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Database: PDB
Entry: 2X64
LinkDB: 2X64
Original site: 2X64 
HEADER    TRANSFERASE                             14-FEB-10   2X64              
TITLE     GLUTATHIONE-S-TRANSFERASE FROM XYLELLA FASTIDIOSA                     
CAVEAT     2X64    GSH F 1224 HAS WRONG CHIRALITY AT ATOM  CA2                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLUTATHIONE-S-TRANSFERASE;                                 
COMPND   3 CHAIN: A, B, C, D, E, F;                                             
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA;                             
SOURCE   3 ORGANISM_TAXID: 160492;                                              
SOURCE   4 STRAIN: 9A5C;                                                        
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-28A                                   
KEYWDS    DETOXIFICATION ENZYME, TRANSFERASE,                                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.R.C.MUNIZ,N.C.RODRIGUES,L.BLEICHER,R.F.TRAVENSOLO,W.GARCIA          
REVDAT   2   07-DEC-11 2X64    1       CAVEAT REMARK HET    HETNAM              
REVDAT   2 2                           FORMUL HETATM VERSN                      
REVDAT   1   02-MAR-10 2X64    0                                                
JRNL        AUTH   N.C.RODRIGUES,J.R.C.MUNIZ,L.BLEICHER,W.GARCIA,               
JRNL        AUTH 2 R.F.TRAVENSOLO,A.P.ULIAN-DE-ARAUJO,E.CARRILHO,               
JRNL        AUTH 3 R.GARRATT                                                    
JRNL        TITL   STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF THE           
JRNL        TITL 2 RECOMBINANT GLUTATHIONE-S-TRANSFERASE FROM XYLELLA           
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : BUSTER 2.8.0                                         
REMARK   3   AUTHORS     : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,              
REMARK   3               : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK,              
REMARK   3               : MATTHEWS,TEN EYCK,TRONRUD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.67                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.0                            
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 53795                          
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)  : 0.1694                         
REMARK   3   R VALUE            (WORKING SET)  : 0.1667                         
REMARK   3   FREE R VALUE                      : 0.2191                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%)  : 5.10                           
REMARK   3   FREE R VALUE TEST SET COUNT       : 2746                           
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               : 20                       
REMARK   3   BIN RESOLUTION RANGE HIGH   (ANGSTROMS) : 2.30                     
REMARK   3   BIN RESOLUTION RANGE LOW    (ANGSTROMS) : 2.36                     
REMARK   3   BIN COMPLETENESS (WORKING+TEST)     (%) : NULL                     
REMARK   3   REFLECTIONS IN BIN (WORKING + TEST SET) : 3858                     
REMARK   3   BIN R VALUE        (WORKING + TEST SET) : 0.2145                   
REMARK   3   REFLECTIONS IN BIN        (WORKING SET) : 3680                     
REMARK   3   BIN R VALUE               (WORKING SET) : 0.2111                   
REMARK   3   BIN FREE R VALUE                        : 0.2825                   
REMARK   3   BIN FREE R VALUE TEST SET SIZE      (%) : 4.61                     
REMARK   3   BIN FREE R VALUE TEST SET COUNT         : 178                      
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            : 9595                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 126                                     
REMARK   3   SOLVENT ATOMS            : 725                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 39.20                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 40.30                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -7.9466                                              
REMARK   3    B22 (A**2) : -0.3152                                              
REMARK   3    B33 (A**2) : 8.2617                                               
REMARK   3    B12 (A**2) : -0.4394                                              
REMARK   3    B13 (A**2) : -0.7088                                              
REMARK   3    B23 (A**2) : 2.2971                                               
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT                    (A) : 0.272               
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) : NULL                
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      : 0.9414                        
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.9091                        
REMARK   3                                                                      
REMARK   3   NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15                    
REMARK   3   TERM                          COUNT    WEIGHT   FUNCTION.          
REMARK   3    BOND LENGTHS              : 9950   ; 2.00   ; HARMONIC            
REMARK   3    BOND ANGLES               : 13526  ; 2.00   ; HARMONIC            
REMARK   3    TORSION ANGLES            : 3402   ; 2.00   ; SINUSOIDAL          
REMARK   3    TRIGONAL CARBON PLANES    : 227    ; 2.00   ; HARMONIC            
REMARK   3    GENERAL PLANES            : 1490   ; 5.00   ; HARMONIC            
REMARK   3    ISOTROPIC THERMAL FACTORS : 9950   ; 20.00  ; HARMONIC            
REMARK   3    BAD NON-BONDED CONTACTS   : 6      ; 5.00   ; SEMIHARMONIC        
REMARK   3    IMPROPER TORSIONS         : NULL   ; NULL   ; NULL                
REMARK   3    PSEUDOROTATION ANGLES     : NULL   ; NULL   ; NULL                
REMARK   3    CHIRAL IMPROPER TORSION   : 1234   ; 5.00   ; 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   : 12066  ; 4.00   ; SEMIHARMONIC        
REMARK   3                                                                      
REMARK   3   RMS DEVIATIONS FROM IDEAL VALUES.                                  
REMARK   3    BOND LENGTHS                       (A) : 0.010                    
REMARK   3    BOND ANGLES                  (DEGREES) : 1.06                     
REMARK   3    PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 2.81                     
REMARK   3    OTHER TORSION ANGLES         (DEGREES) : 18.93                    
REMARK   3                                                                      
REMARK   3  TLS DETAILS.                                                        
REMARK   3   NUMBER OF TLS GROUPS  : 24                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: (A1 - A74)                                             
REMARK   3    ORIGIN FOR THE GROUP (A):   -6.2684   -7.7449   44.9617           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0649 T22:   -0.2086                                    
REMARK   3     T33:   -0.1821 T12:    0.0361                                    
REMARK   3     T13:    0.0694 T23:   -0.0354                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.6591 L22:    5.2750                                    
REMARK   3     L33:    4.7764 L12:    0.9568                                    
REMARK   3     L13:   -2.0746 L23:    2.2300                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1329 S12:   -0.4479 S13:    0.2478                     
REMARK   3     S21:    0.4482 S22:   -0.2040 S23:    0.4666                     
REMARK   3     S31:   -0.3819 S32:   -0.3101 S33:    0.0711                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: (A75 - A116)                                           
REMARK   3    ORIGIN FOR THE GROUP (A):    3.8056  -15.2373   35.5641           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.1719 T22:   -0.1602                                    
REMARK   3     T33:   -0.0861 T12:   -0.0439                                    
REMARK   3     T13:   -0.0255 T23:    0.0294                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.3114 L22:   -0.0195                                    
REMARK   3     L33:    0.7740 L12:    0.1642                                    
REMARK   3     L13:   -0.1582 L23:    0.5537                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0504 S12:   -0.1003 S13:    0.0620                     
REMARK   3     S21:   -0.0081 S22:   -0.0443 S23:    0.0796                     
REMARK   3     S31:   -0.4847 S32:   -0.0777 S33:   -0.0061                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: (A117 - A148)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):   18.4767  -16.5388   38.6450           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.1736 T22:   -0.1647                                    
REMARK   3     T33:    0.0034 T12:   -0.0615                                    
REMARK   3     T13:   -0.0483 T23:    0.0435                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.1671 L22:    1.0758                                    
REMARK   3     L33:    1.5061 L12:   -0.4284                                    
REMARK   3     L13:   -0.3412 L23:   -1.7732                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1298 S12:    0.1607 S13:    0.0428                     
REMARK   3     S21:   -0.2359 S22:   -0.0148 S23:   -0.3384                     
REMARK   3     S31:   -0.1248 S32:    0.2473 S33:   -0.1149                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: (A149 - A205)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):    9.0803   -3.8110   34.9023           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.1978 T22:   -0.2032                                    
REMARK   3     T33:   -0.1192 T12:   -0.0670                                    
REMARK   3     T13:   -0.0233 T23:    0.0724                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.8840 L22:    3.0051                                    
REMARK   3     L33:    1.8525 L12:    0.5916                                    
REMARK   3     L13:    0.4798 L23:    0.2099                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1099 S12:    0.0368 S13:    0.3792                     
REMARK   3     S21:    0.1497 S22:   -0.1119 S23:   -0.2373                     
REMARK   3     S31:   -0.6400 S32:    0.2815 S33:    0.0019                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: (B1 - B32)                                             
REMARK   3    ORIGIN FOR THE GROUP (A):   -0.1738  -35.5213   27.0112           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0071 T22:   -0.0367                                    
REMARK   3     T33:   -0.0888 T12:   -0.0178                                    
REMARK   3     T13:   -0.0562 T23:    0.0032                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.8506 L22:    4.8959                                    
REMARK   3     L33:    5.6968 L12:   -1.8923                                    
REMARK   3     L13:   -2.4839 L23:    1.0132                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0303 S12:    0.2873 S13:    0.0260                     
REMARK   3     S21:    0.1172 S22:   -0.1648 S23:   -0.2135                     
REMARK   3     S31:   -0.0506 S32:    0.2441 S33:    0.1344                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: (B33 - B107)                                           
REMARK   3    ORIGIN FOR THE GROUP (A):   -1.4101  -25.4749   31.1099           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0004 T22:   -0.1201                                    
REMARK   3     T33:   -0.1129 T12:   -0.0094                                    
REMARK   3     T13:   -0.0268 T23:    0.0405                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.4213 L22:    2.5949                                    
REMARK   3     L33:    1.9798 L12:   -0.3146                                    
REMARK   3     L13:    0.0320 L23:    0.4149                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1538 S12:    0.1026 S13:    0.2293                     
REMARK   3     S21:   -0.1397 S22:   -0.1706 S23:    0.0435                     
REMARK   3     S31:   -0.2125 S32:   -0.2628 S33:    0.0168                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: (B108 - B148)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):    6.2451  -30.1901   51.3167           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.1536 T22:   -0.1691                                    
REMARK   3     T33:   -0.1077 T12:   -0.1003                                    
REMARK   3     T13:    0.0126 T23:   -0.0055                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    8.3278 L22:    1.4638                                    
REMARK   3     L33:    2.9906 L12:    0.0816                                    
REMARK   3     L13:    1.0387 L23:    0.3376                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0118 S12:   -0.0781 S13:    0.1166                     
REMARK   3     S21:    0.2847 S22:   -0.1517 S23:    0.0420                     
REMARK   3     S31:    0.0314 S32:   -0.1076 S33:    0.1399                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: (B149 - B205)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):   -5.8789  -37.3633   41.4291           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0239 T22:   -0.0134                                    
REMARK   3     T33:   -0.0935 T12:   -0.0364                                    
REMARK   3     T13:    0.0154 T23:   -0.0108                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.8167 L22:    2.5257                                    
REMARK   3     L33:    0.2349 L12:   -0.0110                                    
REMARK   3     L13:   -0.3599 L23:    0.4984                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0589 S12:    0.0238 S13:   -0.1791                     
REMARK   3     S21:    0.1518 S22:   -0.1145 S23:    0.3767                     
REMARK   3     S31:    0.0723 S32:   -0.0351 S33:    0.0556                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: (C1 - C32)                                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -15.3182    0.4374  -17.2673           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0431 T22:   -0.0455                                    
REMARK   3     T33:   -0.1026 T12:    0.0390                                    
REMARK   3     T13:    0.0044 T23:   -0.0309                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:   -1.3272 L22:    4.5754                                    
REMARK   3     L33:    1.9380 L12:    2.9117                                    
REMARK   3     L13:    1.5956 L23:    0.4588                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0464 S12:   -0.0894 S13:    0.0196                     
REMARK   3     S21:   -0.2010 S22:    0.1500 S23:   -0.1062                     
REMARK   3     S31:    0.2009 S32:    0.1737 S33:   -0.1036                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: (C33 - C107)                                           
REMARK   3    ORIGIN FOR THE GROUP (A):  -16.4830   -7.4384   -9.8200           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0277 T22:   -0.0746                                    
REMARK   3     T33:   -0.1358 T12:    0.0511                                    
REMARK   3     T13:   -0.0157 T23:    0.0104                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.7651 L22:    1.9557                                    
REMARK   3     L33:    2.8742 L12:    0.3255                                    
REMARK   3     L13:   -0.3618 L23:    0.1311                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0118 S12:   -0.1111 S13:   -0.0168                     
REMARK   3     S21:   -0.0769 S22:    0.0049 S23:    0.0114                     
REMARK   3     S31:    0.2161 S32:    0.0483 S33:    0.0069                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: (C108 - C148)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -12.3241  -24.3391  -23.1483           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.2689 T22:   -0.1231                                    
REMARK   3     T33:   -0.1785 T12:    0.0900                                    
REMARK   3     T13:    0.0786 T23:    0.0205                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    7.3596 L22:    1.3823                                    
REMARK   3     L33:    2.0250 L12:   -0.0868                                    
REMARK   3     L13:   -0.8323 L23:    0.4962                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.1346 S12:    0.0901 S13:   -0.0379                     
REMARK   3     S21:   -0.3106 S22:    0.1158 S23:    0.0535                     
REMARK   3     S31:    0.5575 S32:    0.2179 S33:    0.0188                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: (C149 - C205)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -22.8433  -11.3739  -24.5190           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0761 T22:   -0.0566                                    
REMARK   3     T33:   -0.1501 T12:   -0.0233                                    
REMARK   3     T13:   -0.0096 T23:   -0.0325                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.5397 L22:    1.2907                                    
REMARK   3     L33:    2.8894 L12:   -0.1900                                    
REMARK   3     L13:   -0.4931 L23:   -0.0287                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.1046 S12:    0.1819 S13:    0.0210                     
REMARK   3     S21:   -0.3012 S22:    0.0057 S23:   -0.0433                     
REMARK   3     S31:    0.1640 S32:   -0.1246 S33:    0.0990                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: (D1 - D74)                                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -22.1377  -27.1700    0.9696           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0479 T22:   -0.1559                                    
REMARK   3     T33:   -0.1722 T12:    0.0120                                    
REMARK   3     T13:    0.0143 T23:    0.0248                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    3.8679 L22:    3.9546                                    
REMARK   3     L33:    3.1711 L12:    0.9332                                    
REMARK   3     L13:    1.8326 L23:   -2.0854                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0845 S12:    0.1832 S13:   -0.3947                     
REMARK   3     S21:   -0.2355 S22:    0.0092 S23:    0.1591                     
REMARK   3     S31:    0.5389 S32:   -0.1415 S33:   -0.0937                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: (D75 - D116)                                           
REMARK   3    ORIGIN FOR THE GROUP (A):  -11.3818  -16.2776   -2.8375           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0068 T22:   -0.0325                                    
REMARK   3     T33:   -0.1080 T12:    0.0212                                    
REMARK   3     T13:    0.0115 T23:    0.0148                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.9102 L22:    2.6701                                    
REMARK   3     L33:    2.9298 L12:   -1.8972                                    
REMARK   3     L13:   -1.4441 L23:    0.8639                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.1186 S12:   -0.1569 S13:   -0.1624                     
REMARK   3     S21:   -0.0688 S22:   -0.0988 S23:    0.0832                     
REMARK   3     S31:    0.2906 S32:    0.1352 S33:    0.2174                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: (D117 - D148)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):    2.7431  -19.7819   -6.5043           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0084 T22:    0.0792                                    
REMARK   3     T33:   -0.0788 T12:    0.1744                                    
REMARK   3     T13:    0.0938 T23:    0.0743                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.8458 L22:    0.8398                                    
REMARK   3     L33:    4.0759 L12:    0.9423                                    
REMARK   3     L13:    1.4368 L23:   -1.1636                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1184 S12:   -0.0347 S13:    0.0242                     
REMARK   3     S21:   -0.3678 S22:   -0.3041 S23:   -0.5149                     
REMARK   3     S31:    0.2621 S32:    0.5857 S33:    0.1857                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: (D149 - D205)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):   -5.4761  -21.1754    7.2225           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0311 T22:    0.0053                                    
REMARK   3     T33:   -0.1348 T12:    0.1092                                    
REMARK   3     T13:    0.0068 T23:    0.0273                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.0918 L22:    0.6130                                    
REMARK   3     L33:    1.6049 L12:   -0.1393                                    
REMARK   3     L13:   -0.1529 L23:   -0.6460                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.1331 S12:   -0.2408 S13:    0.0134                     
REMARK   3     S21:    0.1719 S22:   -0.0338 S23:   -0.0894                     
REMARK   3     S31:    0.2625 S32:    0.3388 S33:    0.1668                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: (E1 - E50)                                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -31.5229   23.1548    4.1911           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0224 T22:   -0.0034                                    
REMARK   3     T33:   -0.1248 T12:    0.1037                                    
REMARK   3     T13:   -0.0842 T23:   -0.0795                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.7176 L22:    6.5049                                    
REMARK   3     L33:    5.6335 L12:   -1.0546                                    
REMARK   3     L13:   -1.1193 L23:    0.0990                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.1812 S12:   -0.0846 S13:    0.1666                     
REMARK   3     S21:   -0.2425 S22:   -0.2502 S23:    0.3732                     
REMARK   3     S31:   -0.6585 S32:   -0.2957 S33:    0.0690                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    SELECTION: (E51 - E107)                                           
REMARK   3    ORIGIN FOR THE GROUP (A):  -28.7837   14.2904   15.9567           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0166 T22:   -0.0340                                    
REMARK   3     T33:   -0.1072 T12:    0.0024                                    
REMARK   3     T13:    0.0393 T23:   -0.0502                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    0.8649 L22:    3.6752                                    
REMARK   3     L33:    2.4841 L12:   -0.6275                                    
REMARK   3     L13:    0.2329 L23:    1.3388                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.1760 S12:    0.0586 S13:   -0.0491                     
REMARK   3     S21:    0.2838 S22:   -0.0907 S23:    0.5045                     
REMARK   3     S31:    0.3881 S32:   -0.2659 S33:    0.2667                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    SELECTION: (E108 - E148)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):   -8.0250   22.8626   13.7393           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.1277 T22:    0.0006                                    
REMARK   3     T33:   -0.1052 T12:    0.0317                                    
REMARK   3     T13:   -0.0189 T23:   -0.0872                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.4439 L22:    7.8102                                    
REMARK   3     L33:    1.9801 L12:    1.6915                                    
REMARK   3     L13:   -0.4842 L23:    1.1999                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:    0.0493 S12:    0.0336 S13:    0.0618                     
REMARK   3     S21:   -0.1131 S22:    0.2688 S23:   -0.5046                     
REMARK   3     S31:    0.0127 S32:    0.3320 S33:   -0.3181                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    SELECTION: (E149 - E205)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -17.4806   10.9428    5.8358           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0031 T22:   -0.0294                                    
REMARK   3     T33:   -0.0688 T12:    0.0529                                    
REMARK   3     T13:   -0.0179 T23:   -0.0197                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.6312 L22:    2.4652                                    
REMARK   3     L33:    3.1001 L12:   -0.1324                                    
REMARK   3     L13:   -0.0800 L23:    1.8370                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0506 S12:    0.0372 S13:    0.0495                     
REMARK   3     S21:   -0.1024 S22:    0.0347 S23:   -0.0142                     
REMARK   3     S31:    0.0760 S32:    0.1168 S33:    0.0159                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    SELECTION: (F1 - F50)                                             
REMARK   3    ORIGIN FOR THE GROUP (A):  -18.9451   16.6529   37.2745           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.1668 T22:   -0.1236                                    
REMARK   3     T33:   -0.2740 T12:    0.1910                                    
REMARK   3     T13:    0.0109 T23:   -0.0469                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    6.0020 L22:    5.8818                                    
REMARK   3     L33:    5.0928 L12:   -2.3787                                    
REMARK   3     L13:    1.1012 L23:    0.8924                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0982 S12:   -0.0044 S13:   -0.3419                     
REMARK   3     S21:    0.3765 S22:    0.1154 S23:   -0.3925                     
REMARK   3     S31:    0.8954 S32:    0.5648 S33:   -0.0173                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    SELECTION: (F51 - F105)                                           
REMARK   3    ORIGIN FOR THE GROUP (A):  -30.2873   16.9195   27.3177           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0840 T22:   -0.1269                                    
REMARK   3     T33:   -0.1529 T12:   -0.0309                                    
REMARK   3     T13:    0.1090 T23:   -0.0471                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    2.5282 L22:    2.8790                                    
REMARK   3     L33:    3.5630 L12:   -0.8519                                    
REMARK   3     L13:   -1.1356 L23:    1.8030                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.2460 S12:   -0.0780 S13:   -0.2442                     
REMARK   3     S21:    0.6020 S22:   -0.1895 S23:    0.3919                     
REMARK   3     S31:    0.8843 S32:   -0.0841 S33:    0.4355                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    SELECTION: (F106 - F148)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -19.0822   36.8807   22.5093           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:   -0.0810 T22:   -0.0713                                    
REMARK   3     T33:   -0.1083 T12:    0.0278                                    
REMARK   3     T13:   -0.0204 T23:   -0.0242                                    
REMARK   3    L TENSOR (                                                        
REMARK   3     L11:    7.0047 L22:    2.4545                                    
REMARK   3     L33:    2.6079 L12:    1.6680                                    
REMARK   3     L13:   -1.8038 L23:    0.9310                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0540 S12:    0.3020 S13:    0.1928                     
REMARK   3     S21:   -0.0636 S22:    0.1384 S23:   -0.0895                     
REMARK   3     S31:   -0.2210 S32:   -0.0074 S33:   -0.0844                     
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    SELECTION: (F149 - F205)                                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -29.6075   31.3390   34.6478           
REMARK   3    T TENSOR                                                          
REMARK   3     T11:    0.0531 T22:   -0.0046                                    
REMARK   3     T33:   -0.0691 T12:   -0.0129                                    
REMARK   3     T13:    0.0184 T23:   -0.0623                                    
REMARK   3    L TENSOR                                                          
REMARK   3     L11:    1.2469 L22:    1.8297                                    
REMARK   3     L33:    1.6732 L12:   -1.9790                                    
REMARK   3     L13:   -0.3463 L23:    0.6570                                    
REMARK   3    S TENSOR                                                          
REMARK   3     S11:   -0.0548 S12:   -0.1142 S13:    0.1267                     
REMARK   3     S21:    0.4983 S22:   -0.1338 S23:    0.2345                     
REMARK   3     S31:    0.1420 S32:   -0.1433 S33:    0.1886                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: IDEAL-DIST CONTACT TERM CONTACT           
REMARK   3   SETUP. RESIDUE TYPES WITHOUT CCP4 ATOM TYPE IN LIBRARY=GTT CL.     
REMARK   3   NUMBER OF ATOMS WITH PROPER CCP4 ATOM TYPE=10320.                  
REMARK   3   NUMBER WITH APPROX DEFAULT CCP4 ATOM TYPE=120.                     
REMARK   3   NUMBER TREATED BY BAD NON-BONDED CONTACTS=6.                       
REMARK   4                                                                      
REMARK   4 2X64 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-FEB-10.                  
REMARK 100 THE PDBE ID CODE IS EBI-42900.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-NOV-06                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
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          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54179                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : NULL                               
REMARK 200  DETECTOR MANUFACTURER          : MAR345DTB                          
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 53809                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.30                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 46.35                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.9                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.5                               
REMARK 200  DATA REDUNDANCY                : 2.1                                
REMARK 200  R MERGE                    (I) : 0.09                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.90                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 92.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.1                                
REMARK 200  R MERGE FOR SHELL          (I) : 0.42                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.90                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 49.48                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4780 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16760 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -52.2 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                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4940 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16490 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -47.4 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                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4950 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16370 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -50.6 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F                                  
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 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     HIS A    -1                                                      
REMARK 465     HIS D    -1                                                      
REMARK 465     HIS E    -1                                                      
REMARK 465     HIS E     0                                                      
REMARK 465     HIS F    -1                                                      
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   2    CG   CD   CE   NZ                                   
REMARK 470     GLN A  28    CG   CD   OE1  NE2                                  
REMARK 470     HIS A  32    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLN A  33    CG   CD   OE1  NE2                                  
REMARK 470     LYS A  36    CE   NZ                                             
REMARK 470     GLU A  39    CG   CD   OE1  OE2                                  
REMARK 470     GLN A 131    CG   CD   OE1  NE2                                  
REMARK 470     ASN A 148    CG   OD1  ND2                                       
REMARK 470     LYS A 170    CE   NZ                                             
REMARK 470     LYS A 171    CG   CD   CE   NZ                                   
REMARK 470     ILE A 205    CG1  CG2  CD1                                       
REMARK 470     LYS B  36    CD   CE   NZ                                        
REMARK 470     GLU B  39    CG   CD   OE1  OE2                                  
REMARK 470     ASP B  56    CG   OD1  OD2                                       
REMARK 470     LYS B  86    CE   NZ                                             
REMARK 470     HIS B 146    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS C  36    CD   CE   NZ                                        
REMARK 470     GLU C  39    CG   CD   OE1  OE2                                  
REMARK 470     GLU C  76    CG   CD   OE1  OE2                                  
REMARK 470     GLN C 117    CG   CD   OE1  NE2                                  
REMARK 470     ARG C 124    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     HIS D   0    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLN D  33    CG   CD   OE1  NE2                                  
REMARK 470     LYS D  36    CD   CE   NZ                                        
REMARK 470     GLU D  39    CG   CD   OE1  OE2                                  
REMARK 470     GLU E  39    CG   CD   OE1  OE2                                  
REMARK 470     LYS E 171    CG   CD   CE   NZ                                   
REMARK 470     HIS F   0    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS F   2    CE   NZ                                             
REMARK 470     SER F  24    OG                                                  
REMARK 470     GLN F  33    CG   CD   OE1  NE2                                  
REMARK 470     LYS F  36    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    GLN A 117      -46.81     69.51                                   
REMARK 500    ASN A 152       19.66     56.08                                   
REMARK 500    LEU A 179       71.22   -102.17                                   
REMARK 500    GLN B 117      -41.40     68.54                                   
REMARK 500    ASN B 152       18.64     55.62                                   
REMARK 500    LEU B 179       71.37   -102.47                                   
REMARK 500    GLN C 117      -45.44     69.27                                   
REMARK 500    LEU C 179       73.56   -103.21                                   
REMARK 500    GLN D 117      -52.32     68.32                                   
REMARK 500    ASN D 152       19.11     57.01                                   
REMARK 500    LEU D 179       70.37   -102.13                                   
REMARK 500    GLN E 117      -48.95     71.35                                   
REMARK 500    ASN E 152       19.45     55.51                                   
REMARK 500    LEU E 179       70.95   -100.77                                   
REMARK 500    SER F 178       -0.71     80.65                                   
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    VAL A 172        24.3      L          L   OUTSIDE RANGE           
REMARK 500    HIS B  -1        24.9      L          L   OUTSIDE RANGE           
REMARK 500    THR C  60        24.6      L          L   OUTSIDE RANGE           
REMARK 500    VAL C 172        24.4      L          L   OUTSIDE RANGE           
REMARK 500    ILE C 205        21.7      L          L   OUTSIDE RANGE           
REMARK 500    VAL D 172        23.8      L          L   OUTSIDE RANGE           
REMARK 500    THR E  60        24.9      L          L   OUTSIDE RANGE           
REMARK 500    VAL E 172        24.6      L          L   OUTSIDE RANGE           
REMARK 500    THR F  60        24.6      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 GSH A1224                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GSH B1224                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GSH C1224                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GSH D1224                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GSH E1224                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GSH F1224                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL A1206                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL C1206                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL E1206                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL B1206                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL D1206                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL F1206                 
DBREF  2X64 A   -1     0  PDB    2X64     2X64            -1      0             
DBREF  2X64 A    1   205  UNP    Q9PE18   Q9PE18_XYLFA     1    205             
DBREF  2X64 B   -1     0  PDB    2X64     2X64            -1      0             
DBREF  2X64 B    1   205  UNP    Q9PE18   Q9PE18_XYLFA     1    205             
DBREF  2X64 C   -1     0  PDB    2X64     2X64            -1      0             
DBREF  2X64 C    1   205  UNP    Q9PE18   Q9PE18_XYLFA     1    205             
DBREF  2X64 D   -1     0  PDB    2X64     2X64            -1      0             
DBREF  2X64 D    1   205  UNP    Q9PE18   Q9PE18_XYLFA     1    205             
DBREF  2X64 E   -1     0  PDB    2X64     2X64            -1      0             
DBREF  2X64 E    1   205  UNP    Q9PE18   Q9PE18_XYLFA     1    205             
DBREF  2X64 F   -1     0  PDB    2X64     2X64            -1      0             
DBREF  2X64 F    1   205  UNP    Q9PE18   Q9PE18_XYLFA     1    205             
SEQRES   1 A  207  HIS HIS MET LYS LEU TYR ILE MET PRO GLY ALA CYS SER          
SEQRES   2 A  207  LEU ALA ASP HIS ILE LEU LEU ARG TRP SER GLY SER SER          
SEQRES   3 A  207  PHE ASP LEU GLN PHE LEU ASP HIS GLN SER MET LYS ALA          
SEQRES   4 A  207  PRO GLU TYR LEU ALA LEU ASN PRO SER GLY ALA VAL PRO          
SEQRES   5 A  207  ALA LEU GLN VAL GLY ASP TRP VAL LEU THR GLN ASN ALA          
SEQRES   6 A  207  ALA ILE LEU ASN TYR ILE THR ASP ILE ALA PRO ALA GLU          
SEQRES   7 A  207  ARG GLY LEU SER GLY ASP GLY SER LEU LYS ALA ARG ALA          
SEQRES   8 A  207  GLU ILE ASN ARG TRP ILE ALA PHE SER ASN SER ASP VAL          
SEQRES   9 A  207  HIS PRO MET TYR TRP ALA LEU PHE GLY GLY THR ALA TYR          
SEQRES  10 A  207  LEU GLN ASP PRO GLN MET ILE ALA ARG SER GLN ASP ASN          
SEQRES  11 A  207  ALA ARG GLN LYS LEU ARG VAL LEU TYR GLN ARG ALA ASP          
SEQRES  12 A  207  ALA HIS LEU LYS HIS HIS ASN TRP LEU ALA ASN GLY GLN          
SEQRES  13 A  207  ARG SER GLY ALA ASP ALA TYR LEU TYR VAL THR LEU ARG          
SEQRES  14 A  207  TRP ALA LYS LYS VAL GLY VAL ASP LEU SER SER LEU ASP          
SEQRES  15 A  207  ALA LEU SER ALA PHE PHE GLU ARG MET GLU ALA ASP PRO          
SEQRES  16 A  207  GLY VAL GLN ALA ALA LEU GLN ALA GLU GLY LEU ILE              
SEQRES   1 B  207  HIS HIS MET LYS LEU TYR ILE MET PRO GLY ALA CYS SER          
SEQRES   2 B  207  LEU ALA ASP HIS ILE LEU LEU ARG TRP SER GLY SER SER          
SEQRES   3 B  207  PHE ASP LEU GLN PHE LEU ASP HIS GLN SER MET LYS ALA          
SEQRES   4 B  207  PRO GLU TYR LEU ALA LEU ASN PRO SER GLY ALA VAL PRO          
SEQRES   5 B  207  ALA LEU GLN VAL GLY ASP TRP VAL LEU THR GLN ASN ALA          
SEQRES   6 B  207  ALA ILE LEU ASN TYR ILE THR ASP ILE ALA PRO ALA GLU          
SEQRES   7 B  207  ARG GLY LEU SER GLY ASP GLY SER LEU LYS ALA ARG ALA          
SEQRES   8 B  207  GLU ILE ASN ARG TRP ILE ALA PHE SER ASN SER ASP VAL          
SEQRES   9 B  207  HIS PRO MET TYR TRP ALA LEU PHE GLY GLY THR ALA TYR          
SEQRES  10 B  207  LEU GLN ASP PRO GLN MET ILE ALA ARG SER GLN ASP ASN          
SEQRES  11 B  207  ALA ARG GLN LYS LEU ARG VAL LEU TYR GLN ARG ALA ASP          
SEQRES  12 B  207  ALA HIS LEU LYS HIS HIS ASN TRP LEU ALA ASN GLY GLN          
SEQRES  13 B  207  ARG SER GLY ALA ASP ALA TYR LEU TYR VAL THR LEU ARG          
SEQRES  14 B  207  TRP ALA LYS LYS VAL GLY VAL ASP LEU SER SER LEU ASP          
SEQRES  15 B  207  ALA LEU SER ALA PHE PHE GLU ARG MET GLU ALA ASP PRO          
SEQRES  16 B  207  GLY VAL GLN ALA ALA LEU GLN ALA GLU GLY LEU ILE              
SEQRES   1 C  207  HIS HIS MET LYS LEU TYR ILE MET PRO GLY ALA CYS SER          
SEQRES   2 C  207  LEU ALA ASP HIS ILE LEU LEU ARG TRP SER GLY SER SER          
SEQRES   3 C  207  PHE ASP LEU GLN PHE LEU ASP HIS GLN SER MET LYS ALA          
SEQRES   4 C  207  PRO GLU TYR LEU ALA LEU ASN PRO SER GLY ALA VAL PRO          
SEQRES   5 C  207  ALA LEU GLN VAL GLY ASP TRP VAL LEU THR GLN ASN ALA          
SEQRES   6 C  207  ALA ILE LEU ASN TYR ILE THR ASP ILE ALA PRO ALA GLU          
SEQRES   7 C  207  ARG GLY LEU SER GLY ASP GLY SER LEU LYS ALA ARG ALA          
SEQRES   8 C  207  GLU ILE ASN ARG TRP ILE ALA PHE SER ASN SER ASP VAL          
SEQRES   9 C  207  HIS PRO MET TYR TRP ALA LEU PHE GLY GLY THR ALA TYR          
SEQRES  10 C  207  LEU GLN ASP PRO GLN MET ILE ALA ARG SER GLN ASP ASN          
SEQRES  11 C  207  ALA ARG GLN LYS LEU ARG VAL LEU TYR GLN ARG ALA ASP          
SEQRES  12 C  207  ALA HIS LEU LYS HIS HIS ASN TRP LEU ALA ASN GLY GLN          
SEQRES  13 C  207  ARG SER GLY ALA ASP ALA TYR LEU TYR VAL THR LEU ARG          
SEQRES  14 C  207  TRP ALA LYS LYS VAL GLY VAL ASP LEU SER SER LEU ASP          
SEQRES  15 C  207  ALA LEU SER ALA PHE PHE GLU ARG MET GLU ALA ASP PRO          
SEQRES  16 C  207  GLY VAL GLN ALA ALA LEU GLN ALA GLU GLY LEU ILE              
SEQRES   1 D  207  HIS HIS MET LYS LEU TYR ILE MET PRO GLY ALA CYS SER          
SEQRES   2 D  207  LEU ALA ASP HIS ILE LEU LEU ARG TRP SER GLY SER SER          
SEQRES   3 D  207  PHE ASP LEU GLN PHE LEU ASP HIS GLN SER MET LYS ALA          
SEQRES   4 D  207  PRO GLU TYR LEU ALA LEU ASN PRO SER GLY ALA VAL PRO          
SEQRES   5 D  207  ALA LEU GLN VAL GLY ASP TRP VAL LEU THR GLN ASN ALA          
SEQRES   6 D  207  ALA ILE LEU ASN TYR ILE THR ASP ILE ALA PRO ALA GLU          
SEQRES   7 D  207  ARG GLY LEU SER GLY ASP GLY SER LEU LYS ALA ARG ALA          
SEQRES   8 D  207  GLU ILE ASN ARG TRP ILE ALA PHE SER ASN SER ASP VAL          
SEQRES   9 D  207  HIS PRO MET TYR TRP ALA LEU PHE GLY GLY THR ALA TYR          
SEQRES  10 D  207  LEU GLN ASP PRO GLN MET ILE ALA ARG SER GLN ASP ASN          
SEQRES  11 D  207  ALA ARG GLN LYS LEU ARG VAL LEU TYR GLN ARG ALA ASP          
SEQRES  12 D  207  ALA HIS LEU LYS HIS HIS ASN TRP LEU ALA ASN GLY GLN          
SEQRES  13 D  207  ARG SER GLY ALA ASP ALA TYR LEU TYR VAL THR LEU ARG          
SEQRES  14 D  207  TRP ALA LYS LYS VAL GLY VAL ASP LEU SER SER LEU ASP          
SEQRES  15 D  207  ALA LEU SER ALA PHE PHE GLU ARG MET GLU ALA ASP PRO          
SEQRES  16 D  207  GLY VAL GLN ALA ALA LEU GLN ALA GLU GLY LEU ILE              
SEQRES   1 E  207  HIS HIS MET LYS LEU TYR ILE MET PRO GLY ALA CYS SER          
SEQRES   2 E  207  LEU ALA ASP HIS ILE LEU LEU ARG TRP SER GLY SER SER          
SEQRES   3 E  207  PHE ASP LEU GLN PHE LEU ASP HIS GLN SER MET LYS ALA          
SEQRES   4 E  207  PRO GLU TYR LEU ALA LEU ASN PRO SER GLY ALA VAL PRO          
SEQRES   5 E  207  ALA LEU GLN VAL GLY ASP TRP VAL LEU THR GLN ASN ALA          
SEQRES   6 E  207  ALA ILE LEU ASN TYR ILE THR ASP ILE ALA PRO ALA GLU          
SEQRES   7 E  207  ARG GLY LEU SER GLY ASP GLY SER LEU LYS ALA ARG ALA          
SEQRES   8 E  207  GLU ILE ASN ARG TRP ILE ALA PHE SER ASN SER ASP VAL          
SEQRES   9 E  207  HIS PRO MET TYR TRP ALA LEU PHE GLY GLY THR ALA TYR          
SEQRES  10 E  207  LEU GLN ASP PRO GLN MET ILE ALA ARG SER GLN ASP ASN          
SEQRES  11 E  207  ALA ARG GLN LYS LEU ARG VAL LEU TYR GLN ARG ALA ASP          
SEQRES  12 E  207  ALA HIS LEU LYS HIS HIS ASN TRP LEU ALA ASN GLY GLN          
SEQRES  13 E  207  ARG SER GLY ALA ASP ALA TYR LEU TYR VAL THR LEU ARG          
SEQRES  14 E  207  TRP ALA LYS LYS VAL GLY VAL ASP LEU SER SER LEU ASP          
SEQRES  15 E  207  ALA LEU SER ALA PHE PHE GLU ARG MET GLU ALA ASP PRO          
SEQRES  16 E  207  GLY VAL GLN ALA ALA LEU GLN ALA GLU GLY LEU ILE              
SEQRES   1 F  207  HIS HIS MET LYS LEU TYR ILE MET PRO GLY ALA CYS SER          
SEQRES   2 F  207  LEU ALA ASP HIS ILE LEU LEU ARG TRP SER GLY SER SER          
SEQRES   3 F  207  PHE ASP LEU GLN PHE LEU ASP HIS GLN SER MET LYS ALA          
SEQRES   4 F  207  PRO GLU TYR LEU ALA LEU ASN PRO SER GLY ALA VAL PRO          
SEQRES   5 F  207  ALA LEU GLN VAL GLY ASP TRP VAL LEU THR GLN ASN ALA          
SEQRES   6 F  207  ALA ILE LEU ASN TYR ILE THR ASP ILE ALA PRO ALA GLU          
SEQRES   7 F  207  ARG GLY LEU SER GLY ASP GLY SER LEU LYS ALA ARG ALA          
SEQRES   8 F  207  GLU ILE ASN ARG TRP ILE ALA PHE SER ASN SER ASP VAL          
SEQRES   9 F  207  HIS PRO MET TYR TRP ALA LEU PHE GLY GLY THR ALA TYR          
SEQRES  10 F  207  LEU GLN ASP PRO GLN MET ILE ALA ARG SER GLN ASP ASN          
SEQRES  11 F  207  ALA ARG GLN LYS LEU ARG VAL LEU TYR GLN ARG ALA ASP          
SEQRES  12 F  207  ALA HIS LEU LYS HIS HIS ASN TRP LEU ALA ASN GLY GLN          
SEQRES  13 F  207  ARG SER GLY ALA ASP ALA TYR LEU TYR VAL THR LEU ARG          
SEQRES  14 F  207  TRP ALA LYS LYS VAL GLY VAL ASP LEU SER SER LEU ASP          
SEQRES  15 F  207  ALA LEU SER ALA PHE PHE GLU ARG MET GLU ALA ASP PRO          
SEQRES  16 F  207  GLY VAL GLN ALA ALA LEU GLN ALA GLU GLY LEU ILE              
HET    GSH  A1224      20                                                       
HET    GSH  B1224      20                                                       
HET    GSH  C1224      20                                                       
HET    GSH  D1224      20                                                       
HET    GSH  E1224      20                                                       
HET    GSH  F1224      20                                                       
HET     CL  A1206       1                                                       
HET     CL  C1206       1                                                       
HET     CL  E1206       1                                                       
HET     CL  B1206       1                                                       
HET     CL  D1206       1                                                       
HET     CL  F1206       1                                                       
HETNAM     GSH GLUTATHIONE                                                      
HETNAM      CL CHLORIDE ION                                                     
FORMUL   7  GSH    6(C10 H17 N3 O6 S)                                           
FORMUL   8   CL    6(CL 1-)                                                     
FORMUL   9  HOH   *725(H2 O)                                                    
HELIX    1   1 SER A   11  GLY A   22  1                                  12    
HELIX    2   2 ALA A   37  ALA A   42  1                                   6    
HELIX    3   3 GLN A   61  ALA A   73  1                                  13    
HELIX    4   4 PRO A   74  GLY A   78  5                                   5    
HELIX    5   5 SER A   84  ASP A  101  1                                  18    
HELIX    6   6 ASP A  101  TYR A  106  1                                   6    
HELIX    7   7 TRP A  107  GLY A  111  5                                   5    
HELIX    8   8 THR A  113  GLN A  117  5                                   5    
HELIX    9   9 ASP A  118  LYS A  145  1                                  28    
HELIX   10  10 SER A  156  GLY A  173  1                                  18    
HELIX   11  11 LEU A  179  ALA A  191  1                                  13    
HELIX   12  12 ASP A  192  GLU A  202  1                                  11    
HELIX   13  13 SER B   11  GLY B   22  1                                  12    
HELIX   14  14 ALA B   37  ALA B   42  1                                   6    
HELIX   15  15 GLN B   61  ALA B   73  1                                  13    
HELIX   16  16 PRO B   74  GLY B   78  5                                   5    
HELIX   17  17 SER B   84  ASP B  101  1                                  18    
HELIX   18  18 ASP B  101  TYR B  106  1                                   6    
HELIX   19  19 TRP B  107  GLY B  111  5                                   5    
HELIX   20  20 THR B  113  GLN B  117  5                                   5    
HELIX   21  21 ASP B  118  LYS B  145  1                                  28    
HELIX   22  22 SER B  156  GLY B  173  1                                  18    
HELIX   23  23 LEU B  179  ALA B  191  1                                  13    
HELIX   24  24 ASP B  192  GLU B  202  1                                  11    
HELIX   25  25 CYS C   10  GLY C   22  1                                  13    
HELIX   26  26 ALA C   37  ASN C   44  1                                   8    
HELIX   27  27 GLN C   61  ALA C   73  1                                  13    
HELIX   28  28 PRO C   74  GLY C   78  5                                   5    
HELIX   29  29 SER C   84  ASP C  101  1                                  18    
HELIX   30  30 ASP C  101  TYR C  106  1                                   6    
HELIX   31  31 TRP C  107  PHE C  110  5                                   4    
HELIX   32  32 THR C  113  GLN C  117  5                                   5    
HELIX   33  33 ASP C  118  LYS C  145  1                                  28    
HELIX   34  34 SER C  156  GLY C  173  1                                  18    
HELIX   35  35 LEU C  179  ASP C  192  1                                  14    
HELIX   36  36 ASP C  192  GLU C  202  1                                  11    
HELIX   37  37 SER D   11  GLY D   22  1                                  12    
HELIX   38  38 ALA D   37  ALA D   42  1                                   6    
HELIX   39  39 GLN D   61  ALA D   73  1                                  13    
HELIX   40  40 PRO D   74  GLY D   78  5                                   5    
HELIX   41  41 SER D   84  ASP D  101  1                                  18    
HELIX   42  42 ASP D  101  TYR D  106  1                                   6    
HELIX   43  43 TRP D  107  GLY D  111  5                                   5    
HELIX   44  44 THR D  113  GLN D  117  5                                   5    
HELIX   45  45 ASP D  118  LYS D  145  1                                  28    
HELIX   46  46 SER D  156  GLY D  173  1                                  18    
HELIX   47  47 LEU D  179  ALA D  191  1                                  13    
HELIX   48  48 ASP D  192  GLU D  202  1                                  11    
HELIX   49  49 SER E   11  GLY E   22  1                                  12    
HELIX   50  50 ALA E   37  ALA E   42  1                                   6    
HELIX   51  51 GLN E   61  ALA E   73  1                                  13    
HELIX   52  52 PRO E   74  GLY E   78  5                                   5    
HELIX   53  53 SER E   84  ASP E  101  1                                  18    
HELIX   54  54 ASP E  101  TYR E  106  1                                   6    
HELIX   55  55 TRP E  107  GLY E  111  5                                   5    
HELIX   56  56 THR E  113  GLN E  117  5                                   5    
HELIX   57  57 ASP E  118  LYS E  145  1                                  28    
HELIX   58  58 SER E  156  GLY E  173  1                                  18    
HELIX   59  59 LEU E  179  ALA E  191  1                                  13    
HELIX   60  60 ASP E  192  GLU E  202  1                                  11    
HELIX   61  61 SER F   11  GLY F   22  1                                  12    
HELIX   62  62 ALA F   37  ALA F   42  1                                   6    
HELIX   63  63 GLN F   61  ALA F   73  1                                  13    
HELIX   64  64 PRO F   74  GLY F   78  5                                   5    
HELIX   65  65 SER F   84  ASP F  101  1                                  18    
HELIX   66  66 ASP F  101  TYR F  106  1                                   6    
HELIX   67  67 TRP F  107  GLY F  111  5                                   5    
HELIX   68  68 THR F  113  GLN F  117  5                                   5    
HELIX   69  69 ASP F  118  LYS F  145  1                                  28    
HELIX   70  70 SER F  156  GLY F  173  1                                  18    
HELIX   71  71 LEU F  179  ALA F  191  1                                  13    
HELIX   72  72 ASP F  192  GLU F  202  1                                  11    
SHEET    1  AA 4 PHE A  25  PHE A  29  0                                        
SHEET    2  AA 4 MET A   1  ILE A   5  1  O  MET A   1   N  ASP A  26           
SHEET    3  AA 4 ALA A  51  VAL A  54 -1  O  ALA A  51   N  TYR A   4           
SHEET    4  AA 4 TRP A  57  LEU A  59 -1  O  TRP A  57   N  VAL A  54           
SHEET    1  BA 4 ASP B  26  PHE B  29  0                                        
SHEET    2  BA 4 MET B   1  ILE B   5  1  O  MET B   1   N  ASP B  26           
SHEET    3  BA 4 ALA B  51  VAL B  54 -1  O  ALA B  51   N  TYR B   4           
SHEET    4  BA 4 TRP B  57  LEU B  59 -1  O  TRP B  57   N  VAL B  54           
SHEET    1  CA 4 ASP C  26  PHE C  29  0                                        
SHEET    2  CA 4 MET C   1  ILE C   5  1  O  MET C   1   N  ASP C  26           
SHEET    3  CA 4 ALA C  51  VAL C  54 -1  O  ALA C  51   N  TYR C   4           
SHEET    4  CA 4 TRP C  57  LEU C  59 -1  O  TRP C  57   N  VAL C  54           
SHEET    1  DA 4 PHE D  25  PHE D  29  0                                        
SHEET    2  DA 4 MET D   1  ILE D   5  1  O  MET D   1   N  ASP D  26           
SHEET    3  DA 4 ALA D  51  VAL D  54 -1  O  ALA D  51   N  TYR D   4           
SHEET    4  DA 4 TRP D  57  LEU D  59 -1  O  TRP D  57   N  VAL D  54           
SHEET    1  EA 4 ASP E  26  PHE E  29  0                                        
SHEET    2  EA 4 LYS E   2  ILE E   5  1  O  LEU E   3   N  GLN E  28           
SHEET    3  EA 4 ALA E  51  VAL E  54 -1  O  ALA E  51   N  TYR E   4           
SHEET    4  EA 4 TRP E  57  LEU E  59 -1  O  TRP E  57   N  VAL E  54           
SHEET    1  FA 4 PHE F  25  PHE F  29  0                                        
SHEET    2  FA 4 MET F   1  ILE F   5  1  O  MET F   1   N  ASP F  26           
SHEET    3  FA 4 ALA F  51  VAL F  54 -1  O  ALA F  51   N  TYR F   4           
SHEET    4  FA 4 TRP F  57  LEU F  59 -1  O  TRP F  57   N  VAL F  54           
CISPEP   1 VAL A   49    PRO A   50          0         0.27                     
CISPEP   2 VAL B   49    PRO B   50          0        -1.05                     
CISPEP   3 VAL C   49    PRO C   50          0        -1.90                     
CISPEP   4 VAL D   49    PRO D   50          0        -0.15                     
CISPEP   5 VAL E   49    PRO E   50          0         1.28                     
CISPEP   6 VAL F   49    PRO F   50          0        -0.55                     
SITE     1 AC1 14 CYS A  10  MET A  35  ALA A  48  VAL A  49                    
SITE     2 AC1 14 PRO A  50  GLN A  61  ASN A  62  ASN A  99                    
SITE     3 AC1 14 HIS A 103  HOH A2015  HOH A2045  HOH A2093                    
SITE     4 AC1 14 SER B 100  ASP B 101                                          
SITE     1 AC2 14 SER A 100  ASP A 101  CYS B  10  MET B  35                    
SITE     2 AC2 14 GLY B  47  ALA B  48  VAL B  49  PRO B  50                    
SITE     3 AC2 14 GLN B  61  ASN B  62  ASN B  99  HIS B 103                    
SITE     4 AC2 14 HOH B2120  HOH B2121                                          
SITE     1 AC3 12 CYS C  10  HIS C  32  MET C  35  ALA C  48                    
SITE     2 AC3 12 VAL C  49  PRO C  50  GLN C  61  ASN C  62                    
SITE     3 AC3 12 ASN C  99  HIS C 103  SER D 100  ASP D 101                    
SITE     1 AC4 13 SER C 100  ASP C 101  CYS D  10  HIS D  32                    
SITE     2 AC4 13 MET D  35  ALA D  48  VAL D  49  PRO D  50                    
SITE     3 AC4 13 GLN D  61  ASN D  62  ASN D  99  HIS D 103                    
SITE     4 AC4 13 TYR D 161                                                     
SITE     1 AC5 15 CYS E  10  HIS E  32  MET E  35  ALA E  48                    
SITE     2 AC5 15 VAL E  49  PRO E  50  GLN E  61  ASN E  62                    
SITE     3 AC5 15 ASN E  99  HIS E 103  HOH E2028  HOH E2055                    
SITE     4 AC5 15 HOH E2109  SER F 100  ASP F 101                               
SITE     1 AC6 16 SER E 100  ASP E 101  CYS F  10  HIS F  32                    
SITE     2 AC6 16 MET F  35  ALA F  48  VAL F  49  PRO F  50                    
SITE     3 AC6 16 THR F  60  GLN F  61  ASN F  62  ASN F  99                    
SITE     4 AC6 16 HIS F 103  TYR F 161  HOH F2028  HOH F2134                    
SITE     1 AC7  1 HOH B2029                                                     
SITE     1 AC8  1 HOH D2030                                                     
SITE     1 AC9  2 ARG E  93  HOH F2018                                          
SITE     1 BC1  1 GLN A  61                                                     
SITE     1 BC2  2 HOH C2036  ARG D  93                                          
SITE     1 BC3  3 THR E  60  HOH E2030  ARG F  93                               
CRYST1   47.670   87.890   90.780 116.53  99.33  94.49 P 1           6          
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      0.020978  0.001647  0.004767        0.00000                         
SCALE2      0.000000  0.011413  0.006027        0.00000                         
SCALE3      0.000000  0.000000  0.012624        0.00000                         
MTRIX1   1  0.181600 -0.367300  0.912200       -0.98190    1                    
MTRIX2   1 -0.350800 -0.890800 -0.288800      -31.18450    1                    
MTRIX3   1-41.298800-27.016300 42.766400       37.11640    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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