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Database: PDB
Entry: 4ALJ
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HEADER    OXIDOREDUCTASE                          04-MAR-12   4ALJ              
TITLE     CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP              
TITLE    2 AND 5-CHLORO-2-PHENOXYPHENOL                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH];            
COMPND   3 CHAIN: A, B, C, D, E, F, G, H;                                       
COMPND   4 SYNONYM: ENR;                                                        
COMPND   5 EC: 1.3.1.10;                                                        
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
SOURCE   3 ORGANISM_TAXID: 1280;                                                
SOURCE   4 STRAIN: N315;                                                        
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PETM-11                                    
KEYWDS    ENOYL-ACP REDUCTASE, OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/       
KEYWDS   2 REDUCTASE SUPERFAMILY, FATTY ACID BIOSYNTHESIS, LIPID SYNTHESIS,     
KEYWDS   3 SAFABI                                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.SCHIEBEL,A.CHANG,P.J.TONGE,C.KISKER                                 
REVDAT   2   23-MAY-12 4ALJ    1       JRNL                                     
REVDAT   1   09-MAY-12 4ALJ    0                                                
JRNL        AUTH   J.SCHIEBEL,A.CHANG,H.LU,M.V.BAXTER,P.J.TONGE,C.KISKER        
JRNL        TITL   STAPHYLOCOCCUS AUREUS FABI: INHIBITION, SUBSTRATE            
JRNL        TITL 2 RECOGNITION AND POTENTIAL IMPLICATIONS FOR IN VIVO           
JRNL        TITL 3 ESSENTIALITY                                                 
JRNL        REF    STRUCTURE                     V.  20   802 2012              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   22579249                                                     
JRNL        DOI    10.1016/J.STR.2012.03.013                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0109                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 49.11                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NONE                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.45                          
REMARK   3   NUMBER OF REFLECTIONS             : 128388                         
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) : 0.16089                         
REMARK   3   R VALUE            (WORKING SET) : 0.15782                         
REMARK   3   FREE R VALUE                     : 0.21932                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.0                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 6804                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.200                        
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.257                        
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 9267                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 91.84                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.239                        
REMARK   3   BIN FREE R VALUE SET COUNT          : 473                          
REMARK   3   BIN FREE R VALUE                    : 0.290                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 16132                                   
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 584                                     
REMARK   3   SOLVENT ATOMS            :   1222                                  
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 47.725                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 4.30                                                 
REMARK   3    B22 (A**2) : -2.06                                                
REMARK   3    B33 (A**2) : -1.17                                                
REMARK   3    B12 (A**2) : 0.01                                                 
REMARK   3    B13 (A**2) : 1.64                                                 
REMARK   3    B23 (A**2) : -0.65                                                
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.203         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.187         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.137         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 11.220        
REMARK   3                                                                      
REMARK   3  CORRELATION COEFFICIENTS.                                           
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.968                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.937                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A): 16997 ; 0.012 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 23021 ; 1.788 ; 2.007       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  2126 ; 7.124 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   762 ;40.515 ;24.908       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  2979 ;17.175 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):   102 ;19.181 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  2579 ; 0.095 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 12722 ; 0.014 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2): 10367 ; 1.413 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 16607 ; 2.196 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  6630 ; 3.939 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  6394 ; 5.683 ; 4.500       
REMARK   3                                                                      
REMARK   3  ANISOTROPIC THERMAL FACTOR RESTRAINTS.   COUNT   RMS    WEIGHT      
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 54                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     3        A    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.2325  32.7624  20.3349              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0848 T22:   0.2331                                     
REMARK   3      T33:   0.0605 T12:   0.0331                                     
REMARK   3      T13:  -0.0455 T23:   0.0432                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8047 L22:   2.8688                                     
REMARK   3      L33:   1.7496 L12:   1.1925                                     
REMARK   3      L13:   1.0247 L23:   0.9060                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1573 S12:  -0.1504 S13:  -0.0292                       
REMARK   3      S21:   0.1976 S22:   0.1641 S23:  -0.1027                       
REMARK   3      S31:   0.1253 S32:   0.4196 S33:  -0.0068                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    30        A    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.4183  29.0369  27.0365              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1572 T22:   0.2161                                     
REMARK   3      T33:   0.0827 T12:   0.0404                                     
REMARK   3      T13:  -0.0505 T23:   0.0829                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0234 L22:   2.9498                                     
REMARK   3      L33:   3.3727 L12:   0.7546                                     
REMARK   3      L13:  -0.7096 L23:   0.1397                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0872 S12:  -0.5687 S13:  -0.1281                       
REMARK   3      S21:   0.3640 S22:  -0.0698 S23:  -0.0449                       
REMARK   3      S31:   0.2914 S32:   0.3321 S33:   0.1569                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    62        A   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.3115  38.5424  22.4697              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1231 T22:   0.1839                                     
REMARK   3      T33:   0.1071 T12:   0.0038                                     
REMARK   3      T13:   0.0177 T23:   0.0319                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6479 L22:   1.5193                                     
REMARK   3      L33:   1.9113 L12:  -0.0934                                     
REMARK   3      L13:  -0.0994 L23:  -0.0804                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0214 S12:  -0.2378 S13:  -0.0813                       
REMARK   3      S21:   0.2500 S22:   0.0618 S23:   0.0163                       
REMARK   3      S31:  -0.0089 S32:  -0.0711 S33:  -0.0404                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   105        A   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.2712  42.2009  11.4483              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1206 T22:   0.0915                                     
REMARK   3      T33:   0.1161 T12:   0.0050                                     
REMARK   3      T13:   0.0015 T23:   0.0222                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5567 L22:   0.9384                                     
REMARK   3      L33:   1.7088 L12:  -0.0449                                     
REMARK   3      L13:   0.7760 L23:   0.2129                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0022 S12:  -0.1042 S13:   0.0341                       
REMARK   3      S21:   0.0713 S22:   0.0769 S23:   0.0558                       
REMARK   3      S31:  -0.1252 S32:   0.0136 S33:  -0.0790                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   155        A   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.8176  44.1503   8.3587              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0982 T22:   0.1054                                     
REMARK   3      T33:   0.0863 T12:  -0.0141                                     
REMARK   3      T13:  -0.0041 T23:  -0.0110                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0402 L22:   3.0486                                     
REMARK   3      L33:   1.2114 L12:   0.6003                                     
REMARK   3      L13:  -0.1975 L23:   0.4713                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0192 S12:  -0.1003 S13:   0.0191                       
REMARK   3      S21:  -0.0116 S22:   0.0856 S23:  -0.0040                       
REMARK   3      S31:  -0.1639 S32:   0.0792 S33:  -0.1048                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   194        A   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.8695  23.6657   1.1954              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1218 T22:   0.1014                                     
REMARK   3      T33:   0.1656 T12:  -0.0453                                     
REMARK   3      T13:  -0.0238 T23:   0.0251                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5502 L22:   3.0330                                     
REMARK   3      L33:  11.3287 L12:  -0.2991                                     
REMARK   3      L13:  -2.9487 L23:   3.2182                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1775 S12:   0.3824 S13:  -0.2474                       
REMARK   3      S21:   0.0538 S22:   0.0673 S23:  -0.0327                       
REMARK   3      S31:   0.4692 S32:  -0.7395 S33:   0.1102                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   215        A   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4292  35.9517   4.1789              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0409 T22:   0.1700                                     
REMARK   3      T33:   0.1324 T12:  -0.0293                                     
REMARK   3      T13:  -0.0294 T23:   0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6508 L22:   1.3630                                     
REMARK   3      L33:   0.9157 L12:  -0.2132                                     
REMARK   3      L13:   0.3796 L23:   0.2284                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0384 S12:  -0.1242 S13:  -0.0714                       
REMARK   3      S21:  -0.0987 S22:   0.0500 S23:  -0.1228                       
REMARK   3      S31:  -0.1199 S32:   0.1892 S33:  -0.0884                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     3        B    29                          
REMARK   3    ORIGIN FOR THE GROUP (A): -22.7426  58.3861 -11.5683              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1462 T22:   0.1672                                     
REMARK   3      T33:   0.1539 T12:   0.1320                                     
REMARK   3      T13:  -0.0250 T23:   0.0544                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7060 L22:   1.9772                                     
REMARK   3      L33:   2.5586 L12:   0.1213                                     
REMARK   3      L13:  -0.6801 L23:   0.3294                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0834 S12:   0.2279 S13:   0.1586                       
REMARK   3      S21:  -0.1896 S22:  -0.0173 S23:   0.1264                       
REMARK   3      S31:  -0.3927 S32:  -0.4118 S33:  -0.0661                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    30        B    61                          
REMARK   3    ORIGIN FOR THE GROUP (A): -30.0806  60.6453  -7.5755              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1093 T22:   0.2604                                     
REMARK   3      T33:   0.2333 T12:   0.1538                                     
REMARK   3      T13:  -0.0483 T23:   0.0169                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9253 L22:   3.4217                                     
REMARK   3      L33:   4.1674 L12:   0.1211                                     
REMARK   3      L13:  -1.2643 L23:   1.0450                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2565 S12:   0.4492 S13:   0.1315                       
REMARK   3      S21:  -0.1689 S22:  -0.0804 S23:   0.4054                       
REMARK   3      S31:  -0.4692 S32:  -0.7062 S33:  -0.1761                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    62        B   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -24.6662  49.9738   0.3231              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0882 T22:   0.1587                                     
REMARK   3      T33:   0.1790 T12:   0.0732                                     
REMARK   3      T13:  -0.0372 T23:   0.0184                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4424 L22:   1.9632                                     
REMARK   3      L33:   1.6736 L12:  -0.0262                                     
REMARK   3      L13:  -0.3208 L23:   0.5624                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0268 S12:  -0.0410 S13:  -0.0124                       
REMARK   3      S21:  -0.0197 S22:  -0.0813 S23:   0.2393                       
REMARK   3      S31:  -0.2575 S32:  -0.4154 S33:   0.0545                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   105        B   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.2239  47.8640   2.2596              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0907 T22:   0.0464                                     
REMARK   3      T33:   0.1299 T12:   0.0447                                     
REMARK   3      T13:   0.0083 T23:   0.0154                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7601 L22:   1.0115                                     
REMARK   3      L33:   1.8881 L12:  -0.1317                                     
REMARK   3      L13:  -0.1599 L23:   0.3431                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0142 S12:   0.0478 S13:  -0.0044                       
REMARK   3      S21:   0.0758 S22:   0.0487 S23:   0.1538                       
REMARK   3      S31:  -0.1210 S32:  -0.1302 S33:  -0.0345                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   155        B   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.7188  47.0891  -3.7118              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1224 T22:   0.1059                                     
REMARK   3      T33:   0.1563 T12:   0.0112                                     
REMARK   3      T13:   0.0015 T23:   0.0312                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8867 L22:   0.9285                                     
REMARK   3      L33:   1.4750 L12:  -0.8801                                     
REMARK   3      L13:  -0.1663 L23:  -0.0988                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0704 S12:   0.0212 S13:  -0.0180                       
REMARK   3      S21:  -0.0486 S22:   0.0092 S23:   0.0644                       
REMARK   3      S31:  -0.1576 S32:  -0.1413 S33:  -0.0796                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   194        B   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.6636  68.1695  -0.3538              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4247 T22:   0.1550                                     
REMARK   3      T33:   0.2861 T12:   0.0484                                     
REMARK   3      T13:   0.0111 T23:  -0.0690                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  17.0885 L22:   3.5172                                     
REMARK   3      L33:   7.4000 L12:   6.9314                                     
REMARK   3      L13:  -4.8552 L23:  -1.1604                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4082 S12:  -1.1426 S13:   0.9783                       
REMARK   3      S21:   0.1254 S22:  -0.2478 S23:   0.3441                       
REMARK   3      S31:  -0.7442 S32:   0.4626 S33:  -0.1604                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   215        B   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.7155  56.6865 -13.3061              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2115 T22:   0.1212                                     
REMARK   3      T33:   0.1114 T12:   0.0226                                     
REMARK   3      T13:   0.0263 T23:   0.0089                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7515 L22:   1.7468                                     
REMARK   3      L33:   1.2082 L12:   0.3155                                     
REMARK   3      L13:  -0.2871 L23:   0.2777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1358 S12:   0.1337 S13:   0.0215                       
REMARK   3      S21:  -0.1206 S22:  -0.0572 S23:   0.0078                       
REMARK   3      S31:  -0.3000 S32:   0.0323 S33:  -0.0786                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C     3        C    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.6083  50.0116 -34.5691              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1600 T22:   0.2272                                     
REMARK   3      T33:   0.0545 T12:   0.0604                                     
REMARK   3      T13:  -0.0166 T23:   0.0359                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3011 L22:   1.1655                                     
REMARK   3      L33:   2.4303 L12:  -0.4904                                     
REMARK   3      L13:  -1.5220 L23:   0.9742                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1534 S12:   0.5511 S13:   0.0574                       
REMARK   3      S21:  -0.0114 S22:  -0.0880 S23:   0.1498                       
REMARK   3      S31:  -0.1397 S32:  -0.2966 S33:  -0.0654                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    30        C    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.4840  49.6704 -42.7036              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2440 T22:   0.2872                                     
REMARK   3      T33:   0.0198 T12:   0.0099                                     
REMARK   3      T13:  -0.0046 T23:   0.0650                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3934 L22:   4.4969                                     
REMARK   3      L33:   3.4240 L12:  -2.7476                                     
REMARK   3      L13:  -0.8081 L23:   1.8902                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1582 S12:   0.7085 S13:   0.2331                       
REMARK   3      S21:  -0.4959 S22:  -0.1592 S23:  -0.0965                       
REMARK   3      S31:  -0.4344 S32:  -0.3334 S33:   0.0010                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    62        C   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.4740  52.2682 -34.6867              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2270 T22:   0.1940                                     
REMARK   3      T33:   0.0470 T12:  -0.0272                                     
REMARK   3      T13:   0.0826 T23:   0.0342                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1087 L22:   1.8540                                     
REMARK   3      L33:   2.2772 L12:  -0.3417                                     
REMARK   3      L13:   0.1420 L23:  -0.0458                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0078 S12:   0.3564 S13:   0.0794                       
REMARK   3      S21:  -0.3038 S22:   0.0342 S23:  -0.1370                       
REMARK   3      S31:  -0.2479 S32:   0.1567 S33:  -0.0420                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   105        C   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.5757  48.8315 -23.7637              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1543 T22:   0.1456                                     
REMARK   3      T33:   0.0159 T12:  -0.0778                                     
REMARK   3      T13:   0.0284 T23:  -0.0394                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0827 L22:   2.7315                                     
REMARK   3      L33:   1.4736 L12:  -1.0322                                     
REMARK   3      L13:   0.3509 L23:  -0.7915                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1017 S12:   0.1755 S13:   0.0318                       
REMARK   3      S21:  -0.1774 S22:  -0.0292 S23:  -0.0394                       
REMARK   3      S31:  -0.2187 S32:   0.1687 S33:  -0.0725                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   155        C   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.0267  50.7333 -19.5054              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1780 T22:   0.1241                                     
REMARK   3      T33:   0.0488 T12:  -0.0341                                     
REMARK   3      T13:   0.0156 T23:   0.0211                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4179 L22:   1.2868                                     
REMARK   3      L33:   1.0147 L12:  -0.4831                                     
REMARK   3      L13:  -0.0536 L23:   1.0437                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0180 S12:   0.1882 S13:   0.0056                       
REMARK   3      S21:  -0.0431 S22:  -0.0112 S23:   0.0103                       
REMARK   3      S31:  -0.1053 S32:   0.0178 S33:  -0.0068                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   194        C   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.4534  30.3375 -23.7852              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1870 T22:   0.0844                                     
REMARK   3      T33:   0.1735 T12:   0.0253                                     
REMARK   3      T13:   0.0154 T23:  -0.0675                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.2729 L22:   5.3374                                     
REMARK   3      L33:   8.9455 L12:   2.8243                                     
REMARK   3      L13:  -5.0580 L23:  -3.5749                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.7559 S12:   0.2749 S13:  -0.7036                       
REMARK   3      S21:  -0.4468 S22:   0.0055 S23:  -0.1075                       
REMARK   3      S31:   0.9661 S32:   0.0232 S33:   0.7504                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   215        C   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.7307  45.3423 -19.3208              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1496 T22:   0.1788                                     
REMARK   3      T33:   0.0946 T12:   0.0287                                     
REMARK   3      T13:  -0.0234 T23:  -0.0129                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1083 L22:   0.9290                                     
REMARK   3      L33:   0.4699 L12:  -0.4349                                     
REMARK   3      L13:  -0.0770 L23:   0.4578                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0403 S12:   0.1618 S13:  -0.0127                       
REMARK   3      S21:   0.0192 S22:  -0.0014 S23:   0.0032                       
REMARK   3      S31:  -0.1307 S32:  -0.1289 S33:   0.0417                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D     3        D    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  33.9796  45.2142   2.5650              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0669 T22:   0.6724                                     
REMARK   3      T33:   0.2737 T12:  -0.1341                                     
REMARK   3      T13:  -0.0570 T23:  -0.1618                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3777 L22:   0.4333                                     
REMARK   3      L33:   4.8054 L12:   1.1033                                     
REMARK   3      L13:  -0.5498 L23:  -0.5271                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0776 S12:  -0.2599 S13:  -0.0587                       
REMARK   3      S21:   0.0029 S22:   0.0620 S23:  -0.0396                       
REMARK   3      S31:  -0.3129 S32:   0.9611 S33:  -0.1396                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    30        D    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  41.8489  46.6615  -0.7120              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0925 T22:   0.6120                                     
REMARK   3      T33:   0.4582 T12:  -0.1404                                     
REMARK   3      T13:  -0.0820 T23:  -0.1495                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2760 L22:   1.5410                                     
REMARK   3      L33:   5.9395 L12:   1.4061                                     
REMARK   3      L13:  -1.7939 L23:  -0.0279                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0950 S12:  -0.4650 S13:   0.1203                       
REMARK   3      S21:   0.0909 S22:  -0.0352 S23:  -0.5848                       
REMARK   3      S31:  -0.6522 S32:   1.3913 S33:  -0.0597                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    62        D   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  33.8556  44.4260 -12.2546              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0489 T22:   0.3466                                     
REMARK   3      T33:   0.2204 T12:  -0.1078                                     
REMARK   3      T13:   0.0298 T23:  -0.1171                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6908 L22:   3.2512                                     
REMARK   3      L33:   2.1597 L12:  -0.2252                                     
REMARK   3      L13:   0.5747 L23:  -1.2029                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1089 S12:   0.0781 S13:  -0.0035                       
REMARK   3      S21:  -0.0256 S22:  -0.0151 S23:  -0.4967                       
REMARK   3      S31:  -0.1762 S32:   0.5613 S33:  -0.0938                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   105        D   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  22.7585  46.5691 -13.8314              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1344 T22:   0.2596                                     
REMARK   3      T33:   0.1401 T12:  -0.1189                                     
REMARK   3      T13:   0.0215 T23:  -0.0924                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8357 L22:   0.7962                                     
REMARK   3      L33:   1.6095 L12:  -0.0742                                     
REMARK   3      L13:  -0.0470 L23:  -0.9619                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0737 S12:   0.0798 S13:  -0.0365                       
REMARK   3      S21:  -0.0349 S22:   0.0250 S23:  -0.0245                       
REMARK   3      S31:  -0.1520 S32:   0.2912 S33:  -0.0987                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   155        D   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.9081  44.2000  -8.7461              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1164 T22:   0.2461                                     
REMARK   3      T33:   0.1939 T12:  -0.0720                                     
REMARK   3      T13:   0.0083 T23:  -0.0595                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9427 L22:   1.2318                                     
REMARK   3      L33:   1.4627 L12:   0.6728                                     
REMARK   3      L13:  -0.2848 L23:  -0.7659                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0028 S12:  -0.0340 S13:   0.0189                       
REMARK   3      S21:  -0.0861 S22:   0.0966 S23:  -0.2207                       
REMARK   3      S31:  -0.0842 S32:   0.1671 S33:  -0.0939                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   194        D   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  21.0169  64.1107  -1.0266              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7261 T22:   0.4153                                     
REMARK   3      T33:   0.6771 T12:  -0.2066                                     
REMARK   3      T13:   0.1876 T23:  -0.0848                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1775 L22:   4.4605                                     
REMARK   3      L33:   4.9368 L12:  -0.1754                                     
REMARK   3      L13:  -3.1499 L23:  -0.9654                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.7421 S12:   0.2293 S13:   1.1601                       
REMARK   3      S21:   0.0372 S22:   0.2422 S23:  -0.3141                       
REMARK   3      S31:  -0.9938 S32:   0.3071 S33:  -0.9843                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   215        D   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.2501  47.7986   4.4658              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0755 T22:   0.1921                                     
REMARK   3      T33:   0.1489 T12:  -0.0688                                     
REMARK   3      T13:  -0.0392 T23:  -0.0643                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1870 L22:   2.2980                                     
REMARK   3      L33:   1.6842 L12:  -0.0571                                     
REMARK   3      L13:  -0.4395 L23:   0.5668                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0709 S12:  -0.1752 S13:   0.0317                       
REMARK   3      S21:  -0.1322 S22:   0.0640 S23:  -0.0819                       
REMARK   3      S31:  -0.2456 S32:   0.4175 S33:  -0.1349                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E     3        E    29                          
REMARK   3    ORIGIN FOR THE GROUP (A): -32.3609  17.8898   8.3231              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1118 T22:   0.0868                                     
REMARK   3      T33:   0.1543 T12:   0.0517                                     
REMARK   3      T13:  -0.0940 T23:  -0.0011                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2314 L22:   2.4582                                     
REMARK   3      L33:   3.4389 L12:   1.7742                                     
REMARK   3      L13:  -0.8950 L23:  -0.3589                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0315 S12:   0.2313 S13:  -0.0996                       
REMARK   3      S21:  -0.2830 S22:  -0.0665 S23:   0.2542                       
REMARK   3      S31:  -0.2372 S32:  -0.1271 S33:   0.0980                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E    30        E    61                          
REMARK   3    ORIGIN FOR THE GROUP (A): -31.8238  26.2418   7.0354              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1915 T22:   0.1280                                     
REMARK   3      T33:   0.1304 T12:   0.0750                                     
REMARK   3      T13:  -0.0782 T23:   0.0321                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8989 L22:   4.7311                                     
REMARK   3      L33:   3.2214 L12:   2.1193                                     
REMARK   3      L13:   1.1824 L23:   1.0080                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0621 S12:   0.1243 S13:   0.3274                       
REMARK   3      S21:  -0.5567 S22:  -0.1207 S23:   0.4108                       
REMARK   3      S31:  -0.5022 S32:  -0.2722 S33:   0.0586                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E    62        E   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -27.2481  24.5184  20.4856              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1420 T22:   0.1122                                     
REMARK   3      T33:   0.1545 T12:   0.0103                                     
REMARK   3      T13:  -0.0222 T23:  -0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2391 L22:   1.4005                                     
REMARK   3      L33:   1.1122 L12:  -0.4204                                     
REMARK   3      L13:  -0.2422 L23:  -0.3770                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0514 S12:  -0.0031 S13:   0.1626                       
REMARK   3      S21:  -0.0266 S22:  -0.0015 S23:   0.1366                       
REMARK   3      S31:  -0.2994 S32:  -0.0533 S33:  -0.0499                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   105        E   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.4995  15.3991  24.9847              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0980 T22:   0.1166                                     
REMARK   3      T33:   0.0992 T12:   0.0019                                     
REMARK   3      T13:   0.0088 T23:   0.0227                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7716 L22:   1.0822                                     
REMARK   3      L33:   1.0014 L12:  -0.2818                                     
REMARK   3      L13:   0.4202 L23:   0.0280                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1314 S12:   0.0175 S13:   0.0209                       
REMARK   3      S21:   0.0230 S22:  -0.1111 S23:   0.1196                       
REMARK   3      S31:  -0.1976 S32:  -0.0031 S33:  -0.0203                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   155        E   193                          
REMARK   3    ORIGIN FOR THE GROUP (A): -24.8491   9.2629  23.7540              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0871 T22:   0.1289                                     
REMARK   3      T33:   0.1016 T12:   0.0022                                     
REMARK   3      T13:   0.0004 T23:  -0.0074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4432 L22:   1.6898                                     
REMARK   3      L33:   1.1922 L12:   0.5870                                     
REMARK   3      L13:  -0.2216 L23:  -0.4101                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0263 S12:   0.0622 S13:  -0.0783                       
REMARK   3      S21:  -0.0113 S22:  -0.0596 S23:   0.1180                       
REMARK   3      S31:  -0.0799 S32:  -0.1229 S33:   0.0333                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   194        E   214                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.6715   9.0806   7.2495              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1489 T22:   0.2216                                     
REMARK   3      T33:   0.2095 T12:  -0.0236                                     
REMARK   3      T13:   0.0555 T23:   0.0174                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3327 L22:   9.3591                                     
REMARK   3      L33:   3.2935 L12:  -2.0886                                     
REMARK   3      L13:  -1.0814 L23:   3.6689                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0115 S12:   0.2121 S13:   0.1839                       
REMARK   3      S21:  -0.3087 S22:   0.4228 S23:  -1.2678                       
REMARK   3      S31:  -0.2141 S32:   0.2629 S33:  -0.4343                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   215        E   256                          
REMARK   3    ORIGIN FOR THE GROUP (A): -26.1693   2.8495  11.2694              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0824 T22:   0.1189                                     
REMARK   3      T33:   0.1453 T12:  -0.0151                                     
REMARK   3      T13:  -0.0452 T23:  -0.0279                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4390 L22:   1.6023                                     
REMARK   3      L33:   2.5116 L12:  -0.5280                                     
REMARK   3      L13:  -0.4412 L23:   0.1701                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1333 S12:   0.0884 S13:  -0.1543                       
REMARK   3      S21:  -0.2298 S22:  -0.0272 S23:   0.1832                       
REMARK   3      S31:   0.0981 S32:  -0.0463 S33:   0.1605                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F     3        F    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.5910   0.7056  50.2404              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1972 T22:   0.2308                                     
REMARK   3      T33:   0.0419 T12:  -0.0073                                     
REMARK   3      T13:  -0.0705 T23:  -0.0120                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0860 L22:   4.0151                                     
REMARK   3      L33:   0.0601 L12:  -1.0880                                     
REMARK   3      L13:   0.1763 L23:   0.1046                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0332 S12:  -0.1531 S13:  -0.2148                       
REMARK   3      S21:   0.3544 S22:  -0.0149 S23:  -0.1822                       
REMARK   3      S31:  -0.0248 S32:   0.0810 S33:  -0.0183                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F    30        F    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.3904   7.6493  55.6316              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1757 T22:   0.2454                                     
REMARK   3      T33:   0.0439 T12:  -0.0183                                     
REMARK   3      T13:  -0.0852 T23:  -0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6111 L22:   4.6597                                     
REMARK   3      L33:   3.5933 L12:  -0.0513                                     
REMARK   3      L13:  -0.2643 L23:   0.9171                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0351 S12:  -0.3981 S13:   0.0362                       
REMARK   3      S21:   0.7347 S22:   0.0132 S23:  -0.3746                       
REMARK   3      S31:   0.0772 S32:   0.2594 S33:  -0.0484                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F    62        F   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.9820  14.5401  43.8322              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1368 T22:   0.1878                                     
REMARK   3      T33:   0.0789 T12:  -0.0403                                     
REMARK   3      T13:  -0.0526 T23:  -0.0234                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4356 L22:   1.5943                                     
REMARK   3      L33:   1.6860 L12:  -0.4349                                     
REMARK   3      L13:  -0.1295 L23:   0.4470                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0620 S12:  -0.1682 S13:   0.2185                       
REMARK   3      S21:   0.3126 S22:   0.0876 S23:  -0.1323                       
REMARK   3      S31:  -0.1694 S32:   0.2115 S33:  -0.0256                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   105        F   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -12.3030  11.0104  35.6655              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1269 T22:   0.1237                                     
REMARK   3      T33:   0.0319 T12:  -0.0223                                     
REMARK   3      T13:   0.0224 T23:  -0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6318 L22:   1.8173                                     
REMARK   3      L33:   1.1123 L12:  -0.7566                                     
REMARK   3      L13:   0.3140 L23:   0.1714                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0239 S12:  -0.0458 S13:   0.0468                       
REMARK   3      S21:   0.1282 S22:   0.0168 S23:  -0.0616                       
REMARK   3      S31:  -0.0797 S32:   0.0783 S33:   0.0071                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   155        F   214                          
REMARK   3    ORIGIN FOR THE GROUP (A): -16.4634   2.8241  38.7043              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2092 T22:   0.1957                                     
REMARK   3      T33:   0.1748 T12:   0.0027                                     
REMARK   3      T13:  -0.0497 T23:   0.0030                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8878 L22:   2.8692                                     
REMARK   3      L33:   1.0600 L12:  -0.2506                                     
REMARK   3      L13:   0.5462 L23:   0.3194                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1456 S12:  -0.4297 S13:   0.1520                       
REMARK   3      S21:   0.4729 S22:   0.0518 S23:   0.3868                       
REMARK   3      S31:   0.1311 S32:  -0.1265 S33:   0.0938                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   215        F   256                          
REMARK   3    ORIGIN FOR THE GROUP (A): -12.7269  -7.5454  40.4911              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2896 T22:   0.0980                                     
REMARK   3      T33:   0.1223 T12:   0.0164                                     
REMARK   3      T13:   0.0185 T23:   0.0066                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0274 L22:   1.0028                                     
REMARK   3      L33:   1.7483 L12:  -0.7212                                     
REMARK   3      L13:  -0.3769 L23:   0.0918                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0351 S12:  -0.0434 S13:  -0.1331                       
REMARK   3      S21:   0.3724 S22:   0.0294 S23:   0.1212                       
REMARK   3      S31:   0.1754 S32:   0.1282 S33:   0.0056                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G     3        G    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.3482 -24.9480  35.3084              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2295 T22:   0.0829                                     
REMARK   3      T33:   0.1627 T12:   0.0857                                     
REMARK   3      T13:  -0.0544 T23:   0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0743 L22:   1.2523                                     
REMARK   3      L33:   4.5949 L12:   0.1036                                     
REMARK   3      L13:  -1.1915 L23:   0.5434                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1434 S12:  -0.0897 S13:  -0.1768                       
REMARK   3      S21:   0.2900 S22:   0.1540 S23:  -0.2887                       
REMARK   3      S31:   0.0502 S32:   0.3574 S33:  -0.2973                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G    30        G    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.7497 -33.0510  32.8213              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2950 T22:   0.1467                                     
REMARK   3      T33:   0.3374 T12:   0.1094                                     
REMARK   3      T13:  -0.1041 T23:   0.0857                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8673 L22:   4.2697                                     
REMARK   3      L33:   7.6701 L12:  -0.0606                                     
REMARK   3      L13:  -0.2223 L23:   4.4167                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1232 S12:  -0.1309 S13:  -0.3628                       
REMARK   3      S21:   0.3439 S22:   0.2026 S23:  -0.4904                       
REMARK   3      S31:   0.4821 S32:   0.3922 S33:  -0.3258                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G    62        G   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.8508 -32.5074  28.6673              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2208 T22:   0.0181                                     
REMARK   3      T33:   0.1719 T12:   0.0269                                     
REMARK   3      T13:   0.0514 T23:   0.0022                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0504 L22:   1.7604                                     
REMARK   3      L33:   1.7764 L12:  -0.7417                                     
REMARK   3      L13:   0.1366 L23:  -0.2328                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0110 S12:  -0.0311 S13:  -0.3710                       
REMARK   3      S21:   0.0661 S22:   0.0019 S23:  -0.0783                       
REMARK   3      S31:   0.3039 S32:   0.0190 S33:  -0.0129                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   105        G   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -16.7430 -23.3975  24.4067              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1069 T22:   0.0324                                     
REMARK   3      T33:   0.1766 T12:   0.0431                                     
REMARK   3      T13:   0.0279 T23:  -0.0057                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1161 L22:   1.3527                                     
REMARK   3      L33:   2.8921 L12:   0.0798                                     
REMARK   3      L13:   0.0419 L23:   0.1020                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0606 S12:   0.0001 S13:  -0.1772                       
REMARK   3      S21:   0.1320 S22:  -0.0637 S23:   0.0992                       
REMARK   3      S31:   0.2281 S32:   0.1284 S33:   0.0031                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   155        G   193                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.9503 -17.8024  28.0288              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1135 T22:   0.0510                                     
REMARK   3      T33:   0.1323 T12:   0.0205                                     
REMARK   3      T13:   0.0139 T23:   0.0254                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6359 L22:   0.9967                                     
REMARK   3      L33:   2.4073 L12:  -0.1011                                     
REMARK   3      L13:  -0.6164 L23:   0.4355                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0500 S12:   0.0039 S13:  -0.0840                       
REMARK   3      S21:   0.1005 S22:   0.0060 S23:   0.1159                       
REMARK   3      S31:   0.1399 S32:  -0.0293 S33:  -0.0561                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   194        G   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.0813 -13.3158  14.5139              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2634 T22:   0.2521                                     
REMARK   3      T33:   0.1731 T12:   0.0167                                     
REMARK   3      T13:   0.0804 T23:  -0.0132                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2947 L22:   8.9319                                     
REMARK   3      L33:   5.0740 L12:   2.4704                                     
REMARK   3      L13:   1.5187 L23:   0.1787                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2248 S12:   0.0578 S13:  -0.2459                       
REMARK   3      S21:  -1.4008 S22:   0.2972 S23:  -0.5398                       
REMARK   3      S31:   0.0428 S32:   0.3649 S33:  -0.0724                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   215        G   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -4.6162 -10.2075  30.6217              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1086 T22:   0.1128                                     
REMARK   3      T33:   0.1135 T12:   0.0587                                     
REMARK   3      T13:   0.0038 T23:  -0.0168                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0337 L22:   0.7615                                     
REMARK   3      L33:   0.6104 L12:   0.4559                                     
REMARK   3      L13:   0.7527 L23:   0.2513                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0171 S12:  -0.0159 S13:  -0.0554                       
REMARK   3      S21:   0.0975 S22:   0.0463 S23:  -0.1235                       
REMARK   3      S31:   0.0393 S32:   0.0411 S33:  -0.0634                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H     3        H    29                          
REMARK   3    ORIGIN FOR THE GROUP (A): -44.1085 -10.5240   8.1385              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1057 T22:   0.2331                                     
REMARK   3      T33:   0.3967 T12:  -0.0369                                     
REMARK   3      T13:  -0.1481 T23:  -0.1198                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9576 L22:   4.1473                                     
REMARK   3      L33:   1.5794 L12:   0.5434                                     
REMARK   3      L13:  -1.7067 L23:  -0.1838                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0767 S12:   0.1873 S13:  -0.0583                       
REMARK   3      S21:  -0.2624 S22:  -0.1920 S23:   0.7443                       
REMARK   3      S31:   0.0803 S32:  -0.3204 S33:   0.2686                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H    30        H    61                          
REMARK   3    ORIGIN FOR THE GROUP (A): -48.7346 -17.1111   5.4652              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2115 T22:   0.3959                                     
REMARK   3      T33:   0.5775 T12:  -0.0991                                     
REMARK   3      T13:  -0.2139 T23:  -0.2019                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0327 L22:  10.6508                                     
REMARK   3      L33:   3.1595 L12:  -1.6897                                     
REMARK   3      L13:  -0.9742 L23:  -1.7790                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3143 S12:   0.3022 S13:  -0.4997                       
REMARK   3      S21:  -0.3259 S22:  -0.4004 S23:   1.4316                       
REMARK   3      S31:   0.2430 S32:  -0.3611 S33:   0.0861                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H    62        H   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -35.8806 -22.7253   8.1637              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1120 T22:   0.1399                                     
REMARK   3      T33:   0.3472 T12:  -0.0481                                     
REMARK   3      T13:  -0.0884 T23:  -0.1320                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4926 L22:   2.4245                                     
REMARK   3      L33:   3.4257 L12:  -0.5051                                     
REMARK   3      L13:   0.8936 L23:  -1.4131                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0919 S12:   0.2555 S13:  -0.4566                       
REMARK   3      S21:  -0.2550 S22:  -0.0143 S23:   0.4588                       
REMARK   3      S31:   0.3945 S32:  -0.1840 S33:  -0.0777                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   105        H   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -28.1601 -19.4176  15.9447              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0557 T22:   0.0606                                     
REMARK   3      T33:   0.2224 T12:  -0.0281                                     
REMARK   3      T13:  -0.0202 T23:  -0.0666                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8086 L22:   1.4224                                     
REMARK   3      L33:   1.7565 L12:   0.1452                                     
REMARK   3      L13:   0.0773 L23:  -0.0314                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0449 S12:   0.0927 S13:  -0.2544                       
REMARK   3      S21:  -0.0831 S22:  -0.0970 S23:   0.2798                       
REMARK   3      S31:   0.1970 S32:  -0.0877 S33:   0.0521                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   155        H   214                          
REMARK   3    ORIGIN FOR THE GROUP (A): -32.4461 -12.5623  21.4289              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1324 T22:   0.1898                                     
REMARK   3      T33:   0.2725 T12:  -0.0439                                     
REMARK   3      T13:  -0.0449 T23:  -0.0411                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4317 L22:   2.5734                                     
REMARK   3      L33:   1.4836 L12:   0.3617                                     
REMARK   3      L13:  -0.3216 L23:  -1.1425                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0130 S12:   0.0163 S13:  -0.1282                       
REMARK   3      S21:   0.1992 S22:   0.0121 S23:   0.3284                       
REMARK   3      S31:   0.1077 S32:  -0.2844 S33:  -0.0251                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   215        H   256                          
REMARK   3    ORIGIN FOR THE GROUP (A): -35.3357  -2.0251  18.5952              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0623 T22:   0.1376                                     
REMARK   3      T33:   0.2624 T12:  -0.0272                                     
REMARK   3      T13:  -0.0062 T23:  -0.0369                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3278 L22:   1.4089                                     
REMARK   3      L33:   1.6412 L12:  -0.1086                                     
REMARK   3      L13:  -0.1763 L23:  -0.4900                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0128 S12:   0.0654 S13:  -0.0529                       
REMARK   3      S21:  -0.0082 S22:  -0.0815 S23:   0.4822                       
REMARK   3      S31:   0.2090 S32:  -0.1390 S33:   0.0944                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE          
REMARK   3   RIDING POSITIONS.                                                  
REMARK   4                                                                      
REMARK   4 4ALJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-FEB-12.                  
REMARK 100 THE PDBE ID CODE IS EBI-51458.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 24-JUN-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID29                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.976                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 135192                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.20                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 49.11                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 6.0                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 94.4                               
REMARK 200  DATA REDUNDANCY                : 1.85                               
REMARK 200  R MERGE                    (I) : 0.08                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 5.91                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.32                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.85                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.35                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.95                               
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: PDB ENTRY 4ALK                                       
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.90                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.92                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M K/NA-PHOSPHATE PH 6.5,             
REMARK 280  35% MPD                                                             
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                                                    
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 19410 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32510 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -67.2 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, 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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 19410 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32390 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -68.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H                            
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 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 ENGINEERED RESIDUE IN CHAIN A, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN B, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN C, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN D, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN E, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN F, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN G, LEU 2 TO VAL                          
REMARK 400 ENGINEERED RESIDUE IN CHAIN H, LEU 2 TO VAL                          
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   -25                                                      
REMARK 465     LYS A   -24                                                      
REMARK 465     HIS A   -23                                                      
REMARK 465     HIS A   -22                                                      
REMARK 465     HIS A   -21                                                      
REMARK 465     HIS A   -20                                                      
REMARK 465     HIS A   -19                                                      
REMARK 465     HIS A   -18                                                      
REMARK 465     PRO A   -17                                                      
REMARK 465     MET A   -16                                                      
REMARK 465     SER A   -15                                                      
REMARK 465     ASP A   -14                                                      
REMARK 465     TYR A   -13                                                      
REMARK 465     ASP A   -12                                                      
REMARK 465     ILE A   -11                                                      
REMARK 465     PRO A   -10                                                      
REMARK 465     THR A    -9                                                      
REMARK 465     THR A    -8                                                      
REMARK 465     GLU A    -7                                                      
REMARK 465     ASN A    -6                                                      
REMARK 465     LEU A    -5                                                      
REMARK 465     TYR A    -4                                                      
REMARK 465     PHE A    -3                                                      
REMARK 465     GLN A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     ALA A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     VAL A     2                                                      
REMARK 465     MET B   -25                                                      
REMARK 465     LYS B   -24                                                      
REMARK 465     HIS B   -23                                                      
REMARK 465     HIS B   -22                                                      
REMARK 465     HIS B   -21                                                      
REMARK 465     HIS B   -20                                                      
REMARK 465     HIS B   -19                                                      
REMARK 465     HIS B   -18                                                      
REMARK 465     PRO B   -17                                                      
REMARK 465     MET B   -16                                                      
REMARK 465     SER B   -15                                                      
REMARK 465     ASP B   -14                                                      
REMARK 465     TYR B   -13                                                      
REMARK 465     ASP B   -12                                                      
REMARK 465     ILE B   -11                                                      
REMARK 465     PRO B   -10                                                      
REMARK 465     THR B    -9                                                      
REMARK 465     THR B    -8                                                      
REMARK 465     GLU B    -7                                                      
REMARK 465     ASN B    -6                                                      
REMARK 465     LEU B    -5                                                      
REMARK 465     TYR B    -4                                                      
REMARK 465     PHE B    -3                                                      
REMARK 465     GLN B    -2                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     ALA B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     MET C   -25                                                      
REMARK 465     LYS C   -24                                                      
REMARK 465     HIS C   -23                                                      
REMARK 465     HIS C   -22                                                      
REMARK 465     HIS C   -21                                                      
REMARK 465     HIS C   -20                                                      
REMARK 465     HIS C   -19                                                      
REMARK 465     HIS C   -18                                                      
REMARK 465     PRO C   -17                                                      
REMARK 465     MET C   -16                                                      
REMARK 465     SER C   -15                                                      
REMARK 465     ASP C   -14                                                      
REMARK 465     TYR C   -13                                                      
REMARK 465     ASP C   -12                                                      
REMARK 465     ILE C   -11                                                      
REMARK 465     PRO C   -10                                                      
REMARK 465     THR C    -9                                                      
REMARK 465     THR C    -8                                                      
REMARK 465     GLU C    -7                                                      
REMARK 465     ASN C    -6                                                      
REMARK 465     LEU C    -5                                                      
REMARK 465     TYR C    -4                                                      
REMARK 465     PHE C    -3                                                      
REMARK 465     GLN C    -2                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     ALA C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     MET D   -25                                                      
REMARK 465     LYS D   -24                                                      
REMARK 465     HIS D   -23                                                      
REMARK 465     HIS D   -22                                                      
REMARK 465     HIS D   -21                                                      
REMARK 465     HIS D   -20                                                      
REMARK 465     HIS D   -19                                                      
REMARK 465     HIS D   -18                                                      
REMARK 465     PRO D   -17                                                      
REMARK 465     MET D   -16                                                      
REMARK 465     SER D   -15                                                      
REMARK 465     ASP D   -14                                                      
REMARK 465     TYR D   -13                                                      
REMARK 465     ASP D   -12                                                      
REMARK 465     ILE D   -11                                                      
REMARK 465     PRO D   -10                                                      
REMARK 465     THR D    -9                                                      
REMARK 465     THR D    -8                                                      
REMARK 465     GLU D    -7                                                      
REMARK 465     ASN D    -6                                                      
REMARK 465     LEU D    -5                                                      
REMARK 465     TYR D    -4                                                      
REMARK 465     PHE D    -3                                                      
REMARK 465     GLN D    -2                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     ALA D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     VAL D     2                                                      
REMARK 465     MET E   -25                                                      
REMARK 465     LYS E   -24                                                      
REMARK 465     HIS E   -23                                                      
REMARK 465     HIS E   -22                                                      
REMARK 465     HIS E   -21                                                      
REMARK 465     HIS E   -20                                                      
REMARK 465     HIS E   -19                                                      
REMARK 465     HIS E   -18                                                      
REMARK 465     PRO E   -17                                                      
REMARK 465     MET E   -16                                                      
REMARK 465     SER E   -15                                                      
REMARK 465     ASP E   -14                                                      
REMARK 465     TYR E   -13                                                      
REMARK 465     ASP E   -12                                                      
REMARK 465     ILE E   -11                                                      
REMARK 465     PRO E   -10                                                      
REMARK 465     THR E    -9                                                      
REMARK 465     THR E    -8                                                      
REMARK 465     GLU E    -7                                                      
REMARK 465     ASN E    -6                                                      
REMARK 465     LEU E    -5                                                      
REMARK 465     TYR E    -4                                                      
REMARK 465     PHE E    -3                                                      
REMARK 465     GLN E    -2                                                      
REMARK 465     GLY E    -1                                                      
REMARK 465     ALA E     0                                                      
REMARK 465     MET E     1                                                      
REMARK 465     MET F   -25                                                      
REMARK 465     LYS F   -24                                                      
REMARK 465     HIS F   -23                                                      
REMARK 465     HIS F   -22                                                      
REMARK 465     HIS F   -21                                                      
REMARK 465     HIS F   -20                                                      
REMARK 465     HIS F   -19                                                      
REMARK 465     HIS F   -18                                                      
REMARK 465     PRO F   -17                                                      
REMARK 465     MET F   -16                                                      
REMARK 465     SER F   -15                                                      
REMARK 465     ASP F   -14                                                      
REMARK 465     TYR F   -13                                                      
REMARK 465     ASP F   -12                                                      
REMARK 465     ILE F   -11                                                      
REMARK 465     PRO F   -10                                                      
REMARK 465     THR F    -9                                                      
REMARK 465     THR F    -8                                                      
REMARK 465     GLU F    -7                                                      
REMARK 465     ASN F    -6                                                      
REMARK 465     LEU F    -5                                                      
REMARK 465     TYR F    -4                                                      
REMARK 465     PHE F    -3                                                      
REMARK 465     GLN F    -2                                                      
REMARK 465     GLY F    -1                                                      
REMARK 465     ALA F     0                                                      
REMARK 465     MET F     1                                                      
REMARK 465     MET G   -25                                                      
REMARK 465     LYS G   -24                                                      
REMARK 465     HIS G   -23                                                      
REMARK 465     HIS G   -22                                                      
REMARK 465     HIS G   -21                                                      
REMARK 465     HIS G   -20                                                      
REMARK 465     HIS G   -19                                                      
REMARK 465     HIS G   -18                                                      
REMARK 465     PRO G   -17                                                      
REMARK 465     MET G   -16                                                      
REMARK 465     SER G   -15                                                      
REMARK 465     ASP G   -14                                                      
REMARK 465     TYR G   -13                                                      
REMARK 465     ASP G   -12                                                      
REMARK 465     ILE G   -11                                                      
REMARK 465     PRO G   -10                                                      
REMARK 465     THR G    -9                                                      
REMARK 465     THR G    -8                                                      
REMARK 465     GLU G    -7                                                      
REMARK 465     ASN G    -6                                                      
REMARK 465     LEU G    -5                                                      
REMARK 465     TYR G    -4                                                      
REMARK 465     PHE G    -3                                                      
REMARK 465     GLN G    -2                                                      
REMARK 465     GLY G    -1                                                      
REMARK 465     ALA G     0                                                      
REMARK 465     MET G     1                                                      
REMARK 465     MET H   -25                                                      
REMARK 465     LYS H   -24                                                      
REMARK 465     HIS H   -23                                                      
REMARK 465     HIS H   -22                                                      
REMARK 465     HIS H   -21                                                      
REMARK 465     HIS H   -20                                                      
REMARK 465     HIS H   -19                                                      
REMARK 465     HIS H   -18                                                      
REMARK 465     PRO H   -17                                                      
REMARK 465     MET H   -16                                                      
REMARK 465     SER H   -15                                                      
REMARK 465     ASP H   -14                                                      
REMARK 465     TYR H   -13                                                      
REMARK 465     ASP H   -12                                                      
REMARK 465     ILE H   -11                                                      
REMARK 465     PRO H   -10                                                      
REMARK 465     THR H    -9                                                      
REMARK 465     THR H    -8                                                      
REMARK 465     GLU H    -7                                                      
REMARK 465     ASN H    -6                                                      
REMARK 465     LEU H    -5                                                      
REMARK 465     TYR H    -4                                                      
REMARK 465     PHE H    -3                                                      
REMARK 465     GLN H    -2                                                      
REMARK 465     GLY H    -1                                                      
REMARK 465     ALA H     0                                                      
REMARK 465     MET H     1                                                      
REMARK 465     VAL H     2                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OXT  LYS E   256     O    HOH E  2167              1.84            
REMARK 500   OE1  GLU E   244     O    HOH E  2162              2.04            
REMARK 500   O    HOH H  2026     O    HOH H  2027              2.06            
REMARK 500   O    HOH G  2006     O    HOH G  2012              2.10            
REMARK 500   N    GLU C  1257     O    HOH C  2127              2.12            
REMARK 500   O    HOH F  2002     O    HOH F  2004              2.15            
REMARK 500   O    HOH H  2096     O    HOH H  2097              2.15            
REMARK 500   OE1  GLU D   244     O    HOH A  2181              2.16            
REMARK 500   O    HOH C  2016     O    HOH C  2017              2.16            
REMARK 500   OE1  GLU C   108     O    HOH C  2076              2.16            
REMARK 500   OXT  LYS G   256     O    HOH E  2139              2.17            
REMARK 500   O    HOH G  2005     O    HOH G  2011              2.17            
REMARK 500   O    HOH B  2075     O    HOH B  2078              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (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,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A  18   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500    ARG A  40   NE  -  CZ  -  NH2 ANGL. DEV. =  -5.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    ASN A  16     -177.53   -171.88                                   
REMARK 500    ARG A  40      -67.40    -92.01                                   
REMARK 500    ARG A 103      157.95    178.26                                   
REMARK 500    SER A 122      -56.41   -124.52                                   
REMARK 500    ASN A 156      -26.32     70.50                                   
REMARK 500    ASN A 158     -114.66     35.44                                   
REMARK 500    ASP A 249       26.58   -148.01                                   
REMARK 500    SER A 250       19.23     59.59                                   
REMARK 500    ASN B   6       -3.40     87.40                                   
REMARK 500    ARG B  40      -60.53    -99.09                                   
REMARK 500    LEU B 148      -33.61    -31.84                                   
REMARK 500    ASN B 156      -35.67     75.50                                   
REMARK 500    ASN B 158     -114.73     42.70                                   
REMARK 500    LYS B 199        0.60    -69.98                                   
REMARK 500    VAL B 248       78.83   -106.17                                   
REMARK 500    ASP B 249       29.01   -147.61                                   
REMARK 500    ASN C   6        3.49     81.00                                   
REMARK 500    SER C  93       55.05   -142.63                                   
REMARK 500    SER C 122      -60.26   -130.87                                   
REMARK 500    ASN C 156      -25.95     78.25                                   
REMARK 500    ASN C 158     -120.09     51.80                                   
REMARK 500    VAL C 248       76.02   -109.81                                   
REMARK 500    ASP C 249       25.97   -147.19                                   
REMARK 500    ASN D  56       61.62   -109.58                                   
REMARK 500    SER D 122      -57.30   -128.29                                   
REMARK 500    ASN D 156      -34.64     71.99                                   
REMARK 500    ASN D 158     -112.92     47.69                                   
REMARK 500    ASP D 249       29.53   -153.73                                   
REMARK 500    ASN E   3      115.61   -165.44                                   
REMARK 500    GLU E 100        0.63    -69.21                                   
REMARK 500    SER E 122      -61.61   -134.12                                   
REMARK 500    ASN E 156      -30.63     62.76                                   
REMARK 500    ASN E 158     -120.39     52.33                                   
REMARK 500    VAL E 248       68.06   -115.31                                   
REMARK 500    ARG F  40      -60.52    -94.18                                   
REMARK 500    SER F 122      -58.66   -124.33                                   
REMARK 500    LEU F 148      -32.63    -32.59                                   
REMARK 500    ASN F 156      -15.44     64.98                                   
REMARK 500    ASN F 158     -120.00     45.21                                   
REMARK 500    VAL F 248       71.21   -100.14                                   
REMARK 500    ASP F 249       34.46   -142.69                                   
REMARK 500    ARG G  40      -61.57   -101.29                                   
REMARK 500    SER G  93       47.92   -143.62                                   
REMARK 500    ARG G 103     -179.56   -171.55                                   
REMARK 500    ASN G 156      -31.28     84.90                                   
REMARK 500    ASN G 158     -118.13     52.35                                   
REMARK 500    VAL G 248       78.18   -101.63                                   
REMARK 500    ASP G 249       31.18   -147.31                                   
REMARK 500    SER H 122      -63.74   -134.85                                   
REMARK 500    ASN H 156      -36.96     71.79                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      52 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH F2029        DISTANCE =  5.07 ANGSTROMS                       
REMARK 525    HOH F2072        DISTANCE =  5.17 ANGSTROMS                       
REMARK 525    HOH H2099        DISTANCE =  7.67 ANGSTROMS                       
REMARK 525    HOH H2100        DISTANCE =  5.21 ANGSTROMS                       
REMARK 525    HOH H2102        DISTANCE =  9.07 ANGSTROMS                       
REMARK 525    HOH H2103        DISTANCE =  5.43 ANGSTROMS                       
REMARK 525    HOH H2108        DISTANCE =  5.20 ANGSTROMS                       
REMARK 525    HOH H2116        DISTANCE =  5.15 ANGSTROMS                       
REMARK 525    HOH H2117        DISTANCE =  7.95 ANGSTROMS                       
REMARK 525    HOH H2118        DISTANCE =  7.55 ANGSTROMS                       
REMARK 525    HOH H2120        DISTANCE =  5.23 ANGSTROMS                       
REMARK 525    HOH H2126        DISTANCE =  8.61 ANGSTROMS                       
REMARK 525    HOH H2128        DISTANCE =  5.55 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP A 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU A1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 A1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP B 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU B1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 B1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP C 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU C1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 C1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP D 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 D1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP E 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU E1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU E1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 E1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP F 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU F1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 F1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU F1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP G 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU G1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 G1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP H 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CH8 H1257                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4ALI   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND TRICLOSAN (P1)                                             
REMARK 900 RELATED ID: 4ALL   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND TRICLOSAN (P212121)                                        
REMARK 900 RELATED ID: 4ALM   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI (P43212)                        
REMARK 900 RELATED ID: 4ALN   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI (P32)                           
REMARK 900 RELATED ID: 4ALK   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-ETHYL-2-PHENOXYPHENOL                                    
DBREF  4ALJ A    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ B    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ C    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ D    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ E    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ F    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ G    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
DBREF  4ALJ H    1   256  UNP    Q7A6D8   Q7A5D8_STAAN     1    256             
SEQADV 4ALJ MET A  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS A  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS A  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS A  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS A  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS A  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS A  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS A  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO A  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET A  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER A  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP A  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR A  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP A  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE A  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO A  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR A   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR A   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU A   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN A   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU A   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR A   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE A   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN A   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY A   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA A    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL A    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET B  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS B  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS B  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS B  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS B  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS B  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS B  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS B  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO B  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET B  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER B  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP B  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR B  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP B  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE B  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO B  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR B   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR B   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU B   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN B   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU B   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR B   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE B   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN B   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY B   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA B    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL B    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET C  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS C  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS C  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS C  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS C  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS C  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS C  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS C  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO C  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET C  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER C  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP C  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR C  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP C  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE C  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO C  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR C   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR C   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU C   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN C   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU C   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR C   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE C   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN C   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY C   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA C    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL C    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET D  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS D  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS D  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS D  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS D  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS D  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS D  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS D  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO D  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET D  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER D  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP D  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR D  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP D  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE D  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO D  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR D   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR D   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU D   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN D   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU D   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR D   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE D   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN D   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY D   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA D    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL D    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET E  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS E  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS E  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS E  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS E  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS E  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS E  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS E  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO E  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET E  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER E  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP E  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR E  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP E  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE E  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO E  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR E   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR E   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU E   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN E   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU E   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR E   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE E   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN E   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY E   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA E    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL E    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET F  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS F  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS F  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS F  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS F  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS F  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS F  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS F  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO F  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET F  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER F  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP F  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR F  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP F  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE F  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO F  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR F   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR F   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU F   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN F   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU F   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR F   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE F   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN F   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY F   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA F    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL F    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET G  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS G  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS G  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS G  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS G  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS G  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS G  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS G  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO G  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET G  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER G  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP G  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR G  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP G  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE G  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO G  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR G   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR G   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU G   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN G   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU G   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR G   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE G   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN G   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY G   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA G    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL G    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4ALJ MET H  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LYS H  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS H  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS H  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS H  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS H  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS H  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ HIS H  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO H  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ MET H  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ SER H  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP H  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR H  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASP H  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ILE H  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PRO H  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR H   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ THR H   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLU H   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ASN H   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ LEU H   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ TYR H   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ PHE H   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLN H   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ GLY H   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ ALA H    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4ALJ VAL H    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQRES   1 A  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 A  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 A  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 A  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 A  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 A  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 A  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 A  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 A  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 A  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 A  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 A  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 A  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 A  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 A  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 A  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 A  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 A  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 A  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 A  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 A  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 A  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 B  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 B  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 B  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 B  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 B  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 B  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 B  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 B  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 B  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 B  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 B  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 B  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 B  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 B  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 B  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 B  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 B  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 B  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 B  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 B  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 B  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 B  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 C  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 C  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 C  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 C  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 C  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 C  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 C  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 C  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 C  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 C  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 C  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 C  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 C  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 C  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 C  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 C  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 C  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 C  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 C  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 C  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 C  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 C  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 D  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 D  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 D  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 D  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 D  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 D  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 D  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 D  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 D  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 D  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 D  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 D  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 D  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 D  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 D  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 D  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 D  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 D  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 D  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 D  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 D  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 D  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 E  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 E  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 E  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 E  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 E  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 E  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 E  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 E  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 E  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 E  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 E  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 E  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 E  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 E  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 E  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 E  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 E  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 E  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 E  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 E  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 E  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 E  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 F  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 F  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 F  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 F  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 F  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 F  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 F  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 F  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 F  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 F  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 F  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 F  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 F  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 F  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 F  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 F  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 F  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 F  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 F  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 F  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 F  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 F  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 G  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 G  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 G  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 G  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 G  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 G  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 G  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 G  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 G  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 G  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 G  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 G  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 G  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 G  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 G  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 G  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 G  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 G  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 G  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 G  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 G  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 G  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 H  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 H  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 H  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 H  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 H  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 H  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 H  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 H  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 H  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 H  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 H  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 H  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 H  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 H  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 H  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 H  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 H  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 H  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 H  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 H  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 H  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 H  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
HET    NAP  A 400      48                                                       
HET    GLU  A1257      10                                                       
HET    CH8  A1258      15                                                       
HET    NAP  B 400      48                                                       
HET    GLU  B1257      10                                                       
HET    CH8  B1258      15                                                       
HET    NAP  C 400      48                                                       
HET    GLU  C1257      10                                                       
HET    CH8  C1258      15                                                       
HET    NAP  D 400      48                                                       
HET    CH8  D1257      15                                                       
HET    NAP  E 400      48                                                       
HET    GLU  E1257      10                                                       
HET    GLU  E1258      10                                                       
HET    CH8  E1259      15                                                       
HET    NAP  F 400      48                                                       
HET    GLU  F1257      10                                                       
HET    CH8  F1258      15                                                       
HET    GLU  F1259      10                                                       
HET    NAP  G 400      48                                                       
HET    GLU  G1257      10                                                       
HET    CH8  G1258      15                                                       
HET    NAP  H 400      48                                                       
HET    CH8  H1257      15                                                       
HETNAM     NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE                           
HETNAM   2 NAP  PHOSPHATE                                                       
HETNAM     CH8 5-CHLORO-2-PHENOXYPHENOL                                         
HETNAM     GLU GLUTAMIC ACID                                                    
HETSYN     NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE                       
FORMUL   9  NAP    8(C21 H28 N7 O17 P3)                                         
FORMUL  10  CH8    8(C12 H9 CL O2)                                              
FORMUL  11  GLU    8(C5 H9 N O4)                                                
FORMUL  12  HOH   *1222(H2 O)                                                   
HELIX    1   1 SER A   19  LEU A   31  1                                  13    
HELIX    2   2 LYS A   41  LEU A   52  1                                  12    
HELIX    3   3 GLU A   53  LEU A   55  5                                   3    
HELIX    4   4 SER A   69  GLY A   85  1                                  17    
HELIX    5   5 ASN A   98  LEU A  102  5                                   5    
HELIX    6   6 ARG A  105  THR A  109  5                                   5    
HELIX    7   7 SER A  110  SER A  122  1                                  13    
HELIX    8   8 SER A  122  LYS A  133  1                                  12    
HELIX    9   9 LYS A  134  MET A  136  5                                   3    
HELIX   10  10 TYR A  147  GLU A  151  5                                   5    
HELIX   11  11 TYR A  157  GLY A  179  1                                  23    
HELIX   12  12 LEU A  196  VAL A  201  5                                   6    
HELIX   13  13 GLY A  203  ALA A  215  1                                  13    
HELIX   14  14 ASP A  222  SER A  235  1                                  14    
HELIX   15  15 ASP A  236  SER A  239  5                                   4    
HELIX   16  16 GLY A  251  ALA A  254  5                                   4    
HELIX   17  17 SER B   19  LEU B   31  1                                  13    
HELIX   18  18 LYS B   41  LEU B   52  1                                  12    
HELIX   19  19 GLU B   53  LEU B   55  5                                   3    
HELIX   20  20 SER B   69  GLY B   85  1                                  17    
HELIX   21  21 ASN B   98  ARG B  103  1                                   6    
HELIX   22  22 ARG B  105  THR B  109  5                                   5    
HELIX   23  23 SER B  110  SER B  122  1                                  13    
HELIX   24  24 SER B  122  LYS B  134  1                                  13    
HELIX   25  25 TYR B  147  GLU B  151  5                                   5    
HELIX   26  26 TYR B  157  GLY B  179  1                                  23    
HELIX   27  27 LEU B  196  VAL B  201  5                                   6    
HELIX   28  28 GLY B  203  ALA B  215  1                                  13    
HELIX   29  29 ASP B  222  LEU B  234  1                                  13    
HELIX   30  30 SER B  235  SER B  239  5                                   5    
HELIX   31  31 GLY B  251  ALA B  254  5                                   4    
HELIX   32  32 SER C   19  LEU C   31  1                                  13    
HELIX   33  33 LYS C   41  LEU C   52  1                                  12    
HELIX   34  34 GLU C   53  LEU C   55  5                                   3    
HELIX   35  35 SER C   69  GLY C   85  1                                  17    
HELIX   36  36 ASN C   98  ARG C  103  5                                   6    
HELIX   37  37 ARG C  105  THR C  109  5                                   5    
HELIX   38  38 SER C  110  SER C  122  1                                  13    
HELIX   39  39 SER C  122  LYS C  134  1                                  13    
HELIX   40  40 TYR C  147  GLU C  151  5                                   5    
HELIX   41  41 ASN C  158  GLY C  179  1                                  22    
HELIX   42  42 LEU C  196  VAL C  201  5                                   6    
HELIX   43  43 GLY C  203  ALA C  215  1                                  13    
HELIX   44  44 ASP C  222  SER C  235  1                                  14    
HELIX   45  45 ASP C  236  SER C  239  5                                   4    
HELIX   46  46 GLY C  251  ALA C  254  5                                   4    
HELIX   47  47 SER D   19  LEU D   31  1                                  13    
HELIX   48  48 LYS D   41  LEU D   52  1                                  12    
HELIX   49  49 GLU D   53  LEU D   55  5                                   3    
HELIX   50  50 SER D   69  GLY D   85  1                                  17    
HELIX   51  51 ASN D   98  LEU D  102  5                                   5    
HELIX   52  52 ARG D  105  THR D  109  5                                   5    
HELIX   53  53 SER D  110  SER D  122  1                                  13    
HELIX   54  54 SER D  122  LYS D  134  1                                  13    
HELIX   55  55 TYR D  147  GLU D  151  5                                   5    
HELIX   56  56 TYR D  157  GLY D  179  1                                  23    
HELIX   57  57 LEU D  196  VAL D  201  5                                   6    
HELIX   58  58 GLY D  203  ALA D  215  1                                  13    
HELIX   59  59 ASP D  222  SER D  235  1                                  14    
HELIX   60  60 ASP D  236  SER D  239  5                                   4    
HELIX   61  61 GLY D  251  ALA D  254  5                                   4    
HELIX   62  62 SER E   19  LEU E   31  1                                  13    
HELIX   63  63 LYS E   41  LEU E   52  1                                  12    
HELIX   64  64 GLU E   53  LEU E   55  5                                   3    
HELIX   65  65 SER E   69  GLY E   85  1                                  17    
HELIX   66  66 ASN E   98  LEU E  102  5                                   5    
HELIX   67  67 ARG E  105  THR E  109  5                                   5    
HELIX   68  68 SER E  110  SER E  122  1                                  13    
HELIX   69  69 SER E  122  LYS E  134  1                                  13    
HELIX   70  70 TYR E  147  GLU E  151  5                                   5    
HELIX   71  71 ASN E  158  GLY E  179  1                                  22    
HELIX   72  72 LEU E  196  VAL E  201  5                                   6    
HELIX   73  73 GLY E  203  ALA E  215  1                                  13    
HELIX   74  74 ASP E  222  SER E  235  1                                  14    
HELIX   75  75 ASP E  236  SER E  239  5                                   4    
HELIX   76  76 GLY E  251  ALA E  254  5                                   4    
HELIX   77  77 SER F   19  LEU F   31  1                                  13    
HELIX   78  78 LYS F   41  LEU F   52  1                                  12    
HELIX   79  79 GLU F   53  LEU F   55  5                                   3    
HELIX   80  80 SER F   69  GLY F   85  1                                  17    
HELIX   81  81 ASN F   98  ARG F  103  1                                   6    
HELIX   82  82 ARG F  105  THR F  109  5                                   5    
HELIX   83  83 SER F  110  SER F  122  1                                  13    
HELIX   84  84 SER F  122  LYS F  134  1                                  13    
HELIX   85  85 TYR F  147  GLU F  151  5                                   5    
HELIX   86  86 TYR F  157  GLY F  179  1                                  23    
HELIX   87  87 LEU F  196  GLY F  200  5                                   5    
HELIX   88  88 GLY F  203  ALA F  215  1                                  13    
HELIX   89  89 ASP F  222  SER F  235  1                                  14    
HELIX   90  90 ASP F  236  SER F  239  5                                   4    
HELIX   91  91 GLY F  251  ALA F  254  5                                   4    
HELIX   92  92 SER G   19  LEU G   31  1                                  13    
HELIX   93  93 LYS G   41  LEU G   52  1                                  12    
HELIX   94  94 SER G   69  GLY G   85  1                                  17    
HELIX   95  95 ASN G   98  ARG G  103  5                                   6    
HELIX   96  96 ARG G  105  THR G  109  5                                   5    
HELIX   97  97 SER G  110  SER G  122  1                                  13    
HELIX   98  98 SER G  122  LYS G  134  1                                  13    
HELIX   99  99 TYR G  147  GLU G  151  5                                   5    
HELIX  100 100 TYR G  157  GLY G  179  1                                  23    
HELIX  101 101 LEU G  196  VAL G  201  5                                   6    
HELIX  102 102 GLY G  203  ALA G  215  1                                  13    
HELIX  103 103 ASP G  222  SER G  235  1                                  14    
HELIX  104 104 ASP G  236  SER G  239  5                                   4    
HELIX  105 105 GLY G  251  ALA G  254  5                                   4    
HELIX  106 106 SER H   19  LEU H   31  1                                  13    
HELIX  107 107 LYS H   41  LEU H   55  1                                  15    
HELIX  108 108 SER H   69  GLY H   85  1                                  17    
HELIX  109 109 ASN H   98  ARG H  103  5                                   6    
HELIX  110 110 ARG H  105  THR H  109  5                                   5    
HELIX  111 111 SER H  110  SER H  122  1                                  13    
HELIX  112 112 SER H  122  LYS H  134  1                                  13    
HELIX  113 113 TYR H  147  GLU H  151  5                                   5    
HELIX  114 114 TYR H  157  GLY H  179  1                                  23    
HELIX  115 115 LEU H  196  VAL H  201  5                                   6    
HELIX  116 116 GLY H  203  ALA H  215  1                                  13    
HELIX  117 117 ASP H  222  SER H  235  1                                  14    
HELIX  118 118 ASP H  236  SER H  239  5                                   4    
HELIX  119 119 GLY H  251  ALA H  254  5                                   4    
SHEET    1  AA 7 LEU A  62  GLN A  64  0                                        
SHEET    2  AA 7 LYS A  34  TYR A  39  1  O  PHE A  37   N  TYR A  63           
SHEET    3  AA 7 THR A   8  MET A  12  1  O  TYR A   9   N  VAL A  36           
SHEET    4  AA 7 GLY A  89  HIS A  92  1  O  GLY A  89   N  VAL A  10           
SHEET    5  AA 7 GLY A 140  THR A 146  1  O  SER A 141   N  VAL A  90           
SHEET    6  AA 7 ILE A 183  ALA A 190  1  O  ARG A 184   N  ILE A 142           
SHEET    7  AA 7 ASN A 245  VAL A 248  1  O  ILE A 246   N  SER A 189           
SHEET    1  BA 7 LEU B  62  GLN B  64  0                                        
SHEET    2  BA 7 LYS B  34  TYR B  39  1  O  PHE B  37   N  TYR B  63           
SHEET    3  BA 7 THR B   8  MET B  12  1  O  TYR B   9   N  VAL B  36           
SHEET    4  BA 7 GLY B  89  HIS B  92  1  O  GLY B  89   N  VAL B  10           
SHEET    5  BA 7 GLY B 140  THR B 146  1  O  SER B 141   N  VAL B  90           
SHEET    6  BA 7 ILE B 183  ALA B 190  1  O  ARG B 184   N  ILE B 142           
SHEET    7  BA 7 ASN B 245  VAL B 248  1  O  ILE B 246   N  SER B 189           
SHEET    1  CA 7 HIS C  61  GLN C  64  0                                        
SHEET    2  CA 7 LYS C  34  TYR C  39  1  O  LEU C  35   N  HIS C  61           
SHEET    3  CA 7 THR C   8  MET C  12  1  O  TYR C   9   N  VAL C  36           
SHEET    4  CA 7 GLY C  89  HIS C  92  1  O  GLY C  89   N  VAL C  10           
SHEET    5  CA 7 GLY C 140  THR C 146  1  O  SER C 141   N  VAL C  90           
SHEET    6  CA 7 ILE C 183  ALA C 190  1  O  ARG C 184   N  ILE C 142           
SHEET    7  CA 7 ASN C 245  VAL C 248  1  O  ILE C 246   N  SER C 189           
SHEET    1  DA 7 LEU D  62  GLN D  64  0                                        
SHEET    2  DA 7 LYS D  34  TYR D  39  1  O  PHE D  37   N  TYR D  63           
SHEET    3  DA 7 THR D   8  MET D  12  1  O  TYR D   9   N  VAL D  36           
SHEET    4  DA 7 GLY D  89  HIS D  92  1  O  GLY D  89   N  VAL D  10           
SHEET    5  DA 7 GLY D 140  THR D 146  1  O  SER D 141   N  VAL D  90           
SHEET    6  DA 7 ILE D 183  ALA D 190  1  O  ARG D 184   N  ILE D 142           
SHEET    7  DA 7 ASN D 245  VAL D 248  1  O  ILE D 246   N  SER D 189           
SHEET    1  EA 7 LEU E  62  GLN E  64  0                                        
SHEET    2  EA 7 LYS E  34  TYR E  39  1  O  PHE E  37   N  TYR E  63           
SHEET    3  EA 7 THR E   8  MET E  12  1  O  TYR E   9   N  VAL E  36           
SHEET    4  EA 7 GLY E  89  HIS E  92  1  O  GLY E  89   N  VAL E  10           
SHEET    5  EA 7 GLY E 140  THR E 146  1  O  SER E 141   N  VAL E  90           
SHEET    6  EA 7 ILE E 183  ALA E 190  1  O  ARG E 184   N  ILE E 142           
SHEET    7  EA 7 ASN E 245  VAL E 248  1  O  ILE E 246   N  SER E 189           
SHEET    1  FA 7 LEU F  62  GLN F  64  0                                        
SHEET    2  FA 7 LYS F  34  TYR F  39  1  O  PHE F  37   N  TYR F  63           
SHEET    3  FA 7 THR F   8  MET F  12  1  O  TYR F   9   N  VAL F  36           
SHEET    4  FA 7 GLY F  89  HIS F  92  1  O  GLY F  89   N  VAL F  10           
SHEET    5  FA 7 GLY F 140  THR F 146  1  O  SER F 141   N  VAL F  90           
SHEET    6  FA 7 ILE F 183  ALA F 190  1  O  ARG F 184   N  ILE F 142           
SHEET    7  FA 7 ASN F 245  VAL F 248  1  O  ILE F 246   N  SER F 189           
SHEET    1  GA 7 LEU G  62  GLN G  64  0                                        
SHEET    2  GA 7 LYS G  34  TYR G  39  1  O  PHE G  37   N  TYR G  63           
SHEET    3  GA 7 THR G   8  MET G  12  1  O  TYR G   9   N  VAL G  36           
SHEET    4  GA 7 GLY G  89  HIS G  92  1  O  GLY G  89   N  VAL G  10           
SHEET    5  GA 7 GLY G 140  THR G 146  1  O  SER G 141   N  VAL G  90           
SHEET    6  GA 7 ILE G 183  ALA G 190  1  O  ARG G 184   N  ILE G 142           
SHEET    7  GA 7 GLU G 244  VAL G 248  1  O  GLU G 244   N  ALA G 187           
SHEET    1  HA 7 LEU H  62  GLN H  64  0                                        
SHEET    2  HA 7 LYS H  34  TYR H  39  1  O  PHE H  37   N  TYR H  63           
SHEET    3  HA 7 THR H   8  MET H  12  1  O  TYR H   9   N  VAL H  36           
SHEET    4  HA 7 GLY H  89  HIS H  92  1  O  GLY H  89   N  VAL H  10           
SHEET    5  HA 7 GLY H 140  THR H 146  1  O  SER H 141   N  VAL H  90           
SHEET    6  HA 7 ILE H 183  ALA H 190  1  O  ARG H 184   N  ILE H 142           
SHEET    7  HA 7 ASN H 245  VAL H 248  1  O  ILE H 246   N  SER H 189           
SITE     1 AC1 32 GLY A  13  ILE A  14  ALA A  15  SER A  19                    
SITE     2 AC1 32 ILE A  20  ARG A  40  LYS A  41  SER A  44                    
SITE     3 AC1 32 ILE A  65  ASP A  66  VAL A  67  SER A  93                    
SITE     4 AC1 32 ILE A  94  ALA A  95  ILE A 120  THR A 145                    
SITE     5 AC1 32 THR A 146  TYR A 147  LYS A 164  ALA A 190                    
SITE     6 AC1 32 GLY A 191  PRO A 192  ILE A 193  THR A 195                    
SITE     7 AC1 32 SER A 197  CH8 A1258  HOH A2012  HOH A2013                    
SITE     8 AC1 32 HOH A2014  HOH A2016  GLU E 100  HOH E2077                    
SITE     1 AC2  7 ARG A 103  GLY A 203  PHE A 204  ASN A 205                    
SITE     2 AC2  7 THR A 206  HOH A2094  LYS E 199                               
SITE     1 AC3  8 ALA A  95  LEU A 102  TYR A 147  TYR A 157                    
SITE     2 AC3  8 SER A 197  ALA A 198  PHE A 204  NAP A 400                    
SITE     1 AC4 31 GLY B  13  ILE B  14  ALA B  15  SER B  19                    
SITE     2 AC4 31 ILE B  20  ARG B  40  LYS B  41  SER B  44                    
SITE     3 AC4 31 ILE B  65  ASP B  66  VAL B  67  SER B  93                    
SITE     4 AC4 31 ILE B  94  ALA B  95  ILE B 120  THR B 145                    
SITE     5 AC4 31 THR B 146  TYR B 147  LYS B 164  ALA B 190                    
SITE     6 AC4 31 GLY B 191  PRO B 192  ILE B 193  THR B 195                    
SITE     7 AC4 31 SER B 197  CH8 B1258  HOH B2012  HOH B2013                    
SITE     8 AC4 31 HOH B2014  HOH B2016  HOH B2178                               
SITE     1 AC5  6 ARG B 103  GLY B 203  PHE B 204  ASN B 205                    
SITE     2 AC5  6 THR B 206  LYS G 199                                          
SITE     1 AC6  7 LEU B 102  TYR B 147  TYR B 157  MET B 160                    
SITE     2 AC6  7 SER B 197  ALA B 198  NAP B 400                               
SITE     1 AC7 31 GLY C  13  ILE C  14  ALA C  15  SER C  19                    
SITE     2 AC7 31 ILE C  20  ARG C  40  LYS C  41  SER C  44                    
SITE     3 AC7 31 ILE C  65  ASP C  66  VAL C  67  SER C  93                    
SITE     4 AC7 31 ILE C  94  ALA C  95  ILE C 120  THR C 145                    
SITE     5 AC7 31 THR C 146  LYS C 164  ALA C 190  GLY C 191                    
SITE     6 AC7 31 PRO C 192  ILE C 193  THR C 195  SER C 197                    
SITE     7 AC7 31 CH8 C1258  HOH C2010  HOH C2011  HOH C2012                    
SITE     8 AC7 31 HOH C2014  HOH C2144  GLU F 100                               
SITE     1 AC8  6 ARG C 103  GLY C 203  PHE C 204  ASN C 205                    
SITE     2 AC8  6 HOH C2127  HOH C2130                                          
SITE     1 AC9  8 ALA C  95  TYR C 147  TYR C 157  MET C 160                    
SITE     2 AC9  8 SER C 197  ALA C 198  VAL C 201  NAP C 400                    
SITE     1 BC1 32 GLY D  13  ILE D  14  ALA D  15  SER D  19                    
SITE     2 BC1 32 ILE D  20  ARG D  40  LYS D  41  SER D  44                    
SITE     3 BC1 32 ILE D  65  ASP D  66  VAL D  67  SER D  93                    
SITE     4 BC1 32 ILE D  94  ALA D  95  ILE D 120  THR D 145                    
SITE     5 BC1 32 THR D 146  TYR D 147  LYS D 164  ALA D 190                    
SITE     6 BC1 32 GLY D 191  PRO D 192  ILE D 193  THR D 195                    
SITE     7 BC1 32 SER D 197  CH8 D1257  HOH D2009  HOH D2010                    
SITE     8 BC1 32 HOH D2011  HOH D2012  HOH D2024  HOH D2105                    
SITE     1 BC2  9 ALA D  95  LEU D 102  TYR D 147  TYR D 157                    
SITE     2 BC2  9 LYS D 164  SER D 197  ALA D 198  VAL D 201                    
SITE     3 BC2  9 NAP D 400                                                     
SITE     1 BC3 32 GLU A 100  HOH A2092  GLY E  13  ILE E  14                    
SITE     2 BC3 32 ALA E  15  SER E  19  ILE E  20  ARG E  40                    
SITE     3 BC3 32 LYS E  41  SER E  44  ILE E  65  ASP E  66                    
SITE     4 BC3 32 VAL E  67  SER E  93  ILE E  94  ALA E  95                    
SITE     5 BC3 32 ILE E 120  THR E 145  THR E 146  TYR E 147                    
SITE     6 BC3 32 LYS E 164  ALA E 190  GLY E 191  PRO E 192                    
SITE     7 BC3 32 ILE E 193  THR E 195  SER E 197  CH8 E1259                    
SITE     8 BC3 32 HOH E2008  HOH E2009  HOH E2010  HOH E2013                    
SITE     1 BC4  9 LYS E   7  ASP E  88  GLY E 140  ASN E 182                    
SITE     2 BC4  9 ARG E 184  LEU E 234  SER E 235  HOH E2068                    
SITE     3 BC4  9 HOH E2157                                                     
SITE     1 BC5  6 LYS A 199  ARG E 103  GLY E 203  PHE E 204                    
SITE     2 BC5  6 ASN E 205  HOH E2136                                          
SITE     1 BC6  8 ALA E  95  LEU E 102  TYR E 147  TYR E 157                    
SITE     2 BC6  8 SER E 197  ALA E 198  PHE E 204  NAP E 400                    
SITE     1 BC7 31 GLY F  13  ILE F  14  ALA F  15  SER F  19                    
SITE     2 BC7 31 ILE F  20  ARG F  40  LYS F  41  SER F  44                    
SITE     3 BC7 31 ILE F  65  ASP F  66  VAL F  67  SER F  93                    
SITE     4 BC7 31 ILE F  94  ALA F  95  ILE F 120  THR F 145                    
SITE     5 BC7 31 THR F 146  TYR F 147  LYS F 164  ALA F 190                    
SITE     6 BC7 31 GLY F 191  PRO F 192  ILE F 193  THR F 195                    
SITE     7 BC7 31 SER F 197  CH8 F1258  HOH F2016  HOH F2017                    
SITE     8 BC7 31 HOH F2018  HOH F2020  HOH F2165                               
SITE     1 BC8  6 LYS C 199  ARG F 103  GLY F 203  PHE F 204                    
SITE     2 BC8  6 ASN F 205  HOH F2088                                          
SITE     1 BC9  7 LEU F 102  TYR F 147  TYR F 157  MET F 160                    
SITE     2 BC9  7 SER F 197  ALA F 198  NAP F 400                               
SITE     1 CC1  7 LYS F   7  ASP F  88  GLY F 140  ASN F 182                    
SITE     2 CC1  7 ARG F 184  LEU F 234  HOH F2153                               
SITE     1 CC2 31 GLU B 100  GLY G  13  ILE G  14  ALA G  15                    
SITE     2 CC2 31 SER G  19  ILE G  20  ARG G  40  LYS G  41                    
SITE     3 CC2 31 SER G  44  ILE G  65  ASP G  66  VAL G  67                    
SITE     4 CC2 31 SER G  93  ILE G  94  ALA G  95  ILE G 120                    
SITE     5 CC2 31 THR G 145  THR G 146  LYS G 164  ALA G 190                    
SITE     6 CC2 31 PRO G 192  ILE G 193  THR G 195  SER G 197                    
SITE     7 CC2 31 CH8 G1258  HOH G2018  HOH G2019  HOH G2020                    
SITE     8 CC2 31 HOH G2022  HOH G2068  HOH G2148                               
SITE     1 CC3  6 LYS B 199  ARG G 103  GLY G 203  PHE G 204                    
SITE     2 CC3  6 ASN G 205  HOH G2111                                          
SITE     1 CC4  6 TYR G 147  TYR G 157  SER G 197  ALA G 198                    
SITE     2 CC4  6 VAL G 201  NAP G 400                                          
SITE     1 CC5 31 GLY H  13  ILE H  14  ALA H  15  SER H  19                    
SITE     2 CC5 31 ILE H  20  ARG H  40  LYS H  41  SER H  44                    
SITE     3 CC5 31 ILE H  65  ASP H  66  VAL H  67  SER H  93                    
SITE     4 CC5 31 ILE H  94  ALA H  95  ILE H 120  THR H 145                    
SITE     5 CC5 31 THR H 146  TYR H 147  LYS H 164  ALA H 190                    
SITE     6 CC5 31 GLY H 191  PRO H 192  ILE H 193  THR H 195                    
SITE     7 CC5 31 SER H 197  CH8 H1257  HOH H2005  HOH H2006                    
SITE     8 CC5 31 HOH H2007  HOH H2008  HOH H2081                               
SITE     1 CC6  7 TYR H 147  TYR H 157  MET H 160  SER H 197                    
SITE     2 CC6  7 ALA H 198  VAL H 201  NAP H 400                               
CRYST1   90.240   94.756   94.803  97.95 112.35  97.36 P 1           8          
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      0.011082  0.001431  0.004952        0.00000                         
SCALE2      0.000000  0.010641  0.002216        0.00000                         
SCALE3      0.000000  0.000000  0.011650        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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