue id #!1/D:603 name HOH  
residue id #!1/D:604 name HOH  
residue id #!1/D:605 name HOH  
residue id #!1/D:606 name HOH  
residue id #!1/D:607 name HOH  
residue id #!1/D:608 name HOH  
residue id #!1/D:609 name HOH  
residue id #!1/D:610 name HOH  
residue id #!1/D:611 name HOH  
residue id #!1/D:612 name HOH  
residue id #1.3.1/A:1 name PHE  
residue id #1.3.2/A:1 name PHE  
residue id #1.3.3/A:1 name PHE  
residue id #1.3.4/A:1 name PHE  
residue id #1.3.5/A:1 name PHE  
residue id #1.3.6/A:1 name PHE  

> ui tool show Rotamers

> swapaa interactive sel TRP rotLib Dunbrack

6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans  
Changed 468 bond radii  

> hbonds #!1 & ~#!1/A:403 & ~solvent reveal true restrict #1.4 & ~@c,ca,n

0 hydrogen bonds found  

> swapaa #!1/A:403 TRP criteria 16 rotLib Dunbrack retain false

Using Dunbrack library  
6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans  
Applying TRP rotamer (chi angles: -66.7 -112.6) to 6OF8 (1).pdb #!1/A TRP 403  

> swapaa interactive sel PHE rotLib Dunbrack

6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans  
Changed 162 bond radii  

> swapaa #!1/A:403 PHE criteria 1 rotLib Dunbrack

Using Dunbrack library  
6OF8 (1).pdb #!1/A TRP 403: phi -113.7, psi 110.8 trans  
Applying PHE rotamer (chi angles: -65.5 88.9) to 6OF8 (1).pdb #!1/A PHE 403  

> swapaa interactive sel PHE rotLib Dunbrack

6OF8 (1).pdb #!1/A PHE 403: phi -113.7, psi 110.8 trans  
Changed 162 bond radii  

> swapaa interactive sel PHE rotLib Dunbrack

6OF8 (1).pdb #!1/A PHE 403: phi -113.7, psi 110.8 trans  
Changed 162 bond radii  

> info residues

residue id #!1/F:346 name ARG index 5  
residue id #!1/F:347 name LYS index 6  
residue id #!1/F:348 name GLN index 7  
residue id #!1/F:349 name GLU index 8  
residue id #!1/F:350 name ILE index 9  
residue id #!1/F:351 name ILE index 10  
residue id #!1/F:352 name LYS index 11  
residue id #!1/F:353 name VAL index 12  
residue id #!1/F:354 name ASN index 13  
residue id #!1/F:355 name GLN index 14  
residue id #!1/F:356 name GLN index 15  
residue id #!1/F:357 name LEU index 16  
residue id #!1/F:358 name ILE index 17  
residue id #!1/F:359 name GLU index 18  
residue id #!1/F:360 name ALA index 19  
residue id #!1/F:361 name ILE index 20  
residue id #!1/F:362 name SER index 21  
residue id #!1/F:363 name ASN index 22  
residue id #!1/F:364 name GLY index 23  
residue id #!1/F:365 name ASP index 24  
residue id #!1/F:366 name PHE index 25  
residue id #!1/F:367 name GLU index 26  
residue id #!1/F:368 name SER index 27  
residue id #!1/F:369 name TYR index 28  
residue id #!1/F:370 name THR index 29  
residue id #!1/F:371 name LYS index 30  
residue id #!1/F:372 name MET index 31  
residue id #!1/F:373 name CYS index 32  
residue id #!1/F:374 name ASP index 33  
residue id #!1/F:375 name PRO index 34  
residue id #!1/F:376 name GLY index 35  
residue id #!1/F:377 name MET index 36  
residue id #!1/F:378 name THR index 37  
residue id #!1/F:379 name ALA index 38  
residue id #!1/F:380 name PHE index 39  
residue id #!1/F:381 name GLU index 40  
residue id #!1/F:382 name PRO index 41  
residue id #!1/F:383 name GLU index 42  
residue id #!1/F:384 name ALA index 43  
residue id #!1/F:385 name LEU index 44  
residue id #!1/F:386 name GLY index 45  
residue id #!1/F:387 name ASN index 46  
residue id #!1/F:388 name LEU index 47  
residue id #!1/F:389 name VAL index 48  
residue id #!1/F:390 name GLU index 49  
residue id #!1/F:391 name GLY index 50  
residue id #!1/F:392 name LEU index 51  
residue id #!1/F:393 name ASP index 52  
residue id #!1/F:394 name PHE index 53  
residue id #!1/F:395 name HIS index 54  
residue id #!1/F:396 name ARG index 55  
residue id #!1/F:397 name PHE index 56  
residue id #!1/F:398 name TYR index 57  
residue id #!1/F:399 name PHE index 58  
residue id #!1/F:400 name GLU index 59  
residue id #!1/F:401 name ASN index 60  
residue id #!1/F:402 name LEU index 61  
residue id #!1/F:403 name TRP index 62  
residue id #!1/F:404 name SER index 63  
residue id #!1/F:405 name ARG index 64  
residue id #!1/F:406 name ASN index 65  
residue id #!1/F:407 name SER index 66  
residue id #!1/F:408 name LYS index 67  
residue id #!1/F:409 name PRO index 68  
residue id #!1/F:410 name VAL index 69  
residue id #!1/F:411 name HIS index 70  
residue id #!1/F:412 name ASN index 71  
residue id #!1/F:413 name THR index 72  
residue id #!1/F:414 name MET index 73  
residue id #!1/F:415 name LEU index 74  
residue id #!1/F:416 name ASN index 75  
residue id #!1/F:417 name PRO index 76  
residue id #!1/F:418 name HIS index 77  
residue id #!1/F:419 name ILE index 78  
residue id #!1/F:420 name HIS index 79  
residue id #!1/F:421 name LEU index 80  
residue id #!1/F:422 name MET index 81  
residue id #!1/F:423 name GLY index 82  
residue id #!1/F:424 name ASP index 83  
residue id #!1/F:425 name GLU index 84  
residue id #!1/F:426 name SER index 85  
residue id #!1/F:427 name ALA index 86  
residue id #!1/F:428 name CYS index 87  
residue id #!1/F:429 name ILE index 88  
residue id #!1/F:430 name ALA index 89  
residue id #!1/F:431 name TYR index 90  
residue id #!1/F:432 name ILE index 91  
residue id #!1/F:433 name ARG index 92  
residue id #!1/F:434 name ILE index 93  
residue id #!1/F:435 name THR index 94  
residue id #!1/F:436 name GLN index 95  
residue id #!1/F:437 name TYR index 96  
residue id #!1/F:438 name LEU index 97  
residue id #!1/F:439 name ASP index 98  
residue id #!1/F:440 name ALA index 99  
residue id #!1/F:441 name GLY index 100  
residue id #!1/F:442 name GLY index 101  
residue id #!1/F:443 name ILE index 102  
residue id #!1/F:444 name PRO index 103  
residue id #!1/F:445 name ARG index 104  
residue id #!1/F:446 name THR index 105  
residue id #!1/F:447 name ALA index 106  
residue id #!1/F:448 name GLN index 107  
residue id #!1/F:449 name SER index 108  
residue id #!1/F:450 name GLU index 109  
residue id #!1/F:451 name GLU index 110  
residue id #!1/F:452 name THR index 111  
residue id #!1/F:453 name ARG index 112  
residue id #!1/F:454 name VAL index 113  
residue id #!1/F:455 name TRP index 114  
residue id #!1/F:456 name HIS index 115  
residue id #!1/F:457 name ARG index 116  
residue id #!1/F:458 name ARG index 117  
residue id #!1/F:459 name ASP index 118  
residue id #!1/F:460 name GLY index 119  
residue id #!1/F:461 name LYS index 120  
residue id #!1/F:462 name TRP index 121  
residue id #!1/F:463 name GLN index 122  
residue id #!1/F:464 name HIS index 123  
residue id #!1/F:465 name VAL index 124  
residue id #!1/F:466 name HIS index 125  
residue id #!1/F:467 name MET index 126  
residue id #!1/F:468 name HIS index 127  
residue id #!1/F:469 name ARG index 128  
residue id #!1/F:470 name SER index 129  
residue id #!1/F:471 name GLY index 130  
residue id #!1/F:472 name ALA index 131  
residue id #!1/F:473 name PRO index 132  
residue id #!1/B:343 name HIS index 2  
residue id #!1/B:344 name MET index 3  
residue id #!1/B:345 name VAL index 4  
residue id #!1/B:346 name ARG index 5  
residue id #!1/B:347 name LYS index 6  
residue id #!1/B:348 name GLN index 7  
residue id #!1/B:349 name GLU index 8  
residue id #!1/B:350 name ILE index 9  
residue id #!1/B:351 name ILE index 10  
residue id #!1/B:352 name LYS index 11  
residue id #!1/B:353 name VAL index 12  
residue id #!1/B:354 name ASN index 13  
residue id #!1/B:355 name GLN index 14  
residue id #!1/B:356 name GLN index 15  
residue id #!1/B:357 name LEU index 16  
residue id #!1/B:358 name ILE index 17  
residue id #!1/B:359 name GLU index 18  
residue id #!1/B:360 name ALA index 19  
residue id #!1/B:361 name ILE index 20  
residue id #!1/B:362 name SER index 21  
residue id #!1/B:363 name ASN index 22  
residue id #!1/B:364 name GLY index 23  
residue id #!1/B:365 name ASP index 24  
residue id #!1/B:366 name PHE index 25  
residue id #!1/B:367 name GLU index 26  
residue id #!1/B:368 name SER index 27  
residue id #!1/B:369 name TYR index 28  
residue id #!1/B:370 name THR index 29  
residue id #!1/B:371 name LYS index 30  
residue id #!1/B:372 name MET index 31  
residue id #!1/B:373 name CYS index 32  
residue id #!1/B:374 name ASP index 33  
residue id #!1/B:375 name PRO index 34  
residue id #!1/B:376 name GLY index 35  
residue id #!1/B:377 name MET index 36  
residue id #!1/B:378 name THR index 37  
residue id #!1/B:379 name ALA index 38  
residue id #!1/B:380 name PHE index 39  
residue id #!1/B:381 name GLU index 40  
residue id #!1/B:382 name PRO index 41  
residue id #!1/B:383 name GLU index 42  
residue id #!1/B:384 name ALA index 43  
residue id #!1/B:385 name LEU index 44  
residue id #!1/B:386 name GLY index 45  
residue id #!1/B:387 name ASN index 46  
residue id #!1/B:388 name LEU index 47  
residue id #!1/B:389 name VAL index 48  
residue id #!1/B:390 name GLU index 49  
residue id #!1/B:391 name GLY index 50  
residue id #!1/B:392 name LEU index 51  
residue id #!1/B:393 name ASP index 52  
residue id #!1/B:394 name PHE index 53  
residue id #!1/B:395 name HIS index 54  
residue id #!1/B:396 name ARG index 55  
residue id #!1/B:397 name PHE index 56  
residue id #!1/B:398 name TYR index 57  
residue id #!1/B:399 name PHE index 58  
residue id #!1/B:400 name GLU index 59  
residue id #!1/B:401 name ASN index 60  
residue id #!1/B:402 name LEU index 61  
residue id #!1/B:403 name TRP index 62  
residue id #!1/B:404 name SER index 63  
residue id #!1/B:405 name ARG index 64  
residue id #!1/B:406 name ASN index 65  
residue id #!1/B:407 name SER index 66  
residue id #!1/B:408 name LYS index 67  
residue id #!1/B:409 name PRO index 68  
residue id #!1/B:410 name VAL index 69  
residue id #!1/B:411 name HIS index 70  
residue id #!1/B:412 name ASN index 71  
residue id #!1/B:413 name THR index 72  
residue id #!1/B:414 name MET index 73  
residue id #!1/B:415 name LEU index 74  
residue id #!1/B:416 name ASN index 75  
residue id #!1/B:417 name PRO index 76  
residue id #!1/B:418 name HIS index 77  
residue id #!1/B:419 name ILE index 78  
residue id #!1/B:420 name HIS index 79  
residue id #!1/B:421 name LEU index 80  
residue id #!1/B:422 name MET index 81  
residue id #!1/B:423 name GLY index 82  
residue id #!1/B:424 name ASP index 83  
residue id #!1/B:425 name GLU index 84  
residue id #!1/B:426 name SER index 85  
residue id #!1/B:427 name ALA index 86  
residue id #!1/B:428 name CYS index 87  
residue id #!1/B:429 name ILE index 88  
residue id #!1/B:430 name ALA index 89  
residue id #!1/B:431 name TYR index 90  
residue id #!1/B:432 name ILE index 91  
residue id #!1/B:433 name ARG index 92  
residue id #!1/B:434 name ILE index 93  
residue id #!1/B:435 name THR index 94  
residue id #!1/B:436 name GLN index 95  
residue id #!1/B:437 name TYR index 96  
residue id #!1/B:438 name LEU index 97  
residue id #!1/B:439 name ASP index 98  
residue id #!1/B:440 name ALA index 99  
residue id #!1/B:441 name GLY index 100  
residue id #!1/B:442 name GLY index 101  
residue id #!1/B:443 name ILE index 102  
residue id #!1/B:444 name PRO index 103  
residue id #!1/B:445 name ARG index 104  
residue id #!1/B:446 name THR index 105  
residue id #!1/B:447 name ALA index 106  
residue id #!1/B:448 name GLN index 107  
residue id #!1/B:449 name SER index 108  
residue id #!1/B:450 name GLU index 109  
residue id #!1/B:451 name GLU index 110  
residue id #!1/B:452 name THR index 111  
residue id #!1/B:453 name ARG index 112  
residue id #!1/B:454 name VAL index 113  
residue id #!1/B:455 name TRP index 114  
residue id #!1/B:456 name HIS index 115  
residue id #!1/B:457 name ARG index 116  
residue id #!1/B:458 name ARG index 117  
residue id #!1/B:459 name ASP index 118  
residue id #!1/B:460 name GLY index 119  
residue id #!1/B:461 name LYS index 120  
residue id #!1/B:462 name TRP index 121  
residue id #!1/B:463 name GLN index 122  
residue id #!1/B:464 name HIS index 123  
residue id #!1/B:465 name VAL index 124  
residue id #!1/B:466 name HIS index 125  
residue id #!1/B:467 name MET index 126  
residue id #!1/B:468 name HIS index 127  
residue id #!1/B:469 name ARG index 128  
residue id #!1/B:470 name SER index 129  
residue id #!1/B:471 name GLY index 130  
residue id #!1/B:472 name ALA index 131  
residue id #!1/C:343 name HIS index 2  
residue id #!1/C:344 name MET index 3  
residue id #!1/C:345 name VAL index 4  
residue id #!1/C:346 name ARG index 5  
residue id #!1/C:347 name LYS index 6  
residue id #!1/C:348 name GLN index 7  
residue id #!1/C:349 name GLU index 8  
residue id #!1/C:350 name ILE index 9  
residue id #!1/C:351 name ILE index 10  
residue id #!1/C:352 name LYS index 11  
residue id #!1/C:353 name VAL index 12  
residue id #!1/C:354 name ASN index 13  
residue id #!1/C:355 name GLN index 14  
residue id #!1/C:356 name GLN index 15  
residue id #!1/C:357 name LEU index 16  
residue id #!1/C:358 name ILE index 17  
residue id #!1/C:359 name GLU index 18  
residue id #!1/C:360 name ALA index 19  
residue id #!1/C:361 name ILE index 20  
residue id #!1/C:362 name SER index 21  
residue id #!1/C:363 name ASN index 22  
residue id #!1/C:364 name GLY index 23  
residue id #!1/C:365 name ASP index 24  
residue id #!1/C:366 name PHE index 25  
residue id #!1/C:367 name GLU index 26  
residue id #!1/C:368 name SER index 27  
residue id #!1/C:369 name TYR index 28  
residue id #!1/C:370 name THR index 29  
residue id #!1/C:371 name LYS index 30  
residue id #!1/C:372 name MET index 31  
residue id #!1/C:373 name CYS index 32  
residue id #!1/C:374 name ASP index 33  
residue id #!1/C:375 name PRO index 34  
residue id #!1/C:376 name GLY index 35  
residue id #!1/C:377 name MET index 36  
residue id #!1/C:378 name THR index 37  
residue id #!1/C:379 name ALA index 38  
residue id #!1/C:380 name PHE index 39  
residue id #!1/C:381 name GLU index 40  
residue id #!1/C:382 name PRO index 41  
residue id #!1/C:383 name GLU index 42  
residue id #!1/C:384 name ALA index 43  
residue id #!1/C:385 name LEU index 44  
residue id #!1/C:386 name GLY index 45  
residue id #!1/C:387 name ASN index 46  
residue id #!1/C:388 name LEU index 47  
residue id #!1/C:389 name VAL index 48  
residue id #!1/C:390 name GLU index 49  
residue id #!1/C:391 name GLY index 50  
residue id #!1/C:392 name LEU index 51  
residue id #!1/C:393 name ASP index 52  
residue id #!1/C:394 name PHE index 53  
residue id #!1/C:395 name HIS index 54  
residue id #!1/C:396 name ARG index 55  
residue id #!1/C:397 name PHE index 56  
residue id #!1/C:398 name TYR index 57  
residue id #!1/C:399 name PHE index 58  
residue id #!1/C:400 name GLU index 59  
residue id #!1/C:401 name ASN index 60  
residue id #!1/C:402 name LEU index 61  
residue id #!1/C:403 name TRP index 62  
residue id #!1/C:404 name SER index 63  
residue id #!1/C:405 name ARG index 64  
residue id #!1/C:406 name ASN index 65  
residue id #!1/C:407 name SER index 66  
residue id #!1/C:408 name LYS index 67  
residue id #!1/C:409 name PRO index 68  
residue id #!1/C:410 name VAL index 69  
residue id #!1/C:411 name HIS index 70  
residue id #!1/C:412 name ASN index 71  
residue id #!1/C:413 name THR index 72  
residue id #!1/C:414 name MET index 73  
residue id #!1/C:415 name LEU index 74  
residue id #!1/C:416 name ASN index 75  
residue id #!1/C:417 name PRO index 76  
residue id #!1/C:418 name HIS index 77  
residue id #!1/C:419 name ILE index 78  
residue id #!1/C:420 name HIS index 79  
residue id #!1/C:421 name LEU index 80  
residue id #!1/C:422 name MET index 81  
residue id #!1/C:423 name GLY index 82  
residue id #!1/C:424 name ASP index 83  
residue id #!1/C:425 name GLU index 84  
residue id #!1/C:426 name SER index 85  
residue id #!1/C:427 name ALA index 86  
residue id #!1/C:428 name CYS index 87  
residue id #!1/C:429 name ILE index 88  
residue id #!1/C:430 name ALA index 89  
residue id #!1/C:431 name TYR index 90  
residue id #!1/C:432 name ILE index 91  
residue id #!1/C:433 name ARG index 92  
residue id #!1/C:434 name ILE index 93  
residue id #!1/C:435 name THR index 94  
residue id #!1/C:436 name GLN index 95  
residue id #!1/C:437 name TYR index 96  
residue id #!1/C:438 name LEU index 97  
residue id #!1/C:439 name ASP index 98  
residue id #!1/C:440 name ALA index 99  
residue id #!1/C:441 name GLY index 100  
residue id #!1/C:442 name GLY index 101  
residue id #!1/C:443 name ILE index 102  
residue id #!1/C:444 name PRO index 103  
residue id #!1/C:445 name ARG index 104  
residue id #!1/C:446 name THR index 105  
residue id #!1/C:447 name ALA index 106  
residue id #!1/C:448 name GLN index 107  
residue id #!1/C:449 name SER index 108  
residue id #!1/C:450 name GLU index 109  
residue id #!1/C:451 name GLU index 110  
residue id #!1/C:452 name THR index 111  
residue id #!1/C:453 name ARG index 112  
residue id #!1/C:454 name VAL index 113  
residue id #!1/C:455 name TRP index 114  
residue id #!1/C:456 name HIS index 115  
residue id #!1/C:457 name ARG index 116  
residue id #!1/C:458 name ARG index 117  
residue id #!1/C:459 name ASP index 118  
residue id #!1/C:460 name GLY index 119  
residue id #!1/C:461 name LYS index 120  
residue id #!1/C:462 name TRP index 121  
residue id #!1/C:463 name GLN index 122  
residue id #!1/C:464 name HIS index 123  
residue id #!1/C:465 name VAL index 124  
residue id #!1/C:466 name HIS index 125  
residue id #!1/C:467 name MET index 126  
residue id #!1/C:468 name HIS index 127  
residue id #!1/C:469 name ARG index 128  
residue id #!1/C:470 name SER index 129  
residue id #!1/C:471 name GLY index 130  
residue id #!1/C:472 name ALA index 131  
residue id #!1/G:343 name HIS index 2  
residue id #!1/G:344 name MET index 3  
residue id #!1/G:345 name VAL index 4  
residue id #!1/G:346 name ARG index 5  
residue id #!1/G:347 name LYS index 6  
residue id #!1/G:348 name GLN index 7  
residue id #!1/G:349 name GLU index 8  
residue id #!1/G:350 name ILE index 9  
residue id #!1/G:351 name ILE index 10  
residue id #!1/G:352 name LYS index 11  
residue id #!1/G:353 name VAL index 12  
residue id #!1/G:354 name ASN index 13  
residue id #!1/G:355 name GLN index 14  
residue id #!1/G:356 name GLN index 15  
residue id #!1/G:357 name LEU index 16  
residue id #!1/G:358 name ILE index 17  
residue id #!1/G:359 name GLU index 18  
residue id #!1/G:360 name ALA index 19  
residue id #!1/G:361 name ILE index 20  
residue id #!1/G:362 name SER index 21  
residue id #!1/G:363 name ASN index 22  
residue id #!1/G:364 name GLY index 23  
residue id #!1/G:365 name ASP index 24  
residue id #!1/G:366 name PHE index 25  
residue id #!1/G:367 name GLU index 26  
residue id #!1/G:368 name SER index 27  
residue id #!1/G:369 name TYR index 28  
residue id #!1/G:370 name THR index 29  
residue id #!1/G:371 name LYS index 30  
residue id #!1/G:372 name MET index 31  
residue id #!1/G:373 name CYS index 32  
residue id #!1/G:374 name ASP index 33  
residue id #!1/G:375 name PRO index 34  
residue id #!1/G:376 name GLY index 35  
residue id #!1/G:377 name MET index 36  
residue id #!1/G:378 name THR index 37  
residue id #!1/G:379 name ALA index 38  
residue id #!1/G:380 name PHE index 39  
residue id #!1/G:381 name GLU index 40  
residue id #!1/G:382 name PRO index 41  
residue id #!1/G:383 name GLU index 42  
residue id #!1/G:384 name ALA index 43  
residue id #!1/G:385 name LEU index 44  
residue id #!1/G:386 name GLY index 45  
residue id #!1/G:387 name ASN index 46  
residue id #!1/G:388 name LEU index 47  
residue id #!1/G:389 name VAL index 48  
residue id #!1/G:390 name GLU index 49  
residue id #!1/G:391 name GLY index 50  
residue id #!1/G:392 name LEU index 51  
residue id #!1/G:393 name ASP index 52  
residue id #!1/G:394 name PHE index 53  
residue id #!1/G:395 name HIS index 54  
residue id #!1/G:396 name ARG index 55  
residue id #!1/G:397 name PHE index 56  
residue id #!1/G:398 name TYR index 57  
residue id #!1/G:399 name PHE index 58  
residue id #!1/G:400 name GLU index 59  
residue id #!1/G:401 name ASN index 60  
residue id #!1/G:402 name LEU index 61  
residue id #!1/G:403 name TRP index 62  
residue id #!1/G:409 name PRO index 68  
residue id #!1/G:410 name VAL index 69  
residue id #!1/G:411 name HIS index 70  
residue id #!1/G:412 name ASN index 71  
residue id #!1/G:413 name THR index 72  
residue id #!1/G:414 name MET index 73  
residue id #!1/G:415 name LEU index 74  
residue id #!1/G:416 name ASN index 75  
residue id #!1/G:417 name PRO index 76  
residue id #!1/G:418 name HIS index 77  
residue id #!1/G:419 name ILE index 78  
residue id #!1/G:420 name HIS index 79  
residue id #!1/G:421 name LEU index 80  
residue id #!1/G:422 name MET index 81  
residue id #!1/G:423 name GLY index 82  
residue id #!1/G:424 name ASP index 83  
residue id #!1/G:425 name GLU index 84  
residue id #!1/G:426 name SER index 85  
residue id #!1/G:427 name ALA index 86  
residue id #!1/G:428 name CYS index 87  
residue id #!1/G:429 name ILE index 88  
residue id #!1/G:430 name ALA index 89  
residue id #!1/G:431 name TYR index 90  
residue id #!1/G:432 name ILE index 91  
residue id #!1/G:433 name ARG index 92  
residue id #!1/G:434 name ILE index 93  
residue id #!1/G:435 name THR index 94  
residue id #!1/G:436 name GLN index 95  
residue id #!1/G:437 name TYR index 96  
residue id #!1/G:438 name LEU index 97  
residue id #!1/G:439 name ASP index 98  
residue id #!1/G:440 name ALA index 99  
residue id #!1/G:441 name GLY index 100  
residue id #!1/G:442 name GLY index 101  
residue id #!1/G:443 name ILE index 102  
residue id #!1/G:444 name PRO index 103  
residue id #!1/G:445 name ARG index 104  
residue id #!1/G:446 name THR index 105  
residue id #!1/G:447 name ALA index 106  
residue id #!1/G:448 name GLN index 107  
residue id #!1/G:449 name SER index 108  
residue id #!1/G:450 name GLU index 109  
residue id #!1/G:451 name GLU index 110  
residue id #!1/G:452 name THR index 111  
residue id #!1/G:453 name ARG index 112  
residue id #!1/G:454 name VAL index 113  
residue id #!1/G:455 name TRP index 114  
residue id #!1/G:456 name HIS index 115  
residue id #!1/G:457 name ARG index 116  
residue id #!1/G:458 name ARG index 117  
residue id #!1/G:459 name ASP index 118  
residue id #!1/G:460 name GLY index 119  
residue id #!1/G:461 name LYS index 120  
residue id #!1/G:462 name TRP index 121  
residue id #!1/G:463 name GLN index 122  
residue id #!1/G:464 name HIS index 123  
residue id #!1/G:465 name VAL index 124  
residue id #!1/G:466 name HIS index 125  
residue id #!1/G:467 name MET index 126  
residue id #!1/G:468 name HIS index 127  
residue id #!1/G:469 name ARG index 128  
residue id #!1/G:470 name SER index 129  
residue id #!1/G:471 name GLY index 130  
residue id #!1/G:472 name ALA index 131  
residue id #!1/E:346 name ARG index 5  
residue id #!1/E:347 name LYS index 6  
residue id #!1/E:348 name GLN index 7  
residue id #!1/E:349 name GLU index 8  
residue id #!1/E:350 name ILE index 9  
residue id #!1/E:351 name ILE index 10  
residue id #!1/E:352 name LYS index 11  
residue id #!1/E:353 name VAL index 12  
residue id #!1/E:354 name ASN index 13  
residue id #!1/E:355 name GLN index 14  
residue id #!1/E:356 name GLN index 15  
residue id #!1/E:357 name LEU index 16  
residue id #!1/E:358 name ILE index 17  
residue id #!1/E:359 name GLU index 18  
residue id #!1/E:360 name ALA index 19  
residue id #!1/E:361 name ILE index 20  
residue id #!1/E:362 name SER index 21  
residue id #!1/E:363 name ASN index 22  
residue id #!1/E:364 name GLY index 23  
residue id #!1/E:365 name ASP index 24  
residue id #!1/E:366 name PHE index 25  
residue id #!1/E:367 name GLU index 26  
residue id #!1/E:368 name SER index 27  
residue id #!1/E:369 name TYR index 28  
residue id #!1/E:370 name THR index 29  
residue id #!1/E:371 name LYS index 30  
residue id #!1/E:372 name MET index 31  
residue id #!1/E:373 name CYS index 32  
residue id #!1/E:374 name ASP index 33  
residue id #!1/E:375 name PRO index 34  
residue id #!1/E:376 name GLY index 35  
residue id #!1/E:377 name MET index 36  
residue id #!1/E:378 name THR index 37  
residue id #!1/E:379 name ALA index 38  
residue id #!1/E:380 name PHE index 39  
residue id #!1/E:381 name GLU index 40  
residue id #!1/E:382 name PRO index 41  
residue id #!1/E:383 name GLU index 42  
residue id #!1/E:384 name ALA index 43  
residue id #!1/E:385 name LEU index 44  
residue id #!1/E:386 name GLY index 45  
residue id #!1/E:387 name ASN index 46  
residue id #!1/E:388 name LEU index 47  
residue id #!1/E:389 name VAL index 48  
residue id #!1/E:390 name GLU index 49  
residue id #!1/E:391 name GLY index 50  
residue id #!1/E:392 name LEU index 51  
residue id #!1/E:393 name ASP index 52  
residue id #!1/E:394 name PHE index 53  
residue id #!1/E:395 name HIS index 54  
residue id #!1/E:396 name ARG index 55  
residue id #!1/E:397 name PHE index 56  
residue id #!1/E:398 name TYR index 57  
residue id #!1/E:399 name PHE index 58  
residue id #!1/E:400 name GLU index 59  
residue id #!1/E:401 name ASN index 60  
residue id #!1/E:402 name LEU index 61  
residue id #!1/E:403 name TRP index 62  
residue id #!1/E:404 name SER index 63  
residue id #!1/E:405 name ARG index 64  
residue id #!1/E:406 name ASN index 65  
residue id #!1/E:407 name SER index 66  
residue id #!1/E:408 name LYS index 67  
residue id #!1/E:409 name PRO index 68  
residue id #!1/E:410 name VAL index 69  
residue id #!1/E:411 name HIS index 70  
residue id #!1/E:412 name ASN index 71  
residue id #!1/E:413 name THR index 72  
residue id #!1/E:414 name MET index 73  
residue id #!1/E:415 name LEU index 74  
residue id #!1/E:416 name ASN index 75  
residue id #!1/E:417 name PRO index 76  
residue id #!1/E:418 name HIS index 77  
residue id #!1/E:419 name ILE index 78  
residue id #!1/E:420 name HIS index 79  
residue id #!1/E:421 name LEU index 80  
residue id #!1/E:422 name MET index 81  
residue id #!1/E:423 name GLY index 82  
residue id #!1/E:424 name ASP index 83  
residue id #!1/E:425 name GLU index 84  
residue id #!1/E:426 name SER index 85  
residue id #!1/E:427 name ALA index 86  
residue id #!1/E:428 name CYS index 87  
residue id #!1/E:429 name ILE index 88  
residue id #!1/E:430 name ALA index 89  
residue id #!1/E:431 name TYR index 90  
residue id #!1/E:432 name ILE index 91  
residue id #!1/E:433 name ARG index 92  
residue id #!1/E:434 name ILE index 93  
residue id #!1/E:435 name THR index 94  
residue id #!1/E:436 name GLN index 95  
residue id #!1/E:437 name TYR index 96  
residue id #!1/E:438 name LEU index 97  
residue id #!1/E:439 name ASP index 98  
residue id #!1/E:440 name ALA index 99  
residue id #!1/E:441 name GLY index 100  
residue id #!1/E:442 name GLY index 101  
residue id #!1/E:443 name ILE index 102  
residue id #!1/E:444 name PRO index 103  
residue id #!1/E:445 name ARG index 104  
residue id #!1/E:446 name THR index 105  
residue id #!1/E:447 name ALA index 106  
residue id #!1/E:448 name GLN index 107  
residue id #!1/E:449 name SER index 108  
residue id #!1/E:450 name GLU index 109  
residue id #!1/E:451 name GLU index 110  
residue id #!1/E:452 name THR index 111  
residue id #!1/E:453 name ARG index 112  
residue id #!1/E:454 name VAL index 113  
residue id #!1/E:455 name TRP index 114  
residue id #!1/E:456 name HIS index 115  
residue id #!1/E:457 name ARG index 116  
residue id #!1/E:458 name ARG index 117  
residue id #!1/E:459 name ASP index 118  
residue id #!1/E:460 name GLY index 119  
residue id #!1/E:461 name LYS index 120  
residue id #!1/E:462 name TRP index 121  
residue id #!1/E:463 name GLN index 122  
residue id #!1/E:464 name HIS index 123  
residue id #!1/E:465 name VAL index 124  
residue id #!1/E:466 name HIS index 125  
residue id #!1/E:467 name MET index 126  
residue id #!1/E:468 name HIS index 127  
residue id #!1/E:469 name ARG index 128  
residue id #!1/E:470 name SER index 129  
residue id #!1/E:471 name GLY index 130  
residue id #!1/E:472 name ALA index 131  
residue id #!1/E:473 name PRO index 132  
residue id #!1/E:474 name SER index 133  
residue id #!1/E:475 name VAL index 134  
residue id #!1/A:342 name PRO index 1  
residue id #!1/A:343 name HIS index 2  
residue id #!1/A:344 name MET index 3  
residue id #!1/A:345 name VAL index 4  
residue id #!1/A:346 name ARG index 5  
residue id #!1/A:347 name LYS index 6  
residue id #!1/A:348 name GLN index 7  
residue id #!1/A:349 name GLU index 8  
residue id #!1/A:350 name ILE index 9  
residue id #!1/A:351 name ILE index 10  
residue id #!1/A:352 name LYS index 11  
residue id #!1/A:353 name VAL index 12  
residue id #!1/A:354 name ASN index 13  
residue id #!1/A:355 name GLN index 14  
residue id #!1/A:356 name GLN index 15  
residue id #!1/A:357 name LEU index 16  
residue id #!1/A:358 name ILE index 17  
residue id #!1/A:359 name GLU index 18  
residue id #!1/A:360 name ALA index 19  
residue id #!1/A:361 name ILE index 20  
residue id #!1/A:362 name SER index 21  
residue id #!1/A:363 name ASN index 22  
residue id #!1/A:364 name GLY index 23  
residue id #!1/A:365 name ASP index 24  
residue id #!1/A:366 name PHE index 25  
residue id #!1/A:367 name GLU index 26  
residue id #!1/A:368 name SER index 27  
residue id #!1/A:369 name TYR index 28  
residue id #!1/A:370 name THR index 29  
residue id #!1/A:371 name LYS index 30  
residue id #!1/A:372 name MET index 31  
residue id #!1/A:373 name CYS index 32  
residue id #!1/A:374 name ASP index 33  
residue id #!1/A:375 name PRO index 34  
residue id #!1/A:376 name GLY index 35  
residue id #!1/A:377 name MET index 36  
residue id #!1/A:378 name THR index 37  
residue id #!1/A:379 name ALA index 38  
residue id #!1/A:380 name PHE index 39  
residue id #!1/A:381 name GLU index 40  
residue id #!1/A:382 name PRO index 41  
residue id #!1/A:383 name GLU index 42  
residue id #!1/A:384 name ALA index 43  
residue id #!1/A:385 name LEU index 44  
residue id #!1/A:386 name GLY index 45  
residue id #!1/A:387 name ASN index 46  
residue id #!1/A:388 name LEU index 47  
residue id #!1/A:389 name VAL index 48  
residue id #!1/A:390 name GLU index 49  
residue id #!1/A:391 name GLY index 50  
residue id #!1/A:392 name LEU index 51  
residue id #!1/A:393 name ASP index 52  
residue id #!1/A:394 name PHE index 53  
residue id #!1/A:395 name HIS index 54  
residue id #!1/A:396 name ARG index 55  
residue id #!1/A:397 name PHE index 56  
residue id #!1/A:398 name TYR index 57  
residue id #!1/A:399 name PHE index 58  
residue id #!1/A:400 name GLU index 59  
residue id #!1/A:401 name ASN index 60  
residue id #!1/A:402 name LEU index 61  
residue id #!1/A:403 name PHE index 62  
residue id #!1/A:404 name SER index 63  
residue id #!1/A:405 name ARG index 64  
residue id #!1/A:406 name ASN index 65  
residue id #!1/A:407 name SER index 66  
residue id #!1/A:408 name LYS index 67  
residue id #!1/A:409 name PRO index 68  
residue id #!1/A:410 name VAL index 69  
residue id #!1/A:411 name HIS index 70  
residue id #!1/A:412 name ASN index 71  
residue id #!1/A:413 name THR index 72  
residue id #!1/A:414 name MET index 73  
residue id #!1/A:415 name LEU index 74  
residue id #!1/A:416 name ASN index 75  
residue id #!1/A:417 name PRO index 76  
residue id #!1/A:418 name HIS index 77  
residue id #!1/A:419 name ILE index 78  
residue id #!1/A:420 name HIS index 79  
residue id #!1/A:421 name LEU index 80  
residue id #!1/A:422 name MET index 81  
residue id #!1/A:423 name GLY index 82  
residue id #!1/A:424 name ASP index 83  
residue id #!1/A:425 name GLU index 84  
residue id #!1/A:426 name SER index 85  
residue id #!1/A:427 name ALA index 86  
residue id #!1/A:428 name CYS index 87  
residue id #!1/A:429 name ILE index 88  
residue id #!1/A:430 name ALA index 89  
residue id #!1/A:431 name TYR index 90  
residue id #!1/A:432 name ILE index 91  
residue id #!1/A:433 name ARG index 92  
residue id #!1/A:434 name ILE index 93  
residue id #!1/A:435 name THR index 94  
residue id #!1/A:436 name GLN index 95  
residue id #!1/A:437 name TYR index 96  
residue id #!1/A:438 name LEU index 97  
residue id #!1/A:439 name ASP index 98  
residue id #!1/A:440 name ALA index 99  
residue id #!1/A:441 name GLY index 100  
residue id #!1/A:442 name GLY index 101  
residue id #!1/A:443 name ILE index 102  
residue id #!1/A:444 name PRO index 103  
residue id #!1/A:445 name ARG index 104  
residue id #!1/A:446 name THR index 105  
residue id #!1/A:447 name ALA index 106  
residue id #!1/A:448 name GLN index 107  
residue id #!1/A:449 name SER index 108  
residue id #!1/A:450 name GLU index 109  
residue id #!1/A:451 name GLU index 110  
residue id #!1/A:452 name THR index 111  
residue id #!1/A:453 name ARG index 112  
residue id #!1/A:454 name VAL index 113  
residue id #!1/A:455 name TRP index 114  
residue id #!1/A:456 name HIS index 115  
residue id #!1/A:457 name ARG index 116  
residue id #!1/A:458 name ARG index 117  
residue id #!1/A:459 name ASP index 118  
residue id #!1/A:460 name GLY index 119  
residue id #!1/A:461 name LYS index 120  
residue id #!1/A:462 name TRP index 121  
residue id #!1/A:463 name GLN index 122  
residue id #!1/A:464 name HIS index 123  
residue id #!1/A:465 name VAL index 124  
residue id #!1/A:466 name HIS index 125  
residue id #!1/A:467 name MET index 126  
residue id #!1/A:468 name HIS index 127  
residue id #!1/A:469 name ARG index 128  
residue id #!1/A:470 name SER index 129  
residue id #!1/A:471 name GLY index 130  
residue id #!1/A:472 name ALA index 131  
residue id #!1/D:343 name HIS index 2  
residue id #!1/D:344 name MET index 3  
residue id #!1/D:345 name VAL index 4  
residue id #!1/D:346 name ARG index 5  
residue id #!1/D:347 name LYS index 6  
residue id #!1/D:348 name GLN index 7  
residue id #!1/D:349 name GLU index 8  
residue id #!1/D:350 name ILE index 9  
residue id #!1/D:351 name ILE index 10  
residue id #!1/D:352 name LYS index 11  
residue id #!1/D:353 name VAL index 12  
residue id #!1/D:354 name ASN index 13  
residue id #!1/D:355 name GLN index 14  
residue id #!1/D:356 name GLN index 15  
residue id #!1/D:357 name LEU index 16  
residue id #!1/D:358 name ILE index 17  
residue id #!1/D:359 name GLU index 18  
residue id #!1/D:360 name ALA index 19  
residue id #!1/D:361 name ILE index 20  
residue id #!1/D:362 name SER index 21  
residue id #!1/D:363 name ASN index 22  
residue id #!1/D:364 name GLY index 23  
residue id #!1/D:365 name ASP index 24  
residue id #!1/D:366 name PHE index 25  
residue id #!1/D:367 name GLU index 26  
residue id #!1/D:368 name SER index 27  
residue id #!1/D:369 name TYR index 28  
residue id #!1/D:370 name THR index 29  
residue id #!1/D:371 name LYS index 30  
residue id #!1/D:372 name MET index 31  
residue id #!1/D:373 name CYS index 32  
residue id #!1/D:374 name ASP index 33  
residue id #!1/D:375 name PRO index 34  
residue id #!1/D:376 name GLY index 35  
residue id #!1/D:377 name MET index 36  
residue id #!1/D:378 name THR index 37  
residue id #!1/D:379 name ALA index 38  
residue id #!1/D:380 name PHE index 39  
residue id #!1/D:381 name GLU index 40  
residue id #!1/D:382 name PRO index 41  
residue id #!1/D:383 name GLU index 42  
residue id #!1/D:384 name ALA index 43  
residue id #!1/D:385 name LEU index 44  
residue id #!1/D:386 name GLY index 45  
residue id #!1/D:387 name ASN index 46  
residue id #!1/D:388 name LEU index 47  
residue id #!1/D:389 name VAL index 48  
residue id #!1/D:390 name GLU index 49  
residue id #!1/D:391 name GLY index 50  
residue id #!1/D:392 name LEU index 51  
residue id #!1/D:393 name ASP index 52  
residue id #!1/D:394 name PHE index 53  
residue id #!1/D:395 name HIS index 54  
residue id #!1/D:396 name ARG index 55  
residue id #!1/D:397 name PHE index 56  
residue id #!1/D:398 name TYR index 57  
residue id #!1/D:399 name PHE index 58  
residue id #!1/D:400 name GLU index 59  
residue id #!1/D:401 name ASN index 60  
residue id #!1/D:402 name LEU index 61  
residue id #!1/D:403 name TRP index 62  
residue id #!1/D:404 name SER index 63  
residue id #!1/D:407 name SER index 66  
residue id #!1/D:408 name LYS index 67  
residue id #!1/D:409 name PRO index 68  
residue id #!1/D:410 name VAL index 69  
residue id #!1/D:411 name HIS index 70  
residue id #!1/D:412 name ASN index 71  
residue id #!1/D:413 name THR index 72  
residue id #!1/D:414 name MET index 73  
residue id #!1/D:415 name LEU index 74  
residue id #!1/D:416 name ASN index 75  
residue id #!1/D:417 name PRO index 76  
residue id #!1/D:418 name HIS index 77  
residue id #!1/D:419 name ILE index 78  
residue id #!1/D:420 name HIS index 79  
residue id #!1/D:421 name LEU index 80  
residue id #!1/D:422 name MET index 81  
residue id #!1/D:423 name GLY index 82  
residue id #!1/D:424 name ASP index 83  
residue id #!1/D:425 name GLU index 84  
residue id #!1/D:426 name SER index 85  
residue id #!1/D:427 name ALA index 86  
residue id #!1/D:428 name CYS index 87  
residue id #!1/D:429 name ILE index 88  
residue id #!1/D:430 name ALA index 89  
residue id #!1/D:431 name TYR index 90  
residue id #!1/D:432 name ILE index 91  
residue id #!1/D:433 name ARG index 92  
residue id #!1/D:434 name ILE index 93  
residue id #!1/D:435 name THR index 94  
residue id #!1/D:436 name GLN index 95  
residue id #!1/D:437 name TYR index 96  
residue id #!1/D:438 name LEU index 97  
residue id #!1/D:439 name ASP index 98  
residue id #!1/D:440 name ALA index 99  
residue id #!1/D:441 name GLY index 100  
residue id #!1/D:442 name GLY index 101  
residue id #!1/D:443 name ILE index 102  
residue id #!1/D:444 name PRO index 103  
residue id #!1/D:445 name ARG index 104  
residue id #!1/D:446 name THR index 105  
residue id #!1/D:447 name ALA index 106  
residue id #!1/D:448 name GLN index 107  
residue id #!1/D:449 name SER index 108  
residue id #!1/D:450 name GLU index 109  
residue id #!1/D:451 name GLU index 110  
residue id #!1/D:452 name THR index 111  
residue id #!1/D:453 name ARG index 112  
residue id #!1/D:454 name VAL index 113  
residue id #!1/D:455 name TRP index 114  
residue id #!1/D:456 name HIS index 115  
residue id #!1/D:457 name ARG index 116  
residue id #!1/D:458 name ARG index 117  
residue id #!1/D:459 name ASP index 118  
residue id #!1/D:460 name GLY index 119  
residue id #!1/D:461 name LYS index 120  
residue id #!1/D:462 name TRP index 121  
residue id #!1/D:463 name GLN index 122  
residue id #!1/D:464 name HIS index 123  
residue id #!1/D:465 name VAL index 124  
residue id #!1/D:466 name HIS index 125  
residue id #!1/D:467 name MET index 126  
residue id #!1/D:468 name HIS index 127  
residue id #!1/D:469 name ARG index 128  
residue id #!1/D:470 name SER index 129  
residue id #!1/D:471 name GLY index 130  
residue id #!1/D:472 name ALA index 131  
residue id #!1/D:473 name PRO index 132  
residue id #!1/D:474 name SER index 133  
residue id #!1/F:501 name K  
residue id #!1/F:502 name K  
residue id #!1/C:501 name GOL  
residue id #!1/E:501 name GOL  
residue id #!1/E:502 name K  
residue id #!1/A:501 name GOL  
residue id #!1/A:502 name K  
residue id #!1/D:501 name K  
residue id #!1/F:601 name HOH  
residue id #!1/F:602 name HOH  
residue id #!1/F:603 name HOH  
residue id #!1/F:604 name HOH  
residue id #!1/F:605 name HOH  
residue id #!1/F:606 name HOH  
residue id #!1/F:607 name HOH  
residue id #!1/F:608 name HOH  
residue id #!1/F:609 name HOH  
residue id #!1/F:610 name HOH  
residue id #!1/F:611 name HOH  
residue id #!1/F:612 name HOH  
residue id #!1/F:613 name HOH  
residue id #!1/F:614 name HOH  
residue id #!1/F:615 name HOH  
residue id #!1/F:616 name HOH  
residue id #!1/F:617 name HOH  
residue id #!1/F:618 name HOH  
residue id #!1/F:619 name HOH  
residue id #!1/F:620 name HOH  
residue id #!1/B:501 name HOH  
residue id #!1/B:502 name HOH  
residue id #!1/B:503 name HOH  
residue id #!1/B:504 name HOH  
residue id #!1/B:505 name HOH  
residue id #!1/B:506 name HOH  
residue id #!1/B:507 name HOH  
residue id #!1/B:508 name HOH  
residue id #!1/B:509 name HOH  
residue id #!1/B:510 name HOH  
residue id #!1/B:511 name HOH  
residue id #!1/B:512 name HOH  
residue id #!1/B:513 name HOH  
residue id #!1/B:514 name HOH  
residue id #!1/B:515 name HOH  
residue id #!1/B:516 name HOH  
residue id #!1/B:517 name HOH  
residue id #!1/B:518 name HOH  
residue id #!1/B:519 name HOH  
residue id #!1/B:520 name HOH  
residue id #!1/B:521 name HOH  
residue id #!1/B:522 name HOH  
residue id #!1/C:601 name HOH  
residue id #!1/C:602 name HOH  
residue id #!1/C:603 name HOH  
residue id #!1/C:604 name HOH  
residue id #!1/C:605 name HOH  
residue id #!1/C:606 name HOH  
residue id #!1/C:607 name HOH  
residue id #!1/C:608 name HOH  
residue id #!1/C:609 name HOH  
residue id #!1/C:610 name HOH  
residue id #!1/G:501 name HOH  
residue id #!1/G:502 name HOH  
residue id #!1/G:503 name HOH  
residue id #!1/G:504 name HOH  
residue id #!1/G:505 name HOH  
residue id #!1/G:506 name HOH  
residue id #!1/G:507 name HOH  
residue id #!1/G:508 name HOH  
residue id #!1/G:509 name HOH  
residue id #!1/G:510 name HOH  
residue id #!1/E:601 name HOH  
residue id #!1/E:602 name HOH  
residue id #!1/E:603 name HOH  
residue id #!1/E:604 name HOH  
residue id #!1/E:605 name HOH  
residue id #!1/E:606 name HOH  
residue id #!1/E:607 name HOH  
residue id #!1/E:608 name HOH  
residue id #!1/E:609 name HOH  
residue id #!1/E:610 name HOH  
residue id #!1/E:611 name HOH  
residue id #!1/E:612 name HOH  
residue id #!1/E:613 name HOH  
residue id #!1/E:614 name HOH  
residue id #!1/E:615 name HOH  
residue id #!1/E:616 name HOH  
residue id #!1/E:617 name HOH  
residue id #!1/E:618 name HOH  
residue id #!1/E:619 name HOH  
residue id #!1/A:601 name HOH  
residue id #!1/A:602 name HOH  
residue id #!1/A:603 name HOH  
residue id #!1/A:604 name HOH  
residue id #!1/A:605 name HOH  
residue id #!1/A:606 name HOH  
residue id #!1/A:607 name HOH  
residue id #!1/A:608 name HOH  
residue id #!1/A:609 name HOH  
residue id #!1/A:610 name HOH  
residue id #!1/A:611 name HOH  
residue id #!1/A:612 name HOH  
residue id #!1/D:601 name HOH  
residue id #!1/D:602 name HOH  
residue id #!1/D:603 name HOH  
residue id #!1/D:604 name HOH  
residue id #!1/D:605 name HOH  
residue id #!1/D:606 name HOH  
residue id #!1/D:607 name HOH  
residue id #!1/D:608 name HOH  
residue id #!1/D:609 name HOH  
residue id #!1/D:610 name HOH  
residue id #!1/D:611 name HOH  
residue id #!1/D:612 name HOH  
residue id #1.3.1/A:1 name PHE  
residue id #1.3.2/A:1 name PHE  
residue id #1.3.3/A:1 name PHE  
residue id #1.3.4/A:1 name PHE  
residue id #1.3.5/A:1 name PHE  
residue id #1.3.6/A:1 name PHE  

> ui tool show ""Add Hydrogens""

> addh #!1

Summary of feedback from adding hydrogens to 6OF8 (1).pdb #!1  
---  
notes | Termini for 6OF8 (1).pdb (#1) chain A determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain B determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain C determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain D determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain E determined from SEQRES records  
2 messages similar to the above omitted  
Chain-initial residues that are actual N termini:  
Chain-initial residues that are not actual N termini: 6OF8 (1).pdb #!1/A PRO
342, 6OF8 (1).pdb #!1/B HIS 343, 6OF8 (1).pdb #!1/C HIS 343, 6OF8 (1).pdb
#!1/D HIS 343, 6OF8 (1).pdb #!1/D SER 407, 6OF8 (1).pdb #!1/E ARG 346, 6OF8
(1).pdb #!1/F ARG 346, 6OF8 (1).pdb #!1/G HIS 343, 6OF8 (1).pdb #!1/G PRO 409  
Chain-final residues that are actual C termini: 6OF8 (1).pdb #!1/E VAL 475  
Chain-final residues that are not actual C termini: 6OF8 (1).pdb #!1/A ALA
472, 6OF8 (1).pdb #!1/B ALA 472, 6OF8 (1).pdb #!1/C ALA 472, 6OF8 (1).pdb
#!1/D SER 404, 6OF8 (1).pdb #!1/D SER 474, 6OF8 (1).pdb #!1/F PRO 473, 6OF8
(1).pdb #!1/G TRP 403, 6OF8 (1).pdb #!1/G ALA 472  
Missing OXT added to C-terminal residue 6OF8 (1).pdb #!1/E VAL 475  
1210 hydrogen bonds  
Adding 'H' to 6OF8 (1).pdb #!1/B HIS 343  
Adding 'H' to 6OF8 (1).pdb #!1/C HIS 343  
Adding 'H' to 6OF8 (1).pdb #!1/D HIS 343  
Adding 'H' to 6OF8 (1).pdb #!1/D SER 407  
Adding 'H' to 6OF8 (1).pdb #!1/E ARG 346  
2 messages similar to the above omitted  
6OF8 (1).pdb #!1/A ALA 472 is not terminus, removing H atom from 'C'  
6OF8 (1).pdb #!1/B ALA 472 is not terminus, removing H atom from 'C'  
6OF8 (1).pdb #!1/C ALA 472 is not terminus, removing H atom from 'C'  
6OF8 (1).pdb #!1/D SER 474 is not terminus, removing H atom from 'C'  
6OF8 (1).pdb #!1/F PRO 473 is not terminus, removing H atom from 'C'  
1 messages similar to the above omitted  
7270 hydrogens added  
  

> ui tool show ""Minimize Structure""

No structure to minimize  

> info models

model id #1 type AtomicStructure name ""6OF8 (1).pdb""  
model id #1.1 type PseudobondGroup name ""metal coordination bonds""  
model id #1.2 type PseudobondGroup name ""missing structure""  
model id #1.3 type Model name ""/A TRP 403 rotamers""  
model id #1.3.1 type AtomicStructure name ""rotamer 1""  
model id #1.3.2 type AtomicStructure name ""rotamer 2""  
model id #1.3.3 type AtomicStructure name ""rotamer 3""  
model id #1.3.4 type AtomicStructure name ""rotamer 4""  
model id #1.3.5 type AtomicStructure name ""rotamer 5""  
model id #1.3.6 type AtomicStructure name ""rotamer 6""  
model id #2 type PseudobondGroup name ""hydrogen bonds""  

> hide #2 models

> close #2

> minimize

Multiple structures open  

> minimize #1

Expected a keyword  

> minimize models #1

Expected a keyword  

> ui tool show ""Minimize Structure""

> minimize #1 logEnergy true

Expected a keyword  

> ui tool show ""Minimize Structure""

> minimize #1 logEnergy true

Expected a keyword  

> ui tool show ""Minimize Structure""

> minimize #1 logEnergy true

Expected a keyword  

> ui tool show ""Minimize Structure""

> ui tool show ""Add Hydrogens""

> close #1.3

> info models

model id #1 type AtomicStructure name ""6OF8 (1).pdb""  
model id #1.1 type PseudobondGroup name ""metal coordination bonds""  
model id #1.2 type PseudobondGroup name ""missing structure""  

> addh

Summary of feedback from adding hydrogens to 6OF8 (1).pdb #1  
---  
notes | Termini for 6OF8 (1).pdb (#1) chain A determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain B determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain C determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain D determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain E determined from SEQRES records  
2 messages similar to the above omitted  
Chain-initial residues that are actual N termini:  
Chain-initial residues that are not actual N termini: /A PRO 342, /B HIS 343,
/C HIS 343, /D HIS 343, /D SER 407, /E ARG 346, /F ARG 346, /G HIS 343, /G PRO
409  
Chain-final residues that are actual C termini: /E VAL 475  
Chain-final residues that are not actual C termini: /A ALA 472, /B ALA 472, /C
ALA 472, /D SER 404, /D SER 474, /F PRO 473, /G TRP 403, /G ALA 472  
1004 hydrogen bonds  
/A ALA 472 is not terminus, removing H atom from 'C'  
/B ALA 472 is not terminus, removing H atom from 'C'  
/C ALA 472 is not terminus, removing H atom from 'C'  
/D SER 474 is not terminus, removing H atom from 'C'  
/F PRO 473 is not terminus, removing H atom from 'C'  
1 messages similar to the above omitted  
0 hydrogens added  
  

> minimize

Starting dock prep  
Deleting solvent  
Deleting non-metal-complex ions  
Deleting non-current alt locs  
Deleting residues with incomplete backbones  
Summary of feedback from adding hydrogens to 6OF8 (1).pdb #1  
---  
notes | Termini for 6OF8 (1).pdb (#1) chain A determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain B determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain C determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain D determined from SEQRES records  
Termini for 6OF8 (1).pdb (#1) chain E determined from SEQRES records  
2 messages similar to the above omitted  
Chain-initial residues that are actual N termini:  
Chain-initial residues that are not actual N termini: /A PRO 342, /B HIS 343,
/C HIS 343, /D HIS 343, /D SER 407, /E ARG 346, /F ARG 346, /G HIS 343, /G PRO
409  
Chain-final residues that are actual C termini: /E VAL 475  
Chain-final residues that are not actual C termini: /A ALA 472, /B ALA 472, /C
ALA 472, /D SER 404, /D SER 474, /F PRO 473, /G TRP 403, /G ALA 472  
861 hydrogen bonds  
/A ALA 472 is not terminus, removing H atom from 'C'  
/B ALA 472 is not terminus, removing H atom from 'C'  
/C ALA 472 is not terminus, removing H atom from 'C'  
/D SER 474 is not terminus, removing H atom from 'C'  
/F PRO 473 is not terminus, removing H atom from 'C'  
1 messages similar to the above omitted  
0 hydrogens added  
  
Using Amber 20 recommended default charges and atom types for standard
residues  
Assigning partial charges to residue K (net charge +1) with am1-bcc method  
Assigning partial charges to residue GOL (net charge +0) with am1-bcc method  
3 tautomers of GOL; charging separately  
Running ANTECHAMBER command: C:/ChimeraX 1.12/bin/amber20/bin/antechamber -ek
qm_theory='AM1', -i C:\Users\gwshi\AppData\Local\Temp\tmp27bexsfe\ante.in.mol2
-fi mol2 -o C:\Users\gwshi\AppData\Local\Temp\tmp27bexsfe\ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n  
(GOL) ``  
(GOL) `Welcome to antechamber 20.0: molecular input file processor.`  
(GOL) ``  
(GOL) `Info: Finished reading file
(C:\Users\gwshi\AppData\Local\Temp\tmp27bexsfe\ante.in.mol2); atoms read (14),
bonds read (13).`  
(GOL) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/bondtype"" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/atomtype"" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) `Info: Total number of electrons: 50; net charge: 0`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/sqm"" -O -i sqm.in -o
sqm.out`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/am1bcc"" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p ""C:/ChimeraX
1.12/bin/amber20/dat/antechamber/BCCPARM.DAT"" -s 2 -j 1`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/atomtype"" -f ac -p bcc -o
ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
Charges for residue GOL determined  
Running ANTECHAMBER command: C:/ChimeraX 1.12/bin/amber20/bin/antechamber -ek
qm_theory='AM1', -i C:\Users\gwshi\AppData\Local\Temp\tmpalwj0dh4\ante.in.mol2
-fi mol2 -o C:\Users\gwshi\AppData\Local\Temp\tmpalwj0dh4\ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n  
(GOL) ``  
(GOL) `Welcome to antechamber 20.0: molecular input file processor.`  
(GOL) ``  
(GOL) `Info: Finished reading file
(C:\Users\gwshi\AppData\Local\Temp\tmpalwj0dh4\ante.in.mol2); atoms read (14),
bonds read (13).`  
(GOL) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/bondtype"" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/atomtype"" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) `Info: Total number of electrons: 50; net charge: 0`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/sqm"" -O -i sqm.in -o
sqm.out`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/am1bcc"" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p ""C:/ChimeraX
1.12/bin/amber20/dat/antechamber/BCCPARM.DAT"" -s 2 -j 1`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/atomtype"" -f ac -p bcc -o
ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
Charges for residue GOL determined  
Running ANTECHAMBER command: C:/ChimeraX 1.12/bin/amber20/bin/antechamber -ek
qm_theory='AM1', -i C:\Users\gwshi\AppData\Local\Temp\tmpxsb5topw\ante.in.mol2
-fi mol2 -o C:\Users\gwshi\AppData\Local\Temp\tmpxsb5topw\ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n  
(GOL) ``  
(GOL) `Welcome to antechamber 20.0: molecular input file processor.`  
(GOL) ``  
(GOL) `Info: Finished reading file
(C:\Users\gwshi\AppData\Local\Temp\tmpxsb5topw\ante.in.mol2); atoms read (14),
bonds read (13).`  
(GOL) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/bondtype"" -j part -i
ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/atomtype"" -i
ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) `Info: Total number of electrons: 50; net charge: 0`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/sqm"" -O -i sqm.in -o
sqm.out`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/am1bcc"" -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p ""C:/ChimeraX
1.12/bin/amber20/dat/antechamber/BCCPARM.DAT"" -s 2 -j 1`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
(GOL) `Running: ""C:/ChimeraX 1.12/bin/amber20/bin/atomtype"" -f ac -p bcc -o
ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`  
(GOL) `bash.exe: warning: could not find /tmp, please create!`  
(GOL) ``  
Charges for residue GOL determined  

1 structure has non-integral total charge.  
Details in log.  

Here are the structures will non-integral total charge along with the
particular residues from those structures with non-integral total charge:  
6OF8 (1).pdb #1: /A GLN 463: -0.4251  
Dock prep finished  
Traceback (most recent call last):  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\cmd_line\tool.py"", line
322, in execute  
cmd.run(cmd_text)  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\core\commands\cli.py"",
line 3245, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\minimize\cmd.py"", line
43, in cmd_minimize  
dock_prep_caller(session, [structure], memorize_name=""minimization"",
nogui=True,  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py"", line
146, in dock_prep_caller  
run_steps(session, state, structures)  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py"", line
161, in run_steps  
step_mod.run_for_dock_prep(session, state, run_steps, state['memorization'],
state['memorize_name'],  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\prep.py"", line
150, in prep  
callback(session, state, structures)  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py"", line
161, in run_steps  
step_mod.run_for_dock_prep(session, state, run_steps, state['memorization'],
state['memorize_name'],  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\addh\dock_prep.py"", line
56, in run_for_dock_prep  
callback(session, state, structures)  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py"", line
161, in run_steps  
step_mod.run_for_dock_prep(session, state, run_steps, state['memorization'],
state['memorize_name'],  
File ""C:\ChimeraX 1.12\bin\Lib\site-
packages\chimerax\add_charge\dock_prep.py"", line 58, in run_for_dock_prep  
callback(session, state, structures)  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\cmd.py"", line
156, in run_steps  
callback()  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\dock_prep\prep.py"", line
149, in <lambda>  
state['callback'] = lambda cb=cb, ps=postscript: (ps(), cb())  
^^^^  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\minimize\cmd.py"", line
45, in <lambda>  
steps=max_steps: _minimize(ses, struct, updates, log, steps), **kw)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\chimerax\minimize\cmd.py"", line
232, in _minimize  
system = forcefield.createSystem(top, nonbondedCutoff=1*nanometer,
constraints=HBonds)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py"", line
1279, in createSystem  
data.setAtomClasses(self)  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py"", line
683, in setAtomClasses  
self.atomClasses = [classNameForType[self.atomType[atom]] for atom in
self.atoms]  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py"", line
683, in <listcomp>  
self.atomClasses = [classNameForType[self.atomType[atom]] for atom in
self.atoms]  
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^  
KeyError: 'N'  
  
KeyError: 'N'  
  
File ""C:\ChimeraX 1.12\bin\Lib\site-packages\openmm\app\forcefield.py"", line
683, in  
self.atomClasses = [classNameForType[self.atomType[atom]] for atom in
self.atoms]  
~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 - Build 31.0.101.5382
OpenGL renderer: Intel(R) Arc(TM) Graphics
OpenGL vendor: Intel

Python: 3.11.9
Locale: ko_KR.cp949
Qt version: PyQt6 6.10.2, Qt 6.10.0
Qt runtime version: 6.10.2
Qt platform: windows

Manufacturer: LG Electronics
Model: 16Z90SP-GA5CK
OS: Microsoft Windows 11 Home (Build 22631.5189)
Memory: 16,671,768,576
MaxProcessMemory: 137,438,953,344
CPU: 18 Intel(R) Core(TM) Ultra 5 125H
OSLanguage: ko-KR

Installed Packages:
    accessible-pygments: 0.0.5
    aiohappyeyeballs: 2.6.2
    aiohttp: 3.13.4
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.13.0
    appdirs: 1.4.4
    asttokens: 3.0.1
    attrs: 26.1.0
    babel: 2.18.0
    beautifulsoup4: 4.13.5
    blockdiag: 3.0.0
    blosc2: 4.4.3
    bs4: 0.0.2
    build: 1.3.0
    certifi: 2026.5.20
    cftime: 1.6.5
    charset-normalizer: 3.4.7
    ChimeraX-AddCharge: 1.5.20
    ChimeraX-AddH: 2.2.8
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.2
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 3.2
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Animations: 1.0
    ChimeraX-Aniso: 1.3.2
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.67.1
    ChimeraX-AtomicLibrary: 14.4
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.1
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.6.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4.1
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.4
    ChimeraX-Cluster: 1.0
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3.1
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.12
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.2.2
    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: 2.5.3
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.8.2
    ChimeraX-Label: 1.5
    ChimeraX-LightingGUI: 1.0
    ChimeraX-ListInfo: 1.3.1
    ChimeraX-Log: 1.2.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.3
    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-MatchAlign: 1.2
    ChimeraX-MatchMaker: 2.4.1
    ChimeraX-MCopy: 1.0
    ChimeraX-MCPServer: 0.2.0
    ChimeraX-MDcrds: 2.19
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-Minimize: 1.3.9
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.23
    ChimeraX-ModelPanel: 1.6.1
    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: 1.0.1
    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: 1.15.4
    ChimeraX-OpenFold: 1.0
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.13
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.5
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.4
    ChimeraX-ProfileGrids: 1.6
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.8.2
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.3
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.2
    ChimeraX-Scenes: 0.3.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.12
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.18
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    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-SNFG: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.19.3
    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: 2.5.3
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.4
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.50.8
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDock: 1.6.2
    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: 1.1.5
    ChimeraX-Zone: 1.0.1
    click: 8.4.1
    colorama: 0.4.6
    comm: 0.2.3
    comtypes: 1.4.11
    contourpy: 1.3.3
    coverage: 7.14.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.2.4
    debugpy: 1.8.21
    decorator: 5.3.1
    docutils: 0.21.2
    executing: 2.2.1
    filelock: 3.19.1
    fonttools: 4.63.0
    frozenlist: 1.8.0
    funcparserlib: 2.0.0a0
    glfw: 2.10.0
    grako: 3.16.5
    h11: 0.16.0
    h5py: 3.16.0
    html2text: 2025.4.15
    httpcore: 1.0.9
    httpx: 0.28.1
    httpx-sse: 0.4.3
    idna: 3.18
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 2.0.0
    iniconfig: 2.3.0
    ipykernel: 7.1.0
    ipython: 9.9.0
    ipython_pygments_lexers: 1.1.1
    jedi: 0.19.2
    Jinja2: 3.1.6
    jsonschema: 4.26.0
    jsonschema-specifications: 2025.9.1
    jupyter_client: 8.8.0
    jupyter_core: 5.9.1
    kiwisolver: 1.5.0
    line_profiler: 5.0.0
    lxml: 6.0.2
    lz4: 4.3.2
    Markdown: 3.8.2
    MarkupSafe: 3.0.3
    matplotlib: 3.10.7
    matplotlib-inline: 0.2.2
    mcp: 1.18.0
    msgpack: 1.1.1
    multidict: 6.7.1
    narwhals: 2.22.1
    ndindex: 1.10.1
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.14.1
    numpy: 2.4.6
    numpy: 1.26.4
    nvidia-nvjitlink-cu12: 12.9.86
    OpenMM: 8.4.0
    OpenMM-CUDA-12: 8.4.0
    openvr: 1.26.701
    packaging: 25.0
    ParmEd: 4.2.2
    parso: 0.8.7
    pep517: 0.13.1
    pickleshare: 0.7.5
    pillow: 11.3.0
    pip: 25.2
    pkginfo: 1.12.1.2
    platformdirs: 4.10.0
    plotly: 6.7.0
    plotly: 6.8.0
    pluggy: 1.6.0
    prompt_toolkit: 3.0.52
    propcache: 0.5.2
    psutil: 7.0.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pybind11: 3.0.1
    pycollada: 0.8
    pydantic: 2.13.4
    pydantic-settings: 2.14.1
    pydantic_core: 2.46.4
    pydata-sphinx-theme: 0.18.0
    pydicom: 2.4.4
    Pygments: 2.18.0
    pyKVFinder: 0.9.2
    pynmrstar: 3.5.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.10
    PyOpenGL-accelerate: 3.1.10
    pyopenxr: 1.1.4501
    pyparsing: 3.3.2
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.10.2
    PyQt6-Qt6: 6.10.2
    PyQt6-WebEngine-commercial: 6.10.0
    PyQt6-WebEngine-Qt6: 6.10.2
    PyQt6_sip: 13.10.3
    pytest: 9.0.3
    pytest-cov: 7.1.0
    python-dateutil: 2.9.0.post0
    python-dotenv: 1.2.2
    python-multipart: 0.0.32
    pywin32: 311
    pyzmq: 27.1.0
    qtconsole: 5.7.0
    QtPy: 2.4.3
    qtshim: 1.2.2
    RandomWords: 0.4.0
    referencing: 0.37.0
    requests: 2.32.5
    roman-numerals: 4.1.0
    rpds-py: 2026.5.1
    scipy: 1.14.0
    setuptools: 80.9.0
    sfftk-rw: 0.8.1
    six: 1.17.0
    snowballstemmer: 3.1.1
    sortedcontainers: 2.4.0
    soupsieve: 2.8.4
    Sphinx: 9.0.4
    sphinx-autodoc-typehints: 3.6.1
    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
    sse-starlette: 3.4.4
    stack-data: 0.6.3
    starlette: 1.3.0
    superqt: 0.7.6
    tables: 3.10.2
    tcia_utils: 3.2.1
    threadpoolctl: 3.6.0
    tifffile: 2025.3.13
    tinyarray: 1.2.5
    tomlkit: 0.15.0
    tornado: 6.5.7
    tqdm: 4.68.2
    traitlets: 5.14.3
    typing-inspection: 0.4.2
    typing_extensions: 4.15.0
    tzdata: 2026.2
    Unidecode: 1.4.0
    urllib3: 2.7.0
    uvicorn: 0.49.0
    wcwidth: 0.8.1
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    WMI: 1.5.1
    yarl: 1.24.2
}}}
"	defect	new	normal		Unassigned