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Database: PDB
Entry: 4RBV
LinkDB: 4RBV
Original site: 4RBV 
HEADER    STRUCTURAL PROTEIN                      13-SEP-14   4RBV              
TITLE     PDUA K26A S40GSG MUTANT, FROM SALMONELLA ENTERICA SEROVAR TYPHIMURIUM 
TITLE    2 LT2                                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROPANEDIOL UTILIZATION PROTEIN PDUA;                      
COMPND   3 CHAIN: A, B, C, D, E, F, G;                                          
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SEROVAR TYPHIMURIUM;        
SOURCE   3 ORGANISM_TAXID: 99287;                                               
SOURCE   4 STRAIN: LT2;                                                         
SOURCE   5 GENE: PDUA;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 CODONPLUS(DE3)-RIL;                   
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET22B+                                   
KEYWDS    BACTERIAL MICROCOMPARTMENT SHELL PROTEIN, STRUCTURAL PROTEIN          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.CHUN,M.R.SAWAYA,T.O.YEATES                                          
REVDAT   3   25-MAR-15 4RBV    1       JRNL                                     
REVDAT   2   11-MAR-15 4RBV    1       JRNL                                     
REVDAT   1   18-FEB-15 4RBV    0                                                
JRNL        AUTH   C.CHOWDHURY,S.CHUN,A.PANG,M.R.SAWAYA,S.SINHA,T.O.YEATES,     
JRNL        AUTH 2 T.A.BOBIK                                                    
JRNL        TITL   SELECTIVE MOLECULAR TRANSPORT THROUGH THE PROTEIN SHELL OF A 
JRNL        TITL 2 BACTERIAL MICROCOMPARTMENT ORGANELLE.                        
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 112  2990 2015              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   25713376                                                     
JRNL        DOI    10.1073/PNAS.1423672112                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER 2.10.0                                        
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN,              
REMARK   3               : WOMACK,MATTHEWS,TEN EYCK,TRONRUD                     
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.53                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 19473                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD           : THROUGHOUT                     
REMARK   3   FREE R VALUE TEST SET SELECTION   : RANDOM                         
REMARK   3   R VALUE     (WORKING + TEST SET)  : 0.197                          
REMARK   3   R VALUE            (WORKING SET)  : 0.194                          
REMARK   3   FREE R VALUE                      : 0.218                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 10.000                         
REMARK   3   FREE R VALUE TEST SET COUNT       : 1948                           
REMARK   3   ESTIMATED ERROR OF FREE R VALUE   : NULL                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED               : 10                       
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 3.10                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 3.27                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : 97.63                    
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 2798                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.3567                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 2518                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.3532                   
REMARK   3   BIN FREE R VALUE                        : 0.3869                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 10.01                    
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 280                      
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE     : NULL                     
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 4148                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 15                                      
REMARK   3   SOLVENT ATOMS            : 2                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 135.22                         
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 95.32                          
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) : 0.663               
REMARK   3   DPI (BLOW EQ-10) BASED ON R VALUE        (A) : NULL                
REMARK   3   DPI (BLOW EQ-9) BASED ON FREE R VALUE    (A) : NULL                
REMARK   3   DPI (CRUICKSHANK) BASED ON R VALUE       (A) : 0.737               
REMARK   3   DPI (CRUICKSHANK) BASED ON FREE R VALUE  (A) : NULL                
REMARK   3                                                                      
REMARK   3   REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797                
REMARK   3               CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601     
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.946                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.931                         
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 4194   ; 2.000  ; HARMONIC            
REMARK   3    BOND ANGLES               : 5728   ; 2.000  ; HARMONIC            
REMARK   3    TORSION ANGLES            : 1370   ; 2.000  ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 61     ; 2.000  ; HARMONIC            
REMARK   3    GENERAL PLANES            : 655    ; 5.000  ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 4194   ; 20.000 ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : NULL   ; NULL   ; NULL                
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 618    ; 5.000  ; SEMIHARMONIC        
REMARK   3    SUM OF OCCUPANCIES        : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY DISTANCES         : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY ANGLES            : NULL   ; NULL   ; NULL                
REMARK   3    UTILITY TORSION           : NULL   ; NULL   ; NULL                
REMARK   3    IDEAL-DIST CONTACT TERM   : 4904   ; 4.000  ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.34                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 2.59                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 20.36                    
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 7                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: { A|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   31.7132   57.8261   31.3306           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.1000 T22:   -0.0525                                    
REMARK   3     T33:   -0.0378 T12:    0.0045                                    
REMARK   3     T13:   -0.1690 T23:   -0.0120                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    3.4702 L22:    5.0011                                    
REMARK   3     L33:    5.4771 L12:   -0.8673                                    
REMARK   3     L13:   -1.3617 L23:   -1.6102                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1437 S12:   -0.0493 S13:    0.1403                     
REMARK   3     S21:    0.0880 S22:   -0.1049 S23:   -0.0274                     
REMARK   3     S31:   -0.1059 S32:    0.2861 S33:   -0.0388                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: { B|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   21.6309   49.6356   49.1176           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0851 T22:   -0.2003                                    
REMARK   3     T33:   -0.0698 T12:   -0.0398                                    
REMARK   3     T13:   -0.0120 T23:    0.0210                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    6.8739 L22:    6.1723                                    
REMARK   3     L33:   10.1187 L12:   -1.5191                                    
REMARK   3     L13:   -2.0960 L23:   -2.4538                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.1458 S12:   -0.1165 S13:   -0.1386                     
REMARK   3     S21:    0.9977 S22:   -0.0280 S23:    0.3630                     
REMARK   3     S31:   -0.7168 S32:   -0.6822 S33:    0.1739                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: { C|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):    9.6316   81.2069   35.3557           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.1927 T22:   -0.0303                                    
REMARK   3     T33:   -0.0899 T12:    0.0995                                    
REMARK   3     T13:   -0.1055 T23:   -0.0432                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:   11.3608 L22:    7.5027                                    
REMARK   3     L33:    6.5305 L12:   -1.5545                                    
REMARK   3     L13:   -3.5120 L23:    3.5784                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0703 S12:   -0.1436 S13:   -0.0102                     
REMARK   3     S21:    0.0337 S22:   -0.5271 S23:    0.7170                     
REMARK   3     S31:    0.1088 S32:   -1.0046 S33:    0.5974                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: { D|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   18.7187   73.4154   17.8052           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0833 T22:   -0.0442                                    
REMARK   3     T33:   -0.1175 T12:    0.0547                                    
REMARK   3     T13:   -0.1761 T23:    0.0798                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    6.3789 L22:    5.7210                                    
REMARK   3     L33:    4.1643 L12:    1.8397                                    
REMARK   3     L13:   -0.7965 L23:    0.2910                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0105 S12:    0.4070 S13:    0.3563                     
REMARK   3     S21:   -0.4770 S22:    0.0169 S23:    0.1492                     
REMARK   3     S31:   -0.1294 S32:   -0.5421 S33:   -0.0275                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: { E|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   -4.5968   50.4143   21.3241           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.1302 T22:    0.1749                                    
REMARK   3     T33:   -0.2630 T12:   -0.1261                                    
REMARK   3     T13:   -0.1484 T23:    0.1007                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:   10.3782 L22:    4.4974                                    
REMARK   3     L33:    5.4273 L12:    2.7911                                    
REMARK   3     L13:   -0.9993 L23:   -0.1778                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1497 S12:   -0.7925 S13:   -0.4333                     
REMARK   3     S21:    0.4386 S22:    0.2668 S23:   -0.1414                     
REMARK   3     S31:    0.2331 S32:   -0.7005 S33:   -0.4165                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: { F|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   20.2879   49.5647   -6.4608           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.3299 T22:    0.2715                                    
REMARK   3     T33:   -0.2336 T12:    0.0337                                    
REMARK   3     T13:   -0.1118 T23:   -0.2215                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:   12.0307 L22:    6.9369                                    
REMARK   3     L33:   12.8260 L12:   -4.7493                                    
REMARK   3     L13:    4.5296 L23:   -0.8198                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1134 S12:    0.4843 S13:    0.0129                     
REMARK   3     S21:    0.0814 S22:    0.0340 S23:   -0.1327                     
REMARK   3     S31:    0.5451 S32:    0.9732 S33:   -0.1474                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: { G|* }                                                
REMARK   3    ORIGIN FOR THE GROUP (A):   15.5185   49.8175   14.7925           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0032 T22:   -0.1322                                    
REMARK   3     T33:   -0.0684 T12:   -0.0719                                    
REMARK   3     T13:   -0.1682 T23:   -0.0891                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    6.1886 L22:    0.5887                                    
REMARK   3     L33:    9.2587 L12:    0.0546                                    
REMARK   3     L13:    2.1294 L23:    0.1829                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0053 S12:    0.2454 S13:   -0.7356                     
REMARK   3     S21:   -0.0504 S22:    0.0439 S23:   -0.0160                     
REMARK   3     S31:    0.6484 S32:   -0.1041 S33:   -0.0386                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4RBV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-SEP-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB087152.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 19-JUN-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97950                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XSCALE                             
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 19474                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.100                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.531                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.4                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : 0.07600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.6100                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.18                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.69400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.730                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS            
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 67.35                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.77                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2M POTASSIUM SULFATE, 2.2M AMMONIUM    
REMARK 280  SULFATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K            
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 2 3                            
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   Z,X,Y                                                   
REMARK 290       6555   Z,-X,-Y                                                 
REMARK 290       7555   -Z,-X,Y                                                 
REMARK 290       8555   -Z,X,-Y                                                 
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z,-X                                                 
REMARK 290      11555   Y,-Z,-X                                                 
REMARK 290      12555   -Y,-Z,X                                                 
REMARK 290      13555   X,Y+1/2,Z+1/2                                           
REMARK 290      14555   -X,-Y+1/2,Z+1/2                                         
REMARK 290      15555   -X,Y+1/2,-Z+1/2                                         
REMARK 290      16555   X,-Y+1/2,-Z+1/2                                         
REMARK 290      17555   Z,X+1/2,Y+1/2                                           
REMARK 290      18555   Z,-X+1/2,-Y+1/2                                         
REMARK 290      19555   -Z,-X+1/2,Y+1/2                                         
REMARK 290      20555   -Z,X+1/2,-Y+1/2                                         
REMARK 290      21555   Y,Z+1/2,X+1/2                                           
REMARK 290      22555   -Y,Z+1/2,-X+1/2                                         
REMARK 290      23555   Y,-Z+1/2,-X+1/2                                         
REMARK 290      24555   -Y,-Z+1/2,X+1/2                                         
REMARK 290      25555   X+1/2,Y,Z+1/2                                           
REMARK 290      26555   -X+1/2,-Y,Z+1/2                                         
REMARK 290      27555   -X+1/2,Y,-Z+1/2                                         
REMARK 290      28555   X+1/2,-Y,-Z+1/2                                         
REMARK 290      29555   Z+1/2,X,Y+1/2                                           
REMARK 290      30555   Z+1/2,-X,-Y+1/2                                         
REMARK 290      31555   -Z+1/2,-X,Y+1/2                                         
REMARK 290      32555   -Z+1/2,X,-Y+1/2                                         
REMARK 290      33555   Y+1/2,Z,X+1/2                                           
REMARK 290      34555   -Y+1/2,Z,-X+1/2                                         
REMARK 290      35555   Y+1/2,-Z,-X+1/2                                         
REMARK 290      36555   -Y+1/2,-Z,X+1/2                                         
REMARK 290      37555   X+1/2,Y+1/2,Z                                           
REMARK 290      38555   -X+1/2,-Y+1/2,Z                                         
REMARK 290      39555   -X+1/2,Y+1/2,-Z                                         
REMARK 290      40555   X+1/2,-Y+1/2,-Z                                         
REMARK 290      41555   Z+1/2,X+1/2,Y                                           
REMARK 290      42555   Z+1/2,-X+1/2,-Y                                         
REMARK 290      43555   -Z+1/2,-X+1/2,Y                                         
REMARK 290      44555   -Z+1/2,X+1/2,-Y                                         
REMARK 290      45555   Y+1/2,Z+1/2,X                                           
REMARK 290      46555   -Y+1/2,Z+1/2,-X                                         
REMARK 290      47555   Y+1/2,-Z+1/2,-X                                         
REMARK 290      48555   -Y+1/2,-Z+1/2,X                                         
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        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  13  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY1  14 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  14  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  14  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY1  15 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  15  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  15  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY1  16  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  16  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  16  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY1  17  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  17  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  17  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  18  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  18 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  18  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  19  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  19 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  19  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  20  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  20  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  21  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  21  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY3  21  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  22  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  22  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY3  22 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  23  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  23  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY3  23 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  24  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  24  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY3  24  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  25  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  25  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY1  37  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  37  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  37  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  38 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  38  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  38  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  39 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  39  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  39  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  40  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY2  40  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY3  40  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  41  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY2  41  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  41  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  42  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY2  42 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  42  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  43  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY2  43 -1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  43  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  44  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY2  44  1.000000  0.000000  0.000000      118.40000            
REMARK 290   SMTRY3  44  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  45  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  45  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY3  45  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  46  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  46  0.000000  0.000000  1.000000      118.40000            
REMARK 290   SMTRY3  46 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  47  0.000000  1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  47  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY3  47 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  48  0.000000 -1.000000  0.000000      118.40000            
REMARK 290   SMTRY2  48  0.000000  0.000000 -1.000000      118.40000            
REMARK 290   SMTRY3  48  1.000000  0.000000  0.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
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: HEXAMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 9560 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 20990 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -107.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
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  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   2  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1   3  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   3  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   3  1.000000  0.000000  0.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 10060 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 18890 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -102.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D                                  
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  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   2 -1.000000  0.000000  0.000000      118.40000            
REMARK 350   BIOMT3   2  0.000000 -1.000000  0.000000      118.40000            
REMARK 350   BIOMT1   3  0.000000 -1.000000  0.000000      118.40000            
REMARK 350   BIOMT2   3  0.000000  0.000000 -1.000000      118.40000            
REMARK 350   BIOMT3   3  1.000000  0.000000  0.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 10290 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 18990 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -97.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G                               
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 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A    -5                                                      
REMARK 465     HIS A    -4                                                      
REMARK 465     HIS A    -3                                                      
REMARK 465     HIS A    -2                                                      
REMARK 465     HIS A    -1                                                      
REMARK 465     HIS A     0                                                      
REMARK 465     HIS A     1                                                      
REMARK 465     GLN A     2                                                      
REMARK 465     GLN A    96                                                      
REMARK 465     MET B    -5                                                      
REMARK 465     HIS B    -4                                                      
REMARK 465     HIS B    -3                                                      
REMARK 465     HIS B    -2                                                      
REMARK 465     HIS B    -1                                                      
REMARK 465     HIS B     0                                                      
REMARK 465     SER B    95                                                      
REMARK 465     GLN B    96                                                      
REMARK 465     MET C    -5                                                      
REMARK 465     HIS C    -4                                                      
REMARK 465     HIS C    -3                                                      
REMARK 465     HIS C    -2                                                      
REMARK 465     HIS C    -1                                                      
REMARK 465     HIS C     0                                                      
REMARK 465     HIS C     1                                                      
REMARK 465     GLN C     2                                                      
REMARK 465     THR C    84                                                      
REMARK 465     ASP C    85                                                      
REMARK 465     VAL C    86                                                      
REMARK 465     GLU C    87                                                      
REMARK 465     LYS C    92                                                      
REMARK 465     GLY C    93                                                      
REMARK 465     ILE C    94                                                      
REMARK 465     SER C    95                                                      
REMARK 465     GLN C    96                                                      
REMARK 465     MET D    -5                                                      
REMARK 465     HIS D    -4                                                      
REMARK 465     HIS D    -3                                                      
REMARK 465     HIS D    -2                                                      
REMARK 465     HIS D    -1                                                      
REMARK 465     HIS D     0                                                      
REMARK 465     HIS D     1                                                      
REMARK 465     GLN D     2                                                      
REMARK 465     GLN D     3                                                      
REMARK 465     GLY D    93                                                      
REMARK 465     ILE D    94                                                      
REMARK 465     SER D    95                                                      
REMARK 465     GLN D    96                                                      
REMARK 465     MET E    -5                                                      
REMARK 465     HIS E    -4                                                      
REMARK 465     HIS E    -3                                                      
REMARK 465     HIS E    -2                                                      
REMARK 465     HIS E    -1                                                      
REMARK 465     HIS E     0                                                      
REMARK 465     HIS E     1                                                      
REMARK 465     GLN E     2                                                      
REMARK 465     GLN E     3                                                      
REMARK 465     ASP E    85                                                      
REMARK 465     VAL E    86                                                      
REMARK 465     GLY E    93                                                      
REMARK 465     ILE E    94                                                      
REMARK 465     SER E    95                                                      
REMARK 465     GLN E    96                                                      
REMARK 465     MET F    -5                                                      
REMARK 465     HIS F    -4                                                      
REMARK 465     HIS F    -3                                                      
REMARK 465     HIS F    -2                                                      
REMARK 465     HIS F    -1                                                      
REMARK 465     HIS F     0                                                      
REMARK 465     HIS F     1                                                      
REMARK 465     GLN F     2                                                      
REMARK 465     GLN F     3                                                      
REMARK 465     GLU F     4                                                      
REMARK 465     SER F    95                                                      
REMARK 465     GLN F    96                                                      
REMARK 465     MET G    -5                                                      
REMARK 465     HIS G    -4                                                      
REMARK 465     HIS G    -3                                                      
REMARK 465     HIS G    -2                                                      
REMARK 465     HIS G    -1                                                      
REMARK 465     HIS G     0                                                      
REMARK 465     HIS G     1                                                      
REMARK 465     GLN G     2                                                      
REMARK 465     LYS G    92                                                      
REMARK 465     GLY G    93                                                      
REMARK 465     ILE G    94                                                      
REMARK 465     SER G    95                                                      
REMARK 465     GLN G    96                                                      
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     LYS A  12    CG   CD   CE   NZ                                   
REMARK 470     MET A  31    CG   SD   CE                                        
REMARK 470     GLU A  36    CG   CD   OE1  OE2                                  
REMARK 470     ASP A  61    CG   OD1  OD2                                       
REMARK 470     GLU A  72    CG   CD   OE1  OE2                                  
REMARK 470     GLU A  87    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  88    CG   CD   CE   NZ                                   
REMARK 470     GLU B   4    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  12    CG   CD   CE   NZ                                   
REMARK 470     GLU B  36    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  37    CG   CD   CE   NZ                                   
REMARK 470     GLU B  72    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  74    CG   CD   CE   NZ                                   
REMARK 470     ASP B  85    CG   OD1  OD2                                       
REMARK 470     LYS B  88    CG   CD   CE   NZ                                   
REMARK 470     LYS B  92    CG   CD   CE   NZ                                   
REMARK 470     GLN C   3    CG   CD   OE1  NE2                                  
REMARK 470     LYS C  12    CG   CD   CE   NZ                                   
REMARK 470     SER C  27    OG                                                  
REMARK 470     ARG C  50    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C  72    CG   CD   OE1  OE2                                  
REMARK 470     ARG C  81    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS C  88    CG   CD   CE   NZ                                   
REMARK 470     LYS D  12    CG   CD   CE   NZ                                   
REMARK 470     ARG D  50    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP D  61    CG   OD1  OD2                                       
REMARK 470     LYS D  74    CG   CD   CE   NZ                                   
REMARK 470     ASP D  85    CG   OD1  OD2                                       
REMARK 470     GLU D  87    CG   CD   OE1  OE2                                  
REMARK 470     LYS D  88    CG   CD   CE   NZ                                   
REMARK 470     LYS D  92    CG   CD   CE   NZ                                   
REMARK 470     GLU E   4    CG   CD   OE1  OE2                                  
REMARK 470     LYS E  12    CG   CD   CE   NZ                                   
REMARK 470     GLU E  72    CG   CD   OE1  OE2                                  
REMARK 470     ARG E  81    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU E  87    CG   CD   OE1  OE2                                  
REMARK 470     LYS E  88    CG   CD   CE   NZ                                   
REMARK 470     LYS E  92    CG   CD   CE   NZ                                   
REMARK 470     LYS F  12    CG   CD   CE   NZ                                   
REMARK 470     GLU F  36    CG   CD   OE1  OE2                                  
REMARK 470     LYS F  37    CG   CD   CE   NZ                                   
REMARK 470     LYS F  74    CG   CD   CE   NZ                                   
REMARK 470     ARG F  81    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP F  85    CG   OD1  OD2                                       
REMARK 470     GLU F  87    CG   CD   OE1  OE2                                  
REMARK 470     LYS F  88    CG   CD   CE   NZ                                   
REMARK 470     LYS F  92    CG   CD   CE   NZ                                   
REMARK 470     GLN G   3    CG   CD   OE1  NE2                                  
REMARK 470     ARG G  50    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP G  52    CG   OD1  OD2                                       
REMARK 470     ASP G  61    CG   OD1  OD2                                       
REMARK 470     ASP G  85    CG   OD1  OD2                                       
REMARK 470     GLU G  87    CG   CD   OE1  OE2                                  
REMARK 470     LYS G  88    CG   CD   CE   NZ                                   
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  26       -4.40    -56.07                                   
REMARK 500    SER B  41       93.86     35.74                                   
REMARK 500    PRO B  82     -178.27    -68.21                                   
REMARK 500    ALA D  26       22.98    -65.12                                   
REMARK 500    SER E  41       -4.62    -58.39                                   
REMARK 500    SER F  41       13.96     59.11                                   
REMARK 500    ASP F  85      133.30    -32.37                                   
REMARK 500    ALA G  26        6.16    -61.93                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
REMARK 500                                                                      
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR                        
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE                                    
REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN                            
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE                   
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
REMARK 500                                                                      
REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
REMARK 500    HIS A  83        24.7      L          L   OUTSIDE RANGE           
REMARK 500    LYS A  92        24.7      L          L   OUTSIDE RANGE           
REMARK 500    HIS D  83        24.5      L          L   OUTSIDE RANGE           
REMARK 500    ILE E  38        24.1      L          L   OUTSIDE RANGE           
REMARK 500    LEU E  44        24.1      L          L   OUTSIDE RANGE           
REMARK 500    HIS E  83        24.5      L          L   OUTSIDE RANGE           
REMARK 500    HIS G  83        24.9      L          L   OUTSIDE RANGE           
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 SO4 A 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 D 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 G 101                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4RBT   RELATED DB: PDB                                   
REMARK 900 DIFFERENT PORE MUTANT                                                
REMARK 900 RELATED ID: 4RBU   RELATED DB: PDB                                   
REMARK 900 DIFFERENT PORE MUTANT                                                
DBREF  4RBV A    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
DBREF  4RBV B    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
DBREF  4RBV C    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
DBREF  4RBV D    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
DBREF  4RBV E    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
DBREF  4RBV F    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
DBREF  4RBV G    2    96  UNP    P0A1C7   PDUA_SALTY       2     94             
SEQADV 4RBV MET A   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS A   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS A   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS A   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS A   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS A    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS A    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA A   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY A   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY A   42  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV MET B   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS B   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS B   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS B   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS B   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS B    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS B    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA B   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY B   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY B   42  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV MET C   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS C   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS C   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS C   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS C   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS C    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS C    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA C   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY C   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY C   42  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV MET D   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS D   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS D   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS D   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS D   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS D    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS D    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA D   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY D   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY D   42  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV MET E   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS E   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS E   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS E   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS E   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS E    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS E    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA E   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY E   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY E   42  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV MET F   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS F   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS F   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS F   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS F   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS F    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS F    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA F   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY F   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY F   42  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV MET G   -5  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS G   -4  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS G   -3  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS G   -2  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS G   -1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS G    0  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV HIS G    1  UNP  P0A1C7              EXPRESSION TAG                 
SEQADV 4RBV ALA G   26  UNP  P0A1C7    LYS    26 ENGINEERED MUTATION            
SEQADV 4RBV GLY G   39  UNP  P0A1C7              INSERTION                      
SEQADV 4RBV GLY G   42  UNP  P0A1C7              INSERTION                      
SEQRES   1 A  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 A  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 A  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 A  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 A  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 A  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 A  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 A  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
SEQRES   1 B  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 B  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 B  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 B  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 B  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 B  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 B  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 B  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
SEQRES   1 C  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 C  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 C  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 C  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 C  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 C  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 C  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 C  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
SEQRES   1 D  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 D  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 D  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 D  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 D  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 D  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 D  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 D  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
SEQRES   1 E  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 E  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 E  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 E  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 E  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 E  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 E  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 E  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
SEQRES   1 F  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 F  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 F  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 F  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 F  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 F  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 F  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 F  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
SEQRES   1 G  102  MET HIS HIS HIS HIS HIS HIS GLN GLN GLU ALA LEU GLY          
SEQRES   2 G  102  MET VAL GLU THR LYS GLY LEU THR ALA ALA ILE GLU ALA          
SEQRES   3 G  102  ALA ASP ALA MET VAL ALA SER ALA ASN VAL MET LEU VAL          
SEQRES   4 G  102  GLY TYR GLU LYS ILE GLY GLY SER GLY GLY LEU VAL THR          
SEQRES   5 G  102  VAL ILE VAL ARG GLY ASP VAL GLY ALA VAL LYS ALA ALA          
SEQRES   6 G  102  THR ASP ALA GLY ALA ALA ALA ALA ARG ASN VAL GLY GLU          
SEQRES   7 G  102  VAL LYS ALA VAL HIS VAL ILE PRO ARG PRO HIS THR ASP          
SEQRES   8 G  102  VAL GLU LYS ILE LEU PRO LYS GLY ILE SER GLN                  
HET    SO4  A 101       5                                                       
HET    SO4  D 101       5                                                       
HET    SO4  G 101       5                                                       
HETNAM     SO4 SULFATE ION                                                      
FORMUL   8  SO4    3(O4 S 2-)                                                   
FORMUL  11  HOH   *2(H2 O)                                                      
HELIX    1   1 GLY A   13  ALA A   26  1                                  14    
HELIX    2   2 ASP A   52  GLY A   71  1                                  20    
HELIX    3   3 ASP A   85  LEU A   90  1                                   6    
HELIX    4   4 GLY B   13  ALA B   28  1                                  16    
HELIX    5   5 VAL B   53  ARG B   68  1                                  16    
HELIX    6   6 GLY C   13  ALA C   28  1                                  16    
HELIX    7   7 ASP C   52  ARG C   68  1                                  17    
HELIX    8   8 GLY D   13  ALA D   26  1                                  14    
HELIX    9   9 ASP D   52  GLY D   71  1                                  20    
HELIX   10  10 ASP D   85  LEU D   90  1                                   6    
HELIX   11  11 LEU E   14  ALA E   28  1                                  15    
HELIX   12  12 ASP E   52  ARG E   68  1                                  17    
HELIX   13  13 GLY F   13  ALA F   28  1                                  16    
HELIX   14  14 ASP F   52  ARG F   68  1                                  17    
HELIX   15  15 ASP F   85  LEU F   90  1                                   6    
HELIX   16  16 GLY G   13  ALA G   26  1                                  14    
HELIX   17  17 ASP G   52  ARG G   68  1                                  17    
HELIX   18  18 ASP G   85  LEU G   90  1                                   6    
SHEET    1   A 4 VAL A  30  GLY A  39  0                                        
SHEET    2   A 4 LEU A  44  GLY A  51 -1  O  LEU A  44   N  ILE A  38           
SHEET    3   A 4 ALA A   5  LYS A  12 -1  N  VAL A   9   O  VAL A  47           
SHEET    4   A 4 GLU A  72  ILE A  79 -1  O  LYS A  74   N  GLU A  10           
SHEET    1   B 4 MET B  31  GLY B  39  0                                        
SHEET    2   B 4 LEU B  44  ASP B  52 -1  O  LEU B  44   N  ILE B  38           
SHEET    3   B 4 GLU B   4  LYS B  12 -1  N  VAL B   9   O  VAL B  47           
SHEET    4   B 4 GLU B  72  ILE B  79 -1  O  ILE B  79   N  LEU B   6           
SHEET    1   C 4 MET C  31  GLY C  39  0                                        
SHEET    2   C 4 LEU C  44  GLY C  51 -1  O  LEU C  44   N  GLY C  39           
SHEET    3   C 4 ALA C   5  LYS C  12 -1  N  VAL C   9   O  VAL C  47           
SHEET    4   C 4 GLU C  72  ILE C  79 -1  O  ALA C  75   N  GLU C  10           
SHEET    1   D 4 VAL D  30  LYS D  37  0                                        
SHEET    2   D 4 LEU D  44  GLY D  51 -1  O  ARG D  50   N  MET D  31           
SHEET    3   D 4 ALA D   5  LYS D  12 -1  N  VAL D   9   O  VAL D  47           
SHEET    4   D 4 GLU D  72  ILE D  79 -1  O  LYS D  74   N  GLU D  10           
SHEET    1   E 4 MET E  31  GLY E  39  0                                        
SHEET    2   E 4 LEU E  44  GLY E  51 -1  O  LEU E  44   N  ILE E  38           
SHEET    3   E 4 ALA E   5  LYS E  12 -1  N  VAL E   9   O  VAL E  47           
SHEET    4   E 4 VAL E  73  ILE E  79 -1  O  ILE E  79   N  LEU E   6           
SHEET    1   F 4 MET F  31  LYS F  37  0                                        
SHEET    2   F 4 LEU F  44  ARG F  50 -1  O  ARG F  50   N  MET F  31           
SHEET    3   F 4 LEU F   6  LYS F  12 -1  N  VAL F   9   O  VAL F  47           
SHEET    4   F 4 GLU F  72  ILE F  79 -1  O  ALA F  75   N  GLU F  10           
SHEET    1   G 4 VAL G  30  GLY G  39  0                                        
SHEET    2   G 4 LEU G  44  GLY G  51 -1  O  LEU G  44   N  ILE G  38           
SHEET    3   G 4 ALA G   5  LYS G  12 -1  N  VAL G   9   O  VAL G  47           
SHEET    4   G 4 GLU G  72  ILE G  79 -1  O  LYS G  74   N  GLU G  10           
SITE     1 AC1  3 HIS A  77  VAL A  78  LYS G  57                               
SITE     1 AC2  3 LYS A  57  VAL D  76  HIS D  77                               
SITE     1 AC3  4 LYS D  57  VAL G  76  HIS G  77  VAL G  78                    
CRYST1  236.800  236.800  236.800  90.00  90.00  90.00 F 2 3       336          
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      0.004223  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.004223  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004223        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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