HEADER VIRUS 21-FEB-04 1VB4
TITLE T=1 CAPSID STRUCTURE OF SESBANIA MOSAIC VIRUS COAT PROTEIN DELETION
TITLE 2 MUTANT CP-N(DELTA)36
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COAT PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 37-268;
COMPND 5 ENGINEERED: 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, DELETION 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 3 27-DEC-23 1VB4 1 REMARK LINK
REVDAT 2 24-FEB-09 1VB4 1 VERSN
REVDAT 1 23-NOV-04 1VB4 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. 3.30 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 : ENGH & HUBER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.30
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 248421.500
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 69.7
REMARK 3 NUMBER OF REFLECTIONS : 197581
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) : 0.255
REMARK 3 FREE R VALUE : 0.259
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900
REMARK 3 FREE R VALUE TEST SET COUNT : 19598
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) : 3.30
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.50
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 71.70
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 30364
REMARK 3 BIN R VALUE (WORKING SET) : 0.2990
REMARK 3 BIN FREE R VALUE : 0.3070
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.10
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 3393
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.005
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1454
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 1
REMARK 3 SOLVENT ATOMS : 89
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.50
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 COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.39
REMARK 3 ESD FROM SIGMAA (A) : 0.50
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) : 0.40
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.53
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.007
REMARK 3 BOND ANGLES (DEGREES) : 1.300
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.10
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.890
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) : 1.090 ; 1.500
REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.940 ; 2.000
REMARK 3 SIDE-CHAIN BOND (A**2) : 1.440 ; 2.000
REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.220 ; 2.500
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.25
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 : ION.PARAM
REMARK 3 PARAMETER FILE 4 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : WATER.TOP
REMARK 3 TOPOLOGY FILE 3 : ION.TOP
REMARK 3 TOPOLOGY FILE 4 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VB4 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_1000006422.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 29-JUL-02
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 : 205217
REMARK 200 RESOLUTION RANGE HIGH (A) : 3.300
REMARK 200 RESOLUTION RANGE LOW (A) : 15.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 71.2
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : 0.15600
REMARK 200 R SYM (I) : 0.15200
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
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) : 3.50
REMARK 200 COMPLETENESS FOR SHELL (%) : 73.2
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : 0.22600
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 21 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y+1/2,-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 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 96.65400
REMARK 290 SMTRY3 2 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 0.463798 -0.515246 0.720703 -26.47621
REMARK 350 BIOMT2 2 0.849520 0.489496 -0.196745 -22.50936
REMARK 350 BIOMT3 2 -0.251409 0.703502 0.664740 33.49784
REMARK 350 BIOMT1 3 -0.403794 0.015834 0.914713 -3.01598
REMARK 350 BIOMT2 3 0.859306 -0.336517 0.385161 -62.61023
REMARK 350 BIOMT3 3 0.313915 0.941544 0.122277 46.58616
REMARK 350 BIOMT1 4 -0.403794 0.859306 0.313915 37.95945
REMARK 350 BIOMT2 4 0.015834 -0.336517 0.941544 -64.88457
REMARK 350 BIOMT3 4 0.914713 0.385161 0.122277 21.17735
REMARK 350 BIOMT1 5 0.463798 0.849520 -0.251409 39.82343
REMARK 350 BIOMT2 5 -0.515246 0.489496 0.703502 -26.18932
REMARK 350 BIOMT3 5 0.720703 -0.196745 0.664740 -7.61448
REMARK 350 BIOMT1 6 -0.400158 -0.018769 0.916254 -3.27190
REMARK 350 BIOMT2 6 -0.018769 -0.999413 -0.028669 2.96180
REMARK 350 BIOMT3 6 0.916254 -0.028669 0.399571 2.20267
REMARK 350 BIOMT1 7 -0.431891 0.841579 0.324368 38.43777
REMARK 350 BIOMT2 7 -0.850519 -0.499707 0.164046 24.99452
REMARK 350 BIOMT3 7 0.300147 -0.205031 0.931598 -8.02619
REMARK 350 BIOMT1 8 0.433079 0.862674 -0.261221 41.79483
REMARK 350 BIOMT2 8 -0.860223 0.309029 -0.405608 64.25630
REMARK 350 BIOMT3 8 -0.269182 0.400369 0.875926 19.84868
REMARK 350 BIOMT1 9 0.999394 0.015363 -0.031250 2.15995
REMARK 350 BIOMT2 9 -0.034470 0.309149 -0.950389 66.48870
REMARK 350 BIOMT3 9 -0.004940 0.950889 0.309491 47.30517
REMARK 350 BIOMT1 10 0.484425 -0.529398 0.696470 -25.69282
REMARK 350 BIOMT2 10 0.485577 -0.499512 -0.717427 28.60661
REMARK 350 BIOMT3 10 0.727700 0.685730 0.015088 36.39934
REMARK 350 BIOMT1 11 -0.999601 0.028256 0.000317 84.73362
REMARK 350 BIOMT2 11 0.028256 0.999348 0.022457 -2.73245
REMARK 350 BIOMT3 11 0.000317 0.022457 -0.999748 136.66082
REMARK 350 BIOMT1 12 -0.439689 0.529095 -0.725763 110.57388
REMARK 350 BIOMT2 12 0.856426 0.490417 -0.161326 -25.22300
REMARK 350 BIOMT3 12 0.270570 -0.692495 -0.668762 102.65755
REMARK 350 BIOMT1 13 0.428013 -0.025037 -0.903426 85.99409
REMARK 350 BIOMT2 13 0.854387 -0.314706 0.413502 -64.34095
REMARK 350 BIOMT3 13 -0.294667 -0.948859 -0.113307 88.67945
REMARK 350 BIOMT1 14 0.404371 -0.868350 -0.287147 44.96270
REMARK 350 BIOMT2 14 0.024956 -0.303368 0.952547 -66.02661
REMARK 350 BIOMT3 14 -0.914255 -0.392348 -0.101003 114.04379
REMARK 350 BIOMT1 15 -0.477943 -0.835413 0.271397 44.18369
REMARK 350 BIOMT2 15 -0.485621 0.508763 0.710867 -27.95047
REMARK 350 BIOMT3 15 -0.731944 0.207958 -0.648854 143.69791
REMARK 350 BIOMT1 16 0.399759 -0.009487 -0.916571 88.08860
REMARK 350 BIOMT2 16 -0.009487 -0.999936 0.006212 0.18443
REMARK 350 BIOMT3 16 -0.916571 0.006212 -0.399823 134.52418
REMARK 350 BIOMT1 17 0.407782 -0.855428 -0.319308 47.01489
REMARK 350 BIOMT2 17 -0.855428 -0.480206 0.194025 23.15162
REMARK 350 BIOMT3 17 -0.319308 0.194025 -0.927576 145.25848
REMARK 350 BIOMT1 18 -0.457298 -0.853470 0.249934 44.77738
REMARK 350 BIOMT2 18 -0.853470 0.342194 -0.393055 63.10865
REMARK 350 BIOMT3 18 0.249934 -0.393055 -0.884896 118.27338
REMARK 350 BIOMT1 19 -0.999970 -0.006320 0.004482 84.46823
REMARK 350 BIOMT2 19 -0.006320 0.330736 -0.943702 64.83626
REMARK 350 BIOMT3 19 0.004482 -0.943702 -0.330766 90.86137
REMARK 350 BIOMT1 20 -0.470280 0.515290 -0.716458 111.23603
REMARK 350 BIOMT2 20 0.515290 -0.498746 -0.696942 25.94695
REMARK 350 BIOMT3 20 -0.716458 -0.696942 -0.030974 100.90492
REMARK 350 BIOMT1 21 0.477717 0.533146 0.698242 -25.63953
REMARK 350 BIOMT2 21 0.833104 -0.022705 -0.552650 2.56443
REMARK 350 BIOMT3 21 -0.278790 0.845719 -0.455012 111.17535
REMARK 350 BIOMT1 22 0.498939 0.506045 0.703547 -26.89885
REMARK 350 BIOMT2 22 0.506045 -0.829158 0.237519 -37.49452
REMARK 350 BIOMT3 22 0.703547 0.237519 -0.669781 84.27813
REMARK 350 BIOMT1 23 0.484425 0.485577 0.727700 -27.93229
REMARK 350 BIOMT2 23 -0.529398 -0.499512 0.685730 -24.27248
REMARK 350 BIOMT3 23 0.696470 -0.717427 0.015088 37.86826
REMARK 350 BIOMT1 24 0.454233 0.500028 0.737322 -27.31168
REMARK 350 BIOMT2 24 -0.842278 0.510673 0.172570 23.95814
REMARK 350 BIOMT3 24 -0.290241 -0.699417 0.653128 36.08261
REMARK 350 BIOMT1 25 0.450088 0.529427 0.719116 -25.89467
REMARK 350 BIOMT2 25 -0.000205 0.805356 -0.592791 40.54426
REMARK 350 BIOMT3 25 -0.892984 0.266660 0.362590 81.38889
REMARK 350 BIOMT1 26 0.438598 -0.561817 0.701423 -24.08550
REMARK 350 BIOMT2 26 -0.839315 0.022899 0.543163 -1.44595
REMARK 350 BIOMT3 26 -0.321220 -0.826945 -0.461497 113.59013
REMARK 350 BIOMT1 27 -0.450197 -0.007541 0.892897 0.44435
REMARK 350 BIOMT2 27 -0.506375 0.825779 -0.248339 38.45528
REMARK 350 BIOMT3 27 -0.735463 -0.563943 -0.375582 125.24965
REMARK 350 BIOMT1 28 -0.439689 0.856426 0.270570 42.44374
REMARK 350 BIOMT2 28 0.529095 0.490417 -0.692495 24.95559
REMARK 350 BIOMT3 28 -0.725763 -0.161326 -0.668762 144.83474
REMARK 350 BIOMT1 29 0.455601 0.836112 -0.305525 43.87094
REMARK 350 BIOMT2 29 0.836112 -0.519729 -0.175496 -23.28891
REMARK 350 BIOMT3 29 -0.305525 -0.175496 -0.935872 145.27947
REMARK 350 BIOMT1 30 0.998412 -0.040410 -0.039243 2.75361
REMARK 350 BIOMT2 30 -0.009612 -0.808671 0.588183 -39.60596
REMARK 350 BIOMT3 30 -0.055503 -0.586872 -0.807775 125.96923
REMARK 350 BIOMT1 31 -0.462240 0.561977 -0.685942 108.80470
REMARK 350 BIOMT2 31 -0.833588 -0.011561 0.552265 -2.30717
REMARK 350 BIOMT3 31 0.302430 0.827072 0.473801 23.05923
REMARK 350 BIOMT1 32 0.435476 0.030692 -0.899677 85.41578
REMARK 350 BIOMT2 32 -0.535282 0.812364 -0.231382 38.52300
REMARK 350 BIOMT3 32 0.723764 0.582342 0.370194 12.30648
REMARK 350 BIOMT1 33 0.454233 -0.842278 -0.290241 43.05793
REMARK 350 BIOMT2 33 0.500028 0.510673 -0.699417 26.65863
REMARK 350 BIOMT3 33 0.737322 0.172570 0.653128 -7.56350
REMARK 350 BIOMT1 34 -0.431891 -0.850519 0.300147 40.26826
REMARK 350 BIOMT2 34 0.841579 -0.499707 -0.205031 -21.50412
REMARK 350 BIOMT3 34 0.324368 0.164046 0.931598 -9.09106
REMARK 350 BIOMT1 35 -0.998303 0.017359 0.055590 80.90200
REMARK 350 BIOMT2 35 0.017359 -0.822465 0.568551 -39.40597
REMARK 350 BIOMT3 35 0.055590 0.568551 0.820768 9.83483
REMARK 350 BIOMT1 36 -0.454075 -0.533306 -0.713723 110.47066
REMARK 350 BIOMT2 36 0.839799 0.011366 -0.542779 1.60246
REMARK 350 BIOMT3 36 0.297579 -0.845846 0.442709 25.56296
REMARK 350 BIOMT1 37 -0.484217 -0.529196 -0.696768 110.58905
REMARK 350 BIOMT2 37 0.535612 -0.808985 0.242203 -39.06999
REMARK 350 BIOMT3 37 -0.691847 -0.255919 0.675169 51.55342
REMARK 350 BIOMT1 38 -0.498969 -0.499725 -0.708029 111.98094
REMARK 350 BIOMT2 38 -0.499725 -0.501578 0.706183 -26.92797
REMARK 350 BIOMT3 38 -0.708029 0.706183 0.000546 98.24818
REMARK 350 BIOMT1 39 -0.477943 -0.485621 -0.731944 112.72280
REMARK 350 BIOMT2 39 -0.835413 0.508763 0.207958 21.24866
REMARK 350 BIOMT3 39 0.271397 0.710867 -0.648854 101.11667
REMARK 350 BIOMT1 40 -0.450197 -0.506375 -0.735463 111.78939
REMARK 350 BIOMT2 40 -0.007541 0.825779 -0.563943 38.88143
REMARK 350 BIOMT3 40 0.892897 -0.248339 -0.375582 56.19473
REMARK 350 BIOMT1 41 0.477717 0.833104 -0.278790 41.10653
REMARK 350 BIOMT2 41 0.533146 -0.022705 0.845719 -80.29523
REMARK 350 BIOMT3 41 0.698242 -0.552650 -0.455012 69.90600
REMARK 350 BIOMT1 42 0.999394 -0.034470 -0.004940 0.36690
REMARK 350 BIOMT2 42 0.015363 0.309149 0.950889 -65.57010
REMARK 350 BIOMT3 42 -0.031250 -0.950389 0.309491 48.61706
REMARK 350 BIOMT1 43 0.435476 -0.535282 0.723764 -25.48284
REMARK 350 BIOMT2 43 0.030692 0.812364 0.582342 -41.08286
REMARK 350 BIOMT3 43 -0.899677 -0.231382 0.370194 81.20437
REMARK 350 BIOMT1 44 -0.434720 0.022773 0.900277 -0.71922
REMARK 350 BIOMT2 44 0.557949 0.791514 0.249397 -40.67405
REMARK 350 BIOMT3 44 -0.706903 0.610727 -0.356793 122.63337
REMARK 350 BIOMT1 45 -0.408614 0.868482 0.280666 40.43528
REMARK 350 BIOMT2 45 0.868482 0.275413 0.412172 -64.90863
REMARK 350 BIOMT3 45 0.280666 0.412172 -0.866799 115.65060
REMARK 350 BIOMT1 46 -0.462240 -0.833588 0.302430 41.39690
REMARK 350 BIOMT2 46 0.561977 -0.011561 0.827072 -80.24404
REMARK 350 BIOMT3 46 -0.685942 0.552265 0.473801 64.98235
REMARK 350 BIOMT1 47 -0.998570 0.042890 0.031904 82.52957
REMARK 350 BIOMT2 47 0.042890 0.286631 0.957080 -67.15770
REMARK 350 BIOMT3 47 0.031904 0.957080 -0.288061 86.58367
REMARK 350 BIOMT1 48 -0.434720 0.557949 -0.706903 109.07123
REMARK 350 BIOMT2 48 0.022773 0.791514 0.610727 -42.68502
REMARK 350 BIOMT3 48 0.900277 0.249397 -0.356793 54.54627
REMARK 350 BIOMT1 49 0.450088 -0.000205 -0.892984 84.34220
REMARK 350 BIOMT2 49 0.529427 0.805356 0.266660 -40.64641
REMARK 350 BIOMT3 49 0.719116 -0.592791 0.362590 13.14476
REMARK 350 BIOMT1 50 0.433079 -0.860223 -0.269182 42.51716
REMARK 350 BIOMT2 50 0.862674 0.309029 0.400369 -63.85916
REMARK 350 BIOMT3 50 -0.261221 -0.405608 0.875926 19.59461
REMARK 350 BIOMT1 51 -0.454075 0.839799 0.297579 41.20921
REMARK 350 BIOMT2 51 -0.533306 0.011366 -0.845846 80.51879
REMARK 350 BIOMT3 51 -0.713723 -0.542779 0.442709 68.39828
REMARK 350 BIOMT1 52 0.428013 0.854387 -0.294667 44.29633
REMARK 350 BIOMT2 52 -0.025037 -0.314706 -0.948859 66.04885
REMARK 350 BIOMT3 52 -0.903426 0.413502 -0.113307 114.34234
REMARK 350 BIOMT1 53 0.998412 -0.009612 -0.055503 3.86177
REMARK 350 BIOMT2 53 -0.040410 -0.808671 -0.586872 42.01087
REMARK 350 BIOMT3 53 -0.039243 0.588183 -0.807775 125.15844
REMARK 350 BIOMT1 54 0.468850 -0.558180 0.684554 -24.21528
REMARK 350 BIOMT2 54 -0.558180 -0.787885 -0.260139 41.62451
REMARK 350 BIOMT3 54 0.684554 -0.260139 -0.680965 85.89910
REMARK 350 BIOMT1 55 -0.428836 -0.033215 0.902771 -1.13329
REMARK 350 BIOMT2 55 -0.862806 -0.281074 -0.420193 65.42372
REMARK 350 BIOMT3 55 0.267703 -0.959111 0.091877 50.81939
REMARK 350 BIOMT1 56 0.438598 -0.839315 -0.321220 45.83768
REMARK 350 BIOMT2 56 -0.561817 0.022899 -0.826945 80.43425
REMARK 350 BIOMT3 56 0.701423 0.543163 -0.461497 70.10105
REMARK 350 BIOMT1 57 -0.428836 -0.862806 0.267703 42.35752
REMARK 350 BIOMT2 57 -0.033215 -0.281074 -0.959111 67.09272
REMARK 350 BIOMT3 57 0.902771 -0.420193 0.091877 23.84461
REMARK 350 BIOMT1 58 -0.999168 -0.013055 0.038642 82.10016
REMARK 350 BIOMT2 58 -0.013055 -0.795207 -0.606197 42.17078
REMARK 350 BIOMT3 58 0.038642 -0.606197 0.794375 12.47860
REMARK 350 BIOMT1 59 -0.484217 0.535612 -0.691847 110.14262
REMARK 350 BIOMT2 59 -0.529196 -0.808985 -0.255919 40.10972
REMARK 350 BIOMT3 59 -0.696768 0.242203 0.675169 51.71045
REMARK 350 BIOMT1 60 0.404371 0.024956 -0.914255 87.73118
REMARK 350 BIOMT2 60 -0.868350 -0.303368 -0.392348 63.75784
REMARK 350 BIOMT3 60 -0.287147 0.952547 -0.101003 87.32309
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 SER A 37
REMARK 465 ALA A 38
REMARK 465 VAL A 39
REMARK 465 GLN A 40
REMARK 465 GLN A 41
REMARK 465 LEU A 42
REMARK 465 GLN A 43
REMARK 465 PRO A 44
REMARK 465 THR A 45
REMARK 465 GLN A 46
REMARK 465 ALA A 47
REMARK 465 GLY A 48
REMARK 465 ILE A 49
REMARK 465 SER A 50
REMARK 465 MET A 51
REMARK 465 ALA A 52
REMARK 465 PRO A 53
REMARK 465 SER A 54
REMARK 465 ALA A 55
REMARK 465 GLN A 56
REMARK 465 GLY A 57
REMARK 465 ALA A 58
REMARK 465 MET A 59
REMARK 465 VAL A 60
REMARK 465 ARG A 61
REMARK 465 ILE A 62
REMARK 465 ARG A 63
REMARK 465 ASN A 64
REMARK 465 PRO A 65
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 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 ARG A 183 CG CD NE CZ NH1 NH2
REMARK 470 SER A 185 OG
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 84 144.24 -170.33
REMARK 500 VAL A 99 71.70 -101.50
REMARK 500 SER A 130 -0.51 -141.14
REMARK 500 MET A 147 -19.46 -49.40
REMARK 500 SER A 185 -62.46 -99.73
REMARK 500 ASP A 186 54.20 -56.17
REMARK 500 VAL A 197 -58.47 62.80
REMARK 500 ALA A 244 132.58 -36.24
REMARK 500 PRO A 261 152.98 -48.98
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 CA A 358 CA
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 TYR A 207 O
REMARK 620 2 ASN A 267 OD1 84.7
REMARK 620 3 ASN A 268 O 73.0 85.8
REMARK 620 N 1 2
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 358
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: 1VB2 RELATED DB: PDB
REMARK 900 MUTANT D146N AND D149N
DBREF 1VB4 A 37 268 UNP Q9EB06 Q9EB06_9VIRU 37 268
SEQRES 1 A 232 SER ALA VAL GLN GLN LEU GLN PRO THR GLN ALA GLY ILE
SEQRES 2 A 232 SER MET ALA PRO SER ALA GLN GLY ALA MET VAL ARG ILE
SEQRES 3 A 232 ARG ASN PRO ALA VAL SER SER SER ARG GLY GLY ILE THR
SEQRES 4 A 232 VAL LEU THR HIS SER GLU LEU SER ALA GLU ILE GLY VAL
SEQRES 5 A 232 THR ASP SER ILE VAL VAL SER SER GLU LEU VAL MET PRO
SEQRES 6 A 232 TYR THR VAL GLY THR TRP LEU ARG GLY VAL ALA ALA ASN
SEQRES 7 A 232 TRP SER LYS TYR SER TRP LEU SER VAL ARG TYR THR TYR
SEQRES 8 A 232 ILE PRO SER CYS PRO SER SER THR ALA GLY SER ILE HIS
SEQRES 9 A 232 MET GLY PHE GLN TYR ASP MET ALA ASP THR VAL PRO VAL
SEQRES 10 A 232 SER VAL ASN GLN LEU SER ASN LEU ARG GLY TYR VAL SER
SEQRES 11 A 232 GLY GLN VAL TRP SER GLY SER ALA GLY LEU CYS PHE ILE
SEQRES 12 A 232 ASN GLY THR ARG CYS SER ASP THR SER THR ALA ILE SER
SEQRES 13 A 232 THR THR LEU ASP VAL SER LYS LEU GLY LYS LYS TRP TYR
SEQRES 14 A 232 PRO TYR LYS THR SER ALA ASP TYR ALA THR ALA VAL GLY
SEQRES 15 A 232 VAL ASP VAL ASN ILE ALA THR PRO LEU VAL PRO ALA ARG
SEQRES 16 A 232 LEU VAL ILE ALA LEU LEU ASP GLY SER SER SER THR ALA
SEQRES 17 A 232 VAL ALA ALA GLY ARG ILE TYR CYS THR TYR THR ILE GLN
SEQRES 18 A 232 MET ILE GLU PRO THR ALA SER ALA LEU ASN ASN
HET CA A 358 1
HETNAM CA CALCIUM ION
FORMUL 2 CA CA 2+
FORMUL 3 HOH *89(H2 O)
HELIX 1 1 MET A 100 GLY A 105 1 6
HELIX 2 2 GLY A 105 ALA A 113 1 9
HELIX 3 3 SER A 154 LEU A 161 1 8
HELIX 4 4 GLY A 172 ALA A 174 5 3
HELIX 5 5 GLY A 175 ASN A 180 1 6
HELIX 6 6 THR A 209 ASP A 220 1 12
HELIX 7 7 VAL A 221 THR A 225 5 5
HELIX 8 8 ALA A 263 ASN A 267 5 5
SHEET 1 A 4 THR A 75 VAL A 88 0
SHEET 2 A 4 VAL A 245 PRO A 261 -1 O GLY A 248 N ILE A 86
SHEET 3 A 4 TRP A 115 PRO A 129 -1 N ILE A 128 O ARG A 249
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 GLY A 248 N ILE A 86
SHEET 3 B 4 TRP A 115 PRO A 129 -1 N ILE A 128 O ARG A 249
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
LINK O TYR A 207 CA CA A 358 1555 1555 2.36
LINK OD1 ASN A 267 CA CA A 358 1555 1555 2.18
LINK O ASN A 268 CA CA A 358 1555 1555 2.40
SITE 1 AC1 3 TYR A 207 ASN A 267 ASN A 268
CRYST1 187.302 193.308 268.368 90.00 92.28 90.00 P 1 21 1 120
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 0.005339 0.000000 0.000213 0.00000
SCALE2 0.000000 0.005173 0.000000 0.00000
SCALE3 0.000000 0.000000 0.003729 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 0.463798 -0.515246 0.720703 -26.47621
MTRIX2 2 0.849520 0.489496 -0.196745 -22.50936
MTRIX3 2 -0.251409 0.703502 0.664740 33.49784
MTRIX1 3 -0.403794 0.015834 0.914713 -3.01598
MTRIX2 3 0.859306 -0.336517 0.385161 -62.61023
MTRIX3 3 0.313915 0.941544 0.122277 46.58616
MTRIX1 4 -0.403794 0.859306 0.313915 37.95945
MTRIX2 4 0.015834 -0.336517 0.941544 -64.88457
MTRIX3 4 0.914713 0.385161 0.122277 21.17735
MTRIX1 5 0.463798 0.849520 -0.251409 39.82343
MTRIX2 5 -0.515246 0.489496 0.703502 -26.18932
MTRIX3 5 0.720703 -0.196745 0.664740 -7.61448
MTRIX1 6 -0.400158 -0.018769 0.916254 -3.27190
MTRIX2 6 -0.018769 -0.999413 -0.028669 2.96180
MTRIX3 6 0.916254 -0.028669 0.399571 2.20267
MTRIX1 7 -0.431891 0.841579 0.324368 38.43777
MTRIX2 7 -0.850519 -0.499707 0.164046 24.99452
MTRIX3 7 0.300147 -0.205031 0.931598 -8.02619
MTRIX1 8 0.433079 0.862674 -0.261221 41.79483
MTRIX2 8 -0.860223 0.309029 -0.405608 64.25630
MTRIX3 8 -0.269182 0.400369 0.875926 19.84868
MTRIX1 9 0.999394 0.015363 -0.031250 2.15995
MTRIX2 9 -0.034470 0.309149 -0.950389 66.48870
MTRIX3 9 -0.004940 0.950889 0.309491 47.30517
MTRIX1 10 0.484425 -0.529398 0.696470 -25.69282
MTRIX2 10 0.485577 -0.499512 -0.717427 28.60661
MTRIX3 10 0.727700 0.685730 0.015088 36.39934
MTRIX1 11 -0.999601 0.028256 0.000317 84.73362
MTRIX2 11 0.028256 0.999348 0.022457 -2.73245
MTRIX3 11 0.000317 0.022457 -0.999748 136.66082
MTRIX1 12 -0.439689 0.529095 -0.725763 110.57388
MTRIX2 12 0.856426 0.490417 -0.161326 -25.22300
MTRIX3 12 0.270570 -0.692495 -0.668762 102.65755
MTRIX1 13 0.428013 -0.025037 -0.903426 85.99409
MTRIX2 13 0.854387 -0.314706 0.413502 -64.34095
MTRIX3 13 -0.294667 -0.948859 -0.113307 88.67945
MTRIX1 14 0.404371 -0.868350 -0.287147 44.96270
MTRIX2 14 0.024956 -0.303368 0.952547 -66.02661
MTRIX3 14 -0.914255 -0.392348 -0.101003 114.04379
MTRIX1 15 -0.477943 -0.835413 0.271397 44.18369
MTRIX2 15 -0.485621 0.508763 0.710867 -27.95047
MTRIX3 15 -0.731944 0.207958 -0.648854 143.69791
MTRIX1 16 0.399759 -0.009487 -0.916571 88.08860
MTRIX2 16 -0.009487 -0.999936 0.006212 0.18443
MTRIX3 16 -0.916571 0.006212 -0.399823 134.52418
MTRIX1 17 0.407782 -0.855428 -0.319308 47.01489
MTRIX2 17 -0.855428 -0.480206 0.194025 23.15162
MTRIX3 17 -0.319308 0.194025 -0.927576 145.25848
MTRIX1 18 -0.457298 -0.853470 0.249934 44.77738
MTRIX2 18 -0.853470 0.342194 -0.393055 63.10865
MTRIX3 18 0.249934 -0.393055 -0.884896 118.27338
MTRIX1 19 -0.999970 -0.006320 0.004482 84.46823
MTRIX2 19 -0.006320 0.330736 -0.943702 64.83626
MTRIX3 19 0.004482 -0.943702 -0.330766 90.86137
MTRIX1 20 -0.470280 0.515290 -0.716458 111.23603
MTRIX2 20 0.515290 -0.498746 -0.696942 25.94695
MTRIX3 20 -0.716458 -0.696942 -0.030974 100.90492
MTRIX1 21 0.477717 0.533146 0.698242 -25.63953
MTRIX2 21 0.833104 -0.022705 -0.552650 2.56443
MTRIX3 21 -0.278790 0.845719 -0.455012 111.17535
MTRIX1 22 0.498939 0.506045 0.703547 -26.89885
MTRIX2 22 0.506045 -0.829158 0.237519 -37.49452
MTRIX3 22 0.703547 0.237519 -0.669781 84.27813
MTRIX1 23 0.484425 0.485577 0.727700 -27.93229
MTRIX2 23 -0.529398 -0.499512 0.685730 -24.27248
MTRIX3 23 0.696470 -0.717427 0.015088 37.86826
MTRIX1 24 0.454233 0.500028 0.737322 -27.31168
MTRIX2 24 -0.842278 0.510673 0.172570 23.95814
MTRIX3 24 -0.290241 -0.699417 0.653128 36.08261
MTRIX1 25 0.450088 0.529427 0.719116 -25.89467
MTRIX2 25 -0.000205 0.805356 -0.592791 40.54426
MTRIX3 25 -0.892984 0.266660 0.362590 81.38889
MTRIX1 26 0.438598 -0.561817 0.701423 -24.08550
MTRIX2 26 -0.839315 0.022899 0.543163 -1.44595
MTRIX3 26 -0.321220 -0.826945 -0.461497 113.59013
MTRIX1 27 -0.450197 -0.007541 0.892897 0.44435
MTRIX2 27 -0.506375 0.825779 -0.248339 38.45528
MTRIX3 27 -0.735463 -0.563943 -0.375582 125.24965
MTRIX1 28 -0.439689 0.856426 0.270570 42.44374
MTRIX2 28 0.529095 0.490417 -0.692495 24.95559
MTRIX3 28 -0.725763 -0.161326 -0.668762 144.83474
MTRIX1 29 0.455601 0.836112 -0.305525 43.87094
MTRIX2 29 0.836112 -0.519729 -0.175496 -23.28891
MTRIX3 29 -0.305525 -0.175496 -0.935872 145.27947
MTRIX1 30 0.998412 -0.040410 -0.039243 2.75361
MTRIX2 30 -0.009612 -0.808671 0.588183 -39.60596
MTRIX3 30 -0.055503 -0.586872 -0.807775 125.96923
MTRIX1 31 -0.462240 0.561977 -0.685942 108.80470
MTRIX2 31 -0.833588 -0.011561 0.552265 -2.30717
MTRIX3 31 0.302430 0.827072 0.473801 23.05923
MTRIX1 32 0.435476 0.030692 -0.899677 85.41578
MTRIX2 32 -0.535282 0.812364 -0.231382 38.52300
MTRIX3 32 0.723764 0.582342 0.370194 12.30648
MTRIX1 33 0.454233 -0.842278 -0.290241 43.05793
MTRIX2 33 0.500028 0.510673 -0.699417 26.65863
MTRIX3 33 0.737322 0.172570 0.653128 -7.56350
MTRIX1 34 -0.431891 -0.850519 0.300147 40.26826
MTRIX2 34 0.841579 -0.499707 -0.205031 -21.50412
MTRIX3 34 0.324368 0.164046 0.931598 -9.09106
MTRIX1 35 -0.998303 0.017359 0.055590 80.90200
MTRIX2 35 0.017359 -0.822465 0.568551 -39.40597
MTRIX3 35 0.055590 0.568551 0.820768 9.83483
MTRIX1 36 -0.454075 -0.533306 -0.713723 110.47066
MTRIX2 36 0.839799 0.011366 -0.542779 1.60246
MTRIX3 36 0.297579 -0.845846 0.442709 25.56296
MTRIX1 37 -0.484217 -0.529196 -0.696768 110.58905
MTRIX2 37 0.535612 -0.808985 0.242203 -39.06999
MTRIX3 37 -0.691847 -0.255919 0.675169 51.55342
MTRIX1 38 -0.498969 -0.499725 -0.708029 111.98094
MTRIX2 38 -0.499725 -0.501578 0.706183 -26.92797
MTRIX3 38 -0.708029 0.706183 0.000546 98.24818
MTRIX1 39 -0.477943 -0.485621 -0.731944 112.72280
MTRIX2 39 -0.835413 0.508763 0.207958 21.24866
MTRIX3 39 0.271397 0.710867 -0.648854 101.11667
MTRIX1 40 -0.450197 -0.506375 -0.735463 111.78939
MTRIX2 40 -0.007541 0.825779 -0.563943 38.88143
MTRIX3 40 0.892897 -0.248339 -0.375582 56.19473
MTRIX1 41 0.477717 0.833104 -0.278790 41.10653
MTRIX2 41 0.533146 -0.022705 0.845719 -80.29523
MTRIX3 41 0.698242 -0.552650 -0.455012 69.90600
MTRIX1 42 0.999394 -0.034470 -0.004940 0.36690
MTRIX2 42 0.015363 0.309149 0.950889 -65.57010
MTRIX3 42 -0.031250 -0.950389 0.309491 48.61706
MTRIX1 43 0.435476 -0.535282 0.723764 -25.48284
MTRIX2 43 0.030692 0.812364 0.582342 -41.08286
MTRIX3 43 -0.899677 -0.231382 0.370194 81.20437
MTRIX1 44 -0.434720 0.022773 0.900277 -0.71922
MTRIX2 44 0.557949 0.791514 0.249397 -40.67405
MTRIX3 44 -0.706903 0.610727 -0.356793 122.63337
MTRIX1 45 -0.408614 0.868482 0.280666 40.43528
MTRIX2 45 0.868482 0.275413 0.412172 -64.90863
MTRIX3 45 0.280666 0.412172 -0.866799 115.65060
MTRIX1 46 -0.462240 -0.833588 0.302430 41.39690
MTRIX2 46 0.561977 -0.011561 0.827072 -80.24404
MTRIX3 46 -0.685942 0.552265 0.473801 64.98235
MTRIX1 47 -0.998570 0.042890 0.031904 82.52957
MTRIX2 47 0.042890 0.286631 0.957080 -67.15770
MTRIX3 47 0.031904 0.957080 -0.288061 86.58367
MTRIX1 48 -0.434720 0.557949 -0.706903 109.07123
MTRIX2 48 0.022773 0.791514 0.610727 -42.68502
MTRIX3 48 0.900277 0.249397 -0.356793 54.54627
MTRIX1 49 0.450088 -0.000205 -0.892984 84.34220
MTRIX2 49 0.529427 0.805356 0.266660 -40.64641
MTRIX3 49 0.719116 -0.592791 0.362590 13.14476
MTRIX1 50 0.433079 -0.860223 -0.269182 42.51716
MTRIX2 50 0.862674 0.309029 0.400369 -63.85916
MTRIX3 50 -0.261221 -0.405608 0.875926 19.59461
MTRIX1 51 -0.454075 0.839799 0.297579 41.20921
MTRIX2 51 -0.533306 0.011366 -0.845846 80.51879
MTRIX3 51 -0.713723 -0.542779 0.442709 68.39828
MTRIX1 52 0.428013 0.854387 -0.294667 44.29633
MTRIX2 52 -0.025037 -0.314706 -0.948859 66.04885
MTRIX3 52 -0.903426 0.413502 -0.113307 114.34234
MTRIX1 53 0.998412 -0.009612 -0.055503 3.86177
MTRIX2 53 -0.040410 -0.808671 -0.586872 42.01087
MTRIX3 53 -0.039243 0.588183 -0.807775 125.15844
MTRIX1 54 0.468850 -0.558180 0.684554 -24.21528
MTRIX2 54 -0.558180 -0.787885 -0.260139 41.62451
MTRIX3 54 0.684554 -0.260139 -0.680965 85.89910
MTRIX1 55 -0.428836 -0.033215 0.902771 -1.13329
MTRIX2 55 -0.862806 -0.281074 -0.420193 65.42372
MTRIX3 55 0.267703 -0.959111 0.091877 50.81939
MTRIX1 56 0.438598 -0.839315 -0.321220 45.83768
MTRIX2 56 -0.561817 0.022899 -0.826945 80.43425
MTRIX3 56 0.701423 0.543163 -0.461497 70.10105
MTRIX1 57 -0.428836 -0.862806 0.267703 42.35752
MTRIX2 57 -0.033215 -0.281074 -0.959111 67.09272
MTRIX3 57 0.902771 -0.420193 0.091877 23.84461
MTRIX1 58 -0.999168 -0.013055 0.038642 82.10016
MTRIX2 58 -0.013055 -0.795207 -0.606197 42.17078
MTRIX3 58 0.038642 -0.606197 0.794375 12.47860
MTRIX1 59 -0.484217 0.535612 -0.691847 110.14262
MTRIX2 59 -0.529196 -0.808985 -0.255919 40.10972
MTRIX3 59 -0.696768 0.242203 0.675169 51.71045
MTRIX1 60 0.404371 0.024956 -0.914255 87.73118
MTRIX2 60 -0.868350 -0.303368 -0.392348 63.75784
MTRIX3 60 -0.287147 0.952547 -0.101003 87.32309
(ATOM LINES ARE NOT SHOWN.)
END