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Database: PDB
Entry: 4D41
LinkDB: 4D41
Original site: 4D41 
HEADER    OXIDOREDUCTASE                          26-OCT-14   4D41              
TITLE     CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP              
TITLE    2 AND 5-HEXYL-2-(4-NITROPHENOXY)PHENOL                                 
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, ENOYL-ACP REDUCTASE;                                   
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_PLASMID: PETM-11                                   
KEYWDS    SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY, FATTY ACID           
KEYWDS   2 BIOSYNTHESIS, LIPID SYNTHESIS, SAFABI, FABI, OXIDOREDUCTASE          
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.SCHIEBEL,A.CHANG,P.J.TONGE,C.A.SOTRIFFER,C.KISKER                   
REVDAT   2   15-APR-15 4D41    1       JRNL                                     
REVDAT   1   04-MAR-15 4D41    0                                                
JRNL        AUTH   J.SCHIEBEL,A.CHANG,B.MERGET,G.R.BOMMINENI,W.YU,              
JRNL        AUTH 2 L.A.SPAGNUOLO,M.V.BAXTER,M.TAREILUS,P.J.TONGE,C.KISKER,      
JRNL        AUTH 3 C.A.SOTRIFFER                                                
JRNL        TITL   AN ORDERED WATER CHANNEL IN STAPHYLOCOCCUS AUREUS FABI:      
JRNL        TITL 2 UNRAVELING THE MECHANISM OF SUBSTRATE RECOGNITION AND        
JRNL        TITL 3 REDUCTION.                                                   
JRNL        REF    BIOCHEMISTRY                  V.  54  1943 2015              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   25706582                                                     
JRNL        DOI    10.1021/BI5014358                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 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) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.82                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NONE                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.78                          
REMARK   3   NUMBER OF REFLECTIONS             : 114843                         
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) : 0.15521                         
REMARK   3   R VALUE            (WORKING SET) : 0.15217                         
REMARK   3   FREE R VALUE                     : 0.21287                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.1                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 6135                            
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) : 2.300                        
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.360                        
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 8379                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 96.02                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.231                        
REMARK   3   BIN FREE R VALUE SET COUNT          : 480                          
REMARK   3   BIN FREE R VALUE                    : 0.286                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 16105                                   
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 682                                     
REMARK   3   SOLVENT ATOMS            : 929                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.708                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 2.42                                                 
REMARK   3    B22 (A**2) : -0.92                                                
REMARK   3    B33 (A**2) : -1.18                                                
REMARK   3    B12 (A**2) : 0.14                                                 
REMARK   3    B13 (A**2) : 0.59                                                 
REMARK   3    B23 (A**2) : -0.51                                                
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.229         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.198         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.145         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 12.829        
REMARK   3                                                                      
REMARK   3  CORRELATION COEFFICIENTS.                                           
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.964                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.926                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A): 17058 ; 0.010 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 23096 ; 1.676 ; 1.998       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  2114 ; 6.995 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   764 ;39.917 ;24.843       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  2972 ;17.844 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):   105 ;20.398 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  2577 ; 0.084 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 13117 ; 0.012 ; 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): 10370 ; 1.204 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 16587 ; 1.976 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  6688 ; 3.650 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  6492 ; 5.419 ; 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  : 56                                         
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): -35.3098   3.8581  20.1254              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1452 T22:   0.0478                                     
REMARK   3      T33:   0.1016 T12:   0.0238                                     
REMARK   3      T13:  -0.0588 T23:   0.0170                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.8993 L22:   3.3213                                     
REMARK   3      L33:   4.3943 L12:   1.6713                                     
REMARK   3      L13:  -0.9461 L23:   0.5793                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1589 S12:   0.1554 S13:  -0.1113                       
REMARK   3      S21:  -0.3642 S22:  -0.0532 S23:   0.2406                       
REMARK   3      S31:  -0.1400 S32:  -0.2655 S33:   0.2121                       
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): -34.6849  12.4627  18.7835              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2043 T22:   0.1014                                     
REMARK   3      T33:   0.1462 T12:   0.0486                                     
REMARK   3      T13:  -0.0790 T23:   0.0503                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2474 L22:   3.1508                                     
REMARK   3      L33:   1.7078 L12:   0.9684                                     
REMARK   3      L13:   0.5991 L23:  -0.0588                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0100 S12:   0.0642 S13:   0.3553                       
REMARK   3      S21:  -0.4224 S22:  -0.1201 S23:   0.3986                       
REMARK   3      S31:  -0.3093 S32:  -0.1419 S33:   0.1301                       
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): -30.0562  10.8000  32.2612              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1329 T22:   0.0143                                     
REMARK   3      T33:   0.0623 T12:   0.0196                                     
REMARK   3      T13:   0.0056 T23:   0.0049                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7410 L22:   1.6282                                     
REMARK   3      L33:   1.4060 L12:   0.4933                                     
REMARK   3      L13:   0.3469 L23:  -0.3610                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0057 S12:   0.0742 S13:   0.3640                       
REMARK   3      S21:  -0.1286 S22:  -0.0773 S23:   0.1303                       
REMARK   3      S31:  -0.2429 S32:  -0.0288 S33:   0.0830                       
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): -24.5067   1.4076  36.8307              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0715 T22:   0.0290                                     
REMARK   3      T33:   0.0538 T12:  -0.0051                                     
REMARK   3      T13:   0.0414 T23:   0.0032                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1251 L22:   0.8389                                     
REMARK   3      L33:   0.4796 L12:  -0.1016                                     
REMARK   3      L13:   0.2347 L23:  -0.0999                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0221 S12:  -0.0359 S13:   0.0292                       
REMARK   3      S21:   0.0301 S22:  -0.0521 S23:   0.0337                       
REMARK   3      S31:  -0.0898 S32:   0.0049 S33:   0.0299                       
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): -27.4691  -4.5999  35.5184              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0488 T22:   0.0305                                     
REMARK   3      T33:   0.0657 T12:   0.0010                                     
REMARK   3      T13:   0.0228 T23:  -0.0057                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7075 L22:   1.1233                                     
REMARK   3      L33:   1.4112 L12:   0.1729                                     
REMARK   3      L13:  -0.1321 L23:   0.0864                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1487 S12:  -0.0042 S13:  -0.1050                       
REMARK   3      S21:  -0.0611 S22:  -0.0053 S23:   0.0751                       
REMARK   3      S31:   0.1115 S32:   0.0181 S33:   0.1540                       
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): -13.6151  -5.1246  18.8085              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1046 T22:   0.2600                                     
REMARK   3      T33:   0.2255 T12:  -0.0384                                     
REMARK   3      T13:   0.0342 T23:   0.0550                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.7376 L22:   6.9562                                     
REMARK   3      L33:   2.9139 L12:  -1.2875                                     
REMARK   3      L13:  -1.1575 L23:   1.9957                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1629 S12:   0.2117 S13:   0.2374                       
REMARK   3      S21:  -0.4226 S22:  -0.0781 S23:  -1.1526                       
REMARK   3      S31:  -0.2940 S32:   0.2252 S33:  -0.0847                       
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): -29.3837 -10.9543  23.0164              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0772 T22:   0.0157                                     
REMARK   3      T33:   0.0430 T12:  -0.0068                                     
REMARK   3      T13:  -0.0006 T23:   0.0037                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0644 L22:   1.0296                                     
REMARK   3      L33:   1.9220 L12:  -0.1775                                     
REMARK   3      L13:  -0.2504 L23:   0.4929                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0351 S12:   0.1215 S13:  -0.0973                       
REMARK   3      S21:  -0.1037 S22:  -0.0228 S23:   0.1414                       
REMARK   3      S31:  -0.0233 S32:  -0.0220 S33:   0.0578                       
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):  -5.4163 -12.6901  61.5792              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1730 T22:   0.0256                                     
REMARK   3      T33:   0.0190 T12:   0.0224                                     
REMARK   3      T13:  -0.0390 T23:  -0.0079                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6975 L22:   3.9958                                     
REMARK   3      L33:   6.9394 L12:  -1.3697                                     
REMARK   3      L13:  -1.1899 L23:   0.2390                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2089 S12:  -0.1123 S13:  -0.0782                       
REMARK   3      S21:   0.3826 S22:   0.1619 S23:  -0.1074                       
REMARK   3      S31:   0.3155 S32:   0.0356 S33:   0.0470                       
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):  -3.8113  -6.1062  67.3595              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2412 T22:   0.1985                                     
REMARK   3      T33:   0.0636 T12:  -0.0081                                     
REMARK   3      T13:  -0.0965 T23:  -0.0226                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9861 L22:   4.8044                                     
REMARK   3      L33:   3.1770 L12:  -4.9156                                     
REMARK   3      L13:  -0.2710 L23:   1.1503                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0668 S12:  -0.3061 S13:   0.3576                       
REMARK   3      S21:   0.3085 S22:   0.1396 S23:  -0.4239                       
REMARK   3      S31:   0.0755 S32:   0.1633 S33:  -0.0728                       
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):  -7.6407   0.6940  55.3481              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1540 T22:   0.0801                                     
REMARK   3      T33:   0.0150 T12:  -0.0180                                     
REMARK   3      T13:  -0.0073 T23:  -0.0157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8442 L22:   1.7601                                     
REMARK   3      L33:   1.4619 L12:  -1.1074                                     
REMARK   3      L13:   0.4788 L23:   0.2031                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0701 S12:  -0.2182 S13:   0.2140                       
REMARK   3      S21:   0.2612 S22:   0.0692 S23:  -0.1225                       
REMARK   3      S31:  -0.0872 S32:   0.0725 S33:   0.0009                       
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): -15.1153  -2.8153  47.4210              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0778 T22:   0.0248                                     
REMARK   3      T33:   0.0213 T12:   0.0034                                     
REMARK   3      T13:   0.0231 T23:  -0.0098                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6615 L22:   0.8305                                     
REMARK   3      L33:   1.0728 L12:  -0.4225                                     
REMARK   3      L13:   0.4679 L23:   0.0508                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0372 S12:  -0.0613 S13:   0.1239                       
REMARK   3      S21:   0.0690 S22:   0.0388 S23:  -0.0503                       
REMARK   3      S31:  -0.0212 S32:   0.0293 S33:  -0.0016                       
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): -14.2333  -9.4175  45.3012              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0713 T22:   0.0437                                     
REMARK   3      T33:   0.0592 T12:  -0.0158                                     
REMARK   3      T13:   0.0105 T23:   0.0112                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5573 L22:   1.0272                                     
REMARK   3      L33:   1.9301 L12:  -0.4697                                     
REMARK   3      L13:  -0.5523 L23:   0.4874                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0115 S12:   0.0667 S13:   0.0157                       
REMARK   3      S21:   0.0612 S22:  -0.0249 S23:  -0.0516                       
REMARK   3      S31:  -0.0662 S32:   0.0324 S33:   0.0365                       
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): -28.9848 -14.1716  60.3969              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1004 T22:   0.2605                                     
REMARK   3      T33:   0.1208 T12:   0.0390                                     
REMARK   3      T13:   0.0507 T23:   0.0040                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0357 L22:  11.6821                                     
REMARK   3      L33:   4.1595 L12:   1.5544                                     
REMARK   3      L13:  -0.5230 L23:   2.6725                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1275 S12:  -0.5145 S13:   0.2403                       
REMARK   3      S21:   0.4235 S22:  -0.1545 S23:   0.9220                       
REMARK   3      S31:   0.2102 S32:  -0.4382 S33:   0.2820                       
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): -15.4838 -21.2936  52.2096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0755 T22:   0.0438                                     
REMARK   3      T33:   0.0321 T12:   0.0257                                     
REMARK   3      T13:   0.0014 T23:   0.0313                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1766 L22:   2.0278                                     
REMARK   3      L33:   2.4127 L12:   0.1327                                     
REMARK   3      L13:  -0.3289 L23:   0.8763                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0135 S12:  -0.0479 S13:  -0.0314                       
REMARK   3      S21:   0.2643 S22:   0.0160 S23:  -0.0127                       
REMARK   3      S31:   0.1814 S32:   0.0756 S33:  -0.0295                       
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):  -2.3802 -38.8438  46.2476              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2079 T22:   0.1095                                     
REMARK   3      T33:   0.1487 T12:   0.0749                                     
REMARK   3      T13:  -0.0359 T23:   0.0267                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2251 L22:   1.2250                                     
REMARK   3      L33:   3.2717 L12:   0.3042                                     
REMARK   3      L13:  -1.3784 L23:   1.6602                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0369 S12:  -0.1907 S13:  -0.2067                       
REMARK   3      S21:   0.1964 S22:   0.0776 S23:  -0.1445                       
REMARK   3      S31:   0.2573 S32:   0.2644 S33:  -0.1145                       
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):   0.0164 -46.9565  44.5251              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2436 T22:   0.0954                                     
REMARK   3      T33:   0.2793 T12:   0.0764                                     
REMARK   3      T13:  -0.0879 T23:   0.0687                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7716 L22:   1.4022                                     
REMARK   3      L33:   3.3784 L12:  -0.5484                                     
REMARK   3      L13:   0.4491 L23:   1.5792                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0319 S12:  -0.1533 S13:  -0.3609                       
REMARK   3      S21:   0.2192 S22:   0.0000 S23:  -0.1630                       
REMARK   3      S31:   0.3789 S32:   0.1853 S33:   0.0319                       
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): -13.8825 -46.6174  40.7753              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1810 T22:   0.0297                                     
REMARK   3      T33:   0.1541 T12:   0.0333                                     
REMARK   3      T13:  -0.0090 T23:   0.0074                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0882 L22:   0.8315                                     
REMARK   3      L33:   1.9306 L12:  -0.1830                                     
REMARK   3      L13:   0.3538 L23:  -0.4914                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0661 S12:  -0.1090 S13:  -0.3664                       
REMARK   3      S21:   0.0388 S22:  -0.0308 S23:  -0.0345                       
REMARK   3      S31:   0.3478 S32:   0.1827 S33:  -0.0353                       
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): -19.8368 -37.6151  36.3795              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0818 T22:   0.0105                                     
REMARK   3      T33:   0.1154 T12:   0.0201                                     
REMARK   3      T13:   0.0497 T23:  -0.0029                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0682 L22:   1.2043                                     
REMARK   3      L33:   2.4679 L12:   0.1439                                     
REMARK   3      L13:   0.6469 L23:  -1.1721                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0120 S12:  -0.0138 S13:  -0.1586                       
REMARK   3      S21:   0.1120 S22:   0.0156 S23:   0.0925                       
REMARK   3      S31:   0.1078 S32:   0.0114 S33:  -0.0276                       
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): -18.9702 -31.7129  39.9250              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0900 T22:   0.0353                                     
REMARK   3      T33:   0.1159 T12:   0.0234                                     
REMARK   3      T13:   0.0231 T23:   0.0229                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3479 L22:   0.7222                                     
REMARK   3      L33:   1.5706 L12:  -0.1536                                     
REMARK   3      L13:  -0.0140 L23:   0.8777                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0434 S12:  -0.0112 S13:  -0.0965                       
REMARK   3      S21:   0.1020 S22:   0.0462 S23:   0.0741                       
REMARK   3      S31:   0.2229 S32:   0.0657 S33:  -0.0896                       
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):  -3.2449 -27.3384  25.7971              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2516 T22:   0.2572                                     
REMARK   3      T33:   0.1357 T12:   0.0021                                     
REMARK   3      T13:   0.0660 T23:  -0.0523                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2797 L22:   7.7034                                     
REMARK   3      L33:   1.7859 L12:   0.8999                                     
REMARK   3      L13:   0.4080 L23:  -2.2581                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0379 S12:   0.2608 S13:  -0.3305                       
REMARK   3      S21:  -1.0998 S22:   0.0295 S23:  -0.4003                       
REMARK   3      S31:   0.1460 S32:   0.3641 S33:  -0.0674                       
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):  -7.6691 -24.0902  42.3243              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0528 T22:   0.0469                                     
REMARK   3      T33:   0.0509 T12:   0.0220                                     
REMARK   3      T13:   0.0017 T23:  -0.0046                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0617 L22:   1.0993                                     
REMARK   3      L33:   1.6534 L12:   0.4960                                     
REMARK   3      L13:  -0.2423 L23:   0.3694                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0745 S12:  -0.0414 S13:  -0.0763                       
REMARK   3      S21:   0.0409 S22:   0.0515 S23:  -0.1141                       
REMARK   3      S31:   0.0854 S32:   0.0885 S33:  -0.1260                       
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): -47.2200 -24.5230  20.2855              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0541 T22:   0.1026                                     
REMARK   3      T33:   0.2519 T12:  -0.0162                                     
REMARK   3      T13:  -0.0497 T23:  -0.0580                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0963 L22:   1.7825                                     
REMARK   3      L33:   5.2382 L12:   0.4546                                     
REMARK   3      L13:  -1.5460 L23:  -1.3758                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0552 S12:   0.2514 S13:  -0.0958                       
REMARK   3      S21:   0.0158 S22:  -0.0359 S23:   0.5237                       
REMARK   3      S31:  -0.1711 S32:  -0.3622 S33:  -0.0192                       
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): -51.9584 -31.7753  17.5338              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1002 T22:   0.4018                                     
REMARK   3      T33:   0.2976 T12:  -0.1050                                     
REMARK   3      T13:  -0.0735 T23:  -0.1338                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6295 L22:   8.6160                                     
REMARK   3      L33:   0.4017 L12:   0.8491                                     
REMARK   3      L13:   0.0824 L23:   1.5999                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0611 S12:   0.0951 S13:  -0.0028                       
REMARK   3      S21:  -0.1692 S22:  -0.1403 S23:   0.5606                       
REMARK   3      S31:   0.0136 S32:  -0.2296 S33:   0.2014                       
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): -38.9880 -36.9082  20.1797              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0605 T22:   0.1315                                     
REMARK   3      T33:   0.3146 T12:  -0.0483                                     
REMARK   3      T13:  -0.0042 T23:  -0.1589                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1936 L22:   1.7949                                     
REMARK   3      L33:   3.0526 L12:  -0.1544                                     
REMARK   3      L13:   1.5748 L23:  -1.6323                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1084 S12:   0.0113 S13:  -0.2887                       
REMARK   3      S21:  -0.1096 S22:  -0.1286 S23:   0.2094                       
REMARK   3      S31:   0.2381 S32:  -0.1394 S33:   0.0202                       
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): -31.2571 -33.3408  27.9593              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1009 T22:   0.0707                                     
REMARK   3      T33:   0.2145 T12:  -0.0306                                     
REMARK   3      T13:   0.0326 T23:  -0.0383                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8432 L22:   1.1095                                     
REMARK   3      L33:   0.9144 L12:  -0.0065                                     
REMARK   3      L13:   0.6870 L23:   0.0700                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0109 S12:   0.0971 S13:  -0.1876                       
REMARK   3      S21:   0.0891 S22:  -0.0383 S23:   0.3015                       
REMARK   3      S31:   0.0871 S32:   0.0034 S33:   0.0273                       
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): -30.1365 -26.6787  28.0775              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0665 T22:   0.0479                                     
REMARK   3      T33:   0.1190 T12:  -0.0099                                     
REMARK   3      T13:   0.0046 T23:  -0.0382                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3990 L22:   0.9344                                     
REMARK   3      L33:   0.0953 L12:   0.0087                                     
REMARK   3      L13:   0.2784 L23:  -0.1308                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0048 S12:   0.0370 S13:  -0.0610                       
REMARK   3      S21:   0.0203 S22:  -0.0066 S23:   0.0984                       
REMARK   3      S31:  -0.0121 S32:  -0.0185 S33:   0.0114                       
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): -44.9678 -25.9170  43.5365              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3808 T22:   0.4499                                     
REMARK   3      T33:   0.4213 T12:  -0.1420                                     
REMARK   3      T13:   0.0745 T23:   0.0926                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0472 L22:  17.1911                                     
REMARK   3      L33:   8.7761 L12:   0.9350                                     
REMARK   3      L13:   0.3724 L23:   9.1416                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3773 S12:  -0.4799 S13:  -0.2663                       
REMARK   3      S21:   2.1072 S22:  -0.2973 S23:   0.2652                       
REMARK   3      S31:   1.0458 S32:  -0.8007 S33:  -0.0800                       
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): -38.2718 -16.0515  30.9033              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0326 T22:   0.0171                                     
REMARK   3      T33:   0.1225 T12:   0.0092                                     
REMARK   3      T13:  -0.0050 T23:   0.0012                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1143 L22:   0.9341                                     
REMARK   3      L33:   1.6001 L12:  -0.0978                                     
REMARK   3      L13:  -0.4541 L23:  -0.1174                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0375 S12:  -0.0546 S13:  -0.0870                       
REMARK   3      S21:  -0.0494 S22:  -0.0356 S23:   0.1990                       
REMARK   3      S31:   0.0149 S32:  -0.1071 S33:   0.0731                       
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):   9.3666  18.9700  31.5582              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0764 T22:   0.1807                                     
REMARK   3      T33:   0.0538 T12:   0.0382                                     
REMARK   3      T13:  -0.0218 T23:   0.0468                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3814 L22:   2.8046                                     
REMARK   3      L33:   1.2514 L12:   0.8310                                     
REMARK   3      L13:   0.3572 L23:  -0.7751                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0462 S12:  -0.3699 S13:  -0.2946                       
REMARK   3      S21:   0.1138 S22:  -0.0085 S23:  -0.1198                       
REMARK   3      S31:   0.0200 S32:   0.3392 S33:   0.0547                       
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):   5.5043  15.2132  38.4625              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1876 T22:   0.1986                                     
REMARK   3      T33:   0.0612 T12:   0.0361                                     
REMARK   3      T13:  -0.0229 T23:   0.0883                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6291 L22:   2.5916                                     
REMARK   3      L33:   1.8520 L12:   0.1308                                     
REMARK   3      L13:  -0.1632 L23:  -0.6028                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0314 S12:  -0.5378 S13:  -0.2746                       
REMARK   3      S21:   0.5355 S22:   0.0245 S23:  -0.0267                       
REMARK   3      S31:   0.2099 S32:   0.2306 S33:  -0.0560                       
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):  -3.9514  25.0045  34.4105              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0853 T22:   0.0674                                     
REMARK   3      T33:   0.0301 T12:   0.0223                                     
REMARK   3      T13:   0.0130 T23:   0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6089 L22:   1.9774                                     
REMARK   3      L33:   1.2225 L12:   0.8664                                     
REMARK   3      L13:   0.6378 L23:   0.1511                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1023 S12:  -0.2515 S13:  -0.0762                       
REMARK   3      S21:   0.1839 S22:   0.0903 S23:   0.0875                       
REMARK   3      S31:  -0.0004 S32:   0.0454 S33:   0.0120                       
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):  -6.0561  28.3755  23.0773              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0823 T22:   0.0328                                     
REMARK   3      T33:   0.0532 T12:   0.0024                                     
REMARK   3      T13:   0.0117 T23:   0.0245                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9820 L22:   0.7726                                     
REMARK   3      L33:   0.9640 L12:  -0.1104                                     
REMARK   3      L13:  -0.1077 L23:   0.2082                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0232 S12:  -0.0724 S13:  -0.0562                       
REMARK   3      S21:   0.0979 S22:   0.0418 S23:  -0.0023                       
REMARK   3      S31:  -0.0163 S32:   0.1058 S33:  -0.0649                       
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):  -0.5013  30.3561  19.6839              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0718 T22:   0.0384                                     
REMARK   3      T33:   0.0680 T12:   0.0098                                     
REMARK   3      T13:   0.0093 T23:  -0.0040                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8792 L22:   0.3091                                     
REMARK   3      L33:   1.1101 L12:  -0.0021                                     
REMARK   3      L13:  -0.2080 L23:  -0.4499                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0238 S12:  -0.0865 S13:  -0.0178                       
REMARK   3      S21:   0.0101 S22:   0.0514 S23:   0.0595                       
REMARK   3      S31:  -0.0567 S32:  -0.0105 S33:  -0.0276                       
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):  -1.3598   9.7903  12.4568              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2623 T22:   0.1949                                     
REMARK   3      T33:   0.2689 T12:  -0.0731                                     
REMARK   3      T13:   0.0280 T23:   0.0078                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9676 L22:   3.4276                                     
REMARK   3      L33:   6.2784 L12:   0.8377                                     
REMARK   3      L13:  -0.5143 L23:   2.1085                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2389 S12:   0.3504 S13:  -0.2969                       
REMARK   3      S21:   0.1354 S22:   0.0165 S23:   0.1150                       
REMARK   3      S31:   1.0183 S32:  -0.7095 S33:   0.2224                       
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):  10.1047  22.1134  15.4500              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0852 T22:   0.0921                                     
REMARK   3      T33:   0.0872 T12:   0.0094                                     
REMARK   3      T13:  -0.0040 T23:  -0.0026                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5794 L22:   0.4702                                     
REMARK   3      L33:   0.6900 L12:  -0.2253                                     
REMARK   3      L13:  -0.8073 L23:   0.4216                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0864 S12:  -0.0225 S13:  -0.1231                       
REMARK   3      S21:   0.0473 S22:   0.1148 S23:  -0.0922                       
REMARK   3      S31:   0.0358 S32:   0.1368 S33:  -0.0284                       
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): -26.3003  44.5983   0.5527              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1027 T22:   0.0927                                     
REMARK   3      T33:   0.0506 T12:   0.0763                                     
REMARK   3      T13:   0.0088 T23:   0.0285                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3758 L22:   3.4624                                     
REMARK   3      L33:   3.8508 L12:   0.1710                                     
REMARK   3      L13:  -0.2245 L23:   0.4691                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0156 S12:   0.2715 S13:   0.1807                       
REMARK   3      S21:  -0.2092 S22:  -0.0070 S23:   0.1753                       
REMARK   3      S31:  -0.3057 S32:  -0.3221 S33:  -0.0087                       
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): -33.5682  46.6466   4.9713              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0519 T22:   0.1354                                     
REMARK   3      T33:   0.1386 T12:   0.0716                                     
REMARK   3      T13:  -0.0204 T23:   0.0245                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0709 L22:   2.6868                                     
REMARK   3      L33:   8.2143 L12:  -1.2955                                     
REMARK   3      L13:   1.1286 L23:   0.3876                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0629 S12:   0.0676 S13:   0.1785                       
REMARK   3      S21:  -0.1139 S22:   0.0510 S23:   0.1904                       
REMARK   3      S31:  -0.3707 S32:  -0.7114 S33:  -0.1139                       
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): -27.7179  36.4776  13.1014              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1205 T22:   0.0968                                     
REMARK   3      T33:   0.1289 T12:   0.0341                                     
REMARK   3      T13:   0.0339 T23:  -0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5082 L22:   0.4252                                     
REMARK   3      L33:   1.8223 L12:  -0.6632                                     
REMARK   3      L13:   0.3197 L23:   0.2920                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0092 S12:  -0.0657 S13:   0.0052                       
REMARK   3      S21:   0.0003 S22:  -0.0583 S23:   0.0692                       
REMARK   3      S31:  -0.1537 S32:  -0.3755 S33:   0.0675                       
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): -16.4491  34.1443  14.2871              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0274 T22:   0.0358                                     
REMARK   3      T33:   0.0777 T12:   0.0216                                     
REMARK   3      T13:  -0.0017 T23:   0.0003                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2213 L22:   0.6599                                     
REMARK   3      L33:   1.8717 L12:   0.2817                                     
REMARK   3      L13:   0.2984 L23:   0.4228                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0022 S12:   0.0209 S13:   0.0610                       
REMARK   3      S21:   0.0567 S22:  -0.0283 S23:   0.0937                       
REMARK   3      S31:   0.0180 S32:  -0.1093 S33:   0.0261                       
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   193                          
REMARK   3    ORIGIN FOR THE GROUP (A): -13.0150  33.5857   8.2451              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1243 T22:   0.0954                                     
REMARK   3      T33:   0.1435 T12:   0.0223                                     
REMARK   3      T13:   0.0040 T23:   0.0017                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7217 L22:   0.6890                                     
REMARK   3      L33:   1.0271 L12:  -0.6377                                     
REMARK   3      L13:  -0.2115 L23:  -0.1505                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0307 S12:   0.0677 S13:   0.0069                       
REMARK   3      S21:  -0.0521 S22:  -0.0631 S23:  -0.0097                       
REMARK   3      S31:  -0.0265 S32:  -0.0959 S33:   0.0324                       
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   194        F   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0249  54.4660  11.4061              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2541 T22:   0.0542                                     
REMARK   3      T33:   0.1672 T12:   0.0005                                     
REMARK   3      T13:   0.0079 T23:  -0.0697                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  13.8713 L22:   2.7448                                     
REMARK   3      L33:   7.1862 L12:   4.1611                                     
REMARK   3      L13:  -6.7541 L23:  -3.0805                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4070 S12:  -0.7650 S13:   0.5823                       
REMARK   3      S21:   0.1438 S22:  -0.1637 S23:  -0.0580                       
REMARK   3      S31:  -0.8694 S32:   0.3218 S33:  -0.2433                       
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 :   F   215        F   256                          
REMARK   3    ORIGIN FOR THE GROUP (A): -10.2322  43.1143  -1.3765              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1496 T22:   0.0566                                     
REMARK   3      T33:   0.0476 T12:   0.0226                                     
REMARK   3      T13:   0.0080 T23:   0.0125                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0042 L22:   1.9181                                     
REMARK   3      L33:   1.0914 L12:   0.4078                                     
REMARK   3      L13:  -0.5420 L23:   0.6207                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0599 S12:   0.1753 S13:   0.0712                       
REMARK   3      S21:  -0.1085 S22:  -0.0499 S23:   0.0659                       
REMARK   3      S31:  -0.2432 S32:  -0.0924 S33:  -0.0100                       
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     3        G    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.5076  36.6745 -22.9593              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1647 T22:   0.1877                                     
REMARK   3      T33:   0.1090 T12:   0.0747                                     
REMARK   3      T13:  -0.0342 T23:  -0.0276                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8288 L22:   1.4674                                     
REMARK   3      L33:   2.6170 L12:   1.0353                                     
REMARK   3      L13:  -0.8237 L23:   1.2837                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0446 S12:   0.4891 S13:   0.1432                       
REMARK   3      S21:  -0.1801 S22:  -0.0270 S23:   0.1788                       
REMARK   3      S31:  -0.1725 S32:  -0.3679 S33:   0.0716                       
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    30        G    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.6546  36.1187 -31.0644              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1320 T22:   0.2137                                     
REMARK   3      T33:   0.0155 T12:   0.0131                                     
REMARK   3      T13:  -0.0350 T23:   0.0293                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2818 L22:   2.9640                                     
REMARK   3      L33:   2.9476 L12:  -1.5432                                     
REMARK   3      L13:  -1.1034 L23:   0.8908                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1672 S12:   0.5262 S13:   0.0330                       
REMARK   3      S21:  -0.5101 S22:  -0.1540 S23:   0.1137                       
REMARK   3      S31:  -0.2968 S32:  -0.3792 S33:  -0.0132                       
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    62        G   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.3531  38.9700 -23.2491              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1805 T22:   0.1779                                     
REMARK   3      T33:   0.0435 T12:  -0.0344                                     
REMARK   3      T13:   0.0536 T23:   0.0249                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5787 L22:   0.7007                                     
REMARK   3      L33:   1.7228 L12:  -0.7904                                     
REMARK   3      L13:   0.8457 L23:  -0.4829                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0121 S12:   0.2527 S13:   0.1309                       
REMARK   3      S21:  -0.2197 S22:  -0.0223 S23:  -0.1188                       
REMARK   3      S31:  -0.0945 S32:   0.1290 S33:   0.0102                       
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   105        G   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.6196  36.0020 -12.4795              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1523 T22:   0.1136                                     
REMARK   3      T33:   0.0294 T12:  -0.0181                                     
REMARK   3      T13:   0.0349 T23:  -0.0174                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4296 L22:   1.3340                                     
REMARK   3      L33:   0.3922 L12:  -0.7536                                     
REMARK   3      L13:   0.1526 L23:  -0.4727                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0065 S12:   0.1486 S13:   0.0439                       
REMARK   3      S21:  -0.0405 S22:   0.0589 S23:  -0.0181                       
REMARK   3      S31:  -0.1350 S32:   0.0277 S33:  -0.0654                       
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   155        G   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.4373  37.1341  -7.8719              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1387 T22:   0.0539                                     
REMARK   3      T33:   0.0291 T12:  -0.0187                                     
REMARK   3      T13:   0.0375 T23:   0.0219                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1253 L22:   1.1725                                     
REMARK   3      L33:   0.4872 L12:  -0.5399                                     
REMARK   3      L13:   0.2119 L23:   0.5287                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0335 S12:   0.1050 S13:   0.0385                       
REMARK   3      S21:  -0.1309 S22:   0.0131 S23:  -0.0766                       
REMARK   3      S31:  -0.0704 S32:   0.0415 S33:  -0.0466                       
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   194        G   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.3102  16.5942 -12.2020              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2032 T22:   0.0585                                     
REMARK   3      T33:   0.1988 T12:   0.0285                                     
REMARK   3      T13:  -0.0005 T23:  -0.0932                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8970 L22:   5.8498                                     
REMARK   3      L33:   8.3282 L12:   3.0805                                     
REMARK   3      L13:  -3.6557 L23:  -6.9764                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2005 S12:   0.1810 S13:  -0.6553                       
REMARK   3      S21:  -0.5645 S22:  -0.1489 S23:  -0.2643                       
REMARK   3      S31:   0.6947 S32:   0.1803 S33:   0.3494                       
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 :   G   215        G   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -9.4035  31.7021  -7.6271              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1015 T22:   0.0919                                     
REMARK   3      T33:   0.0683 T12:   0.0257                                     
REMARK   3      T13:   0.0021 T23:  -0.0105                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2523 L22:   0.2839                                     
REMARK   3      L33:   1.2851 L12:  -0.0436                                     
REMARK   3      L13:  -0.1339 L23:   0.4698                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0486 S12:   0.1368 S13:  -0.0038                       
REMARK   3      S21:  -0.0302 S22:  -0.1090 S23:   0.0118                       
REMARK   3      S31:   0.0293 S32:  -0.0626 S33:   0.0603                       
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     3        H    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  30.6443  31.6746  13.7062              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0519 T22:   0.2694                                     
REMARK   3      T33:   0.1321 T12:  -0.0315                                     
REMARK   3      T13:  -0.0470 T23:  -0.0638                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9207 L22:   0.2193                                     
REMARK   3      L33:   2.8707 L12:  -0.2330                                     
REMARK   3      L13:  -1.5907 L23:   0.7365                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0769 S12:  -0.3036 S13:  -0.0359                       
REMARK   3      S21:  -0.0186 S22:   0.2244 S23:  -0.0709                       
REMARK   3      S31:  -0.0141 S32:   0.7194 S33:  -0.1475                       
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    30        H    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.5703  33.4068  10.3919              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0328 T22:   0.3063                                     
REMARK   3      T33:   0.2006 T12:  -0.0345                                     
REMARK   3      T13:  -0.0100 T23:  -0.1278                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8777 L22:   0.7569                                     
REMARK   3      L33:   5.8349 L12:   2.0430                                     
REMARK   3      L13:  -0.5269 L23:  -0.6202                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1902 S12:  -0.1190 S13:   0.0145                       
REMARK   3      S21:   0.0863 S22:  -0.0190 S23:  -0.0239                       
REMARK   3      S31:  -0.3323 S32:   0.6410 S33:  -0.1712                       
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    62        H   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  30.5333  30.7350  -1.1831              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0347 T22:   0.1975                                     
REMARK   3      T33:   0.0657 T12:  -0.0694                                     
REMARK   3      T13:   0.0393 T23:  -0.0640                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4735 L22:   2.6742                                     
REMARK   3      L33:   1.9897 L12:  -1.0418                                     
REMARK   3      L13:   0.5799 L23:  -0.4287                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0460 S12:   0.1382 S13:   0.1033                       
REMARK   3      S21:  -0.1662 S22:   0.0134 S23:  -0.2773                       
REMARK   3      S31:  -0.1502 S32:   0.5140 S33:  -0.0594                       
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   105        H   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.3550  32.9567  -2.6113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0442 T22:   0.1133                                     
REMARK   3      T33:   0.0468 T12:  -0.0628                                     
REMARK   3      T13:   0.0196 T23:  -0.0222                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6231 L22:   0.2105                                     
REMARK   3      L33:   1.0835 L12:  -0.3336                                     
REMARK   3      L13:   0.2683 L23:  -0.0953                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0037 S12:   0.0375 S13:   0.0542                       
REMARK   3      S21:  -0.0452 S22:   0.0891 S23:  -0.0038                       
REMARK   3      S31:  -0.0603 S32:   0.1597 S33:  -0.0928                       
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   155        H   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.2268  30.6782   2.5286              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0704 T22:   0.0882                                     
REMARK   3      T33:   0.0351 T12:  -0.0186                                     
REMARK   3      T13:   0.0187 T23:  -0.0148                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4539 L22:   1.1966                                     
REMARK   3      L33:   0.3732 L12:   0.7774                                     
REMARK   3      L13:   0.2402 L23:   0.4610                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0690 S12:   0.0377 S13:   0.0366                       
REMARK   3      S21:   0.1161 S22:   0.0786 S23:   0.0037                       
REMARK   3      S31:  -0.0078 S32:   0.1340 S33:  -0.0096                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    55                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   194        H   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4500  50.6490  10.4735              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2327 T22:   0.1779                                     
REMARK   3      T33:   0.2646 T12:  -0.0757                                     
REMARK   3      T13:  -0.0424 T23:   0.0655                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  12.6047 L22:   4.8269                                     
REMARK   3      L33:   9.3185 L12:  -2.3225                                     
REMARK   3      L13: -10.1851 L23:   0.7990                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.6281 S12:   0.5798 S13:   1.3650                       
REMARK   3      S21:  -0.0775 S22:   0.2143 S23:  -0.3099                       
REMARK   3      S31:  -0.9020 S32:  -0.3299 S33:  -0.8425                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    56                                                  
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):  14.8170  34.1973  15.8117              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0248 T22:   0.0825                                     
REMARK   3      T33:   0.0250 T12:  -0.0283                                     
REMARK   3      T13:  -0.0096 T23:  -0.0139                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1195 L22:   2.0055                                     
REMARK   3      L33:   1.4117 L12:   0.2644                                     
REMARK   3      L13:  -0.2856 L23:   0.1186                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0146 S12:  -0.1277 S13:   0.0029                       
REMARK   3      S21:  -0.0094 S22:   0.0776 S23:  -0.0613                       
REMARK   3      S31:  -0.0748 S32:   0.2657 S33:  -0.0631                       
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 4D41 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-OCT-14.                  
REMARK 100 THE PDBE ID CODE IS EBI-57461.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 09-JUN-12                          
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               : BESSY                              
REMARK 200  BEAMLINE                       : 14.1                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9184                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD (MARMOSAIC 225)                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IMOSFLM                            
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 120978                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.30                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.82                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 6.0                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.8                               
REMARK 200  DATA REDUNDANCY                : 2.2                                
REMARK 200  R MERGE                    (I) : 0.11                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.10                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.2                                
REMARK 200  R MERGE FOR SHELL          (I) : 0.44                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.00                               
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   (%): 57.89                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.92                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M NA/K-PHOSPHATE PH 6.5,             
REMARK 280  47% 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: 21660 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32380 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -107.2 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 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: 21590 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32330 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -108.0 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 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     VAL B     2                                                      
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     VAL C     2                                                      
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     VAL E     2                                                      
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     VAL F     2                                                      
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   OE1B GLU A    42     NH2  ARG A    45              2.15            
REMARK 500   NH2A ARG B   194     O    HOH B  2089              2.13            
REMARK 500   OH   TYR D   147     O    HOH D  2052              2.19            
REMARK 500   N  A GLY F   104     O    HOH F  2061              2.20            
REMARK 500   O  A GLY F   104     O    HOH F  2061              2.20            
REMARK 500   OE2A GLU H   112     O    HOH G  2047              2.15            
REMARK 500   O4   MPD E  1260     O    HOH E  2079              2.03            
REMARK 500   O    HOH B  2028     O    HOH B  2041              1.88            
REMARK 500   O    HOH F  2030     O    HOH F  2050              2.13            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   NH1  ARG C    43     O    HOH F  2058     2545     2.11            
REMARK 500   NH1  ARG G    43     O    HOH B  2051     2554     2.03            
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    ARG A  40      -64.84   -103.84                                   
REMARK 500    SER A 122      -66.31   -133.58                                   
REMARK 500    LEU A 148      -35.80    -37.51                                   
REMARK 500    ASN A 156       -8.89     81.78                                   
REMARK 500    ASN A 158     -123.82     44.37                                   
REMARK 500    ARG A 194       98.76    -58.71                                   
REMARK 500    ASP A 249       23.80   -152.30                                   
REMARK 500    ASN B   6       -2.57     70.34                                   
REMARK 500    SER B  93       54.50   -140.04                                   
REMARK 500    SER B 122      -55.09   -126.06                                   
REMARK 500    ASN B 156      -15.51     80.52                                   
REMARK 500    ASN B 158     -118.78     48.19                                   
REMARK 500    ASP B 249       20.73   -152.46                                   
REMARK 500    LEU C 102       21.80   -169.92                                   
REMARK 500    SER C 122      -58.88   -133.67                                   
REMARK 500    GLN C 155      131.89    -29.40                                   
REMARK 500    ASN C 156      -22.56     78.82                                   
REMARK 500    ASN C 158     -120.63     55.09                                   
REMARK 500    ASP C 249       20.48   -154.93                                   
REMARK 500    LYS D  46      -54.85    -22.10                                   
REMARK 500    MET D  99      -74.08    -11.51                                   
REMARK 500    GLU D 100        6.82    -57.96                                   
REMARK 500    LEU D 102       13.70   -165.44                                   
REMARK 500    SER D 122      -61.34   -129.73                                   
REMARK 500    ASN D 156       -8.48     90.13                                   
REMARK 500    ASN D 158     -123.87     48.03                                   
REMARK 500    ARG D 194       98.52    -59.96                                   
REMARK 500    ASP D 249       28.23   -151.09                                   
REMARK 500    SER D 250       22.04     48.40                                   
REMARK 500    SER E 122      -57.37   -137.13                                   
REMARK 500    ASN E 156      -21.48     80.97                                   
REMARK 500    ASN E 158     -125.81     45.82                                   
REMARK 500    ARG E 194      108.59    -59.51                                   
REMARK 500    PRO E 216      -39.46    -39.86                                   
REMARK 500    ASP E 249       21.22   -152.25                                   
REMARK 500    ARG F  40      -62.79   -101.01                                   
REMARK 500    GLU F 100      -53.70    -22.97                                   
REMARK 500    LEU F 102       19.01   -170.00                                   
REMARK 500    SER F 122      -53.38   -124.05                                   
REMARK 500    GLN F 155      133.98    -37.90                                   
REMARK 500    ASN F 156       -7.72     75.19                                   
REMARK 500    ASN F 158     -122.48     50.16                                   
REMARK 500    ARG F 194       98.08    -48.98                                   
REMARK 500    ASP F 249       27.69   -152.61                                   
REMARK 500    ASN G   6       -4.28     79.19                                   
REMARK 500    ASN G  16     -173.59   -170.66                                   
REMARK 500    GLU G 100       25.61    -69.02                                   
REMARK 500    LEU G 102       24.61   -162.94                                   
REMARK 500    ARG G 103      141.11    173.68                                   
REMARK 500    SER G 122      -61.13   -130.50                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      63 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 B1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 C1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 C1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 E1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 E1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 G1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 H1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU H1001                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD A1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU C1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU F1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD B1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU E1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD C1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU G1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD D1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD E1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD F1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD G1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD H1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP A1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP B1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP C1261                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP D1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP E1261                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP F1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP G1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP H1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA1 A1259                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4D42   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 4-FLUORO-5-HEXYL-2-PHENOXYPHENOL                           
REMARK 900 RELATED ID: 4D43   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 2-(2-CHLORO-4-NITROPHENOXY)-5-ETHYL-4-                     
REMARK 900  FLUOROPHENOL                                                        
REMARK 900 RELATED ID: 4D44   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-ETHYL-4-FLUORO-2-((2-FLUOROPYRIDIN-3-YL                  
REMARK 900  )OXY)PHENOL                                                         
REMARK 900 RELATED ID: 4D45   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-BROMO-2-(4-CHLORO-2-HYDROXYPHENOXY)                      
REMARK 900  BENZONITRILE                                                        
REMARK 900 RELATED ID: 4D46   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF E. COLI FABI IN COMPLEX WITH                   
REMARK 900  NAD AND 5-BROMO-2-(4-CHLORO-2-HYDROXYPHENOXY)                       
REMARK 900  BENZONITRILE                                                        
DBREF  4D41 A    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 B    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 C    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 D    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 E    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 F    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 G    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D41 H    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
SEQADV 4D41 MET A  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS A  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS A  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS A  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS A  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS A  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS A  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS A  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO A  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET A  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER A  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP A  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR A  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP A  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE A  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO A  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR A   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR A   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU A   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN A   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU A   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR A   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE A   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN A   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY A   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA A    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL A    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET B  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS B  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS B  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS B  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS B  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS B  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS B  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS B  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO B  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET B  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER B  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP B  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR B  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP B  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE B  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO B  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR B   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR B   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU B   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN B   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU B   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR B   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE B   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN B   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY B   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA B    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL B    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET C  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS C  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS C  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS C  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS C  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS C  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS C  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS C  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO C  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET C  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER C  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP C  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR C  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP C  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE C  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO C  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR C   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR C   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU C   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN C   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU C   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR C   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE C   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN C   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY C   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA C    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL C    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET D  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS D  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS D  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS D  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS D  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS D  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS D  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS D  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO D  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET D  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER D  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP D  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR D  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP D  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE D  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO D  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR D   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR D   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU D   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN D   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU D   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR D   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE D   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN D   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY D   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA D    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL D    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET E  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS E  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS E  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS E  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS E  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS E  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS E  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS E  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO E  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET E  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER E  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP E  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR E  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP E  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE E  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO E  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR E   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR E   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU E   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN E   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU E   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR E   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE E   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN E   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY E   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA E    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL E    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET F  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS F  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS F  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS F  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS F  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS F  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS F  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS F  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO F  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET F  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER F  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP F  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR F  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP F  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE F  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO F  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR F   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR F   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU F   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN F   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU F   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR F   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE F   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN F   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY F   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA F    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL F    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET G  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS G  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS G  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS G  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS G  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS G  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS G  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS G  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO G  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET G  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER G  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP G  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR G  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP G  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE G  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO G  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR G   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR G   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU G   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN G   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU G   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR G   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE G   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN G   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY G   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA G    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 VAL G    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D41 MET H  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LYS H  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS H  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS H  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS H  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS H  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS H  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 HIS H  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO H  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 MET H  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 SER H  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP H  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR H  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASP H  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ILE H  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PRO H  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR H   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 THR H   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLU H   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ASN H   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 LEU H   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 TYR H   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 PHE H   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLN H   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 GLY H   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 ALA H    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D41 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    JA1  B1257      23                                                       
HET    JA1  C1257      23                                                       
HET    JA1  C1258      23                                                       
HET    JA1  E1257      23                                                       
HET    JA1  E1258      23                                                       
HET    JA1  G1257      23                                                       
HET    JA1  H1257      23                                                       
HET    GLU  B1001      10                                                       
HET    MPD  A1257       8                                                       
HET    GLU  C1259      10                                                       
HET    GLU  F1257      10                                                       
HET    MRD  B1258       8                                                       
HET    GLU  E1259      10                                                       
HET    MPD  C1260       8                                                       
HET    GLU  G1258      10                                                       
HET    MPD  D1257       8                                                       
HET    MPD  E1260       8                                                       
HET    MPD  F1258       8                                                       
HET    MPD  G1259       8                                                       
HET    MPD  H1258       8                                                       
HET    NAP  A1258      48                                                       
HET    NAP  B1259      48                                                       
HET    NAP  C1261      48                                                       
HET    NAP  D1258      48                                                       
HET    NAP  E1261      48                                                       
HET    NAP  F1259      48                                                       
HET    NAP  G1260      48                                                       
HET    NAP  H1259      48                                                       
HET    JA1  A1259      23                                                       
HETNAM     NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE                           
HETNAM   2 NAP  PHOSPHATE                                                       
HETNAM     MPD (4S)-2-METHYL-2,4-PENTANEDIOL                                    
HETNAM     MRD (4R)-2-METHYLPENTANE-2,4-DIOL                                    
HETNAM     JA1 5-HEXYL-2-(4-NITROPHENOXY)PHENOL                                 
HETNAM     GLU GLUTAMIC ACID                                                    
HETSYN     NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE                       
FORMUL   2  NAP    8(C21 H28 N7 O17 P3)                                         
FORMUL   3  MPD    C6 H14 O2                                                    
FORMUL   4  MRD    8(C6 H14 O2)                                                 
FORMUL   5  JA1    8(C18 H23 N O4 1+)                                           
FORMUL   6  GLU    5(C5 H9 N O4)                                                
FORMUL   7  HOH   *929(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  ARG A  103  1                                   6    
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  134  1                                  13    
HELIX    9   9 TYR A  147  GLU A  151  5                                   5    
HELIX   10  10 TYR A  157  GLY A  179  1                                  23    
HELIX   11  11 LEU A  196  VAL A  201  5                                   6    
HELIX   12  12 GLY A  203  ALA A  215  1                                  13    
HELIX   13  13 ASP A  222  SER A  235  1                                  14    
HELIX   14  14 ASP A  236  SER A  239  5                                   4    
HELIX   15  15 GLY A  251  ALA A  254  5                                   4    
HELIX   16  16 SER B   19  LEU B   31  1                                  13    
HELIX   17  17 LYS B   41  LEU B   52  1                                  12    
HELIX   18  18 GLU B   53  LEU B   55  5                                   3    
HELIX   19  19 SER B   69  GLY B   85  1                                  17    
HELIX   20  20 ASN B   98  ARG B  103  1                                   6    
HELIX   21  21 ARG B  105  THR B  109  5                                   5    
HELIX   22  22 SER B  110  SER B  122  1                                  13    
HELIX   23  23 SER B  122  LYS B  133  1                                  12    
HELIX   24  24 LYS B  134  MET B  136  5                                   3    
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  SER B  235  1                                  14    
HELIX   30  30 ASP B  236  SER B  239  5                                   4    
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 SER C  110  SER C  122  1                                  13    
HELIX   37  37 SER C  122  LYS C  133  1                                  12    
HELIX   38  38 LYS C  134  MET C  136  5                                   3    
HELIX   39  39 TYR C  147  GLU C  151  5                                   5    
HELIX   40  40 TYR C  157  GLY C  179  1                                  23    
HELIX   41  41 LEU C  196  VAL C  201  5                                   6    
HELIX   42  42 GLY C  203  ALA C  215  1                                  13    
HELIX   43  43 ASP C  222  SER C  235  1                                  14    
HELIX   44  44 ASP C  236  SER C  239  5                                   4    
HELIX   45  45 GLY C  251  HIS C  253  5                                   3    
HELIX   46  46 SER D   19  LEU D   31  1                                  13    
HELIX   47  47 LYS D   41  ARG D   43  5                                   3    
HELIX   48  48 SER D   44  LEU D   52  1                                   9    
HELIX   49  49 SER D   69  GLY D   85  1                                  17    
HELIX   50  50 ARG D  105  THR D  109  5                                   5    
HELIX   51  51 SER D  110  SER D  122  1                                  13    
HELIX   52  52 SER D  122  LYS D  134  1                                  13    
HELIX   53  53 TYR D  147  GLU D  151  5                                   5    
HELIX   54  54 TYR D  157  GLY D  179  1                                  23    
HELIX   55  55 LEU D  196  VAL D  201  5                                   6    
HELIX   56  56 GLY D  203  ALA D  215  1                                  13    
HELIX   57  57 ASP D  222  SER D  235  1                                  14    
HELIX   58  58 ASP D  236  SER D  239  5                                   4    
HELIX   59  59 GLY D  251  ALA D  254  5                                   4    
HELIX   60  60 SER E   19  LEU E   31  1                                  13    
HELIX   61  61 LYS E   41  LEU E   52  1                                  12    
HELIX   62  62 GLU E   53  LEU E   55  5                                   3    
HELIX   63  63 SER E   69  GLY E   85  1                                  17    
HELIX   64  64 ASN E   98  ARG E  103  1                                   6    
HELIX   65  65 ARG E  105  THR E  109  5                                   5    
HELIX   66  66 SER E  110  SER E  122  1                                  13    
HELIX   67  67 SER E  122  LYS E  134  1                                  13    
HELIX   68  68 TYR E  147  GLU E  151  5                                   5    
HELIX   69  69 TYR E  157  GLY E  179  1                                  23    
HELIX   70  70 LEU E  196  VAL E  201  5                                   6    
HELIX   71  71 GLY E  203  ALA E  215  1                                  13    
HELIX   72  72 ASP E  222  SER E  235  1                                  14    
HELIX   73  73 ASP E  236  SER E  239  5                                   4    
HELIX   74  74 GLY E  251  HIS E  253  5                                   3    
HELIX   75  75 SER F   19  LEU F   31  1                                  13    
HELIX   76  76 LYS F   41  LEU F   52  1                                  12    
HELIX   77  77 GLU F   53  LEU F   55  5                                   3    
HELIX   78  78 SER F   69  GLY F   85  1                                  17    
HELIX   79  79 ARG F  105  THR F  109  5                                   5    
HELIX   80  80 SER F  110  SER F  122  1                                  13    
HELIX   81  81 SER F  122  LYS F  134  1                                  13    
HELIX   82  82 TYR F  147  GLU F  151  5                                   5    
HELIX   83  83 TYR F  157  GLY F  179  1                                  23    
HELIX   84  84 LEU F  196  VAL F  201  5                                   6    
HELIX   85  85 GLY F  203  ALA F  215  1                                  13    
HELIX   86  86 ASP F  222  SER F  235  1                                  14    
HELIX   87  87 ASP F  236  SER F  239  5                                   4    
HELIX   88  88 GLY F  251  HIS F  253  5                                   3    
HELIX   89  89 SER G   19  LEU G   31  1                                  13    
HELIX   90  90 LYS G   41  GLU G   53  1                                  13    
HELIX   91  91 SER G   69  GLY G   85  1                                  17    
HELIX   92  92 ARG G  105  THR G  109  5                                   5    
HELIX   93  93 SER G  110  SER G  122  1                                  13    
HELIX   94  94 SER G  122  LYS G  134  1                                  13    
HELIX   95  95 TYR G  147  GLU G  151  5                                   5    
HELIX   96  96 TYR G  157  GLY G  179  1                                  23    
HELIX   97  97 LEU G  196  VAL G  201  5                                   6    
HELIX   98  98 GLY G  203  ALA G  215  1                                  13    
HELIX   99  99 ASP G  222  SER G  235  1                                  14    
HELIX  100 100 ASP G  236  SER G  239  5                                   4    
HELIX  101 101 GLY G  251  HIS G  253  5                                   3    
HELIX  102 102 SER H   19  LEU H   31  1                                  13    
HELIX  103 103 LYS H   41  GLU H   53  1                                  13    
HELIX  104 104 SER H   69  GLY H   85  1                                  17    
HELIX  105 105 ASN H   98  LEU H  102  5                                   5    
HELIX  106 106 ARG H  105  THR H  109  5                                   5    
HELIX  107 107 SER H  110  SER H  122  1                                  13    
HELIX  108 108 SER H  122  LYS H  134  1                                  13    
HELIX  109 109 TYR H  147  GLU H  151  5                                   5    
HELIX  110 110 ASN H  158  GLY H  179  1                                  22    
HELIX  111 111 LEU H  196  VAL H  201  5                                   6    
HELIX  112 112 GLY H  203  ALA H  215  1                                  13    
HELIX  113 113 ASP H  222  SER H  235  1                                  14    
HELIX  114 114 ASP H  236  SER H  239  5                                   4    
HELIX  115 115 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  AB 2 ALA A 153  VAL A 154  0                                        
SHEET    2  AB 2 ILE C 255  LYS C 256  1  N  LYS C 256   O  ALA A 153           
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 LEU C  62  GLN C  64  0                                        
SHEET    2  CA 7 LYS C  34  TYR C  39  1  O  PHE C  37   N  TYR C  63           
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  EB 2 ALA E 153  VAL E 154  0                                        
SHEET    2  EB 2 ILE G 255  LYS G 256  1  N  LYS G 256   O  ALA E 153           
SHEET    1  EC 2 ILE E 255  LYS E 256  0                                        
SHEET    2  EC 2 ALA G 153  VAL G 154  1  O  ALA G 153   N  LYS E 256           
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  FB 2 ILE F 255  LYS F 256  0                                        
SHEET    2  FB 2 ALA H 153  VAL H 154  1  O  ALA H 153   N  LYS F 256           
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 ASN G 245  VAL G 248  1  O  ILE G 246   N  SER G 189           
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 12 ALA B  95  PHE B  96  ALA B  97  LEU B 102                    
SITE     2 AC1 12 TYR B 147  GLN B 155  TYR B 157  MET B 160                    
SITE     3 AC1 12 SER B 197  VAL B 201  GLY B 202  NAP B1259                    
SITE     1 AC2 14 ALA C  95  PHE C  96  ALA C  97  LEU C 102                    
SITE     2 AC2 14 TYR C 147  VAL C 154  GLN C 155  TYR C 157                    
SITE     3 AC2 14 MET C 160  SER C 197  VAL C 201  PHE C 204                    
SITE     4 AC2 14 ILE C 207  NAP C1261                                          
SITE     1 AC3 11 HOH C2122  ALA D  95  PHE D  96  ALA D  97                    
SITE     2 AC3 11 LEU D 102  VAL D 154  GLN D 155  TYR D 157                    
SITE     3 AC3 11 MET D 160  SER D 197  NAP D1258                               
SITE     1 AC4 13 ALA E  95  PHE E  96  ALA E  97  LEU E 102                    
SITE     2 AC4 13 TYR E 147  GLN E 155  TYR E 157  MET E 160                    
SITE     3 AC4 13 SER E 197  ALA E 198  VAL E 201  GLY E 202                    
SITE     4 AC4 13 NAP E1261                                                     
SITE     1 AC5 11 ALA F  95  PHE F  96  ALA F  97  LEU F 102                    
SITE     2 AC5 11 TYR F 147  GLN F 155  TYR F 157  MET F 160                    
SITE     3 AC5 11 SER F 197  VAL F 201  NAP F1259                               
SITE     1 AC6  9 ALA G  95  PHE G  96  ALA G  97  LEU G 102                    
SITE     2 AC6  9 TYR G 147  GLN G 155  TYR G 157  SER G 197                    
SITE     3 AC6  9 NAP G1260                                                     
SITE     1 AC7 12 ALA H  95  PHE H  96  ALA H  97  LEU H 102                    
SITE     2 AC7 12 VAL H 154  GLN H 155  ASN H 156  TYR H 157                    
SITE     3 AC7 12 MET H 160  SER H 197  VAL H 201  NAP H1259                    
SITE     1 AC8  7 ARG B 103  GLY B 202  GLY B 203  PHE B 204                    
SITE     2 AC8  7 ASN B 205  THR B 206  HOH G2105                               
SITE     1 AC9  7 ASP A  88  GLY A 140  ASN A 182  ARG A 184                    
SITE     2 AC9  7 LEU A 234  ASP A 236  HOH A2133                               
SITE     1 BC1  3 PHE C 204  ASN C 205  THR C 206                               
SITE     1 BC2  5 LYS C 199  ARG F 103  GLY F 202  GLY F 203                    
SITE     2 BC2  5 ASN F 205                                                     
SITE     1 BC3  8 LYS B   7  TYR B   9  GLY B 140  ARG B 184                    
SITE     2 BC3  8 LEU B 234  ASP B 236  HOH B2043  HOH B2113                    
SITE     1 BC4  6 LYS A 199  ARG E 103  VAL E 201  GLY E 203                    
SITE     2 BC4  6 PHE E 204  ASN E 205                                          
SITE     1 BC5  6 ASP C  88  GLY C 140  ARG C 184  LEU C 234                    
SITE     2 BC5  6 SER C 235  ASP C 236                                          
SITE     1 BC6  4 GLY G 203  PHE G 204  ASN G 205  THR G 206                    
SITE     1 BC7  8 LYS D   7  ASP D  88  GLY D 140  ARG D 184                    
SITE     2 BC7  8 LEU D 234  SER D 235  ASP D 236  SER D 239                    
SITE     1 BC8  8 LYS E   7  ASP E  88  GLY E 140  ARG E 184                    
SITE     2 BC8  8 LEU E 234  ASP E 236  HOH E2057  HOH E2079                    
SITE     1 BC9  8 LYS F   7  ASP F  88  GLY F 140  ASN F 182                    
SITE     2 BC9  8 ARG F 184  LEU F 234  SER F 235  ASP F 236                    
SITE     1 CC1  5 LYS G   7  GLY G 140  ARG G 184  LEU G 234                    
SITE     2 CC1  5 ASP G 236                                                     
SITE     1 CC2 10 LYS H   7  ASP H  88  GLY H 140  ASN H 182                    
SITE     2 CC2 10 ARG H 184  LEU H 234  SER H 235  ASP H 236                    
SITE     3 CC2 10 HOH H2036  HOH H2078                                          
SITE     1 CC3 31 GLY A  13  ILE A  14  ALA A  15  SER A  19                    
SITE     2 CC3 31 ILE A  20  ARG A  40  LYS A  41  SER A  44                    
SITE     3 CC3 31 ILE A  65  ASP A  66  VAL A  67  SER A  93                    
SITE     4 CC3 31 ILE A  94  ALA A  95  ILE A 120  THR A 145                    
SITE     5 CC3 31 THR A 146  TYR A 147  LYS A 164  ALA A 190                    
SITE     6 CC3 31 GLY A 191  PRO A 192  ILE A 193  THR A 195                    
SITE     7 CC3 31 SER A 197  JA1 A1259  HOH A2005  HOH A2006                    
SITE     8 CC3 31 HOH A2007  HOH A2009  GLU E 100                               
SITE     1 CC4 30 GLY B  13  ILE B  14  ALA B  15  SER B  19                    
SITE     2 CC4 30 ILE B  20  ARG B  40  LYS B  41  SER B  44                    
SITE     3 CC4 30 ILE B  65  ASP B  66  VAL B  67  SER B  93                    
SITE     4 CC4 30 ILE B  94  ALA B  95  ILE B 120  THR B 145                    
SITE     5 CC4 30 THR B 146  TYR B 147  LYS B 164  ALA B 190                    
SITE     6 CC4 30 GLY B 191  PRO B 192  ILE B 193  THR B 195                    
SITE     7 CC4 30 SER B 197  JA1 B1257  HOH B2006  HOH B2007                    
SITE     8 CC4 30 HOH B2008  HOH B2010                                          
SITE     1 CC5 30 GLY C  13  ILE C  14  ALA C  15  SER C  19                    
SITE     2 CC5 30 ILE C  20  ARG C  40  LYS C  41  SER C  44                    
SITE     3 CC5 30 ILE C  65  ASP C  66  VAL C  67  SER C  93                    
SITE     4 CC5 30 ILE C  94  ALA C  95  ILE C 120  THR C 145                    
SITE     5 CC5 30 THR C 146  TYR C 147  LYS C 164  ALA C 190                    
SITE     6 CC5 30 GLY C 191  PRO C 192  ILE C 193  THR C 195                    
SITE     7 CC5 30 SER C 197  JA1 C1257  HOH C2006  HOH C2007                    
SITE     8 CC5 30 HOH C2008  HOH C2010                                          
SITE     1 CC6 30 JA1 C1258  GLY D  13  ILE D  14  ALA D  15                    
SITE     2 CC6 30 SER D  19  ILE D  20  ARG D  40  LYS D  41                    
SITE     3 CC6 30 ILE D  65  ASP D  66  VAL D  67  SER D  93                    
SITE     4 CC6 30 ILE D  94  ALA D  95  ILE D 120  THR D 145                    
SITE     5 CC6 30 THR D 146  TYR D 147  LYS D 164  ALA D 190                    
SITE     6 CC6 30 GLY D 191  PRO D 192  ILE D 193  THR D 195                    
SITE     7 CC6 30 LEU D 196  SER D 197  HOH D2007  HOH D2008                    
SITE     8 CC6 30 HOH D2009  HOH D2082                                          
SITE     1 CC7 32 GLU A 100  HOH A2062  GLY E  13  ILE E  14                    
SITE     2 CC7 32 ALA E  15  SER E  19  ILE E  20  ARG E  40                    
SITE     3 CC7 32 LYS E  41  SER E  44  ILE E  65  ASP E  66                    
SITE     4 CC7 32 VAL E  67  SER E  93  ILE E  94  ALA E  95                    
SITE     5 CC7 32 ILE E 120  THR E 145  THR E 146  TYR E 147                    
SITE     6 CC7 32 LYS E 164  ALA E 190  GLY E 191  PRO E 192                    
SITE     7 CC7 32 ILE E 193  THR E 195  SER E 197  JA1 E1257                    
SITE     8 CC7 32 HOH E2006  HOH E2007  HOH E2008  HOH E2010                    
SITE     1 CC8 30 JA1 E1258  GLY F  13  ILE F  14  ALA F  15                    
SITE     2 CC8 30 SER F  19  ILE F  20  ARG F  40  LYS F  41                    
SITE     3 CC8 30 SER F  44  ILE F  65  ASP F  66  VAL F  67                    
SITE     4 CC8 30 SER F  93  ILE F  94  ALA F  95  ILE F 120                    
SITE     5 CC8 30 THR F 145  THR F 146  TYR F 147  LYS F 164                    
SITE     6 CC8 30 ALA F 190  GLY F 191  PRO F 192  ILE F 193                    
SITE     7 CC8 30 THR F 195  SER F 197  HOH F2005  HOH F2006                    
SITE     8 CC8 30 HOH F2007  HOH F2009                                          
SITE     1 CC9 31 GLU B 100  GLY G  13  ILE G  14  ALA G  15                    
SITE     2 CC9 31 SER G  19  ILE G  20  ARG G  40  LYS G  41                    
SITE     3 CC9 31 SER G  44  ILE G  65  ASP G  66  VAL G  67                    
SITE     4 CC9 31 SER G  93  ILE G  94  ALA G  95  ILE G 120                    
SITE     5 CC9 31 THR G 145  THR G 146  TYR G 147  LYS G 164                    
SITE     6 CC9 31 ALA G 190  GLY G 191  PRO G 192  ILE G 193                    
SITE     7 CC9 31 THR G 195  SER G 197  JA1 G1257  HOH G2007                    
SITE     8 CC9 31 HOH G2008  HOH G2010  HOH G2012                               
SITE     1 DC1 29 GLY H  13  ILE H  14  ALA H  15  SER H  19                    
SITE     2 DC1 29 ILE H  20  ARG H  40  LYS H  41  SER H  44                    
SITE     3 DC1 29 ILE H  65  ASP H  66  VAL H  67  SER H  93                    
SITE     4 DC1 29 ILE H  94  ALA H  95  ILE H 120  THR H 145                    
SITE     5 DC1 29 THR H 146  TYR H 147  LYS H 164  ALA H 190                    
SITE     6 DC1 29 GLY H 191  PRO H 192  ILE H 193  THR H 195                    
SITE     7 DC1 29 SER H 197  JA1 H1257  HOH H2005  HOH H2006                    
SITE     8 DC1 29 HOH H2007                                                     
SITE     1 DC2 11 ALA A  95  PHE A  96  ALA A  97  LEU A 102                    
SITE     2 DC2 11 GLN A 155  TYR A 157  MET A 160  SER A 197                    
SITE     3 DC2 11 GLY A 202  ILE A 207  NAP A1258                               
CRYST1   89.440   94.830   94.800  98.30 111.35  97.52 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      0.011181  0.001476  0.004782        0.00000                         
SCALE2      0.000000  0.010637  0.002261        0.00000                         
SCALE3      0.000000  0.000000  0.011579        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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