| content |
HEADER TRANSFERASE 11-DEC-14 4X92
TITLE CRYSTAL STRUCTURE OF LYSOSOMAL PHOSPHOLIPASE A2-S165A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GROUP XV PHOSPHOLIPASE A2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UNP RESIDUES 34-412;
COMPND 5 SYNONYM: 1-O-ACYLCERAMIDE SYNTHASE,ACS,LCAT-LIKE LYSOPHOSPHOLIPASE,
COMPND 6 LLPL,LYSOPHOSPHOLIPASE 3,LYSOSOMAL PHOSPHOLIPASE A2,LPLA2;
COMPND 7 EC: 2.3.1.-;
COMPND 8 ENGINEERED: YES;
COMPND 9 MUTATION: YES;
COMPND 10 OTHER_DETAILS: S165A MUTANT OF HUMAN LYSOSOMAL PHOSPHOLIPASE A2
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: PLA2G15, LYPLA3, UNQ341/PRO540;
SOURCE 6 EXPRESSION_SYSTEM: HOMO SAPIENS;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606;
SOURCE 8 EXPRESSION_SYSTEM_CELL_LINE: HEK293S GNTI-;
SOURCE 9 EXPRESSION_SYSTEM_ATCC_NUMBER: CRL-3022
KEYWDS HYDROLASE, PHOSPHOLIPASE, ESTERASE, ACYLTRANSFERASE, TRANSFERASE
EXPDTA X-RAY DIFFRACTION
AUTHOR A.GLUKHOVA,J.J.G.TESMER
REVDAT 1 11-MAR-15 4X92 0
JRNL AUTH A.GLUKHOVA,V.HINKOVSKA-GALCHEVA,R.KELLY,A.ABE,J.A.SHAYMAN,
JRNL AUTH 2 J.J.G.TESMER
JRNL TITL STRUCTURE AND FUNCTION OF LYSOSOMAL PHOSPHOLIPASE A2 AND
JRNL TITL 2 LECITHIN:CHOLESTEROL ACYLTRANSFERASE
JRNL REF NAT COMMUN 2015
JRNL REFN ESSN 2041-1723
JRNL DOI 10.1038/NCOMMS7250
REMARK 2
REMARK 2 RESOLUTION. 3.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC 5.8.0073
REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON
REMARK 3
REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 98.5
REMARK 3 NUMBER OF REFLECTIONS : 14138
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 + TEST SET) : 0.190
REMARK 3 R VALUE (WORKING SET) : 0.188
REMARK 3 FREE R VALUE : 0.220
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100
REMARK 3 FREE R VALUE TEST SET COUNT : 764
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) : 3.00
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.08
REMARK 3 REFLECTION IN BIN (WORKING SET) : 1025
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.91
REMARK 3 BIN R VALUE (WORKING SET) : 0.2910
REMARK 3 BIN FREE R VALUE SET COUNT : 61
REMARK 3 BIN FREE R VALUE : 0.3230
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3029
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 56
REMARK 3 SOLVENT ATOMS : 20
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.39
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 0.00000
REMARK 3 B22 (A**2) : 0.00000
REMARK 3 B33 (A**2) : 0.00000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): 0.780
REMARK 3 ESU BASED ON FREE R VALUE (A): 0.317
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.220
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 26.723
REMARK 3
REMARK 3 CORRELATION COEFFICIENTS.
REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.936
REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.915
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT
REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3183 ; 0.009 ; 0.019
REMARK 3 BOND LENGTHS OTHERS (A): 2961 ; 0.001 ; 0.020
REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4341 ; 1.349 ; 1.978
REMARK 3 BOND ANGLES OTHERS (DEGREES): 6798 ; 0.775 ; 3.000
REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 378 ; 6.003 ; 5.000
REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 145 ;32.809 ;23.448
REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 501 ;15.780 ;15.000
REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 21 ;18.705 ;15.000
REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 471 ; 0.077 ; 0.200
REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3559 ; 0.006 ; 0.021
REMARK 3 GENERAL PLANES OTHERS (A): 744 ; 0.001 ; 0.020
REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL
REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL
REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL
REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL
REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1509 ; 1.225 ; 3.219
REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1508 ; 1.219 ; 3.217
REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1885 ; 2.094 ; 4.826
REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3
REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT
REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL
REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL
REMARK 3
REMARK 3 NCS RESTRAINTS STATISTICS
REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 1
REMARK 3
REMARK 3 TLS GROUP : 1
REMARK 3 NUMBER OF COMPONENTS GROUP : 1
REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI
REMARK 3 RESIDUE RANGE : A 3 A 383
REMARK 3 ORIGIN FOR THE GROUP (A): -26.8048 60.1309 37.3837
REMARK 3 T TENSOR
REMARK 3 T11: 0.0250 T22: 0.0271
REMARK 3 T33: 0.0067 T12: -0.0223
REMARK 3 T13: -0.0111 T23: 0.0096
REMARK 3 L TENSOR
REMARK 3 L11: 1.0253 L22: 1.0355
REMARK 3 L33: 2.1908 L12: 0.2563
REMARK 3 L13: 0.0419 L23: 0.2897
REMARK 3 S TENSOR
REMARK 3 S11: -0.0119 S12: 0.0313 S13: 0.0176
REMARK 3 S21: -0.0239 S22: 0.0297 S23: -0.0250
REMARK 3 S31: 0.0007 S32: 0.1210 S33: -0.0178
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : MASK
REMARK 3 PARAMETERS FOR MASK CALCULATION
REMARK 3 VDW PROBE RADIUS : 1.20
REMARK 3 ION PROBE RADIUS : 0.80
REMARK 3 SHRINKAGE RADIUS : 0.80
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING
REMARK 3 POSITIONS U VALUES : WITH TLS ADDED
REMARK 4
REMARK 4 4X92 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-DEC-14.
REMARK 100 THE DEPOSITION ID IS D_1000205266.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 14-JUN-13
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : APS
REMARK 200 BEAMLINE : 23-ID-D
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.97937
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200 DATA SCALING SOFTWARE : HKL-2000
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14922
REMARK 200 RESOLUTION RANGE HIGH (A) : 3.000
REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7
REMARK 200 DATA REDUNDANCY : 5.600
REMARK 200 R MERGE (I) : 0.21700
REMARK 200 R SYM (I) : NULL
REMARK 200 FOR THE DATA SET : 3.9000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.00
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.05
REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0
REMARK 200 DATA REDUNDANCY IN SHELL : 5.60
REMARK 200 R MERGE FOR SHELL (I) : 0.93000
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: 4X90
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 70.23
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.13
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM NA CACODYLATE PH 6.5, 10% PEG
REMARK 280 8000, 200 MM MG(CH3COO) IN THE PRESENCE OF DOPC LIPOSOMES, VAPOR
REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 277K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 41 3 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y+1/2,Z+1/2
REMARK 290 3555 -X+1/2,Y+1/2,-Z
REMARK 290 4555 X+1/2,-Y,-Z+1/2
REMARK 290 5555 Z,X,Y
REMARK 290 6555 Z+1/2,-X,-Y+1/2
REMARK 290 7555 -Z,-X+1/2,Y+1/2
REMARK 290 8555 -Z+1/2,X+1/2,-Y
REMARK 290 9555 Y,Z,X
REMARK 290 10555 -Y+1/2,Z+1/2,-X
REMARK 290 11555 Y+1/2,-Z,-X+1/2
REMARK 290 12555 -Y,-Z+1/2,X+1/2
REMARK 290 13555 Y+3/4,X+1/4,-Z+3/4
REMARK 290 14555 -Y+1/4,-X+1/4,-Z+1/4
REMARK 290 15555 Y+1/4,-X+3/4,Z+3/4
REMARK 290 16555 -Y+3/4,X+3/4,Z+1/4
REMARK 290 17555 X+3/4,Z+1/4,-Y+3/4
REMARK 290 18555 -X+3/4,Z+3/4,Y+1/4
REMARK 290 19555 -X+1/4,-Z+1/4,-Y+1/4
REMARK 290 20555 X+1/4,-Z+3/4,Y+3/4
REMARK 290 21555 Z+3/4,Y+1/4,-X+3/4
REMARK 290 22555 Z+1/4,-Y+3/4,X+3/4
REMARK 290 23555 -Z+3/4,Y+3/4,X+1/4
REMARK 290 24555 -Z+1/4,-Y+1/4,-X+1/4
REMARK 290 25555 X,Y+1/2,Z+1/2
REMARK 290 26555 -X,-Y,Z
REMARK 290 27555 -X+1/2,Y,-Z+1/2
REMARK 290 28555 X+1/2,-Y+1/2,-Z
REMARK 290 29555 Z,X+1/2,Y+1/2
REMARK 290 30555 Z+1/2,-X+1/2,-Y
REMARK 290 31555 -Z,-X,Y
REMARK 290 32555 -Z+1/2,X,-Y+1/2
REMARK 290 33555 Y,Z+1/2,X+1/2
REMARK 290 34555 -Y+1/2,Z,-X+1/2
REMARK 290 35555 Y+1/2,-Z+1/2,-X
REMARK 290 36555 -Y,-Z,X
REMARK 290 37555 Y+3/4,X+3/4,-Z+1/4
REMARK 290 38555 -Y+1/4,-X+3/4,-Z+3/4
REMARK 290 39555 Y+1/4,-X+1/4,Z+1/4
REMARK 290 40555 -Y+3/4,X+1/4,Z+3/4
REMARK 290 41555 X+3/4,Z+3/4,-Y+1/4
REMARK 290 42555 -X+3/4,Z+1/4,Y+3/4
REMARK 290 43555 -X+1/4,-Z+3/4,-Y+3/4
REMARK 290 44555 X+1/4,-Z+1/4,Y+1/4
REMARK 290 45555 Z+3/4,Y+3/4,-X+1/4
REMARK 290 46555 Z+1/4,-Y+1/4,X+1/4
REMARK 290 47555 -Z+3/4,Y+1/4,X+3/4
REMARK 290 48555 -Z+1/4,-Y+3/4,-X+3/4
REMARK 290 49555 X+1/2,Y,Z+1/2
REMARK 290 50555 -X+1/2,-Y+1/2,Z
REMARK 290 51555 -X,Y+1/2,-Z+1/2
REMARK 290 52555 X,-Y,-Z
REMARK 290 53555 Z+1/2,X,Y+1/2
REMARK 290 54555 Z,-X,-Y
REMARK 290 55555 -Z+1/2,-X+1/2,Y
REMARK 290 56555 -Z,X+1/2,-Y+1/2
REMARK 290 57555 Y+1/2,Z,X+1/2
REMARK 290 58555 -Y,Z+1/2,-X+1/2
REMARK 290 59555 Y,-Z,-X
REMARK 290 60555 -Y+1/2,-Z+1/2,X
REMARK 290 61555 Y+1/4,X+1/4,-Z+1/4
REMARK 290 62555 -Y+3/4,-X+1/4,-Z+3/4
REMARK 290 63555 Y+3/4,-X+3/4,Z+1/4
REMARK 290 64555 -Y+1/4,X+3/4,Z+3/4
REMARK 290 65555 X+1/4,Z+1/4,-Y+1/4
REMARK 290 66555 -X+1/4,Z+3/4,Y+3/4
REMARK 290 67555 -X+3/4,-Z+1/4,-Y+3/4
REMARK 290 68555 X+3/4,-Z+3/4,Y+1/4
REMARK 290 69555 Z+1/4,Y+1/4,-X+1/4
REMARK 290 70555 Z+3/4,-Y+3/4,X+1/4
REMARK 290 71555 -Z+1/4,Y+3/4,X+3/4
REMARK 290 72555 -Z+3/4,-Y+1/4,-X+3/4
REMARK 290 73555 X+1/2,Y+1/2,Z
REMARK 290 74555 -X+1/2,-Y,Z+1/2
REMARK 290 75555 -X,Y,-Z
REMARK 290 76555 X,-Y+1/2,-Z+1/2
REMARK 290 77555 Z+1/2,X+1/2,Y
REMARK 290 78555 Z,-X+1/2,-Y+1/2
REMARK 290 79555 -Z+1/2,-X,Y+1/2
REMARK 290 80555 -Z,X,-Y
REMARK 290 81555 Y+1/2,Z+1/2,X
REMARK 290 82555 -Y,Z,-X
REMARK 290 83555 Y,-Z+1/2,-X+1/2
REMARK 290 84555 -Y+1/2,-Z,X+1/2
REMARK 290 85555 Y+1/4,X+3/4,-Z+3/4
REMARK 290 86555 -Y+3/4,-X+3/4,-Z+1/4
REMARK 290 87555 Y+3/4,-X+1/4,Z+3/4
REMARK 290 88555 -Y+1/4,X+1/4,Z+1/4
REMARK 290 89555 X+1/4,Z+3/4,-Y+3/4
REMARK 290 90555 -X+1/4,Z+1/4,Y+1/4
REMARK 290 91555 -X+3/4,-Z+3/4,-Y+1/4
REMARK 290 92555 X+3/4,-Z+1/4,Y+3/4
REMARK 290 93555 Z+1/4,Y+3/4,-X+3/4
REMARK 290 94555 Z+3/4,-Y+1/4,X+3/4
REMARK 290 95555 -Z+1/4,Y+1/4,X+1/4
REMARK 290 96555 -Z+3/4,-Y+3/4,-X+1/4
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 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 25 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 25 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY3 25 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY1 26 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 26 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 26 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 27 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 27 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 27 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY1 28 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 28 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY3 28 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 29 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 29 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 29 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY1 30 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY2 30 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 30 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 31 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 31 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 31 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 32 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY2 32 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 32 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY1 33 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 33 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY3 33 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 34 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY2 34 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 34 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 35 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY2 35 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY3 35 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 36 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 36 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 36 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 37 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY2 37 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 37 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY1 38 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY2 38 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 38 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY1 39 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY2 39 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 39 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY1 40 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY2 40 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 40 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY1 41 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 41 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY3 41 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY1 42 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 42 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY3 42 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY1 43 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 43 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY3 43 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY1 44 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 44 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY3 44 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY1 45 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY2 45 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY3 45 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 46 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY2 46 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY3 46 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 47 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY2 47 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY3 47 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 48 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY2 48 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY3 48 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 49 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 49 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 49 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY1 50 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 50 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY3 50 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 51 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 51 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY3 51 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY1 52 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 52 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 52 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 53 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY2 53 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 53 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY1 54 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 54 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 54 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 55 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY2 55 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 55 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 56 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 56 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 56 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY1 57 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY2 57 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 57 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 58 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 58 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY3 58 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 59 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 59 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 59 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 60 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY2 60 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY3 60 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 61 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY2 61 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 61 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY1 62 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY2 62 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 62 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY1 63 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY2 63 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 63 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY1 64 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY2 64 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 64 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY1 65 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 65 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY3 65 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY1 66 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 66 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY3 66 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY1 67 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 67 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY3 67 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY1 68 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 68 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY3 68 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY1 69 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY2 69 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY3 69 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 70 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY2 70 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY3 70 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 71 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY2 71 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY3 71 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 72 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY2 72 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY3 72 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 73 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 73 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY3 73 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 74 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY2 74 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 74 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY1 75 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 75 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 75 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 76 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 76 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY3 76 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY1 77 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY2 77 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 77 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY1 78 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY2 78 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY3 78 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY1 79 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY2 79 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 79 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY1 80 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY2 80 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 80 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY1 81 0.000000 1.000000 0.000000 128.61950
REMARK 290 SMTRY2 81 0.000000 0.000000 1.000000 128.61950
REMARK 290 SMTRY3 81 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 82 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 82 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY3 82 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY1 83 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 83 0.000000 0.000000 -1.000000 128.61950
REMARK 290 SMTRY3 83 -1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 84 0.000000 -1.000000 0.000000 128.61950
REMARK 290 SMTRY2 84 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY3 84 1.000000 0.000000 0.000000 128.61950
REMARK 290 SMTRY1 85 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY2 85 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 85 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY1 86 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY2 86 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY3 86 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY1 87 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY2 87 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 87 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY1 88 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY2 88 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY3 88 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY1 89 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 89 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY3 89 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY1 90 -1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY2 90 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY3 90 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY1 91 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 91 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY3 91 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY1 92 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY2 92 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY3 92 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY1 93 0.000000 0.000000 1.000000 64.30975
REMARK 290 SMTRY2 93 0.000000 1.000000 0.000000 192.92925
REMARK 290 SMTRY3 93 -1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 94 0.000000 0.000000 1.000000 192.92925
REMARK 290 SMTRY2 94 0.000000 -1.000000 0.000000 64.30975
REMARK 290 SMTRY3 94 1.000000 0.000000 0.000000 192.92925
REMARK 290 SMTRY1 95 0.000000 0.000000 -1.000000 64.30975
REMARK 290 SMTRY2 95 0.000000 1.000000 0.000000 64.30975
REMARK 290 SMTRY3 95 1.000000 0.000000 0.000000 64.30975
REMARK 290 SMTRY1 96 0.000000 0.000000 -1.000000 192.92925
REMARK 290 SMTRY2 96 0.000000 -1.000000 0.000000 192.92925
REMARK 290 SMTRY3 96 -1.000000 0.000000 0.000000 64.30975
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
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 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 990 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 16150 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: 12.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 GLY A 0
REMARK 465 ALA A 1
REMARK 465 GLY A 2
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 ND2 ASN A 256 C2 NAG A 403 2.12
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 OE1 GLN A 267 OE1 GLN A 267 76555 2.08
REMARK 500
REMARK 500 REMARK: NULL
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 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASP A 23 71.25 -150.99
REMARK 500 TYR A 104 -80.02 -125.54
REMARK 500 GLU A 121 -92.54 -119.85
REMARK 500 ALA A 165 -129.09 54.58
REMARK 500 THR A 329 -52.35 -126.34
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for Mono-Saccharide NAG A 401 bound
REMARK 800 to ASN A 66
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for Mono-Saccharide NAG A 402 bound
REMARK 800 to ASN A 240
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for Mono-Saccharide NAG A 403 bound
REMARK 800 to ASN A 256
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for Mono-Saccharide NAG A 404 bound
REMARK 800 to ASN A 365
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4X90 RELATED DB: PDB
REMARK 900 RELATED ID: 4X91 RELATED DB: PDB
REMARK 900 RELATED ID: 4X93 RELATED DB: PDB
REMARK 900 RELATED ID: 4X94 RELATED DB: PDB
REMARK 900 RELATED ID: 4X95 RELATED DB: PDB
REMARK 900 RELATED ID: 4X96 RELATED DB: PDB
REMARK 900 RELATED ID: 4X97 RELATED DB: PDB
DBREF 4X92 A 1 379 UNP Q8NCC3 PAG15_HUMAN 34 412
SEQADV 4X92 GLY A 0 UNP Q8NCC3 CLONING ARTIFACT
SEQADV 4X92 ALA A 165 UNP Q8NCC3 SER 198 ENGINEERED MUTATION
SEQRES 1 A 380 GLY ALA GLY ARG HIS PRO PRO VAL VAL LEU VAL PRO GLY
SEQRES 2 A 380 ASP LEU GLY ASN GLN LEU GLU ALA LYS LEU ASP LYS PRO
SEQRES 3 A 380 THR VAL VAL HIS TYR LEU CYS SER LYS LYS THR GLU SER
SEQRES 4 A 380 TYR PHE THR ILE TRP LEU ASN LEU GLU LEU LEU LEU PRO
SEQRES 5 A 380 VAL ILE ILE ASP CYS TRP ILE ASP ASN ILE ARG LEU VAL
SEQRES 6 A 380 TYR ASN LYS THR SER ARG ALA THR GLN PHE PRO ASP GLY
SEQRES 7 A 380 VAL ASP VAL ARG VAL PRO GLY PHE GLY LYS THR PHE SER
SEQRES 8 A 380 LEU GLU PHE LEU ASP PRO SER LYS SER SER VAL GLY SER
SEQRES 9 A 380 TYR PHE HIS THR MET VAL GLU SER LEU VAL GLY TRP GLY
SEQRES 10 A 380 TYR THR ARG GLY GLU ASP VAL ARG GLY ALA PRO TYR ASP
SEQRES 11 A 380 TRP ARG ARG ALA PRO ASN GLU ASN GLY PRO TYR PHE LEU
SEQRES 12 A 380 ALA LEU ARG GLU MET ILE GLU GLU MET TYR GLN LEU TYR
SEQRES 13 A 380 GLY GLY PRO VAL VAL LEU VAL ALA HIS ALA MET GLY ASN
SEQRES 14 A 380 MET TYR THR LEU TYR PHE LEU GLN ARG GLN PRO GLN ALA
SEQRES 15 A 380 TRP LYS ASP LYS TYR ILE ARG ALA PHE VAL SER LEU GLY
SEQRES 16 A 380 ALA PRO TRP GLY GLY VAL ALA LYS THR LEU ARG VAL LEU
SEQRES 17 A 380 ALA SER GLY ASP ASN ASN ARG ILE PRO VAL ILE GLY PRO
SEQRES 18 A 380 LEU LYS ILE ARG GLU GLN GLN ARG SER ALA VAL SER THR
SEQRES 19 A 380 SER TRP LEU LEU PRO TYR ASN TYR THR TRP SER PRO GLU
SEQRES 20 A 380 LYS VAL PHE VAL GLN THR PRO THR ILE ASN TYR THR LEU
SEQRES 21 A 380 ARG ASP TYR ARG LYS PHE PHE GLN ASP ILE GLY PHE GLU
SEQRES 22 A 380 ASP GLY TRP LEU MET ARG GLN ASP THR GLU GLY LEU VAL
SEQRES 23 A 380 GLU ALA THR MET PRO PRO GLY VAL GLN LEU HIS CYS LEU
SEQRES 24 A 380 TYR GLY THR GLY VAL PRO THR PRO ASP SER PHE TYR TYR
SEQRES 25 A 380 GLU SER PHE PRO ASP ARG ASP PRO LYS ILE CYS PHE GLY
SEQRES 26 A 380 ASP GLY ASP GLY THR VAL ASN LEU LYS SER ALA LEU GLN
SEQRES 27 A 380 CYS GLN ALA TRP GLN SER ARG GLN GLU HIS GLN VAL LEU
SEQRES 28 A 380 LEU GLN GLU LEU PRO GLY SER GLU HIS ILE GLU MET LEU
SEQRES 29 A 380 ALA ASN ALA THR THR LEU ALA TYR LEU LYS ARG VAL LEU
SEQRES 30 A 380 LEU GLY PRO
HET NAG A 401 14
HET NAG A 402 14
HET NAG A 403 14
HET NAG A 404 14
HETNAM NAG N-ACETYL-D-GLUCOSAMINE
FORMUL 2 NAG 4(C8 H15 N O6)
FORMUL 6 HOH *20(H2 O)
HELIX 1 AA1 ASN A 45 LEU A 49 5 5
HELIX 2 AA2 LEU A 50 ARG A 62 1 13
HELIX 3 AA3 THR A 88 PHE A 93 1 6
HELIX 4 AA4 SER A 99 SER A 103 5 5
HELIX 5 AA5 PHE A 105 TRP A 115 1 11
HELIX 6 AA6 ALA A 133 GLU A 136 5 4
HELIX 7 AA7 ASN A 137 GLY A 156 1 20
HELIX 8 AA8 MET A 166 ARG A 177 1 12
HELIX 9 AA9 PRO A 179 TYR A 186 1 8
HELIX 10 AB1 ALA A 201 GLY A 210 1 10
HELIX 11 AB2 GLY A 219 ALA A 230 1 12
HELIX 12 AB3 ALA A 230 LEU A 236 1 7
HELIX 13 AB4 ASP A 261 GLY A 270 1 10
HELIX 14 AB5 PHE A 271 GLU A 282 1 12
HELIX 15 AB6 ASN A 331 LEU A 336 1 6
HELIX 16 AB7 GLN A 337 GLN A 342 1 6
HELIX 17 AB8 ILE A 360 ALA A 364 5 5
HELIX 18 AB9 ASN A 365 GLY A 378 1 14
SHEET 1 AA1 6 VAL A 123 GLY A 125 0
SHEET 2 AA1 6 VAL A 7 VAL A 10 1 N LEU A 9 O ARG A 124
SHEET 3 AA1 6 VAL A 159 HIS A 164 1 O VAL A 162 N VAL A 8
SHEET 4 AA1 6 ILE A 187 LEU A 193 1 O VAL A 191 N LEU A 161
SHEET 5 AA1 6 LEU A 295 THR A 301 1 O HIS A 296 N SER A 192
SHEET 6 AA1 6 VAL A 349 PRO A 355 1 O LEU A 350 N LEU A 295
SHEET 1 AA2 3 PHE A 40 TRP A 43 0
SHEET 2 AA2 3 LEU A 18 LEU A 22 -1 N ALA A 20 O PHE A 40
SHEET 3 AA2 3 VAL A 78 ARG A 81 -1 O ARG A 81 N GLU A 19
SHEET 1 AA3 2 VAL A 64 ASN A 66 0
SHEET 2 AA3 2 ALA A 71 GLN A 73 -1 O GLN A 73 N VAL A 64
SHEET 1 AA4 4 ASN A 256 THR A 258 0
SHEET 2 AA4 4 VAL A 248 GLN A 251 -1 N VAL A 250 O TYR A 257
SHEET 3 AA4 4 THR A 305 TYR A 310 1 O PHE A 309 N GLN A 251
SHEET 4 AA4 4 LYS A 320 GLY A 324 -1 O CYS A 322 N ASP A 307
SSBOND 1 CYS A 32 CYS A 56 1555 1555 2.06
LINK ND2 ASN A 66 C1 NAG A 401 1555 1555 1.46
LINK ND2 ASN A 240 C1 NAG A 402 1555 1555 1.46
LINK ND2 ASN A 256 C1 NAG A 403 1555 1555 1.43
LINK ND2 ASN A 365 C1 NAG A 404 1555 1555 1.45
CISPEP 1 TRP A 43 LEU A 44 0 -5.35
CISPEP 2 PHE A 314 PRO A 315 0 0.04
SITE 1 AC1 6 GLU A 19 THR A 41 ASN A 66 GLN A 73
SITE 2 AC1 6 PRO A 83 HOH A 501
SITE 1 AC2 2 ASN A 240 GLU A 282
SITE 1 AC3 3 GLN A 251 ASN A 256 HOH A 510
SITE 1 AC4 5 LYS A 320 PRO A 355 SER A 357 ASN A 365
SITE 2 AC4 5 THR A 367
CRYST1 257.239 257.239 257.239 90.00 90.00 90.00 F 41 3 2 96
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.003887 0.000000 0.000000 0.00000
SCALE2 0.000000 0.003887 0.000000 0.00000
SCALE3 0.000000 0.000000 0.003887 0.00000
TER 3033 PRO A 379
MASTER 716 0 4 18 15 0 6 6 3105 1 62 30
END |