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Database: PDB
Entry: 1HI5
LinkDB: 1HI5
Original site: 1HI5 
HEADER    HYDROLASE                               02-JAN-01   1HI5              
TITLE     EOSINOPHIL-DERIVED NEUROTOXIN (EDN) - ADENOSINE-5'-DIPHOSPHATE COMPLEX
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EOSINOPHIL-DERIVED NEUROTOXIN;                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: RNASE-2, RNASE-US, EDN;                                     
COMPND   5 EC: 3.1.27.5;                                                        
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 TISSUE: BLOOD;                                                       
SOURCE   6 CELL: EOSINOPHIL;                                                    
SOURCE   7 ORGANELLE: GRANULE;                                                  
SOURCE   8 CELLULAR_LOCATION: SECRETORY GRANULES;                               
SOURCE   9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  10 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    HYDROLASE, RNASE-2, RNASE US, RIBONUCLEASE                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    D.D.LEONIDAS,E.BOIX,R.PRILL,M.SUZUKI,R.TURTON,K.MINSON,               
AUTHOR   2 G.J.SWAMINATHAN,R.J.YOULE,K.R.ACHARYA                                
REVDAT   3   30-MAY-18 1HI5    1       TITLE                                    
REVDAT   2   24-FEB-09 1HI5    1       VERSN                                    
REVDAT   1   31-MAY-01 1HI5    0                                                
JRNL        AUTH   D.D.LEONIDAS,E.BOIX,R.PRILL,M.SUZUKI,R.TURTON,K.MINSON,      
JRNL        AUTH 2 G.J.SWAMINATHAN,R.J.YOULE,K.R.ACHARYA                        
JRNL        TITL   MAPPING THE RIBONUCLEOLYTIC ACTIVE SITE OF                   
JRNL        TITL 2 EOSINOPHIL-DERIVED NEUROTOXIN (EDN): HIGH RESOLUTION CRYSTAL 
JRNL        TITL 3 STRUCTURES OF EDN COMPLEXES WITH ADENYLIC NUCLEOTIDE         
JRNL        TITL 4 INHIBITORS                                                   
JRNL        REF    J.BIOL.CHEM.                  V. 276 15009 2001              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   11154698                                                     
JRNL        DOI    10.1074/JBC.M010585200                                       
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.C.MOSIMANN,D.L.NEWTON,R.J.YOULE,M.N.JAMES                  
REMARK   1  TITL   X-RAY CRYSTALLOGRAPHIC STRUCTURE OF RECOMBINANT              
REMARK   1  TITL 2 EOSINOPHIL-DERIVED NEUROTOXIN AT 1.83 A RESOLUTION           
REMARK   1  REF    J.MOL.BIOL.                   V. 260   540 1996              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   1  PMID   8759319                                                      
REMARK   1  DOI    10.1006/JMBI.1996.0420                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 10000000.000                   
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0010                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.7                           
REMARK   3   NUMBER OF REFLECTIONS             : 11720                          
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) : 0.193                           
REMARK   3   FREE R VALUE                     : 0.253                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.200                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 604                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.010                           
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) : 1.80                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.91                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 89.90                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1674                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2810                       
REMARK   3   BIN FREE R VALUE                    : 0.3280                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.30                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 76                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.038                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1089                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 27                                      
REMARK   3   SOLVENT ATOMS            : 132                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 14.10                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 16.30                          
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) : 0.19                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.19                            
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) : 0.26                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.24                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.009                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.500                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 27.70                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.790                           
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) : 1.400 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 2.090 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.540 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.830 ; 2.500                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP                                    
REMARK   3  PARAMETER FILE  2  : PAR                                            
REMARK   3  PARAMETER FILE  3  : LIG                                            
REMARK   3  PARAMETER FILE  4  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : TOPHCSDX.PR                                    
REMARK   3  TOPOLOGY FILE  2   : TOP                                            
REMARK   3  TOPOLOGY FILE  3   : LIG                                            
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED                   
REMARK   4                                                                      
REMARK   4 1HI5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 02-JAN-01.                  
REMARK 100 THE DEPOSITION ID IS D_1290005748.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-MAR-99                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 6.50                               
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          : ENRAF-NONIUS                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
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   : 11749                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.4                               
REMARK 200  DATA REDUNDANCY                : 5.000                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.06400                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.86                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 82.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.26300                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.200                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 44.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.34                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.5M AMMONIUM SULFATE, 0.1M SODIUM       
REMARK 280  CACODYLATE PH 6.5, 5% ETHANOL, PH 6.50                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-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       26.32300            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       20.88550            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       28.15900            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       20.88550            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       26.32300            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       28.15900            
REMARK 290   SMTRY3   4  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 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: PQS                                                   
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 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    ARG A  36      146.04    175.57                                   
REMARK 500    LYS A  66      -18.68    -48.86                                   
REMARK 500    ASN A  92      103.74   -178.37                                   
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 RESIDUE ADP A 999                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1HI2   RELATED DB: PDB                                   
REMARK 900 EOSINOPHIL-DERIVED NEUROTOXIN (EDN) - SULPHATE COMPLEX               
REMARK 900 RELATED ID: 1HI3   RELATED DB: PDB                                   
REMARK 900 EOSINOPHIL-DERIVED NEUROTOXIN (EDN) - ADENOSINE-2'-5'-DIPHOSPHATE    
REMARK 900 COMPLEX                                                              
REMARK 900 RELATED ID: 1HI4   RELATED DB: PDB                                   
REMARK 900 EOSINOPHIL-DERIVED NEUROTOXIN (EDN) - ADENOSINE-3'-5'-DIPHOSPHATE    
REMARK 900 COMPLEX                                                              
DBREF  1HI5 A    0   134  UNP    P10153   RNKD_HUMAN      27    161             
SEQADV 1HI5 MET A    0  UNP  P10153              CLONING ARTIFACT               
SEQRES   1 A  135  MET LYS PRO PRO GLN PHE THR TRP ALA GLN TRP PHE GLU          
SEQRES   2 A  135  THR GLN HIS ILE ASN MET THR SER GLN GLN CYS THR ASN          
SEQRES   3 A  135  ALA MET GLN VAL ILE ASN ASN TYR GLN ARG ARG CYS LYS          
SEQRES   4 A  135  ASN GLN ASN THR PHE LEU LEU THR THR PHE ALA ASN VAL          
SEQRES   5 A  135  VAL ASN VAL CYS GLY ASN PRO ASN MET THR CYS PRO SER          
SEQRES   6 A  135  ASN LYS THR ARG LYS ASN CYS HIS HIS SER GLY SER GLN          
SEQRES   7 A  135  VAL PRO LEU ILE HIS CYS ASN LEU THR THR PRO SER PRO          
SEQRES   8 A  135  GLN ASN ILE SER ASN CYS ARG TYR ALA GLN THR PRO ALA          
SEQRES   9 A  135  ASN MET PHE TYR ILE VAL ALA CYS ASP ASN ARG ASP GLN          
SEQRES  10 A  135  ARG ARG ASP PRO PRO GLN TYR PRO VAL VAL PRO VAL HIS          
SEQRES  11 A  135  LEU ASP ARG ILE ILE                                          
HET    ADP  A 999      27                                                       
HETNAM     ADP ADENOSINE-5'-DIPHOSPHATE                                         
FORMUL   2  ADP    C10 H15 N5 O10 P2                                            
FORMUL   3  HOH   *132(H2 O)                                                    
HELIX    1   1 THR A    6  ILE A   16  1                                  11    
HELIX    2   2 GLN A   22  ARG A   35  1                                  14    
HELIX    3   3 THR A   47  CYS A   55  1                                   9    
HELIX    4   4 ASN A   92  CYS A   96  5                                   5    
SHEET    1  AA 3 GLN A  40  LEU A  44  0                                        
SHEET    2  AA 3 VAL A  78  THR A  87 -1  O  ILE A  81   N  PHE A  43           
SHEET    3  AA 3 ARG A  97  MET A 105 -1  O  ARG A  97   N  THR A  86           
SHEET    1  AB 4 ASN A  59  MET A  60  0                                        
SHEET    2  AB 4 CYS A  71  HIS A  73  0                                        
SHEET    3  AB 4 TYR A 107  ASN A 113 -1  O  VAL A 109   N  HIS A  72           
SHEET    4  AB 4 VAL A 125  ILE A 133 -1  O  VAL A 126   N  ASP A 112           
SSBOND   1 CYS A   23    CYS A   83                          1555   1555  2.03  
SSBOND   2 CYS A   37    CYS A   96                          1555   1555  2.03  
SSBOND   3 CYS A   55    CYS A  111                          1555   1555  2.04  
SSBOND   4 CYS A   62    CYS A   71                          1555   1555  2.03  
SITE     1 AC1 12 GLN A  14  HIS A  15  LYS A  38  GLN A  40                    
SITE     2 AC1 12 HIS A  82  HIS A 129  LEU A 130  HOH A2016                    
SITE     3 AC1 12 HOH A2052  HOH A2123  HOH A2128  HOH A2131                    
CRYST1   52.646   56.318   41.771  90.00  90.00  90.00 P 21 21 21    4          
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      0.018995  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017756  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.023940        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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