HEADER VIRUS 21-FEB-04 1VB2
TITLE T=1 CAPSID STRUCTURE OF SESBANIA MOSAIC VIRUS COAT PROTEIN DELETION
TITLE 2 MUTANT CP-N(DELTA)65-D146N-D149N
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COAT PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 66-268;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SESBANIA MOSAIC VIRUS;
SOURCE 3 ORGANISM_TAXID: 12558;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PRSET C
KEYWDS T=1 CAPSIDS, CALCIUM MUTANT, ICOSAHEDRAL VIRUS, VIRUS
EXPDTA X-RAY DIFFRACTION
AUTHOR V.SANGITA,G.L.LOKESH,P.S.SATHESHKUMAR,C.S.VIJAY,V.SARAVANAN,
AUTHOR 2 H.S.SAVITHRI,M.R.MURTHY
REVDAT 4 27-DEC-23 1VB2 1 REMARK
REVDAT 3 10-NOV-21 1VB2 1 SEQADV
REVDAT 2 24-FEB-09 1VB2 1 VERSN
REVDAT 1 23-NOV-04 1VB2 0
JRNL AUTH V.SANGITA,G.L.LOKESH,P.S.SATHESHKUMAR,C.S.VIJAY,V.SARAVANAN,
JRNL AUTH 2 H.S.SAVITHRI,M.R.MURTHY
JRNL TITL T=1 CAPSID STRUCTURES OF SESBANIA MOSAIC VIRUS COAT PROTEIN
JRNL TITL 2 MUTANTS: DETERMINANTS OF T=3 AND T=1 CAPSID ASSEMBLY
JRNL REF J.MOL.BIOL. V. 342 987 2004
JRNL REFN ISSN 0022-2836
JRNL PMID 15342251
JRNL DOI 10.1016/J.JMB.2004.07.003
REMARK 2
REMARK 2 RESOLUTION. 3.40 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 : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.40
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.96
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 248573.740
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 91.3
REMARK 3 NUMBER OF REFLECTIONS : 232314
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) : 0.261
REMARK 3 FREE R VALUE : 0.261
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 11552
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.002
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.40
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.61
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 85.60
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 34489
REMARK 3 BIN R VALUE (WORKING SET) : 0.3500
REMARK 3 BIN FREE R VALUE : 0.3550
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 1846
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.008
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1398
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 29
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.60
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : 3.85000
REMARK 3 B22 (A**2) : -1.49000
REMARK 3 B33 (A**2) : -2.37000
REMARK 3 B12 (A**2) : -3.59000
REMARK 3 B13 (A**2) : -9.52000
REMARK 3 B23 (A**2) : 1.83000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.49
REMARK 3 ESD FROM SIGMAA (A) : 0.70
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) : 0.49
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.73
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.008
REMARK 3 BOND ANGLES (DEGREES) : 1.400
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.40
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.120
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) : 1.510 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.760 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 1.690 ; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.840 ; 2.500
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.23
REMARK 3 BSOL : 10.00
REMARK 3
REMARK 3 NCS MODEL : CONSTR
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 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : WATER.TOP
REMARK 3 TOPOLOGY FILE 3 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VB2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 25-FEB-04.
REMARK 100 THE DEPOSITION ID IS D_1000006420.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 20-JAN-03
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 7.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : OSMIC MIRRORS
REMARK 200 OPTICS : MIRRORS
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 266680
REMARK 200 RESOLUTION RANGE HIGH (A) : 3.300
REMARK 200 RESOLUTION RANGE LOW (A) : 16.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 94.5
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : 0.10700
REMARK 200 R SYM (I) : 0.09100
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 6.7000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.30
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.42
REMARK 200 COMPLETENESS FOR SHELL (%) : 94.1
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.32900
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> 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: GLRF
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): NULL
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, MAGNESIUM CHLORIDE,
REMARK 280 ISOPROPANOL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE
REMARK 280 290K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,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
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 300 THE ASSEMBLY REPRESENTED IN THIS ENTRY HAS REGULAR
REMARK 300 ICOSAHEDRAL POINT SYMMETRY (SCHOENFLIES SYMBOL = I).
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 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 350 BIOMT1 2 0.465927 -0.504959 0.726587 0.00000
REMARK 350 BIOMT2 2 0.846125 0.494465 -0.198941 0.00000
REMARK 350 BIOMT3 2 -0.258815 0.707475 0.657642 0.00000
REMARK 350 BIOMT1 3 -0.398222 0.029084 0.916828 0.00000
REMARK 350 BIOMT2 3 0.864100 -0.323508 0.385583 0.00000
REMARK 350 BIOMT3 3 0.307816 0.945778 0.103696 0.00000
REMARK 350 BIOMT1 4 -0.398222 0.864100 0.307816 0.00000
REMARK 350 BIOMT2 4 0.029084 -0.323508 0.945778 0.00000
REMARK 350 BIOMT3 4 0.916828 0.385583 0.103696 0.00000
REMARK 350 BIOMT1 5 0.465927 0.846125 -0.258815 0.00000
REMARK 350 BIOMT2 5 -0.504959 0.494465 0.707475 0.00000
REMARK 350 BIOMT3 5 0.726587 -0.198941 0.657642 0.00000
REMARK 350 BIOMT1 6 -0.395524 -0.009823 0.918403 0.00000
REMARK 350 BIOMT2 6 -0.009823 -0.999840 -0.014924 0.00000
REMARK 350 BIOMT3 6 0.918403 -0.014924 0.395364 0.00000
REMARK 350 BIOMT1 7 -0.430293 0.844614 0.318553 0.00000
REMARK 350 BIOMT2 7 -0.846704 -0.499984 0.181957 0.00000
REMARK 350 BIOMT3 7 0.312955 -0.191425 0.930277 0.00000
REMARK 350 BIOMT1 8 0.431717 0.860280 -0.271180 0.00000
REMARK 350 BIOMT2 8 -0.864644 0.309056 -0.396074 0.00000
REMARK 350 BIOMT3 8 -0.256925 0.405466 0.877261 0.00000
REMARK 350 BIOMT1 9 0.999238 0.015526 -0.035804 0.00000
REMARK 350 BIOMT2 9 -0.038851 0.309214 -0.950199 0.00000
REMARK 350 BIOMT3 9 -0.003682 0.950866 0.309582 0.00000
REMARK 350 BIOMT1 10 0.487975 -0.522227 0.699399 0.00000
REMARK 350 BIOMT2 10 0.489458 -0.499728 -0.714635 0.00000
REMARK 350 BIOMT3 10 0.722711 0.691050 0.011753 0.00000
REMARK 350 BIOMT1 11 -0.999430 0.033760 -0.000014 0.00000
REMARK 350 BIOMT2 11 0.033760 0.999430 -0.000835 0.00000
REMARK 350 BIOMT3 11 -0.000014 -0.000835 -1.000000 0.00000
REMARK 350 BIOMT1 12 -0.437092 0.521354 -0.732899 0.00000
REMARK 350 BIOMT2 12 0.861588 0.476545 -0.174847 0.00000
REMARK 350 BIOMT3 12 0.258102 -0.707881 -0.657486 0.00000
REMARK 350 BIOMT1 13 0.427163 -0.040003 -0.903289 0.00000
REMARK 350 BIOMT2 13 0.849906 -0.323132 0.416228 0.00000
REMARK 350 BIOMT3 13 -0.308532 -0.945508 -0.104031 0.00000
REMARK 350 BIOMT1 14 0.398964 -0.874534 -0.275712 0.00000
REMARK 350 BIOMT2 14 0.014858 -0.294474 0.955544 0.00000
REMARK 350 BIOMT3 14 -0.916846 -0.385324 -0.104491 0.00000
REMARK 350 BIOMT1 15 -0.482719 -0.828947 0.282543 0.00000
REMARK 350 BIOMT2 15 -0.489548 0.522914 0.697785 0.00000
REMARK 350 BIOMT3 15 -0.726172 0.198516 -0.658229 0.00000
REMARK 350 BIOMT1 16 0.394954 -0.023937 -0.918389 0.00000
REMARK 350 BIOMT2 16 -0.023937 -0.999589 0.015759 0.00000
REMARK 350 BIOMT3 16 -0.918389 0.015759 -0.395364 0.00000
REMARK 350 BIOMT1 17 0.401459 -0.861009 -0.312241 0.00000
REMARK 350 BIOMT2 17 -0.861009 -0.471025 0.191830 0.00000
REMARK 350 BIOMT3 17 -0.312241 0.191830 -0.930433 0.00000
REMARK 350 BIOMT1 18 -0.460658 -0.849362 0.257641 0.00000
REMARK 350 BIOMT2 18 -0.849362 0.337584 -0.405736 0.00000
REMARK 350 BIOMT3 18 0.257641 -0.405736 -0.876926 0.00000
REMARK 350 BIOMT1 19 -0.999980 -0.005092 0.003700 0.00000
REMARK 350 BIOMT2 19 -0.005092 0.308768 -0.951124 0.00000
REMARK 350 BIOMT3 19 0.003700 -0.951124 -0.308788 0.00000
REMARK 350 BIOMT1 20 -0.471183 0.505049 -0.723127 0.00000
REMARK 350 BIOMT2 20 0.505049 -0.517651 -0.690625 0.00000
REMARK 350 BIOMT3 20 -0.723127 -0.690625 -0.011166 0.00000
REMARK 350 BIOMT1 21 0.482515 0.541981 0.688067 0.00000
REMARK 350 BIOMT2 21 0.827002 -0.023133 -0.561722 0.00000
REMARK 350 BIOMT3 21 -0.288525 0.840073 -0.459381 0.00000
REMARK 350 BIOMT1 22 0.505317 0.511131 0.695269 0.00000
REMARK 350 BIOMT2 22 0.511131 -0.826445 0.236079 0.00000
REMARK 350 BIOMT3 22 0.695269 0.236079 -0.678872 0.00000
REMARK 350 BIOMT1 23 0.487975 0.489458 0.722711 0.00000
REMARK 350 BIOMT2 23 -0.522227 -0.499728 0.691050 0.00000
REMARK 350 BIOMT3 23 0.699399 -0.714635 0.011753 0.00000
REMARK 350 BIOMT1 24 0.454454 0.506913 0.732469 0.00000
REMARK 350 BIOMT2 24 -0.845006 0.505506 0.174437 0.00000
REMARK 350 BIOMT3 24 -0.281843 -0.698214 0.658074 0.00000
REMARK 350 BIOMT1 25 0.451080 0.539373 0.711058 0.00000
REMARK 350 BIOMT2 25 -0.011137 0.800058 -0.599819 0.00000
REMARK 350 BIOMT3 25 -0.892414 0.262648 0.366897 0.00000
REMARK 350 BIOMT1 26 0.435754 -0.556903 0.707092 0.00000
REMARK 350 BIOMT2 26 -0.842759 0.023389 0.537782 0.00000
REMARK 350 BIOMT3 26 -0.316031 -0.830248 -0.459143 0.00000
REMARK 350 BIOMT1 27 -0.451186 0.004843 0.892417 0.00000
REMARK 350 BIOMT2 27 -0.512060 0.817591 -0.263323 0.00000
REMARK 350 BIOMT3 27 -0.730908 -0.575779 -0.366406 0.00000
REMARK 350 BIOMT1 28 -0.437092 0.861588 0.258102 0.00000
REMARK 350 BIOMT2 28 0.521354 0.476545 -0.707881 0.00000
REMARK 350 BIOMT3 28 -0.732899 -0.174847 -0.657486 0.00000
REMARK 350 BIOMT1 29 0.458557 0.829339 -0.319252 0.00000
REMARK 350 BIOMT2 29 0.829339 -0.528436 -0.181527 0.00000
REMARK 350 BIOMT3 29 -0.319252 -0.181527 -0.930122 0.00000
REMARK 350 BIOMT1 30 0.998006 -0.047336 -0.041761 0.00000
REMARK 350 BIOMT2 30 -0.013729 -0.808501 0.588334 0.00000
REMARK 350 BIOMT3 30 -0.061613 -0.586588 -0.807539 0.00000
REMARK 350 BIOMT1 31 -0.463952 0.557386 -0.688527 0.00000
REMARK 350 BIOMT2 31 -0.827304 0.005268 0.561730 0.00000
REMARK 350 BIOMT3 31 0.316728 0.830236 0.458684 0.00000
REMARK 350 BIOMT1 32 0.433652 0.022769 -0.900793 0.00000
REMARK 350 BIOMT2 32 -0.526389 0.817769 -0.232739 0.00000
REMARK 350 BIOMT3 32 0.731341 0.575095 0.366613 0.00000
REMARK 350 BIOMT1 33 0.454454 -0.845006 -0.281843 0.00000
REMARK 350 BIOMT2 33 0.506913 0.505506 -0.698214 0.00000
REMARK 350 BIOMT3 33 0.732469 0.174437 0.658074 0.00000
REMARK 350 BIOMT1 34 -0.430293 -0.846704 0.312955 0.00000
REMARK 350 BIOMT2 34 0.844614 -0.499984 -0.191425 0.00000
REMARK 350 BIOMT3 34 0.318553 0.181957 0.930277 0.00000
REMARK 350 BIOMT1 35 -0.997899 0.020022 0.061611 0.00000
REMARK 350 BIOMT2 35 0.020022 -0.809148 0.587263 0.00000
REMARK 350 BIOMT3 35 0.061611 0.587263 0.807048 0.00000
REMARK 350 BIOMT1 36 -0.454316 -0.542464 -0.706632 0.00000
REMARK 350 BIOMT2 36 0.843061 -0.005524 -0.537789 0.00000
REMARK 350 BIOMT3 36 0.287828 -0.840061 0.459841 0.00000
REMARK 350 BIOMT1 37 -0.487783 -0.538744 -0.686894 0.00000
REMARK 350 BIOMT2 37 0.527318 -0.808915 0.259983 0.00000
REMARK 350 BIOMT3 37 -0.695703 -0.235396 0.678665 0.00000
REMARK 350 BIOMT1 38 -0.505337 -0.506039 -0.698970 0.00000
REMARK 350 BIOMT2 38 -0.506039 -0.482322 0.715045 0.00000
REMARK 350 BIOMT3 38 -0.698970 0.715045 -0.012340 0.00000
REMARK 350 BIOMT1 39 -0.482719 -0.489548 -0.726172 0.00000
REMARK 350 BIOMT2 39 -0.828947 0.522914 0.198516 0.00000
REMARK 350 BIOMT3 39 0.282543 0.697785 -0.658229 0.00000
REMARK 350 BIOMT1 40 -0.451186 -0.512060 -0.730908 0.00000
REMARK 350 BIOMT2 40 0.004843 0.817591 -0.575779 0.00000
REMARK 350 BIOMT3 40 0.892417 -0.263323 -0.366406 0.00000
REMARK 350 BIOMT1 41 0.482515 0.827002 -0.288525 0.00000
REMARK 350 BIOMT2 41 0.541981 -0.023133 0.840073 0.00000
REMARK 350 BIOMT3 41 0.688067 -0.561722 -0.459381 0.00000
REMARK 350 BIOMT1 42 0.999238 -0.038851 -0.003682 0.00000
REMARK 350 BIOMT2 42 0.015526 0.309214 0.950866 0.00000
REMARK 350 BIOMT3 42 -0.035804 -0.950199 0.309582 0.00000
REMARK 350 BIOMT1 43 0.433652 -0.526389 0.731341 0.00000
REMARK 350 BIOMT2 43 0.022769 0.817769 0.575095 0.00000
REMARK 350 BIOMT3 43 -0.900793 -0.232739 0.366613 0.00000
REMARK 350 BIOMT1 44 -0.432623 0.038149 0.900767 0.00000
REMARK 350 BIOMT2 44 0.553700 0.799726 0.232064 0.00000
REMARK 350 BIOMT3 44 -0.711515 0.599151 -0.367103 0.00000
REMARK 350 BIOMT1 45 -0.402425 0.874591 0.270455 0.00000
REMARK 350 BIOMT2 45 0.874591 0.280020 0.395828 0.00000
REMARK 350 BIOMT3 45 0.270455 0.395828 -0.877596 0.00000
REMARK 350 BIOMT1 46 -0.463952 -0.827304 0.316728 0.00000
REMARK 350 BIOMT2 46 0.557386 0.005268 0.830236 0.00000
REMARK 350 BIOMT3 46 -0.688527 0.561730 0.458684 0.00000
REMARK 350 BIOMT1 47 -0.998144 0.049281 0.035776 0.00000
REMARK 350 BIOMT2 47 0.049281 0.308520 0.949941 0.00000
REMARK 350 BIOMT3 47 0.035776 0.949941 -0.310376 0.00000
REMARK 350 BIOMT1 48 -0.432623 0.553700 -0.711515 0.00000
REMARK 350 BIOMT2 48 0.038149 0.799726 0.599151 0.00000
REMARK 350 BIOMT3 48 0.900767 0.232064 -0.367103 0.00000
REMARK 350 BIOMT1 49 0.451080 -0.011137 -0.892414 0.00000
REMARK 350 BIOMT2 49 0.539373 0.800058 0.262648 0.00000
REMARK 350 BIOMT3 49 0.711058 -0.599819 0.366897 0.00000
REMARK 350 BIOMT1 50 0.431717 -0.864644 -0.256925 0.00000
REMARK 350 BIOMT2 50 0.860280 0.309056 0.405466 0.00000
REMARK 350 BIOMT3 50 -0.271180 -0.396074 0.877261 0.00000
REMARK 350 BIOMT1 51 -0.454316 0.843061 0.287828 0.00000
REMARK 350 BIOMT2 51 -0.542464 -0.005524 -0.840061 0.00000
REMARK 350 BIOMT3 51 -0.706632 -0.537789 0.459841 0.00000
REMARK 350 BIOMT1 52 0.427163 0.849906 -0.308532 0.00000
REMARK 350 BIOMT2 52 -0.040003 -0.323132 -0.945508 0.00000
REMARK 350 BIOMT3 52 -0.903289 0.416228 -0.104031 0.00000
REMARK 350 BIOMT1 53 0.998006 -0.013729 -0.061613 0.00000
REMARK 350 BIOMT2 53 -0.047336 -0.808501 -0.586588 0.00000
REMARK 350 BIOMT3 53 -0.041761 0.588334 -0.807539 0.00000
REMARK 350 BIOMT1 54 0.469327 -0.554330 0.687350 0.00000
REMARK 350 BIOMT2 54 -0.554330 -0.790869 -0.259315 0.00000
REMARK 350 BIOMT3 54 0.687350 -0.259315 -0.678458 0.00000
REMARK 350 BIOMT1 55 -0.428257 -0.024805 0.903316 0.00000
REMARK 350 BIOMT2 55 -0.860336 -0.294602 -0.415970 0.00000
REMARK 350 BIOMT3 55 0.276437 -0.955298 0.104825 0.00000
REMARK 350 BIOMT1 56 0.435754 -0.842759 -0.316031 0.00000
REMARK 350 BIOMT2 56 -0.556903 0.023389 -0.830248 0.00000
REMARK 350 BIOMT3 56 0.707092 0.537782 -0.459143 0.00000
REMARK 350 BIOMT1 57 -0.428257 -0.860336 0.276437 0.00000
REMARK 350 BIOMT2 57 -0.024805 -0.294602 -0.955298 0.00000
REMARK 350 BIOMT3 57 0.903316 -0.415970 0.104825 0.00000
REMARK 350 BIOMT1 58 -0.999034 -0.013582 0.041786 0.00000
REMARK 350 BIOMT2 58 -0.013582 -0.808995 -0.587659 0.00000
REMARK 350 BIOMT3 58 0.041786 -0.587659 0.808029 0.00000
REMARK 350 BIOMT1 59 -0.487783 0.527318 -0.695703 0.00000
REMARK 350 BIOMT2 59 -0.538744 -0.808915 -0.235396 0.00000
REMARK 350 BIOMT3 59 -0.686894 0.259983 0.678665 0.00000
REMARK 350 BIOMT1 60 0.398964 0.014858 -0.916846 0.00000
REMARK 350 BIOMT2 60 -0.874534 -0.294474 -0.385324 0.00000
REMARK 350 BIOMT3 60 -0.275712 0.955544 -0.104491 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 ALA A 66
REMARK 465 VAL A 67
REMARK 465 SER A 68
REMARK 465 SER A 69
REMARK 465 SER A 70
REMARK 465 ARG A 71
REMARK 465 GLY A 72
REMARK 465 LEU A 266
REMARK 465 ASN A 267
REMARK 465 ASN A 268
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 SER A 91 OG
REMARK 470 SER A 116 OG
REMARK 470 SER A 133 OG
REMARK 470 SER A 134 OG
REMARK 470 THR A 150 OG1 CG2
REMARK 470 ARG A 183 CG CD NE CZ NH1 NH2
REMARK 470 SER A 185 OG
REMARK 470 SER A 192 OG
REMARK 470 ASP A 196 CB CG OD1 OD2
REMARK 470 ALA A 211 CB
REMARK 470 ALA A 214 CB
REMARK 470 VAL A 217 CG1 CG2
REMARK 470 ASP A 220 CB CG OD1 OD2
REMARK 470 VAL A 221 CG1 CG2
REMARK 470 THR A 225 CB OG1 CG2
REMARK 470 SER A 241 CB OG
REMARK 470 SER A 242 OG
REMARK 470 THR A 262 OG1 CG2
REMARK 470 SER A 264 CB OG
REMARK 470 ALA A 265 CB
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 ALA A 84 147.58 -173.77
REMARK 500 VAL A 99 66.04 -104.47
REMARK 500 ASN A 114 1.02 -68.97
REMARK 500 SER A 122 132.08 -170.78
REMARK 500 CYS A 131 -169.60 -105.19
REMARK 500 MET A 147 -12.72 -49.49
REMARK 500 PRO A 152 156.06 -45.30
REMARK 500 CYS A 177 -4.94 -55.26
REMARK 500 THR A 182 -155.88 -136.89
REMARK 500 SER A 185 -94.53 -96.62
REMARK 500 ILE A 191 67.74 -105.67
REMARK 500 VAL A 197 -48.51 46.58
REMARK 500 LYS A 202 -167.54 -122.92
REMARK 500 VAL A 219 -81.23 -136.48
REMARK 500 THR A 225 -31.64 -36.97
REMARK 500 ALA A 244 138.13 -31.07
REMARK 500 ALA A 246 107.53 -57.56
REMARK 500 GLU A 260 84.77 51.01
REMARK 500 SER A 264 -108.14 -27.50
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1SMV RELATED DB: PDB
REMARK 900 STRUCTURE OF THE NATIVE VIRUS
REMARK 900 RELATED ID: 1VB4 RELATED DB: PDB
REMARK 900 36 AMINO ACIDS DELETION FROM THE AMINO TERMINUS
DBREF 1VB2 A 66 268 UNP Q9EB06 Q9EB06_9VIRU 66 268
SEQADV 1VB2 ASN A 146 UNP Q9EB06 ASP 146 ENGINEERED MUTATION
SEQADV 1VB2 ASN A 149 UNP Q9EB06 ASP 149 ENGINEERED MUTATION
SEQRES 1 A 203 ALA VAL SER SER SER ARG GLY GLY ILE THR VAL LEU THR
SEQRES 2 A 203 HIS SER GLU LEU SER ALA GLU ILE GLY VAL THR ASP SER
SEQRES 3 A 203 ILE VAL VAL SER SER GLU LEU VAL MET PRO TYR THR VAL
SEQRES 4 A 203 GLY THR TRP LEU ARG GLY VAL ALA ALA ASN TRP SER LYS
SEQRES 5 A 203 TYR SER TRP LEU SER VAL ARG TYR THR TYR ILE PRO SER
SEQRES 6 A 203 CYS PRO SER SER THR ALA GLY SER ILE HIS MET GLY PHE
SEQRES 7 A 203 GLN TYR ASN MET ALA ASN THR VAL PRO VAL SER VAL ASN
SEQRES 8 A 203 GLN LEU SER ASN LEU ARG GLY TYR VAL SER GLY GLN VAL
SEQRES 9 A 203 TRP SER GLY SER ALA GLY LEU CYS PHE ILE ASN GLY THR
SEQRES 10 A 203 ARG CYS SER ASP THR SER THR ALA ILE SER THR THR LEU
SEQRES 11 A 203 ASP VAL SER LYS LEU GLY LYS LYS TRP TYR PRO TYR LYS
SEQRES 12 A 203 THR SER ALA ASP TYR ALA THR ALA VAL GLY VAL ASP VAL
SEQRES 13 A 203 ASN ILE ALA THR PRO LEU VAL PRO ALA ARG LEU VAL ILE
SEQRES 14 A 203 ALA LEU LEU ASP GLY SER SER SER THR ALA VAL ALA ALA
SEQRES 15 A 203 GLY ARG ILE TYR CYS THR TYR THR ILE GLN MET ILE GLU
SEQRES 16 A 203 PRO THR ALA SER ALA LEU ASN ASN
FORMUL 2 HOH *29(H2 O)
HELIX 1 1 MET A 100 GLY A 105 1 6
HELIX 2 2 GLY A 105 ASN A 114 1 10
HELIX 3 3 SER A 154 SER A 159 1 6
HELIX 4 4 GLY A 172 ALA A 174 5 3
HELIX 5 5 GLY A 175 GLY A 181 1 7
HELIX 6 6 THR A 209 GLY A 218 1 10
HELIX 7 7 ASP A 220 THR A 225 1 6
SHEET 1 A 4 THR A 75 VAL A 88 0
SHEET 2 A 4 VAL A 245 PRO A 261 -1 O ILE A 256 N LEU A 77
SHEET 3 A 4 TRP A 115 PRO A 129 -1 N ARG A 124 O THR A 253
SHEET 4 A 4 ILE A 191 THR A 194 -1 O ILE A 191 N TYR A 127
SHEET 1 B 4 THR A 75 VAL A 88 0
SHEET 2 B 4 VAL A 245 PRO A 261 -1 O ILE A 256 N LEU A 77
SHEET 3 B 4 TRP A 115 PRO A 129 -1 N ARG A 124 O THR A 253
SHEET 4 B 4 TYR A 205 PRO A 206 -1 O TYR A 205 N TYR A 118
SHEET 1 C 4 VAL A 93 LEU A 98 0
SHEET 2 C 4 ARG A 231 LEU A 237 -1 O ILE A 234 N SER A 95
SHEET 3 C 4 SER A 138 GLN A 144 -1 N GLY A 142 O VAL A 233
SHEET 4 C 4 ARG A 162 GLN A 168 -1 O GLY A 167 N ILE A 139
SSBOND 1 CYS A 177 CYS A 184 1555 1555 2.97
CRYST1 188.484 187.569 188.826 119.76 61.82 88.96 P 1 60
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 0.005305 -0.000096 -0.003535 0.00000
SCALE2 0.000000 0.005332 0.003727 0.00000
SCALE3 0.000000 0.000000 0.007330 0.00000
MTRIX1 1 1.000000 0.000000 0.000000 0.00000 1
MTRIX2 1 0.000000 1.000000 0.000000 0.00000 1
MTRIX3 1 0.000000 0.000000 1.000000 0.00000 1
MTRIX1 2 0.465927 -0.504959 0.726587 0.00000
MTRIX2 2 0.846125 0.494465 -0.198941 0.00000
MTRIX3 2 -0.258815 0.707475 0.657642 0.00000
MTRIX1 3 -0.398222 0.029084 0.916828 0.00000
MTRIX2 3 0.864100 -0.323508 0.385583 0.00000
MTRIX3 3 0.307816 0.945778 0.103696 0.00000
MTRIX1 4 -0.398222 0.864100 0.307816 0.00000
MTRIX2 4 0.029084 -0.323508 0.945778 0.00000
MTRIX3 4 0.916828 0.385583 0.103696 0.00000
MTRIX1 5 0.465927 0.846125 -0.258815 0.00000
MTRIX2 5 -0.504959 0.494465 0.707475 0.00000
MTRIX3 5 0.726587 -0.198941 0.657642 0.00000
MTRIX1 6 -0.395524 -0.009823 0.918403 0.00000
MTRIX2 6 -0.009823 -0.999840 -0.014924 0.00000
MTRIX3 6 0.918403 -0.014924 0.395364 0.00000
MTRIX1 7 -0.430293 0.844614 0.318553 0.00000
MTRIX2 7 -0.846704 -0.499984 0.181957 0.00000
MTRIX3 7 0.312955 -0.191425 0.930277 0.00000
MTRIX1 8 0.431717 0.860280 -0.271180 0.00000
MTRIX2 8 -0.864644 0.309056 -0.396074 0.00000
MTRIX3 8 -0.256925 0.405466 0.877261 0.00000
MTRIX1 9 0.999238 0.015526 -0.035804 0.00000
MTRIX2 9 -0.038851 0.309214 -0.950199 0.00000
MTRIX3 9 -0.003682 0.950866 0.309582 0.00000
MTRIX1 10 0.487975 -0.522227 0.699399 0.00000
MTRIX2 10 0.489458 -0.499728 -0.714635 0.00000
MTRIX3 10 0.722711 0.691050 0.011753 0.00000
MTRIX1 11 -0.999430 0.033760 -0.000014 0.00000
MTRIX2 11 0.033760 0.999430 -0.000835 0.00000
MTRIX3 11 -0.000014 -0.000835 -1.000000 0.00000
MTRIX1 12 -0.437092 0.521354 -0.732899 0.00000
MTRIX2 12 0.861588 0.476545 -0.174847 0.00000
MTRIX3 12 0.258102 -0.707881 -0.657486 0.00000
MTRIX1 13 0.427163 -0.040003 -0.903289 0.00000
MTRIX2 13 0.849906 -0.323132 0.416228 0.00000
MTRIX3 13 -0.308531 -0.945508 -0.104031 0.00000
MTRIX1 14 0.398964 -0.874534 -0.275712 0.00000
MTRIX2 14 0.014858 -0.294474 0.955544 0.00000
MTRIX3 14 -0.916846 -0.385324 -0.104491 0.00000
MTRIX1 15 -0.482719 -0.828947 0.282543 0.00000
MTRIX2 15 -0.489548 0.522914 0.697785 0.00000
MTRIX3 15 -0.726172 0.198516 -0.658229 0.00000
MTRIX1 16 0.394954 -0.023937 -0.918389 0.00000
MTRIX2 16 -0.023937 -0.999589 0.015759 0.00000
MTRIX3 16 -0.918389 0.015759 -0.395364 0.00000
MTRIX1 17 0.401459 -0.861009 -0.312241 0.00000
MTRIX2 17 -0.861009 -0.471025 0.191831 0.00000
MTRIX3 17 -0.312241 0.191831 -0.930433 0.00000
MTRIX1 18 -0.460658 -0.849362 0.257641 0.00000
MTRIX2 18 -0.849362 0.337584 -0.405736 0.00000
MTRIX3 18 0.257641 -0.405736 -0.876926 0.00000
MTRIX1 19 -0.999980 -0.005092 0.003700 0.00000
MTRIX2 19 -0.005092 0.308768 -0.951124 0.00000
MTRIX3 19 0.003700 -0.951124 -0.308788 0.00000
MTRIX1 20 -0.471183 0.505049 -0.723127 0.00000
MTRIX2 20 0.505049 -0.517651 -0.690625 0.00000
MTRIX3 20 -0.723127 -0.690625 -0.011166 0.00000
MTRIX1 21 0.482515 0.541981 0.688067 0.00000
MTRIX2 21 0.827002 -0.023133 -0.561722 0.00000
MTRIX3 21 -0.288525 0.840073 -0.459381 0.00000
MTRIX1 22 0.505317 0.511131 0.695269 0.00000
MTRIX2 22 0.511131 -0.826445 0.236079 0.00000
MTRIX3 22 0.695269 0.236079 -0.678872 0.00000
MTRIX1 23 0.487975 0.489458 0.722711 0.00000
MTRIX2 23 -0.522227 -0.499728 0.691050 0.00000
MTRIX3 23 0.699399 -0.714635 0.011753 0.00000
MTRIX1 24 0.454454 0.506913 0.732469 0.00000
MTRIX2 24 -0.845006 0.505506 0.174437 0.00000
MTRIX3 24 -0.281843 -0.698214 0.658074 0.00000
MTRIX1 25 0.451080 0.539373 0.711058 0.00000
MTRIX2 25 -0.011137 0.800058 -0.599819 0.00000
MTRIX3 25 -0.892414 0.262648 0.366897 0.00000
MTRIX1 26 0.435754 -0.556903 0.707092 0.00000
MTRIX2 26 -0.842759 0.023389 0.537782 0.00000
MTRIX3 26 -0.316031 -0.830248 -0.459143 0.00000
MTRIX1 27 -0.451186 0.004843 0.892417 0.00000
MTRIX2 27 -0.512060 0.817591 -0.263323 0.00000
MTRIX3 27 -0.730908 -0.575779 -0.366406 0.00000
MTRIX1 28 -0.437092 0.861588 0.258102 0.00000
MTRIX2 28 0.521354 0.476545 -0.707881 0.00000
MTRIX3 28 -0.732899 -0.174847 -0.657486 0.00000
MTRIX1 29 0.458557 0.829339 -0.319252 0.00000
MTRIX2 29 0.829339 -0.528436 -0.181527 0.00000
MTRIX3 29 -0.319252 -0.181527 -0.930122 0.00000
MTRIX1 30 0.998006 -0.047336 -0.041761 0.00000
MTRIX2 30 -0.013729 -0.808501 0.588335 0.00000
MTRIX3 30 -0.061613 -0.586588 -0.807539 0.00000
MTRIX1 31 -0.463952 0.557386 -0.688527 0.00000
MTRIX2 31 -0.827304 0.005268 0.561730 0.00000
MTRIX3 31 0.316728 0.830236 0.458684 0.00000
MTRIX1 32 0.433652 0.022769 -0.900793 0.00000
MTRIX2 32 -0.526389 0.817769 -0.232739 0.00000
MTRIX3 32 0.731341 0.575095 0.366613 0.00000
MTRIX1 33 0.454454 -0.845006 -0.281843 0.00000
MTRIX2 33 0.506913 0.505506 -0.698214 0.00000
MTRIX3 33 0.732469 0.174437 0.658074 0.00000
MTRIX1 34 -0.430293 -0.846704 0.312955 0.00000
MTRIX2 34 0.844614 -0.499984 -0.191425 0.00000
MTRIX3 34 0.318553 0.181957 0.930277 0.00000
MTRIX1 35 -0.997899 0.020023 0.061611 0.00000
MTRIX2 35 0.020023 -0.809148 0.587263 0.00000
MTRIX3 35 0.061611 0.587263 0.807048 0.00000
MTRIX1 36 -0.454316 -0.542464 -0.706632 0.00000
MTRIX2 36 0.843061 -0.005524 -0.537789 0.00000
MTRIX3 36 0.287828 -0.840061 0.459841 0.00000
MTRIX1 37 -0.487783 -0.538744 -0.686894 0.00000
MTRIX2 37 0.527318 -0.808915 0.259983 0.00000
MTRIX3 37 -0.695703 -0.235396 0.678665 0.00000
MTRIX1 38 -0.505337 -0.506039 -0.698970 0.00000
MTRIX2 38 -0.506039 -0.482322 0.715045 0.00000
MTRIX3 38 -0.698970 0.715045 -0.012340 0.00000
MTRIX1 39 -0.482719 -0.489548 -0.726172 0.00000
MTRIX2 39 -0.828947 0.522914 0.198516 0.00000
MTRIX3 39 0.282543 0.697785 -0.658229 0.00000
MTRIX1 40 -0.451186 -0.512060 -0.730908 0.00000
MTRIX2 40 0.004843 0.817591 -0.575779 0.00000
MTRIX3 40 0.892417 -0.263323 -0.366406 0.00000
MTRIX1 41 0.482515 0.827002 -0.288525 0.00000
MTRIX2 41 0.541981 -0.023133 0.840073 0.00000
MTRIX3 41 0.688067 -0.561722 -0.459381 0.00000
MTRIX1 42 0.999238 -0.038851 -0.003682 0.00000
MTRIX2 42 0.015526 0.309214 0.950866 0.00000
MTRIX3 42 -0.035804 -0.950199 0.309582 0.00000
MTRIX1 43 0.433652 -0.526389 0.731341 0.00000
MTRIX2 43 0.022769 0.817769 0.575095 0.00000
MTRIX3 43 -0.900793 -0.232739 0.366613 0.00000
MTRIX1 44 -0.432623 0.038149 0.900767 0.00000
MTRIX2 44 0.553700 0.799726 0.232064 0.00000
MTRIX3 44 -0.711515 0.599151 -0.367103 0.00000
MTRIX1 45 -0.402424 0.874591 0.270455 0.00000
MTRIX2 45 0.874591 0.280020 0.395828 0.00000
MTRIX3 45 0.270455 0.395828 -0.877596 0.00000
MTRIX1 46 -0.463952 -0.827304 0.316728 0.00000
MTRIX2 46 0.557386 0.005268 0.830236 0.00000
MTRIX3 46 -0.688527 0.561730 0.458684 0.00000
MTRIX1 47 -0.998144 0.049281 0.035776 0.00000
MTRIX2 47 0.049281 0.308520 0.949941 0.00000
MTRIX3 47 0.035776 0.949941 -0.310376 0.00000
MTRIX1 48 -0.432623 0.553700 -0.711515 0.00000
MTRIX2 48 0.038149 0.799726 0.599151 0.00000
MTRIX3 48 0.900767 0.232064 -0.367103 0.00000
MTRIX1 49 0.451080 -0.011137 -0.892414 0.00000
MTRIX2 49 0.539373 0.800058 0.262648 0.00000
MTRIX3 49 0.711058 -0.599819 0.366897 0.00000
MTRIX1 50 0.431717 -0.864644 -0.256925 0.00000
MTRIX2 50 0.860280 0.309056 0.405466 0.00000
MTRIX3 50 -0.271180 -0.396074 0.877261 0.00000
MTRIX1 51 -0.454316 0.843061 0.287828 0.00000
MTRIX2 51 -0.542464 -0.005524 -0.840061 0.00000
MTRIX3 51 -0.706632 -0.537789 0.459841 0.00000
MTRIX1 52 0.427163 0.849906 -0.308531 0.00000
MTRIX2 52 -0.040003 -0.323132 -0.945508 0.00000
MTRIX3 52 -0.903289 0.416228 -0.104031 0.00000
MTRIX1 53 0.998006 -0.013729 -0.061613 0.00000
MTRIX2 53 -0.047336 -0.808501 -0.586588 0.00000
MTRIX3 53 -0.041761 0.588335 -0.807539 0.00000
MTRIX1 54 0.469327 -0.554330 0.687350 0.00000
MTRIX2 54 -0.554330 -0.790869 -0.259315 0.00000
MTRIX3 54 0.687350 -0.259315 -0.678458 0.00000
MTRIX1 55 -0.428257 -0.024805 0.903316 0.00000
MTRIX2 55 -0.860336 -0.294602 -0.415970 0.00000
MTRIX3 55 0.276437 -0.955298 0.104825 0.00000
MTRIX1 56 0.435754 -0.842759 -0.316031 0.00000
MTRIX2 56 -0.556903 0.023389 -0.830248 0.00000
MTRIX3 56 0.707092 0.537782 -0.459143 0.00000
MTRIX1 57 -0.428257 -0.860336 0.276437 0.00000
MTRIX2 57 -0.024805 -0.294602 -0.955298 0.00000
MTRIX3 57 0.903316 -0.415970 0.104825 0.00000
MTRIX1 58 -0.999034 -0.013582 0.041786 0.00000
MTRIX2 58 -0.013582 -0.808995 -0.587659 0.00000
MTRIX3 58 0.041786 -0.587659 0.808029 0.00000
MTRIX1 59 -0.487783 0.527318 -0.695703 0.00000
MTRIX2 59 -0.538744 -0.808915 -0.235396 0.00000
MTRIX3 59 -0.686894 0.259983 0.678665 0.00000
MTRIX1 60 0.398964 0.014858 -0.916846 0.00000
MTRIX2 60 -0.874534 -0.294474 -0.385324 0.00000
MTRIX3 60 -0.275712 0.955544 -0.104491 0.00000
(ATOM LINES ARE NOT SHOWN.)
END