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Entry: 1VB4
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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                                                                             
DBGET integrated database retrieval system