try: from SimpleSession.versions.v37 import beginRestore,\ registerAfterModelsCB, reportRestoreError except ImportError: from chimera import UserError raise UserError('Cannot open session that was saved in a' ' newer version of Chimera; update your version') import chimera from chimera import replyobj replyobj.status('Beginning session restore...', \ blankAfter=0) beginRestore() def restoreCoreModels(): from SimpleSession.versions.v37 import init, restoreCamera, \ restoreMolecules, restoreColors, restoreSurfaces, \ restoreVRML, restorePseudoBondGroups molInfo = {'ballScale': (1, 0.25, {}), 'ribbonHidesMainchain': (1, True, {}), 'pointSize': (1, 1, {}), 'name': (1, '2C58.pdb', {}), 'color': (1, 0, {}), 'optional': {'openedAs': (True, (1, ('/Users/bryanhanson/Desktop/2C58.pdb', 'PDB', None, False), {}))}, 'pdbHeaders': [{'KEYWDS': ['KEYWDS HYDROLASE, SERINE ESTERASE, SYNAPSE, MEMBRANE, ', 'KEYWDS 2 NEUROTRANSMITTER CLEAVAGE, ALPHA/BETA HYDROLASE, SUBSTRATE ', 'KEYWDS 3 INHIBITION, ALTERNATIVE SPLICING, GLYCOPROTEIN, GPI-ANCHOR, ', 'KEYWDS 4 LIPOPROTEIN, NEUROTRANSMITTER DEGRADATION '], 'SEQRES': ['SEQRES 1 A 537 ASP ASP HIS SER GLU LEU LEU VAL ASN THR LYS SER GLY ', 'SEQRES 2 A 537 LYS VAL MET GLY THR ARG VAL PRO VAL LEU SER SER HIS ', 'SEQRES 3 A 537 ILE SER ALA PHE LEU GLY ILE PRO PHE ALA GLU PRO PRO ', 'SEQRES 4 A 537 VAL GLY ASN MET ARG PHE ARG ARG PRO GLU PRO LYS LYS ', 'SEQRES 5 A 537 PRO TRP SER GLY VAL TRP ASN ALA SER THR TYR PRO ASN ', 'SEQRES 6 A 537 ASN CYS GLN GLN TYR VAL ASP GLU GLN PHE PRO GLY PHE ', 'SEQRES 7 A 537 SER GLY SER GLU MET TRP ASN PRO ASN ARG GLU MET SER ', 'SEQRES 8 A 537 GLU ASP CYS LEU TYR LEU ASN ILE TRP VAL PRO SER PRO ', 'SEQRES 9 A 537 ARG PRO LYS SER THR THR VAL MET VAL TRP ILE TYR GLY ', 'SEQRES 10 A 537 GLY GLY PHE TYR SER GLY SER SER THR LEU ASP VAL TYR ', 'SEQRES 11 A 537 ASN GLY LYS TYR LEU ALA TYR THR GLU GLU VAL VAL LEU ', 'SEQRES 12 A 537 VAL SER LEU SER TYR ARG VAL GLY ALA PHE GLY PHE LEU ', 'SEQRES 13 A 537 ALA LEU HIS GLY SER GLN GLU ALA PRO GLY ASN VAL GLY ', 'SEQRES 14 A 537 LEU LEU ASP GLN ARG MET ALA LEU GLN TRP VAL HIS ASP ', 'SEQRES 15 A 537 ASN ILE GLN PHE PHE GLY GLY ASP PRO LYS THR VAL THR ', 'SEQRES 16 A 537 ILE PHE GLY GLU OAS ALA GLY GLY ALA SER VAL GLY MET ', 'SEQRES 17 A 537 HIS ILE LEU SER PRO GLY SER ARG ASP LEU PHE ARG ARG ', 'SEQRES 18 A 537 ALA ILE LEU GLN SER GLY SER PRO ASN CYS PRO TRP ALA ', 'SEQRES 19 A 537 SER VAL SER VAL ALA GLU GLY ARG ARG ARG ALA VAL GLU ', 'SEQRES 20 A 537 LEU GLY ARG ASN LEU ASN CYS ASN LEU ASN SER ASP GLU ', 'SEQRES 21 A 537 GLU LEU ILE HIS CYS LEU ARG GLU LYS LYS PRO GLN GLU ', 'SEQRES 22 A 537 LEU ILE ASP VAL GLU TRP ASN VAL LEU PRO PHE ASP SER ', 'SEQRES 23 A 537 ILE PHE ARG PHE SER PHE VAL PRO VAL ILE ASP GLY GLU ', 'SEQRES 24 A 537 PHE PHE PRO THR SER LEU GLU SER MET LEU ASN SER GLY ', 'SEQRES 25 A 537 ASN PHE LYS LYS THR GLN ILE LEU LEU GLY VAL ASN LYS ', 'SEQRES 26 A 537 ASP GLU GLY SER PHE PHE LEU LEU TYR GLY ALA PRO GLY ', 'SEQRES 27 A 537 PHE SER LYS ASP SER GLU SER LYS ILE SER ARG GLU ASP ', 'SEQRES 28 A 537 PHE MET SER GLY VAL LYS LEU SER VAL PRO HIS ALA ASN ', 'SEQRES 29 A 537 ASP LEU GLY LEU ASP ALA VAL THR LEU GLN TYR THR ASP ', 'SEQRES 30 A 537 TRP MET ASP ASP ASN ASN GLY ILE LYS ASN ARG ASP GLY ', 'SEQRES 31 A 537 LEU ASP ASP ILE VAL GLY ASP HIS ASN VAL ILE CYS PRO ', 'SEQRES 32 A 537 LEU MET HIS PHE VAL ASN LYS TYR THR LYS PHE GLY ASN ', 'SEQRES 33 A 537 GLY THR TYR LEU TYR PHE PHE ASN HIS ARG ALA SER ASN ', 'SEQRES 34 A 537 LEU VAL TRP PRO GLU TRP MET GLY VAL ILE HIS GLY TYR ', 'SEQRES 35 A 537 GLU ILE GLU PHE VAL PHE GLY LEU PRO LEU VAL LYS GLU ', 'SEQRES 36 A 537 LEU ASN TYR THR ALA GLU GLU GLU ALA LEU SER ARG ARG ', 'SEQRES 37 A 537 ILE MET HIS TYR TRP ALA THR PHE ALA LYS THR GLY ASN ', 'SEQRES 38 A 537 PRO ASN GLU PRO HIS SER GLN GLU SER LYS TRP PRO LEU ', 'SEQRES 39 A 537 PHE THR THR LYS GLU GLN LYS PHE ILE ASP LEU ASN THR ', 'SEQRES 40 A 537 GLU PRO MET LYS VAL HIS GLN ARG LEU ARG VAL GLN MET ', 'SEQRES 41 A 537 CYS VAL PHE TRP ASN GLN PHE LEU PRO LYS LEU LEU ASN ', 'SEQRES 42 A 537 ALA THR ALA CYS '], 'DBREF': ['DBREF 2C58 A 1 537 UNP P04058 ACES_TORCA 22 558 '], 'TITLE': ['TITLE TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH ', 'TITLE 2 20MM ACETYLTHIOCHOLINE '], 'CISPEP': ['CISPEP 1 SER A 103 PRO A 104 0 0.22 '], 'HETSYN': ['HETSYN NAG NAG ', 'HETSYN AT3 2-{[(1S)-1-HYDROXYETHYL]THIO}-N,N,N- ', 'HETSYN 2 AT3 TRIMETHYLETHANAMINIUM '], 'LINK': ['LINK ND2 ASN A 59 C1 NAG A1540 ', 'LINK C GLU A 199 N OAS A 200 ', 'LINK C OAS A 200 N ALA A 201 ', 'LINK ND2 ASN A 416 C1 NAG A1539 '], 'HELIX': ['HELIX 1 1 VAL A 40 ARG A 44 5 5 ', 'HELIX 2 2 PHE A 78 MET A 83 1 6 ', 'HELIX 3 3 LEU A 127 ASN A 131 5 5 ', 'HELIX 4 4 GLY A 132 GLU A 140 1 9 ', 'HELIX 5 5 VAL A 150 LEU A 156 1 7 ', 'HELIX 6 6 ASN A 167 ILE A 184 1 18 ', 'HELIX 7 7 GLN A 185 PHE A 187 5 3 ', 'HELIX 8 8 OAS A 200 SER A 212 1 13 ', 'HELIX 9 9 SER A 212 ASP A 217 1 6 ', 'HELIX 10 10 SER A 237 LEU A 252 1 16 ', 'HELIX 11 11 SER A 258 LYS A 269 1 12 ', 'HELIX 12 12 LYS A 270 GLU A 278 1 9 ', 'HELIX 13 13 TRP A 279 LEU A 282 5 4 ', 'HELIX 14 14 SER A 304 GLY A 312 1 9 ', 'HELIX 15 15 GLY A 328 ALA A 336 1 9 ', 'HELIX 16 16 SER A 348 VAL A 360 1 13 ', 'HELIX 17 17 ASN A 364 TYR A 375 1 12 ', 'HELIX 18 18 ASN A 383 VAL A 400 1 18 ', 'HELIX 19 19 VAL A 400 LYS A 413 1 14 ', 'HELIX 20 20 PRO A 433 GLY A 437 5 5 ', 'HELIX 21 21 GLU A 443 PHE A 448 1 6 ', 'HELIX 22 22 GLY A 449 VAL A 453 5 5 ', 'HELIX 23 23 VAL A 453 ASN A 457 5 5 ', 'HELIX 24 24 THR A 459 GLY A 480 1 22 ', 'HELIX 25 25 ARG A 517 GLN A 526 1 10 ', 'HELIX 26 26 GLN A 526 THR A 535 1 10 '], 'REMARK': ['REMARK 1 ', 'REMARK 2 ', 'REMARK 2 RESOLUTION. 2.30 ANGSTROMS. ', 'REMARK 3 ', 'REMARK 3 REFINEMENT. ', 'REMARK 3 PROGRAM : CNS 1.1 ', 'REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- ', 'REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, ', 'REMARK 3 : READ,RICE,SIMONSON,WARREN ', 'REMARK 3 ', 'REMARK 3 REFINEMENT TARGET : NULL ', 'REMARK 3 ', 'REMARK 3 DATA USED IN REFINEMENT. ', 'REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 ', 'REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 ', 'REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 ', 'REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 3491345.870 ', 'REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 ', 'REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.9 ', 'REMARK 3 NUMBER OF REFLECTIONS : 45953 ', 'REMARK 3 ', 'REMARK 3 FIT TO DATA USED IN REFINEMENT. ', 'REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT ', 'REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM ', 'REMARK 3 R VALUE (WORKING SET) : 0.172 ', 'REMARK 3 FREE R VALUE : 0.210 ', 'REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 ', 'REMARK 3 FREE R VALUE TEST SET COUNT : 2303 ', 'REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004 ', 'REMARK 3 ', 'REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. ', 'REMARK 3 TOTAL NUMBER OF BINS USED : 20 ', 'REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.30 ', 'REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34 ', 'REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 ', 'REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2145 ', 'REMARK 3 BIN R VALUE (WORKING SET) : 0.3150 ', 'REMARK 3 BIN FREE R VALUE : 0.3510 ', 'REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.30 ', 'REMARK 3 BIN FREE R VALUE TEST SET COUNT : 119 ', 'REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.032 ', 'REMARK 3 ', 'REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. ', 'REMARK 3 PROTEIN ATOMS : 4424 ', 'REMARK 3 NUCLEIC ACID ATOMS : 0 ', 'REMARK 3 HETEROGEN ATOMS : 95 ', 'REMARK 3 SOLVENT ATOMS : 817 ', 'REMARK 3 ', 'REMARK 3 B VALUES. ', 'REMARK 3 FROM WILSON PLOT (A**2) : 38.20 ', 'REMARK 3 MEAN B VALUE (OVERALL, A**2) : 53.00 ', 'REMARK 3 OVERALL ANISOTROPIC B VALUE. ', 'REMARK 3 B11 (A**2) : 10.91000 ', 'REMARK 3 B22 (A**2) : 10.91000 ', 'REMARK 3 B33 (A**2) : -21.83000 ', 'REMARK 3 B12 (A**2) : 4.25000 ', 'REMARK 3 B13 (A**2) : 0.00000 ', 'REMARK 3 B23 (A**2) : 0.00000 ', 'REMARK 3 ', 'REMARK 3 ESTIMATED COORDINATE ERROR. ', 'REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.24 ', 'REMARK 3 ESD FROM SIGMAA (A) : 0.31 ', 'REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 ', 'REMARK 3 ', 'REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. ', 'REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.30 ', 'REMARK 3 ESD FROM C-V SIGMAA (A) : 0.36 ', 'REMARK 3 ', 'REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. ', 'REMARK 3 BOND LENGTHS (A) : 0.006 ', 'REMARK 3 BOND ANGLES (DEGREES) : 1.30 ', 'REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.50 ', 'REMARK 3 IMPROPER ANGLES (DEGREES) : 0.00 ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA ', 'REMARK 3 MAIN-CHAIN BOND (A**2) : 1.270 ; 1.500 ', 'REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.070 ; 2.000 ', 'REMARK 3 SIDE-CHAIN BOND (A**2) : 2.100 ; 2.000 ', 'REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.080 ; 2.500 ', 'REMARK 3 ', 'REMARK 3 BULK SOLVENT MODELING. ', 'REMARK 3 METHOD USED : FLAT MODEL ', 'REMARK 3 KSOL : 0.34 ', 'REMARK 3 BSOL : 98.57 ', 'REMARK 3 ', 'REMARK 3 NCS MODEL : NULL ', 'REMARK 3 ', 'REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT ', 'REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL ', 'REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM ', 'REMARK 3 PARAMETER FILE 2 : CARBOHYDRATE.PARAM ', 'REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM ', 'REMARK 3 PARAMETER FILE 4 : ION.PARAM ', 'REMARK 3 PARAMETER FILE 5 : ATCH.PARAM ', 'REMARK 3 PARAMETER FILE 6 : NULL ', 'REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP ', 'REMARK 3 TOPOLOGY FILE 2 : CARBOHYDRATE.TOP ', 'REMARK 3 TOPOLOGY FILE 3 : WATER.TOP ', 'REMARK 3 TOPOLOGY FILE 4 : ION.TOP ', 'REMARK 3 TOPOLOGY FILE 5 : ATCH.TOP ', 'REMARK 3 TOPOLOGY FILE 6 : NULL ', 'REMARK 3 ', 'REMARK 3 OTHER REFINEMENT REMARKS: NULL ', 'REMARK 4 ', 'REMARK 4 2C58 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 ', 'REMARK 4 ', 'REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. ', 'REMARK 4 REMEDIATED DATA FILE REVISION 3.102 (2007-05-31) ', 'REMARK 100 ', 'REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI . ', 'REMARK 100 THE EBI ID CODE IS EBI-26169 . ', 'REMARK 200 ', 'REMARK 200 EXPERIMENTAL DETAILS ', 'REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION ', 'REMARK 200 DATE OF DATA COLLECTION : 10-FEB-2005 ', 'REMARK 200 TEMPERATURE (KELVIN) : 100.0 ', 'REMARK 200 PH : 6.00 ', 'REMARK 200 NUMBER OF CRYSTALS USED : 1 ', 'REMARK 200 ', 'REMARK 200 SYNCHROTRON (Y/N) : Y ', 'REMARK 200 RADIATION SOURCE : ESRF ', 'REMARK 200 BEAMLINE : ID14-2 ', 'REMARK 200 X-RAY GENERATOR MODEL : NULL ', 'REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M ', 'REMARK 200 WAVELENGTH OR RANGE (A) : 0.93300 ', 'REMARK 200 MONOCHROMATOR : NULL ', 'REMARK 200 OPTICS : NULL ', 'REMARK 200 ', 'REMARK 200 DETECTOR TYPE : CCD (QUANTUM 4) ', 'REMARK 200 DETECTOR MANUFACTURER : ADSC ', 'REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS ', 'REMARK 200 DATA SCALING SOFTWARE : XSCALE ', 'REMARK 200 ', 'REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 49453 ', 'REMARK 200 RESOLUTION RANGE HIGH (A) : 2.300 ', 'REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 ', 'REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000 ', 'REMARK 200 ', 'REMARK 200 OVERALL. ', 'REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 ', 'REMARK 200 DATA REDUNDANCY : 7.140 ', 'REMARK 200 R MERGE (I) : 0.05000 ', 'REMARK 200 R SYM (I) : NULL ', 'REMARK 200 FOR THE DATA SET : 22.6300 ', 'REMARK 200 ', 'REMARK 200 IN THE HIGHEST RESOLUTION SHELL. ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30 ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.35 ', 'REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 ', 'REMARK 200 DATA REDUNDANCY IN SHELL : 7.31 ', 'REMARK 200 R MERGE FOR SHELL (I) : 0.47000 ', 'REMARK 200 R SYM FOR SHELL (I) : NULL ', 'REMARK 200 FOR SHELL : 4.430 ', 'REMARK 200 ', 'REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH ', 'REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER ', 'REMARK 200 SOFTWARE USED: CNS ', 'REMARK 200 STARTING MODEL: PDB ENTRY 1EA5 ', 'REMARK 200 ', 'REMARK 200 REMARK: NULL ', 'REMARK 280 ', 'REMARK 280 CRYSTAL ', 'REMARK 280 SOLVENT CONTENT, VS (%): 68.00 ', 'REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.80 ', 'REMARK 280 ', 'REMARK 280 CRYSTALLIZATION CONDITIONS: 32% PEG200, 150MM MES, PH6, 4DEG. ', 'REMARK 280 C. THE CRYSTAL UNDERWENT 9 SUCCESSIVE SOAKINGS OF 1 HOUR PLUS ', 'REMARK 280 1 SOAKING OF 10 MINUTES IN 200 MICROLITER FRESH MOTHER LIQUOR ', 'REMARK 280 SOLUTIONS, CONTAINING 20MM OF THE SUBSTRATE ', 'REMARK 280 ACETYLTHIOCHOLINE., PH 6.0 ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY ', 'REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 ', 'REMARK 290 ', 'REMARK 290 SYMOP SYMMETRY ', 'REMARK 290 NNNMMM OPERATOR ', 'REMARK 290 1555 X,Y,Z ', 'REMARK 290 2555 -Y,X-Y,1/3+Z ', 'REMARK 290 3555 -X+Y,-X,2/3+Z ', 'REMARK 290 4555 Y,X,-Z ', 'REMARK 290 5555 X-Y,-Y,2/3-Z ', 'REMARK 290 6555 -X,-X+Y,1/3-Z ', 'REMARK 290 ', 'REMARK 290 WHERE NNN -> OPERATOR NUMBER ', 'REMARK 290 MMM -> TRANSLATION VECTOR ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS ', 'REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM ', 'REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY ', 'REMARK 290 RELATED MOLECULES. ', 'REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 46.01000 ', 'REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 92.02000 ', 'REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 ', 'REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 92.02000 ', 'REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 46.01000 ', 'REMARK 290 ', 'REMARK 290 REMARK: NULL ', 'REMARK 300 ', 'REMARK 300 BIOMOLECULE: 1 ', 'REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT ', 'REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR ', 'REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). ', 'REMARK 350 ', 'REMARK 350 GENERATING THE BIOMOLECULE ', 'REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN ', 'REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE ', 'REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS ', 'REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND ', 'REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 1 ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, Z ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 465 ', 'REMARK 465 MISSING RESIDUES ', 'REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE ', 'REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) ', 'REMARK 465 ', 'REMARK 465 M RES C SSSEQI ', 'REMARK 465 ASP A 1 ', 'REMARK 465 ASP A 2 ', 'REMARK 465 HIS A 3 ', 'REMARK 465 CYS A 537 ', 'REMARK 470 ', 'REMARK 470 MISSING ATOM ', 'REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; ', 'REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; ', 'REMARK 470 I=INSERTION CODE): ', 'REMARK 470 M RES CSSEQI ATOMS ', 'REMARK 470 ALA A 536 CA C O CB ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS ', 'REMARK 500 ', 'REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES ', 'REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE ', 'REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION ', 'REMARK 500 MET A 308 SD MET A 308 CE 0.055 ', 'REMARK 500 THR A 535 C ALA A 536 N -0.079 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: COVALENT BOND ANGLES ', 'REMARK 500 ', 'REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES ', 'REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE ', 'REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 ', 'REMARK 500 ASP A 93 N - CA - C ANGL. DEV. = -9.3 DEGREES ', 'REMARK 500 VAL A 142 N - CA - C ANGL. DEV. =-10.0 DEGREES ', 'REMARK 500 LEU A 156 N - CA - C ANGL. DEV. = -8.0 DEGREES ', 'REMARK 500 ASN A 183 N - CA - C ANGL. DEV. = 9.1 DEGREES ', 'REMARK 500 ARG A 216 N - CA - C ANGL. DEV. = 8.4 DEGREES ', 'REMARK 500 ASN A 255 N - CA - C ANGL. DEV. = -8.0 DEGREES ', 'REMARK 500 ASP A 285 N - CA - C ANGL. DEV. =-13.2 DEGREES ', 'REMARK 500 SER A 291 N - CA - C ANGL. DEV. = 9.4 DEGREES ', 'REMARK 500 ASP A 297 N - CA - C ANGL. DEV. = 8.8 DEGREES ', 'REMARK 500 LEU A 320 N - CA - C ANGL. DEV. = -8.2 DEGREES ', 'REMARK 500 GLY A 328 N - CA - C ANGL. DEV. = 9.3 DEGREES ', 'REMARK 500 GLY A 335 N - CA - C ANGL. DEV. = 8.4 DEGREES ', 'REMARK 500 ALA A 363 N - CA - C ANGL. DEV. = 9.2 DEGREES ', 'REMARK 500 ILE A 439 N - CA - C ANGL. DEV. = 9.2 DEGREES ', 'REMARK 500 GLY A 449 N - CA - C ANGL. DEV. = 8.7 DEGREES ', 'REMARK 500 ASN A 457 N - CA - C ANGL. DEV. = 7.9 DEGREES ', 'REMARK 500 TYR A 458 N - CA - C ANGL. DEV. = -8.6 DEGREES ', 'REMARK 500 TRP A 492 N - CA - C ANGL. DEV. = -9.1 DEGREES ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: TORSION ANGLES ', 'REMARK 500 ', 'REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: ', 'REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; ', 'REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI PSI PHI ', 'REMARK 500 OAS A 200 -114.35 45.06 ', 'REMARK 525 ', 'REMARK 525 SOLVENT ', 'REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED ', 'REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE ', 'REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL ', 'REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE ', 'REMARK 525 NUMBER; I=INSERTION CODE): ', 'REMARK 525 ', 'REMARK 525 M RES CSSEQI ', 'REMARK 525 HOH Z 11 DISTANCE = 5.42 ANGSTROMS ', 'REMARK 525 HOH Z 12 DISTANCE = 7.31 ANGSTROMS ', 'REMARK 525 HOH Z 13 DISTANCE = 9.86 ANGSTROMS ', 'REMARK 525 HOH Z 14 DISTANCE = 10.14 ANGSTROMS ', 'REMARK 525 HOH Z 15 DISTANCE = 7.64 ANGSTROMS ', 'REMARK 525 HOH Z 21 DISTANCE = 6.72 ANGSTROMS ', 'REMARK 525 HOH Z 30 DISTANCE = 5.03 ANGSTROMS ', 'REMARK 525 HOH Z 32 DISTANCE = 8.28 ANGSTROMS ', 'REMARK 525 HOH Z 37 DISTANCE = 5.12 ANGSTROMS ', 'REMARK 525 HOH Z 38 DISTANCE = 7.78 ANGSTROMS ', 'REMARK 525 HOH Z 51 DISTANCE = 7.64 ANGSTROMS ', 'REMARK 525 HOH Z 62 DISTANCE = 13.30 ANGSTROMS ', 'REMARK 525 HOH Z 70 DISTANCE = 6.61 ANGSTROMS ', 'REMARK 525 HOH Z 74 DISTANCE = 6.35 ANGSTROMS ', 'REMARK 525 HOH Z 98 DISTANCE = 5.90 ANGSTROMS ', 'REMARK 525 HOH Z 143 DISTANCE = 10.28 ANGSTROMS ', 'REMARK 525 HOH Z 144 DISTANCE = 8.77 ANGSTROMS ', 'REMARK 525 HOH Z 203 DISTANCE = 5.65 ANGSTROMS ', 'REMARK 525 HOH Z 215 DISTANCE = 6.04 ANGSTROMS ', 'REMARK 525 HOH Z 216 DISTANCE = 7.97 ANGSTROMS ', 'REMARK 525 HOH Z 331 DISTANCE = 5.36 ANGSTROMS ', 'REMARK 525 HOH Z 374 DISTANCE = 8.80 ANGSTROMS ', 'REMARK 525 HOH Z 379 DISTANCE = 7.79 ANGSTROMS ', 'REMARK 525 HOH Z 380 DISTANCE = 8.26 ANGSTROMS ', 'REMARK 525 HOH Z 381 DISTANCE = 8.65 ANGSTROMS ', 'REMARK 525 HOH Z 768 DISTANCE = 7.39 ANGSTROMS ', 'REMARK 525 HOH Z 769 DISTANCE = 7.41 ANGSTROMS ', 'REMARK 525 HOH Z 772 DISTANCE = 7.24 ANGSTROMS ', 'REMARK 800 ', 'REMARK 800 SITE ', 'REMARK 800 SITE_IDENTIFIER: AC1 ', 'REMARK 800 SITE_DESCRIPTION: CL BINDING SITE FOR CHAIN A '], 'SCALE1': ['SCALE1 0.008822 0.005094 0.000000 0.00000 '], 'SCALE2': ['SCALE2 0.000000 0.010187 0.000000 0.00000 '], 'AUTHOR': ['AUTHOR J.P.COLLETIER,D.FOURNIER,H.M.GREENBLATT,J.L.SUSSMAN, ', 'AUTHOR 2 G.ZACCAI,I.SILMAN,M.WEIK '], 'CRYST1': ['CRYST1 113.350 113.350 138.030 90.00 90.00 120.00 P 31 2 1 6 '], 'ORIGX1': ['ORIGX1 1.000000 0.000000 0.000000 0.00000 '], 'ORIGX3': ['ORIGX3 0.000000 0.000000 1.000000 0.00000 '], 'ORIGX2': ['ORIGX2 0.000000 1.000000 0.000000 0.00000 '], 'MODRES': ['MODRES 2C58 OAS A 200 SER O-ACETYLSERINE ', 'MODRES 2C58 ASN A 59 ASN GLYCOSYLATION SITE ', 'MODRES 2C58 ASN A 416 ASN GLYCOSYLATION SITE '], 'SOURCE': ['SOURCE MOL_ID: 1; ', 'SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; ', 'SOURCE 3 ORGANISM_COMMON: PACIFIC ELECTRIC RAY; ', 'SOURCE 4 VARIANT: G2 FORM; ', 'SOURCE 5 ORGAN: ELECTRIC ORGAN; ', 'SOURCE 6 TISSUE: ELECTROPLAQUE '], 'FORMUL': ['FORMUL 1 OAS C5 H9 N O4 ', 'FORMUL 2 NAG 2(C8 H15 N O6) ', 'FORMUL 4 CL 7(CL 1-) ', 'FORMUL 11 ETM C5 H14 N S 1+ ', 'FORMUL 12 AT3 C7 H16 N O S 1+ ', 'FORMUL 13 PGE 4(C6 H14 O4) ', 'FORMUL 17 HOH *817(H2 O) '], 'HETNAM': ['HETNAM OAS O-ACETYLSERINE ', 'HETNAM NAG N-ACETYL-D-GLUCOSAMINE ', 'HETNAM CL CHLORIDE ION ', 'HETNAM ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL ', 'HETNAM AT3 ACETYLTHIOCHOLINE ', 'HETNAM PGE TRIETHYLENE GLYCOL '], 'COMPND': ['COMPND MOL_ID: 1; ', 'COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; ', 'COMPND 3 CHAIN: A; ', 'COMPND 4 SYNONYM: ACHE; ', 'COMPND 5 EC: 3.1.1.7 '], 'REVDAT': ['REVDAT 2 20-DEC-06 2C58 1 JRNL ', 'REVDAT 1 14-JUN-06 2C58 0 '], 'SSBOND': ['SSBOND 1 CYS A 67 CYS A 94 ', 'SSBOND 2 CYS A 254 CYS A 265 ', 'SSBOND 3 CYS A 402 CYS A 521 '], 'HET': ['HET OAS A 200 9 ', 'HET NAG A1539 14 ', 'HET NAG A1540 14 ', 'HET CL A1545 1 ', 'HET CL A1546 1 ', 'HET CL A1547 1 ', 'HET CL A1548 1 ', 'HET CL A1549 1 ', 'HET CL A1550 1 ', 'HET CL A1551 1 ', 'HET ETM A1536 7 ', 'HET AT3 A1537 10 ', 'HET PGE A1541 10 ', 'HET PGE A1542 10 ', 'HET PGE A1543 10 ', 'HET PGE A1544 10 '], 'SHEET': ['SHEET 1 AA 3 LEU A 7 THR A 10 0 ', 'SHEET 2 AA 3 GLY A 13 MET A 16 -1 O GLY A 13 N THR A 10 ', 'SHEET 3 AA 3 VAL A 57 ASN A 59 1 O TRP A 58 N MET A 16 ', 'SHEET 1 AB11 THR A 18 PRO A 21 0 ', 'SHEET 2 AB11 HIS A 26 PRO A 34 -1 O ILE A 27 N VAL A 20 ', 'SHEET 3 AB11 TYR A 96 VAL A 101 -1 O LEU A 97 N ILE A 33 ', 'SHEET 4 AB11 VAL A 142 SER A 145 -1 O LEU A 143 N TRP A 100 ', 'SHEET 5 AB11 THR A 109 ILE A 115 1 O THR A 110 N VAL A 142 ', 'SHEET 6 AB11 GLY A 189 GLU A 199 1 N ASP A 190 O THR A 109 ', 'SHEET 7 AB11 ARG A 221 GLN A 225 1 O ARG A 221 N ILE A 196 ', 'SHEET 8 AB11 ILE A 319 ASN A 324 1 O LEU A 320 N LEU A 224 ', 'SHEET 9 AB11 THR A 418 PHE A 423 1 O TYR A 419 N LEU A 321 ', 'SHEET 10 AB11 LYS A 501 LEU A 505 1 O ILE A 503 N PHE A 422 ', 'SHEET 11 AB11 VAL A 512 GLN A 514 -1 O HIS A 513 N PHE A 502 '], 'SITE': ['SITE 1 AC1 4 TRP A 84 GLU A 199 PHE A 330 HIS A 440 ', 'SITE 1 AC2 12 TYR A 70 TYR A 121 LYS A 192 TRP A 279 ', 'SITE 2 AC2 12 PHE A 330 PHE A 331 HOH Z 66 HOH Z 160 ', 'SITE 3 AC2 12 HOH Z 275 HOH Z 390 HOH Z 792 HOH Z 793 ', 'SITE 1 AC3 6 GLY A 118 GLY A 119 OAS A 200 ALA A 201 ', 'SITE 2 AC3 6 HIS A 440 HOH Z 794 ', 'SITE 1 AC4 7 ASN A 416 HOH Z 795 HOH Z 797 HOH Z 798 ', 'SITE 2 AC4 7 HOH Z 799 HOH Z 800 HOH Z 801 ', 'SITE 1 AC5 8 ASN A 59 SER A 61 HOH Z 806 HOH Z 807 ', 'SITE 2 AC5 8 HOH Z 808 HOH Z 810 HOH Z 811 HOH Z 812 ', 'SITE 1 AC6 4 GLY A 298 HOH Z 129 HOH Z 510 HOH Z 814 ', 'SITE 1 AC7 9 LYS A 325 ASP A 326 ASP A 389 ASP A 393 ', 'SITE 2 AC7 9 GLU A 434 GLY A 437 HOH Z 302 HOH Z 615 ', 'SITE 3 AC7 9 HOH Z 816 ', 'SITE 1 AC8 8 LYS A 11 ASP A 182 ASP A 285 SER A 286 ', 'SITE 2 AC8 8 GLY A 335 HOH Z 387 HOH Z 536 HOH Z 818 ', 'SITE 1 AC9 7 LYS A 11 TRP A 54 SER A 55 HOH Z 23 ', 'SITE 2 AC9 7 HOH Z 31 HOH Z 774 HOH Z 819 ', 'SITE 1 BC1 1 HOH Z 175 ', 'SITE 1 BC2 3 HOH Z 623 HOH Z 760 HOH Z 775 ', 'SITE 1 BC3 2 HOH Z 196 HOH Z 488 ', 'SITE 1 BC4 2 LYS A 133 HOH Z 53 ', 'SITE 1 BC6 1 HOH Z 17 ', 'SITE 1 BC7 3 ASN A 9 THR A 10 HOH Z 17 '], 'HEADER': ['HEADER HYDROLASE 26-OCT-05 2C58 '], 'EXPDTA': ['EXPDTA X-RAY DIFFRACTION '], 'SCALE3': ['SCALE3 0.000000 0.000000 0.007245 0.00000 '], 'JRNL': ['JRNL AUTH J.P.COLLETIER,D.FOURNIER,H.M.GREENBLATT,J.STOJAN, ', 'JRNL AUTH 2 J.L.SUSSMAN,G.ZACCAI,I.SILMAN,M.WEIK ', 'JRNL TITL STRUCTURAL INSIGHTS INTO SUBSTRATE TRAFFIC AND ', 'JRNL TITL 2 INHIBITION IN ACETYLCHOLINESTERASE. ', 'JRNL REF EMBO J. V. 25 2746 2006 ', 'JRNL REFN ASTM EMJODG UK ISSN 0261-4189 ']}], 'ids': (1, (0, 0), {}), 'surfaceOpacity': (1, -1, {}), 'autochain': (1, True, {}), 'vdwDensity': (1, 5, {}), 'hidden': (1, False, {}), 'lineWidth': (1, 1, {}), 'stickScale': (1, 1, {}), 'display': (1, True, {})} resInfo = {'insert': (1365, ' ', {}), 'name': (1365, 'HOH', {'ILE': [23, 29, 95, 111, 180, 192, 206, 219, 259, 271, 283, 292, 315, 343, 381, 390, 397, 435, 440, 465, 499], 'NAG': [533, 534], 'GLN': [64, 65, 70, 158, 169, 174, 181, 221, 268, 314, 370, 484, 496, 510, 515, 522], 'GLY': [9, 13, 28, 37, 52, 73, 76, 113, 114, 115, 119, 128, 147, 150, 156, 162, 165, 184, 185, 194, 198, 199, 203, 210, 223, 237, 245, 294, 308, 318, 324, 331, 334, 351, 363, 380, 386, 392, 411, 413, 433, 437, 445, 476], 'OAS': [196], 'GLU': [1, 33, 45, 69, 78, 85, 88, 135, 136, 159, 195, 236, 243, 256, 257, 264, 269, 274, 295, 302, 323, 340, 346, 430, 439, 441, 451, 457, 458, 459, 480, 485, 495, 504], 'ETM': [542], 'CYS': [63, 90, 227, 250, 261, 398, 517], 'HIS': [22, 155, 177, 205, 260, 358, 394, 402, 421, 436, 467, 482, 509], 'SER': [0, 8, 20, 21, 24, 51, 57, 75, 77, 87, 99, 104, 118, 120, 121, 141, 143, 157, 201, 208, 211, 222, 224, 231, 233, 254, 282, 287, 300, 303, 307, 325, 336, 339, 341, 344, 350, 355, 424, 462, 483, 486], 'LYS': [7, 10, 47, 48, 103, 129, 188, 265, 266, 311, 312, 321, 337, 342, 353, 382, 406, 409, 450, 474, 487, 494, 497, 507, 526], 'PRO': [17, 30, 34, 35, 44, 46, 49, 60, 72, 82, 98, 100, 102, 161, 187, 209, 225, 228, 267, 279, 290, 298, 333, 357, 399, 429, 447, 478, 481, 489, 505, 525], 'PGE': [544, 545, 546, 547], 'ASN': [5, 38, 55, 61, 62, 81, 83, 94, 127, 163, 179, 226, 247, 249, 251, 253, 276, 306, 309, 320, 360, 378, 379, 383, 395, 405, 412, 420, 425, 453, 477, 479, 502, 521, 529], 'AT3': [543], 'VAL': [4, 11, 16, 18, 36, 53, 67, 97, 107, 109, 125, 137, 138, 140, 146, 164, 176, 190, 202, 232, 234, 242, 273, 277, 289, 291, 319, 352, 356, 367, 391, 396, 404, 427, 434, 443, 449, 508, 514, 518], 'CL': [535, 536, 537, 538, 539, 540, 541], 'THR': [6, 14, 58, 105, 106, 122, 134, 189, 191, 299, 313, 368, 372, 408, 414, 455, 471, 475, 492, 493, 503, 531], 'ASP': [68, 89, 124, 168, 178, 186, 213, 255, 272, 281, 293, 322, 338, 347, 361, 365, 373, 376, 377, 385, 388, 389, 393, 500], 'TRP': [50, 54, 80, 96, 110, 175, 229, 275, 374, 428, 431, 469, 488, 520], 'PHE': [26, 31, 41, 71, 74, 116, 149, 151, 182, 183, 193, 215, 280, 284, 286, 288, 296, 297, 310, 326, 327, 335, 348, 403, 410, 418, 419, 442, 444, 472, 491, 498, 519, 523], 'ALA': [25, 32, 56, 132, 148, 153, 160, 172, 197, 200, 218, 230, 235, 241, 332, 359, 366, 423, 456, 460, 470, 473, 530, 532], 'MET': [12, 39, 79, 86, 108, 171, 204, 304, 349, 375, 401, 432, 466, 506, 516], 'LEU': [2, 3, 19, 27, 91, 93, 123, 131, 139, 142, 152, 154, 166, 167, 173, 207, 214, 220, 244, 248, 252, 258, 262, 270, 278, 301, 305, 316, 317, 328, 329, 354, 362, 364, 369, 387, 400, 416, 426, 446, 448, 452, 461, 490, 501, 512, 524, 527, 528], 'ARG': [15, 40, 42, 43, 84, 101, 145, 170, 212, 216, 217, 238, 239, 240, 246, 263, 285, 345, 384, 422, 463, 464, 511, 513], 'TYR': [59, 66, 92, 112, 117, 126, 130, 133, 144, 330, 371, 407, 415, 417, 438, 454, 468]}), 'chain': (1365, 'Z', {'A': (None, [(0, 548)])}), 'ss': (1365, (False, False, False), {(True, False, False): (None, [(36, 5), (74, 6), (123, 14), (146, 7), (163, 21), (196, 18), (233, 16), (254, 25), (300, 9), (324, 9), (344, 13), (360, 12), (379, 31), (429, 5), (439, 15), (455, 22), (513, 19)]), (False, True, False): (None, [(3, 4), (9, 4), (14, 4), (22, 9), (53, 3), (92, 6), (105, 7), (138, 4), (185, 11), (217, 5), (315, 6), (414, 6), (497, 5), (508, 3)])}), 'molecule': (1365, 0, {}), 'ribbonColor': (1365, None, {1: (None, [(0, 1)]), 2: (None, [(1, 1)]), 3: (None, [(2, 1)]), 4: (None, [(3, 1)]), 5: (None, [(4, 1)]), 6: (None, [(5, 1)]), 7: (None, [(6, 1)]), 8: (None, [(7, 1)]), 9: (None, [(8, 1)]), 10: (None, [(9, 1)]), 11: (None, [(10, 1)]), 12: (None, [(11, 1)]), 13: (None, [(12, 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'customColors': []} vrmlInfo = {'subid': (0, None, {}), 'display': (0, None, {}), 'id': (0, None, {}), 'vrmlString': [], 'name': (0, None, {})} colors = {'Ru': ((0.141176, 0.560784, 0.560784), 1, 'default'), 'Ni': ((0.313725, 0.815686, 0.313725), 1, 'default'), 'Re': ((0.14902, 0.490196, 0.670588), 1, 'default'), 'Rf': ((0.8, 0, 0.34902), 1, 'default'), 'Ra': ((0, 0.490196, 0), 1, 'default'), 'Rb': ((0.439216, 0.180392, 0.690196), 1, 'default'), 'Rn': ((0.258824, 0.509804, 0.588235), 1, 'default'), 'Rh': ((0.0392157, 0.490196, 0.54902), 1, 'default'), 'Be': ((0.760784, 1, 0), 1, 'default'), 'Ba': ((0, 0.788235, 0), 1, 'default'), 'Bh': ((0.878431, 0, 0.219608), 1, 'default'), 'Bi': ((0.619608, 0.309804, 0.709804), 1, 'default'), 'Bk': ((0.541176, 0.309804, 0.890196), 1, 'default'), 'Br': ((0.65098, 0.160784, 0.160784), 1, 'default'), '_openColor00': ((1, 1, 1), 1, 'default'), '_openColor01': ((1, 0, 1), 1, 'default'), '_openColor02': ((0, 1, 1), 1, 'default'), '_openColor03': ((1, 1, 0), 1, 'default'), '_openColor04': ((1, 0, 0), 1, 'default'), '_openColor05': ((0, 0, 1), 1, 'default'), '_openColor06': ((0.67, 1, 0), 1, 'default'), '_openColor07': ((0.67, 0, 1), 1, 'default'), '_openColor08': ((0.67, 1, 1), 1, 'default'), 'H': ((1, 1, 1), 1, 'default'), 'P': ((1, 0.501961, 0), 1, 'default'), 'Os': ((0.14902, 0.4, 0.588235), 1, 'default'), 'orange red': ((1, 0.270588, 0), 1, 'default'), 'Ge': ((0.4, 0.560784, 0.560784), 1, 'default'), 'Gd': ((0.270588, 1, 0.780392), 1, 'default'), 'Ga': ((0.760784, 0.560784, 0.560784), 1, 'default'), 'Pr': ((0.85098, 1, 0.780392), 1, 'default'), '_openColor12': ((1, 1, 0.5), 1, 'default'), '_openColor11': ((1, 0.67, 1), 1, 'default'), '_openColor10': ((0, 0.67, 1), 1, 'default'), 'Pt': ((0.815686, 0.815686, 0.878431), 1, 'default'), 'Pu': ((0, 0.419608, 1), 1, 'default'), 'C': ((0.564706, 0.564706, 0.564706), 1, 'default'), 'Pb': ((0.341176, 0.34902, 0.380392), 1, 'default'), 'Pa': ((0, 0.631373, 1), 1, 'default'), 'Pd': ((0, 0.411765, 0.521569), 1, 'default'), 'Xe': ((0.258824, 0.619608, 0.690196), 1, 'default'), 'Po': ((0.670588, 0.360784, 0), 1, 'default'), 'Pm': ((0.639216, 1, 0.780392), 1, 'default'), 'Hs': ((0.901961, 0, 0.180392), 1, 'default'), 'Ho': ((0, 1, 0.611765), 1, 'default'), 'Hf': ((0.301961, 0.760784, 1), 1, 'default'), 'Hg': ((0.721569, 0.721569, 0.815686), 1, 'default'), 'He': ((0.85098, 1, 1), 1, 'default'), 'Md': ((0.701961, 0.0509804, 0.65098), 1, 'default'), 'Mg': ((0.541176, 1, 0), 1, 'default'), 'K': ((0.560784, 0.25098, 0.831373), 1, 'default'), 'Mn': ((0.611765, 0.478431, 0.780392), 1, 'default'), 'O': ((1, 0.0509804, 0.0509804), 1, 'default'), 'Mt': ((0.921569, 0, 0.14902), 1, 'default'), 'S': ((1, 1, 0.188235), 1, 'default'), 'W': ((0.129412, 0.580392, 0.839216), 1, 'default'), 'Zn': ((0.490196, 0.501961, 0.690196), 1, 'default'), 'Eu': ((0.380392, 1, 0.780392), 1, 'default'), 'Zr': ((0.580392, 0.878431, 0.878431), 1, 'default'), 'Er': ((0, 0.901961, 0.458824), 1, 'default'), '_openColor13': ((1, 0, 0.5), 1, 'default'), 'No': ((0.741176, 0.0509804, 0.529412), 1, 'default'), 'Na': ((0.670588, 0.360784, 0.94902), 1, 'default'), 'Nb': ((0.45098, 0.760784, 0.788235), 1, 'default'), 'Nd': ((0.780392, 1, 0.780392), 1, 'default'), 'Ne': ((0.701961, 0.890196, 0.960784), 1, 'default'), 'dodger blue': ((0.117647, 0.564706, 1), 1, 'default'), 'Np': ((0, 0.501961, 1), 1, 'default'), 'Fr': ((0.258824, 0, 0.4), 1, 'default'), '_openColor15': ((0.67, 0.67, 1), 1, 'default'), '_openColor14': ((0, 1, 0.5), 1, 'default'), 'Fe': ((0.878431, 0.4, 0.2), 1, 'default'), 'Fm': ((0.701961, 0.121569, 0.729412), 1, 'default'), 'B': ((1, 0.709804, 0.709804), 1, 'default'), 'F': ((0.564706, 0.878431, 0.313725), 1, 'default'), 'Sr': ((0, 1, 0), 1, 'default'), 'N': ((0.188235, 0.313725, 0.972549), 1, 'default'), 'Kr': ((0.360784, 0.721569, 0.819608), 1, 'default'), 'Si': ((0.941176, 0.784314, 0.627451), 1, 'default'), 'Sn': ((0.4, 0.501961, 0.501961), 1, 'default'), 'Sm': ((0.560784, 1, 0.780392), 1, 'default'), 'V': ((0.65098, 0.65098, 0.670588), 1, 'default'), 'Sc': ((0.901961, 0.901961, 0.901961), 1, 'default'), 'Sb': ((0.619608, 0.388235, 0.709804), 1, 'default'), 'Sg': ((0.85098, 0, 0.270588), 1, 'default'), 'Se': ((1, 0.631373, 0), 1, 'default'), 'Co': ((0.941176, 0.564706, 0.627451), 1, 'default'), 'Cm': ((0.470588, 0.360784, 0.890196), 1, 'default'), 'Cl': ((0.121569, 0.941176, 0.121569), 1, 'default'), 'Ca': ((0.239216, 1, 0), 1, 'default'), 'Cf': ((0.631373, 0.211765, 0.831373), 1, 'default'), 'Ce': ((1, 1, 0.780392), 1, 'default'), 'Cd': ((1, 0.85098, 0.560784), 1, 'default'), 'Tm': ((0, 0.831373, 0.321569), 1, 'default'), 'Cs': ((0.341176, 0.0901961, 0.560784), 1, 'default'), 'Cr': ((0.541176, 0.6, 0.780392), 1, 'default'), 'Cu': ((0.784314, 0.501961, 0.2), 1, 'default'), 'La': ((0.439216, 0.831373, 1), 1, 'default'), 'Li': ((0.8, 0.501961, 1), 1, 'default'), 'Tl': ((0.65098, 0.329412, 0.301961), 1, 'default'), 'Lu': ((0, 0.670588, 0.141176), 1, 'default'), 'Lr': ((0.780392, 0, 0.4), 1, 'default'), 'Th': ((0, 0.729412, 1), 1, 'default'), 'Ti': ((0.74902, 0.760784, 0.780392), 1, 'default'), 'Te': ((0.831373, 0.478431, 0), 1, 'default'), 'Tb': ((0.188235, 1, 0.780392), 1, 'default'), 'Tc': ((0.231373, 0.619608, 0.619608), 1, 'default'), 'Ta': ((0.301961, 0.65098, 1), 1, 'default'), 'Yb': ((0, 0.74902, 0.219608), 1, 'default'), 'Db': ((0.819608, 0, 0.309804), 1, 'default'), 'Dy': ((0.121569, 1, 0.780392), 1, 'default'), '_openColor09': ((1, 0.67, 0), 1, 'default'), 'At': ((0.458824, 0.309804, 0.270588), 1, 'default'), 'I': ((0.580392, 0, 0.580392), 1, 'default'), 'U': ((0, 0.560784, 1), 1, 'default'), 'Y': ((0.580392, 1, 1), 1, 'default'), 'Ac': ((0.439216, 0.670588, 0.980392), 1, 'default'), 'Ag': ((0.752941, 0.752941, 0.752941), 1, 'default'), 'Ir': ((0.0901961, 0.329412, 0.529412), 1, 'default'), 'Am': ((0.329412, 0.360784, 0.94902), 1, 'default'), 'Al': ((0.74902, 0.65098, 0.65098), 1, 'default'), 'As': ((0.741176, 0.501961, 0.890196), 1, 'default'), 'Ar': ((0.501961, 0.819608, 0.890196), 1, 'default'), 'Au': ((1, 0.819608, 0.137255), 1, 'default'), 'Es': ((0.701961, 0.121569, 0.831373), 1, 'default'), 'In': ((0.65098, 0.458824, 0.45098), 1, 'default'), 'Mo': ((0.329412, 0.709804, 0.709804), 1, 'default')} materials = {'default': ((1, 1, 1), 30)} pbInfo = {'category': ['distance monitor'], 'bondInfo': [{'color': (0, None, {}), 'atoms': [], 'label': (0, None, {}), 'halfbond': (0, None, {}), 'labelColor': (0, None, {}), 'drawMode': (0, None, {}), 'display': (0, None, {})}], 'lineType': (1, 2, {}), 'color': (1, 400, {}), 'showStubBonds': (1, False, {}), 'lineWidth': (1, 1, {}), 'stickScale': (1, 1, {}), 'id': [-2]} colorInfo = {0: ('_openColor00', (1, 1, 1, 1)), 1: ('blue', (0, 0, 1, 1)), 2: ('', (0, 0.0075188, 1, 1)), 3: ('', (0, 0.0150376, 1, 1)), 4: ('', (0, 0.0225564, 1, 1)), 5: ('', (0, 0.0300752, 1, 1)), 6: ('', (0, 0.037594, 1, 1)), 7: ('', (0, 0.0451128, 1, 1)), 8: ('', (0, 0.0526316, 1, 1)), 9: ('', (0, 0.0601504, 1, 1)), 10: ('', (0, 0.0676692, 1, 1)), 11: ('', (0, 0.075188, 1, 1)), 12: ('', (0, 0.0827068, 1, 1)), 13: ('', (0, 0.0902256, 1, 1)), 14: ('', (0, 0.0977444, 1, 1)), 15: ('', (0, 0.105263, 1, 1)), 16: ('', (0, 0.112782, 1, 1)), 17: ('', (0, 0.120301, 1, 1)), 18: ('', (0, 0.12782, 1, 1)), 19: ('', (0, 0.135338, 1, 1)), 20: ('', (0, 0.142857, 1, 1)), 21: ('', (0, 0.150376, 1, 1)), 22: ('', (0, 0.157895, 1, 1)), 23: ('', (0, 0.165414, 1, 1)), 24: ('', (0, 0.172932, 1, 1)), 25: ('', (0, 0.180451, 1, 1)), 26: ('', (0, 0.18797, 1, 1)), 27: ('', (0, 0.195489, 1, 1)), 28: ('', (0, 0.203008, 1, 1)), 29: ('', (0, 0.210526, 1, 1)), 30: ('', (0, 0.218045, 1, 1)), 31: ('', (0, 0.225564, 1, 1)), 32: ('', (0, 0.233083, 1, 1)), 33: ('', (0, 0.240602, 1, 1)), 34: ('', (0, 0.24812, 1, 1)), 35: ('', (0, 0.255639, 1, 1)), 36: ('', (0, 0.263158, 1, 1)), 37: ('', (0, 0.270677, 1, 1)), 38: ('', (0, 0.278195, 1, 1)), 39: ('', (0, 0.285714, 1, 1)), 40: ('', (0, 0.293233, 1, 1)), 41: ('', (0, 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512: ('', (1, 0.157895, 0, 1)), 513: ('', (1, 0.150376, 0, 1)), 514: ('', (1, 0.142857, 0, 1)), 515: ('', (1, 0.135338, 0, 1)), 516: ('', (1, 0.12782, 0, 1)), 517: ('', (1, 0.120301, 0, 1)), 518: ('', (1, 0.112782, 0, 1)), 519: ('', (1, 0.105263, 0, 1)), 520: ('', (1, 0.0977444, 0, 1)), 521: ('', (1, 0.0902256, 0, 1)), 522: ('', (1, 0.0827068, 0, 1)), 523: ('', (1, 0.075188, 0, 1)), 524: ('', (1, 0.0676692, 0, 1)), 525: ('', (1, 0.0601504, 0, 1)), 526: ('', (1, 0.0526316, 0, 1)), 527: ('', (1, 0.0451128, 0, 1)), 528: ('', (1, 0.037594, 0, 1)), 529: ('', (1, 0.0300752, 0, 1)), 530: ('', (1, 0.0225564, 0, 1)), 531: ('', (1, 0.0150376, 0, 1)), 532: ('', (1, 0.0075188, 0, 1)), 533: ('red', (1, 0, 0, 1)), 534: ('N', (0.188235, 0.313725, 0.972549, 1)), 535: ('O', (1, 0.0509804, 0.0509804, 1)), 536: ('S', (1, 1, 0.188235, 1)), 537: ('Cl', (0.121569, 0.941176, 0.121569, 1)), 538: ('black', (0, 0, 0, 1))} detail = 1 viewerFog = None viewerBG = 538 viewerHL = 267 viewerLB = 267 viewerAttrs = {'silhouetteColor': None, 'yonIntensity': 0.1, 'showSilhouette': False, 'startRatio': 0.5, 'viewSize': 45.928, 'scaleFactor': 0.989116, 'silhouetteWidth': 1, 'depthCue': True, 'highlight': 0, 'lensBorder': True} cameraAttrs = {'center': (2.832, 66.8055, 55.587), 'fieldOfView': 32.7037, 'nearFar': (101.515, 9.65896), 'ortho': False, 'eyeSeparation': 50.8, 'focal': 55.587} cameraMode = 'mono' replyobj.status("Initializing session restore...", blankAfter=0) init(colorInfo) replyobj.status("Restoring colors...", blankAfter=0) restoreColors(colors, materials) replyobj.status("Restoring molecules...", blankAfter=0) restoreMolecules(molInfo, resInfo, atomInfo, bondInfo, crdInfo) replyobj.status("Restoring surfaces...", blankAfter=0) restoreSurfaces(surfInfo) replyobj.status("Restoring VRML models...", blankAfter=0) restoreVRML(vrmlInfo) replyobj.status("Restoring pseudobond groups...", blankAfter=0) restorePseudoBondGroups(pbInfo) replyobj.status("Restoring camera...", blankAfter=0) restoreCamera(detail, viewerFog, viewerBG, viewerHL, viewerLB, viewerAttrs, cameraAttrs, cameraMode) replyobj.status("Restoring other models...", blankAfter=0) try: restoreCoreModels() except: reportRestoreError("Error restoring core models") replyobj.status("Restoring extension info...", blankAfter=0) def restore_surface_zones(): surface_zone_state = \ { 'class': 'Surface_Zone_State', 'version': 1, 'zone_table': {}, } try: import SurfaceZone.session SurfaceZone.session.restore_surface_zone_state(surface_zone_state) except: reportRestoreError('Error restoring surface zones') registerAfterModelsCB(restore_surface_zones) def restore_volume_data(): volume_data_state = \ { 'class': 'Volume_Manager_State', 'data_and_regions_state': [ ], 'version': 2, } from VolumeViewer import session session.restore_volume_data_state(volume_data_state) try: restore_volume_data() except: reportRestoreError('Error restoring volume data') def restore_surface_color_mapping(): try: surface_color_state = \ { 'class': 'Surface_Colorings_State', 'coloring_table': {}, 'geometry': '388x198+108+217', 'is_visible': False, 'version': 2, } import SurfaceColor.session SurfaceColor.session.restore_surface_color_state(surface_color_state) except: reportRestoreError('Error restoring surface color mapping') registerAfterModelsCB(restore_surface_color_mapping) def restore_surface_capping(): capper_state = \ { 'cap_offset': '0.001', 'cap_rgba': ( 1, 1, 1, 1.0, ), 'cap_style': 'solid', 'class': 'Capper_Dialog_State', 'color_caps': True, 'geometry': '272x192+98+184', 'is_visible': False, 'show_caps': False, 'subdivision_factor': '1.0', 'version': 1, } import SurfaceCap.session SurfaceCap.session.restore_capper_state(capper_state) try: restore_surface_capping() except: reportRestoreError('Error restoring surface capping') def restoreLightController(): import Lighting c = Lighting.get().setFromParams({'shininess': (30.0, (1.0, 1.0, 1.0), 1.0), 'key': (True, (1.0, 1.0, 1.0), 0.65327227115631104, (1.0, 1.0, 1.0), 1.0, (-0.35740674433659325, 0.66040155174814541, 0.66040155174814552)), 'fill': (True, (1.0, 1.0, 1.0), 0.49998998641967773, (1.0, 1.0, 1.0), 0.0, (0.25056280708573153, 0.25056280708573153, 0.93511312653102929))}) try: restoreLightController() except: reportRestoreError("Error restoring lighting parameters") def restoreSession_RibbonStyleEditor(): import SimpleSession import RibbonStyleEditor userScalings = [] userXSections = [] userResidueClasses = [] residueData = [(1, 'Chimera default', 'rounded', 'amino acid'), (2, 'Chimera default', 'rounded', 'amino acid'), (3, 'Chimera default', 'rounded', 'amino acid'), (4, 'Chimera default', 'rounded', 'amino acid'), (5, 'Chimera default', 'rounded', 'amino acid'), (6, 'Chimera default', 'rounded', 'amino acid'), (7, 'Chimera default', 'rounded', 'amino acid'), (8, 'Chimera default', 'rounded', 'amino acid'), (9, 'Chimera default', 'rounded', 'amino acid'), (10, 'Chimera default', 'rounded', 'amino acid'), (11, 'Chimera default', 'rounded', 'amino acid'), (12, 'Chimera default', 'rounded', 'amino acid'), (13, 'Chimera default', 'rounded', 'amino acid'), (14, 'Chimera default', 'rounded', 'amino acid'), (15, 'Chimera default', 'rounded', 'amino acid'), (16, 'Chimera default', 'rounded', 'amino acid'), (17, 'Chimera default', 'rounded', 'amino acid'), (18, 'Chimera default', 'rounded', 'amino acid'), (19, 'Chimera default', 'rounded', 'amino acid'), (20, 'Chimera default', 'rounded', 'amino acid'), (21, 'Chimera default', 'rounded', 'amino acid'), (22, 'Chimera default', 'rounded', 'amino acid'), (23, 'Chimera default', 'rounded', 'amino acid'), (24, 'Chimera default', 'rounded', 'amino acid'), (25, 'Chimera default', 'rounded', 'amino acid'), (26, 'Chimera default', 'rounded', 'amino acid'), (27, 'Chimera default', 'rounded', 'amino acid'), (28, 'Chimera default', 'rounded', 'amino acid'), (29, 'Chimera default', 'rounded', 'amino acid'), (30, 'Chimera default', 'rounded', 'amino acid'), (31, 'Chimera default', 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