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Entry: 4BNH
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HEADER    OXIDOREDUCTASE                          15-MAY-13   4BNH              
TITLE     CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP              
TITLE    2 AND 5-HEXYL-2-PHENOXYPHENOL                                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH];            
COMPND   3 CHAIN: A, B, C, D, E, F, G, H;                                       
COMPND   4 SYNONYM: ENR, 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: 158879;                                              
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    OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY,      
KEYWDS   2 LIPID SYNTHESIS                                                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.SCHIEBEL,A.CHANG,G.R.BOMMINENI,P.J.TONGE,C.KISKER                   
REVDAT   2   03-JUL-13 4BNH    1       JRNL                                     
REVDAT   1   05-JUN-13 4BNH    0                                                
JRNL        AUTH   A.CHANG,J.SCHIEBEL,W.YU,G.R.BOMMINENI,P.PAN,M.V.BAXTER,      
JRNL        AUTH 2 A.KHANNA,C.A.SOTRIFFER,C.F.KISKER,P.J.TONGE                  
JRNL        TITL   RATIONAL OPTIMIZATION OF DRUG-TARGET RESIDENCE TIME:         
JRNL        TITL 2 INSIGHTS FROM INHIBITOR BINDING TO THE S. AUREUS FABI        
JRNL        TITL 3 ENZYME-PRODUCT COMPLEX.                                      
JRNL        REF    BIOCHEMISTRY                  V.  52  4217 2013              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   23697754                                                     
JRNL        DOI    10.1021/BI400413C                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.15 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) : 2.15                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.48                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NONE                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.97                          
REMARK   3   NUMBER OF REFLECTIONS             : 142575                         
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) : 0.14912                         
REMARK   3   R VALUE            (WORKING SET) : 0.14664                         
REMARK   3   FREE R VALUE                     : 0.19634                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.0                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 7553                            
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) : 2.150                        
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.206                        
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 10405                        
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 97.08                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.247                        
REMARK   3   BIN FREE R VALUE SET COUNT          : 558                          
REMARK   3   BIN FREE R VALUE                    : 0.288                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 16058                                   
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 605                                     
REMARK   3   SOLVENT ATOMS            : 1074                                    
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 34.700                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 3.59                                                 
REMARK   3    B22 (A**2) : -2.18                                                
REMARK   3    B33 (A**2) : -0.80                                                
REMARK   3    B12 (A**2) : -0.35                                                
REMARK   3    B13 (A**2) : 1.29                                                 
REMARK   3    B23 (A**2) : -1.12                                                
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.161         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.153         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.120         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.090        
REMARK   3                                                                      
REMARK   3  CORRELATION COEFFICIENTS.                                           
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.974                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.949                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A): 16947 ; 0.012 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 22948 ; 1.854 ; 2.008       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  2119 ; 7.027 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   761 ;39.828 ;24.823       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  2960 ;17.264 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):   105 ;19.191 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  2568 ; 0.095 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 12661 ; 0.015 ; 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): 10301 ; 1.512 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 16508 ; 2.358 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  6646 ; 4.229 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  6415 ; 6.142 ; 4.500       
REMARK   3                                                                      
REMARK   3  ANISOTROPIC THERMAL FACTOR RESTRAINTS.   COUNT   RMS    WEIGHT      
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 54                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     3        A    29                          
REMARK   3    ORIGIN FOR THE GROUP (A): -35.2998   3.9101  20.2372              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1439 T22:   0.0904                                     
REMARK   3      T33:   0.1450 T12:   0.0439                                     
REMARK   3      T13:  -0.0974 T23:   0.0234                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9370 L22:   2.9523                                     
REMARK   3      L33:   2.6915 L12:   0.7548                                     
REMARK   3      L13:  -1.8863 L23:   1.0673                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0090 S12:   0.2936 S13:  -0.0200                       
REMARK   3      S21:  -0.4222 S22:  -0.1275 S23:   0.2943                       
REMARK   3      S31:  -0.3257 S32:  -0.2261 S33:   0.1365                       
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): -34.2017  12.4487  18.8788              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2503 T22:   0.1769                                     
REMARK   3      T33:   0.2340 T12:   0.0790                                     
REMARK   3      T13:  -0.1272 T23:   0.0614                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7599 L22:   4.7684                                     
REMARK   3      L33:   3.0072 L12:   1.5779                                     
REMARK   3      L13:  -0.6781 L23:   0.6656                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1830 S12:   0.1125 S13:   0.1158                       
REMARK   3      S21:  -0.7607 S22:   0.0327 S23:   0.1828                       
REMARK   3      S31:  -0.5292 S32:  -0.2738 S33:   0.1503                       
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): -29.9745  10.7281  32.3845              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1840 T22:   0.1492                                     
REMARK   3      T33:   0.2479 T12:   0.0268                                     
REMARK   3      T13:  -0.0644 T23:   0.0200                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6519 L22:   1.1310                                     
REMARK   3      L33:   1.0284 L12:  -0.8048                                     
REMARK   3      L13:   0.2384 L23:  -0.3263                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0013 S12:   0.0514 S13:   0.0635                       
REMARK   3      S21:  -0.0299 S22:  -0.0393 S23:   0.1019                       
REMARK   3      S31:  -0.3911 S32:   0.0075 S33:   0.0379                       
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): -24.0390   1.4523  36.9244              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0679 T22:   0.1218                                     
REMARK   3      T33:   0.1145 T12:   0.0072                                     
REMARK   3      T13:  -0.0085 T23:   0.0223                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5698 L22:   1.0164                                     
REMARK   3      L33:   0.6827 L12:  -0.2712                                     
REMARK   3      L13:   0.2357 L23:  -0.0615                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0570 S12:  -0.0832 S13:  -0.0182                       
REMARK   3      S21:   0.0160 S22:  -0.0654 S23:   0.1229                       
REMARK   3      S31:  -0.1838 S32:  -0.0113 S33:   0.0084                       
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): -27.7499  -4.6227  35.5092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0717 T22:   0.0985                                     
REMARK   3      T33:   0.1349 T12:   0.0013                                     
REMARK   3      T13:  -0.0008 T23:  -0.0098                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2817 L22:   1.2985                                     
REMARK   3      L33:   1.6837 L12:   0.2943                                     
REMARK   3      L13:  -0.1867 L23:  -0.2977                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0992 S12:   0.0320 S13:  -0.0845                       
REMARK   3      S21:  -0.0193 S22:  -0.0187 S23:   0.0854                       
REMARK   3      S31:   0.0073 S32:  -0.0575 S33:   0.1179                       
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): -13.3316  -4.7485  18.9588              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1476 T22:   0.2187                                     
REMARK   3      T33:   0.1759 T12:  -0.0670                                     
REMARK   3      T13:   0.0531 T23:   0.0402                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.1478 L22:   6.6248                                     
REMARK   3      L33:   3.9516 L12:   0.2853                                     
REMARK   3      L13:  -1.3898 L23:   3.5829                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0091 S12:   0.2528 S13:   0.1411                       
REMARK   3      S21:  -0.5687 S22:   0.2972 S23:  -0.9007                       
REMARK   3      S31:  -0.3223 S32:   0.4060 S33:  -0.2881                       
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): -29.1401 -10.9765  23.1148              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0339 T22:   0.1638                                     
REMARK   3      T33:   0.1714 T12:  -0.0041                                     
REMARK   3      T13:  -0.0518 T23:   0.0135                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1501 L22:   1.4542                                     
REMARK   3      L33:   0.7629 L12:   0.4923                                     
REMARK   3      L13:  -0.1889 L23:   0.0738                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0585 S12:   0.0485 S13:  -0.0437                       
REMARK   3      S21:  -0.1004 S22:  -0.0491 S23:   0.2002                       
REMARK   3      S31:   0.0732 S32:   0.0092 S33:   0.1076                       
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):  -5.9577 -12.7131  62.1716              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2329 T22:   0.1513                                     
REMARK   3      T33:   0.0217 T12:   0.0537                                     
REMARK   3      T13:  -0.0507 T23:   0.0041                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7979 L22:   2.8644                                     
REMARK   3      L33:   2.2944 L12:  -0.9409                                     
REMARK   3      L13:  -1.0458 L23:   0.2838                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0773 S12:  -0.1711 S13:  -0.0909                       
REMARK   3      S21:   0.7306 S22:   0.0344 S23:  -0.1216                       
REMARK   3      S31:   0.1329 S32:   0.1944 S33:   0.0429                       
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):  -4.0762  -6.3576  67.5509              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2568 T22:   0.2658                                     
REMARK   3      T33:   0.0398 T12:   0.0372                                     
REMARK   3      T13:  -0.0851 T23:  -0.0011                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2883 L22:   6.6019                                     
REMARK   3      L33:   2.9204 L12:  -2.6900                                     
REMARK   3      L13:  -0.6079 L23:   1.8833                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2338 S12:  -0.3466 S13:   0.2282                       
REMARK   3      S21:   0.8398 S22:   0.2511 S23:  -0.2811                       
REMARK   3      S31:   0.3451 S32:   0.3496 S33:  -0.0173                       
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):  -7.7826   0.5110  55.6349              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1416 T22:   0.1613                                     
REMARK   3      T33:   0.1054 T12:  -0.0069                                     
REMARK   3      T13:  -0.0549 T23:  -0.0018                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1942 L22:   1.0213                                     
REMARK   3      L33:   2.6646 L12:  -0.6313                                     
REMARK   3      L13:  -0.7811 L23:   0.9719                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0231 S12:  -0.1215 S13:   0.2170                       
REMARK   3      S21:   0.2391 S22:   0.0347 S23:  -0.1274                       
REMARK   3      S31:  -0.1453 S32:   0.1212 S33:  -0.0117                       
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): -15.0373  -2.8709  47.5345              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0533 T22:   0.1404                                     
REMARK   3      T33:   0.0470 T12:  -0.0074                                     
REMARK   3      T13:  -0.0048 T23:  -0.0020                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3400 L22:   1.2132                                     
REMARK   3      L33:   0.7783 L12:  -0.4121                                     
REMARK   3      L13:   0.2008 L23:   0.2018                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0298 S12:  -0.0679 S13:   0.0007                       
REMARK   3      S21:   0.0966 S22:  -0.0196 S23:  -0.0616                       
REMARK   3      S31:  -0.1264 S32:   0.1006 S33:  -0.0102                       
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   214                          
REMARK   3    ORIGIN FOR THE GROUP (A): -19.6742 -11.2128  50.7448              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1732 T22:   0.1671                                     
REMARK   3      T33:   0.1438 T12:   0.0013                                     
REMARK   3      T13:   0.0103 T23:   0.0117                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0986 L22:   2.4192                                     
REMARK   3      L33:   1.4888 L12:  -0.4333                                     
REMARK   3      L13:   0.7265 L23:   0.0868                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0345 S12:  -0.2975 S13:   0.0048                       
REMARK   3      S21:   0.4656 S22:   0.0104 S23:   0.3357                       
REMARK   3      S31:   0.0741 S32:  -0.1363 S33:   0.0242                       
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   215        B   256                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.5798 -21.4527  52.5151              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1855 T22:   0.1147                                     
REMARK   3      T33:   0.0843 T12:   0.0318                                     
REMARK   3      T13:   0.0286 T23:   0.0306                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8677 L22:   0.8763                                     
REMARK   3      L33:   1.3774 L12:  -0.0650                                     
REMARK   3      L13:  -0.0215 L23:   0.3900                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0705 S12:  -0.0425 S13:  -0.0857                       
REMARK   3      S21:   0.3768 S22:   0.0336 S23:   0.1197                       
REMARK   3      S31:   0.2358 S32:   0.0298 S33:   0.0369                       
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 :   C     3        C    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.5629 -38.9187  46.5870              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2345 T22:   0.1087                                     
REMARK   3      T33:   0.1123 T12:   0.1294                                     
REMARK   3      T13:  -0.0687 T23:   0.0143                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2136 L22:   2.5750                                     
REMARK   3      L33:   4.8326 L12:   0.9822                                     
REMARK   3      L13:  -0.4828 L23:   0.8277                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0256 S12:  -0.2257 S13:  -0.2711                       
REMARK   3      S21:   0.3227 S22:   0.0849 S23:  -0.3864                       
REMARK   3      S31:   0.4173 S32:   0.3599 S33:  -0.0593                       
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    30        C    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.3951 -46.9840  44.7256              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3525 T22:   0.1159                                     
REMARK   3      T33:   0.2502 T12:   0.1717                                     
REMARK   3      T13:  -0.0387 T23:   0.0378                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2817 L22:   4.1999                                     
REMARK   3      L33:   8.2799 L12:  -0.3025                                     
REMARK   3      L13:  -0.5709 L23:   5.0332                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1349 S12:  -0.1211 S13:  -0.2517                       
REMARK   3      S21:   0.5443 S22:   0.3373 S23:  -0.4932                       
REMARK   3      S31:   0.8634 S32:   0.5341 S33:  -0.2024                       
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    62        C   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -14.1137 -46.5236  40.4756              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3607 T22:   0.0606                                     
REMARK   3      T33:   0.1835 T12:   0.0745                                     
REMARK   3      T13:   0.0551 T23:   0.0367                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1171 L22:   1.8626                                     
REMARK   3      L33:   0.5798 L12:  -0.6543                                     
REMARK   3      L13:   0.3424 L23:  -0.3040                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0022 S12:  -0.0337 S13:  -0.3280                       
REMARK   3      S21:   0.0787 S22:  -0.0195 S23:   0.0264                       
REMARK   3      S31:   0.3936 S32:   0.0751 S33:   0.0174                       
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   105        C   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -19.8298 -37.3026  35.8888              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1329 T22:   0.0360                                     
REMARK   3      T33:   0.1503 T12:   0.0223                                     
REMARK   3      T13:   0.0522 T23:   0.0140                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7539 L22:   1.5387                                     
REMARK   3      L33:   2.2974 L12:  -0.2135                                     
REMARK   3      L13:   0.3583 L23:   0.1352                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0238 S12:  -0.0324 S13:  -0.2007                       
REMARK   3      S21:   0.2024 S22:   0.0049 S23:   0.1490                       
REMARK   3      S31:   0.2276 S32:   0.0089 S33:  -0.0288                       
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   155        C   193                          
REMARK   3    ORIGIN FOR THE GROUP (A): -19.0709 -31.6251  39.9586              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1572 T22:   0.0740                                     
REMARK   3      T33:   0.1499 T12:   0.0084                                     
REMARK   3      T13:   0.0470 T23:   0.0317                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5688 L22:   0.7531                                     
REMARK   3      L33:   1.4944 L12:  -0.5615                                     
REMARK   3      L13:  -0.5147 L23:   0.9823                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0119 S12:  -0.0093 S13:  -0.1847                       
REMARK   3      S21:   0.1549 S22:   0.0013 S23:   0.0649                       
REMARK   3      S31:   0.2276 S32:   0.0295 S33:   0.0106                       
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   194        C   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.0164 -27.4155  26.0221              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2351 T22:   0.2764                                     
REMARK   3      T33:   0.1337 T12:   0.0467                                     
REMARK   3      T13:   0.0744 T23:  -0.0344                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4547 L22:   9.7070                                     
REMARK   3      L33:   4.9997 L12:   5.4538                                     
REMARK   3      L13:  -0.7161 L23:  -0.7833                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3485 S12:   0.3493 S13:  -0.2460                       
REMARK   3      S21:  -1.0190 S22:   0.4155 S23:  -0.5155                       
REMARK   3      S31:   0.0256 S32:   0.2322 S33:  -0.0670                       
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   215        C   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.5877 -24.0896  42.4443              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0597 T22:   0.1347                                     
REMARK   3      T33:   0.0990 T12:   0.0582                                     
REMARK   3      T13:  -0.0100 T23:   0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7440 L22:   1.5058                                     
REMARK   3      L33:   2.2379 L12:   0.2466                                     
REMARK   3      L13:  -0.2722 L23:   0.7466                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0735 S12:  -0.0198 S13:  -0.1115                       
REMARK   3      S21:   0.0601 S22:   0.1013 S23:  -0.1398                       
REMARK   3      S31:   0.1904 S32:   0.1071 S33:  -0.0278                       
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 :   D     3        D    29                          
REMARK   3    ORIGIN FOR THE GROUP (A): -47.0124 -24.5519  19.8960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0620 T22:   0.2021                                     
REMARK   3      T33:   0.4134 T12:  -0.0301                                     
REMARK   3      T13:  -0.1261 T23:  -0.1091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9039 L22:   6.2052                                     
REMARK   3      L33:   5.0474 L12:   0.4973                                     
REMARK   3      L13:  -1.4450 L23:  -1.3270                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0015 S12:   0.0840 S13:  -0.0233                       
REMARK   3      S21:  -0.3377 S22:  -0.2028 S23:   0.9744                       
REMARK   3      S31:   0.0600 S32:  -0.3584 S33:   0.2044                       
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    30        D    61                          
REMARK   3    ORIGIN FOR THE GROUP (A): -51.6657 -31.2330  17.2120              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1955 T22:   0.4210                                     
REMARK   3      T33:   0.5611 T12:  -0.1517                                     
REMARK   3      T13:  -0.1292 T23:  -0.2138                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.8113 L22:  11.4518                                     
REMARK   3      L33:   1.4382 L12:  -0.0295                                     
REMARK   3      L13:  -0.1989 L23:  -0.8917                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0961 S12:   0.3688 S13:  -0.2655                       
REMARK   3      S21:  -0.5362 S22:  -0.2249 S23:   1.1920                       
REMARK   3      S31:   0.3571 S32:  -0.6264 S33:   0.3210                       
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    62        D   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -38.6944 -36.6634  19.5786              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1096 T22:   0.1547                                     
REMARK   3      T33:   0.3280 T12:  -0.0828                                     
REMARK   3      T13:  -0.0154 T23:  -0.1410                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7652 L22:   1.9238                                     
REMARK   3      L33:   1.6257 L12:   0.2878                                     
REMARK   3      L13:   1.5123 L23:  -0.0796                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0474 S12:   0.0811 S13:  -0.3976                       
REMARK   3      S21:  -0.1654 S22:  -0.0476 S23:   0.4247                       
REMARK   3      S31:   0.2257 S32:  -0.2864 S33:   0.0002                       
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   105        D   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -31.0940 -33.2121  27.4954              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0653 T22:   0.0762                                     
REMARK   3      T33:   0.2335 T12:  -0.0565                                     
REMARK   3      T13:   0.0276 T23:  -0.0410                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8124 L22:   1.6168                                     
REMARK   3      L33:   1.7197 L12:  -0.1596                                     
REMARK   3      L13:   0.6270 L23:   0.2302                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0138 S12:   0.0959 S13:  -0.2517                       
REMARK   3      S21:  -0.0283 S22:  -0.1088 S23:   0.3243                       
REMARK   3      S31:   0.2278 S32:  -0.1159 S33:   0.1227                       
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   155        D   193                          
REMARK   3    ORIGIN FOR THE GROUP (A): -30.0402 -26.5236  27.8052              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0981 T22:   0.1139                                     
REMARK   3      T33:   0.1974 T12:  -0.0262                                     
REMARK   3      T13:   0.0013 T23:  -0.0351                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7360 L22:   1.5059                                     
REMARK   3      L33:   1.5531 L12:   0.6122                                     
REMARK   3      L13:  -1.0617 L23:  -0.5255                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0599 S12:   0.0554 S13:  -0.1188                       
REMARK   3      S21:  -0.0395 S22:  -0.1175 S23:   0.2337                       
REMARK   3      S31:   0.3044 S32:  -0.1279 S33:   0.1774                       
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   194        D   214                          
REMARK   3    ORIGIN FOR THE GROUP (A): -45.0857 -25.9852  43.0874              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2830 T22:   0.3425                                     
REMARK   3      T33:   0.4611 T12:  -0.1148                                     
REMARK   3      T13:   0.1811 T23:   0.0130                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1720 L22:  11.2451                                     
REMARK   3      L33:   2.1183 L12:   1.9985                                     
REMARK   3      L13:   0.2052 L23:   2.1137                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0474 S12:  -0.2117 S13:  -0.0976                       
REMARK   3      S21:   1.4291 S22:  -0.1815 S23:   0.8455                       
REMARK   3      S31:   0.6303 S32:  -0.4955 S33:   0.1341                       
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   215        D   256                          
REMARK   3    ORIGIN FOR THE GROUP (A): -38.1509 -15.9216  30.3139              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0165 T22:   0.1293                                     
REMARK   3      T33:   0.2216 T12:  -0.0287                                     
REMARK   3      T13:  -0.0098 T23:  -0.0211                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8231 L22:   1.9727                                     
REMARK   3      L33:   2.4075 L12:  -0.4236                                     
REMARK   3      L13:  -0.5714 L23:   0.3208                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0621 S12:  -0.0047 S13:  -0.1334                       
REMARK   3      S21:   0.0332 S22:  -0.0993 S23:   0.4336                       
REMARK   3      S31:   0.1096 S32:  -0.0856 S33:   0.1614                       
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 :   E     3        E    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.8487  18.7810  32.3887              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1010 T22:   0.4332                                     
REMARK   3      T33:   0.1308 T12:  -0.0134                                     
REMARK   3      T13:  -0.0473 T23:   0.0408                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8951 L22:   2.2886                                     
REMARK   3      L33:   0.5888 L12:   0.2725                                     
REMARK   3      L13:  -0.7197 L23:  -0.8621                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3118 S12:  -0.5594 S13:  -0.1933                       
REMARK   3      S21:  -0.1601 S22:   0.1920 S23:  -0.1241                       
REMARK   3      S31:   0.0734 S32:   0.2518 S33:   0.1198                       
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    30        E    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.3726  15.1557  39.1951              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1420 T22:   0.2624                                     
REMARK   3      T33:   0.0957 T12:   0.0760                                     
REMARK   3      T13:  -0.0423 T23:   0.1106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4471 L22:   3.6796                                     
REMARK   3      L33:   3.0047 L12:   1.7626                                     
REMARK   3      L13:  -1.4312 L23:   0.0046                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1821 S12:  -0.7307 S13:  -0.3255                       
REMARK   3      S21:   0.3062 S22:   0.0752 S23:  -0.1359                       
REMARK   3      S31:   0.2694 S32:   0.3198 S33:   0.1069                       
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    62        E   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.3385  24.9936  34.6984              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1668 T22:   0.1836                                     
REMARK   3      T33:   0.1154 T12:   0.0273                                     
REMARK   3      T13:   0.0151 T23:   0.0452                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0189 L22:   0.8876                                     
REMARK   3      L33:   1.8022 L12:   0.0371                                     
REMARK   3      L13:   0.3453 L23:   0.3085                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0421 S12:  -0.2519 S13:  -0.0742                       
REMARK   3      S21:   0.3192 S22:   0.1375 S23:   0.1092                       
REMARK   3      S31:  -0.0975 S32:   0.0088 S33:  -0.0954                       
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   105        E   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.5963  28.1657  23.3623              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1021 T22:   0.0956                                     
REMARK   3      T33:   0.1003 T12:  -0.0079                                     
REMARK   3      T13:  -0.0124 T23:   0.0286                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3505 L22:   0.5120                                     
REMARK   3      L33:   1.1767 L12:  -0.0918                                     
REMARK   3      L13:   0.4119 L23:   0.2247                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0236 S12:  -0.1731 S13:  -0.0046                       
REMARK   3      S21:   0.0806 S22:   0.0825 S23:   0.0462                       
REMARK   3      S31:  -0.1612 S32:   0.0417 S33:  -0.0589                       
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   155        E   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.5535  30.1258  20.3052              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0774 T22:   0.0996                                     
REMARK   3      T33:   0.0797 T12:  -0.0029                                     
REMARK   3      T13:   0.0036 T23:  -0.0050                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0573 L22:   2.5040                                     
REMARK   3      L33:   1.0311 L12:   0.1612                                     
REMARK   3      L13:  -0.1700 L23:  -0.2091                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0429 S12:  -0.0834 S13:   0.0200                       
REMARK   3      S21:  -0.0827 S22:   0.0990 S23:   0.0105                       
REMARK   3      S31:  -0.1859 S32:   0.0307 S33:  -0.0561                       
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   194        E   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.8493   9.4505  13.3504              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1950 T22:   0.1767                                     
REMARK   3      T33:   0.3177 T12:  -0.0839                                     
REMARK   3      T13:  -0.0223 T23:   0.0178                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7965 L22:   4.6696                                     
REMARK   3      L33:   4.2823 L12:  -0.4418                                     
REMARK   3      L13:  -1.3453 L23:   3.5722                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2432 S12:   0.2796 S13:  -0.5850                       
REMARK   3      S21:   0.1392 S22:  -0.0483 S23:   0.2748                       
REMARK   3      S31:   0.5246 S32:  -0.4951 S33:   0.2915                       
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   215        E   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  11.0183  21.9439  16.2473              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0310 T22:   0.1183                                     
REMARK   3      T33:   0.1223 T12:  -0.0221                                     
REMARK   3      T13:  -0.0303 T23:   0.0155                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7666 L22:   1.1301                                     
REMARK   3      L33:   1.2965 L12:   0.0000                                     
REMARK   3      L13:  -0.0977 L23:   0.3955                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0035 S12:  -0.0821 S13:  -0.0633                       
REMARK   3      S21:  -0.0127 S22:   0.0517 S23:  -0.0130                       
REMARK   3      S31:  -0.0978 S32:   0.2185 S33:  -0.0483                       
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 :   F     3        F    29                          
REMARK   3    ORIGIN FOR THE GROUP (A): -25.0260  44.2960   0.2846              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2003 T22:   0.1861                                     
REMARK   3      T33:   0.1231 T12:   0.1531                                     
REMARK   3      T13:  -0.0165 T23:   0.0243                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4862 L22:   3.4622                                     
REMARK   3      L33:   2.6083 L12:  -0.0812                                     
REMARK   3      L13:  -0.1350 L23:   0.8475                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1490 S12:   0.2975 S13:   0.1126                       
REMARK   3      S21:  -0.1408 S22:  -0.0119 S23:   0.2275                       
REMARK   3      S31:  -0.5861 S32:  -0.3474 S33:  -0.1371                       
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    30        F    61                          
REMARK   3    ORIGIN FOR THE GROUP (A): -32.0993  46.6407   4.5824              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1967 T22:   0.2101                                     
REMARK   3      T33:   0.2349 T12:   0.1905                                     
REMARK   3      T13:   0.0033 T23:   0.0276                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5236 L22:   3.0307                                     
REMARK   3      L33:   5.1231 L12:   0.0092                                     
REMARK   3      L13:  -0.7708 L23:   2.0448                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2948 S12:   0.3286 S13:   0.2601                       
REMARK   3      S21:  -0.1722 S22:  -0.1560 S23:   0.4005                       
REMARK   3      S31:  -0.6902 S32:  -0.5450 S33:  -0.1388                       
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    62        F   104                          
REMARK   3    ORIGIN FOR THE GROUP (A): -26.8007  36.3600  12.6982              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0882 T22:   0.1385                                     
REMARK   3      T33:   0.1607 T12:   0.0860                                     
REMARK   3      T13:  -0.0101 T23:   0.0010                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9435 L22:   1.6306                                     
REMARK   3      L33:   3.1454 L12:  -0.8126                                     
REMARK   3      L13:   0.6351 L23:   0.9182                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0272 S12:  -0.0201 S13:  -0.0437                       
REMARK   3      S21:  -0.0016 S22:  -0.0348 S23:   0.1916                       
REMARK   3      S31:  -0.3201 S32:  -0.4559 S33:   0.0077                       
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   105        F   154                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.4791  33.9811  14.3705              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0840 T22:   0.0843                                     
REMARK   3      T33:   0.1219 T12:   0.0501                                     
REMARK   3      T13:  -0.0165 T23:   0.0012                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7724 L22:   0.4748                                     
REMARK   3      L33:   1.5379 L12:  -0.3099                                     
REMARK   3      L13:   0.0977 L23:   0.1091                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0245 S12:   0.0128 S13:  -0.0430                       
REMARK   3      S21:   0.0228 S22:   0.0240 S23:   0.1155                       
REMARK   3      S31:  -0.1155 S32:  -0.1435 S33:   0.0005                       
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   155        F   193                          
REMARK   3    ORIGIN FOR THE GROUP (A): -11.9534  33.3147   8.3605              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1894 T22:   0.1168                                     
REMARK   3      T33:   0.1347 T12:   0.0431                                     
REMARK   3      T13:   0.0194 T23:   0.0174                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2587 L22:   0.4513                                     
REMARK   3      L33:   1.0176 L12:  -0.6330                                     
REMARK   3      L13:   0.4003 L23:  -0.5424                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0864 S12:  -0.0036 S13:  -0.0348                       
REMARK   3      S21:   0.0694 S22:   0.0476 S23:   0.0608                       
REMARK   3      S31:  -0.3053 S32:  -0.1568 S33:  -0.1340                       
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   194        F   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.0622  54.1509  11.8411              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6127 T22:   0.2769                                     
REMARK   3      T33:   0.4617 T12:   0.0745                                     
REMARK   3      T13:   0.0904 T23:  -0.1867                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.8534 L22:   5.8187                                     
REMARK   3      L33:   7.4036 L12:   5.2159                                     
REMARK   3      L13:  -3.4413 L23:  -1.0875                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5375 S12:  -0.7459 S13:   0.5537                       
REMARK   3      S21:   0.2292 S22:  -0.3899 S23:   0.1714                       
REMARK   3      S31:  -1.0875 S32:   0.4746 S33:  -0.1476                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   215        F   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.9094  42.8623  -1.2278              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2390 T22:   0.0762                                     
REMARK   3      T33:   0.1014 T12:   0.0471                                     
REMARK   3      T13:   0.0289 T23:   0.0119                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0567 L22:   1.5198                                     
REMARK   3      L33:   0.8058 L12:   0.4573                                     
REMARK   3      L13:  -0.2211 L23:   0.3197                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1348 S12:   0.1260 S13:   0.0560                       
REMARK   3      S21:  -0.0870 S22:  -0.0522 S23:   0.0043                       
REMARK   3      S31:  -0.3686 S32:  -0.1023 S33:  -0.0826                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G     3        G    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.5727  35.9110 -22.8263              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2282 T22:   0.2088                                     
REMARK   3      T33:   0.0604 T12:   0.0890                                     
REMARK   3      T13:   0.0075 T23:   0.0326                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8559 L22:   0.6533                                     
REMARK   3      L33:   2.3362 L12:   0.1903                                     
REMARK   3      L13:  -0.1054 L23:   0.3933                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0032 S12:   0.4246 S13:  -0.0545                       
REMARK   3      S21:  -0.0355 S22:   0.0337 S23:   0.0773                       
REMARK   3      S31:  -0.3087 S32:  -0.2539 S33:  -0.0369                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G    30        G    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.5009  35.5742 -30.5616              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3355 T22:   0.3832                                     
REMARK   3      T33:   0.0608 T12:   0.0559                                     
REMARK   3      T13:  -0.0160 T23:   0.0307                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.5942 L22:   5.1001                                     
REMARK   3      L33:   2.9738 L12:  -2.1793                                     
REMARK   3      L13:  -1.4647 L23:   3.5981                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0119 S12:   0.6276 S13:   0.0649                       
REMARK   3      S21:  -0.5383 S22:  -0.0438 S23:  -0.0411                       
REMARK   3      S31:  -0.4909 S32:  -0.3205 S33:   0.0557                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G    62        G   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.1586  38.3327 -22.7039              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2862 T22:   0.1684                                     
REMARK   3      T33:   0.0586 T12:  -0.0156                                     
REMARK   3      T13:   0.0897 T23:   0.0442                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8313 L22:   1.2654                                     
REMARK   3      L33:   2.2526 L12:  -0.0049                                     
REMARK   3      L13:  -0.1623 L23:  -0.0719                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0956 S12:   0.3478 S13:   0.1215                       
REMARK   3      S21:  -0.4055 S22:   0.0030 S23:  -0.2165                       
REMARK   3      S31:  -0.2929 S32:   0.0991 S33:  -0.0986                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   105        G   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.1294  35.1541 -11.7657              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1812 T22:   0.1057                                     
REMARK   3      T33:   0.0503 T12:  -0.0473                                     
REMARK   3      T13:   0.0494 T23:  -0.0107                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4061 L22:   1.8926                                     
REMARK   3      L33:   1.3867 L12:  -0.6819                                     
REMARK   3      L13:   0.3320 L23:  -0.4303                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1262 S12:   0.1069 S13:   0.1181                       
REMARK   3      S21:  -0.2081 S22:   0.0183 S23:  -0.1005                       
REMARK   3      S31:  -0.3358 S32:   0.1301 S33:  -0.1445                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   155        G   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):   4.8009  36.3658  -7.5002              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1957 T22:   0.0877                                     
REMARK   3      T33:   0.0764 T12:  -0.0324                                     
REMARK   3      T13:   0.0420 T23:   0.0000                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0370 L22:   1.3585                                     
REMARK   3      L33:   1.1411 L12:   0.0025                                     
REMARK   3      L13:  -0.2379 L23:   0.9318                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0431 S12:   0.1273 S13:   0.0182                       
REMARK   3      S21:  -0.0738 S22:   0.0383 S23:  -0.0314                       
REMARK   3      S31:  -0.2380 S32:   0.0492 S33:  -0.0814                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   194        G   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.1953  16.0845 -11.6620              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1769 T22:   0.0854                                     
REMARK   3      T33:   0.2210 T12:  -0.0094                                     
REMARK   3      T13:  -0.0099 T23:  -0.1262                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1500 L22:   4.9100                                     
REMARK   3      L33:   7.3800 L12:   2.3532                                     
REMARK   3      L13:  -3.5696 L23:  -2.9659                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5862 S12:   0.6635 S13:  -0.8945                       
REMARK   3      S21:  -0.1790 S22:   0.0491 S23:  -0.1200                       
REMARK   3      S31:   0.6718 S32:  -0.1793 S33:   0.5371                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   215        G   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -8.0891  31.2550  -7.3461              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2075 T22:   0.1191                                     
REMARK   3      T33:   0.0952 T12:   0.0386                                     
REMARK   3      T13:   0.0068 T23:  -0.0082                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3648 L22:   0.4363                                     
REMARK   3      L33:   0.6040 L12:  -0.1886                                     
REMARK   3      L13:  -0.4917 L23:  -0.2192                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0254 S12:   0.1841 S13:  -0.0302                       
REMARK   3      S21:  -0.1055 S22:  -0.0624 S23:  -0.0769                       
REMARK   3      S31:  -0.1194 S32:  -0.1066 S33:   0.0370                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H     3        H    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  31.7517  31.0534  14.6107              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0676 T22:   0.4440                                     
REMARK   3      T33:   0.3075 T12:  -0.1079                                     
REMARK   3      T13:  -0.0618 T23:  -0.0978                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2347 L22:   2.5952                                     
REMARK   3      L33:   3.4723 L12:   2.0820                                     
REMARK   3      L13:  -0.6965 L23:  -0.1984                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0449 S12:  -0.3763 S13:  -0.1410                       
REMARK   3      S21:  -0.0387 S22:   0.1558 S23:  -0.5264                       
REMARK   3      S31:  -0.1887 S32:   0.6741 S33:  -0.1108                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H    30        H    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  39.5809  32.5507  11.3371              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1065 T22:   0.6094                                     
REMARK   3      T33:   0.5389 T12:  -0.1811                                     
REMARK   3      T13:  -0.0964 T23:  -0.1423                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0055 L22:   0.6895                                     
REMARK   3      L33:  14.5940 L12:   0.1884                                     
REMARK   3      L13:  -1.0294 L23:  -1.7358                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1075 S12:  -0.1583 S13:   0.0534                       
REMARK   3      S21:   0.0845 S22:   0.0197 S23:  -0.3941                       
REMARK   3      S31:  -0.6723 S32:   1.2889 S33:   0.0878                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H    62        H   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  31.5899  30.0570  -0.1466              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0645 T22:   0.3174                                     
REMARK   3      T33:   0.2423 T12:  -0.1392                                     
REMARK   3      T13:   0.0513 T23:  -0.0966                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1728 L22:   3.7605                                     
REMARK   3      L33:   1.9257 L12:  -0.8072                                     
REMARK   3      L13:   0.9646 L23:  -1.0494                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0602 S12:   0.0459 S13:   0.0809                       
REMARK   3      S21:  -0.0553 S22:   0.1015 S23:  -0.4914                       
REMARK   3      S31:  -0.2451 S32:   0.6015 S33:  -0.1616                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   105        H   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  20.5824  32.2307  -1.8068              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1490 T22:   0.2378                                     
REMARK   3      T33:   0.1797 T12:  -0.1412                                     
REMARK   3      T13:   0.0615 T23:  -0.0691                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7213 L22:   0.4096                                     
REMARK   3      L33:   1.2617 L12:  -0.5951                                     
REMARK   3      L13:   0.2938 L23:  -0.4259                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0801 S12:   0.0678 S13:   0.0503                       
REMARK   3      S21:  -0.0613 S22:   0.0119 S23:  -0.0627                       
REMARK   3      S31:  -0.1973 S32:   0.3515 S33:  -0.0920                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   155        H   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4475  37.1273   5.9860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1728 T22:   0.2405                                     
REMARK   3      T33:   0.2142 T12:  -0.0821                                     
REMARK   3      T13:   0.0236 T23:  -0.0145                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2233 L22:   3.1114                                     
REMARK   3      L33:   2.4296 L12:   0.1380                                     
REMARK   3      L13:   0.2482 L23:  -0.2919                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0619 S12:  -0.0836 S13:   0.2690                       
REMARK   3      S21:   0.0899 S22:   0.0618 S23:  -0.2360                       
REMARK   3      S31:  -0.6001 S32:   0.2038 S33:  -0.1236                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   215        H   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.9706  33.7775  16.5400              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1844 T22:   0.2371                                     
REMARK   3      T33:   0.1583 T12:  -0.0960                                     
REMARK   3      T13:  -0.0014 T23:  -0.0359                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9981 L22:   1.7159                                     
REMARK   3      L33:   0.6656 L12:   0.1775                                     
REMARK   3      L13:   0.2900 L23:  -0.1933                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0229 S12:  -0.1645 S13:  -0.0083                       
REMARK   3      S21:  -0.0880 S22:   0.0797 S23:  -0.1292                       
REMARK   3      S31:  -0.2017 S32:   0.1986 S33:  -0.0568                       
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 4BNH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 15-MAY-13.                  
REMARK 100 THE PDBE ID CODE IS EBI-56183.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 17-AUG-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : 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) : 0.918                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD (MX-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   : 150132                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.15                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 33.50                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 6.0                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.9                               
REMARK 200  DATA REDUNDANCY                : 2.0                                
REMARK 200  R MERGE                    (I) : 0.07                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.80                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.15                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.27                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.0                                
REMARK 200  R MERGE FOR SHELL          (I) : 0.39                               
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   (%): 58                                        
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  38% 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: 19510 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32640 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -68.8 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 19840 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32280 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -65.8 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   -25                                                      
REMARK 465     LYS A   -24                                                      
REMARK 465     HIS A   -23                                                      
REMARK 465     HIS A   -22                                                      
REMARK 465     HIS A   -21                                                      
REMARK 465     HIS A   -20                                                      
REMARK 465     HIS A   -19                                                      
REMARK 465     HIS A   -18                                                      
REMARK 465     PRO A   -17                                                      
REMARK 465     MET A   -16                                                      
REMARK 465     SER A   -15                                                      
REMARK 465     ASP A   -14                                                      
REMARK 465     TYR A   -13                                                      
REMARK 465     ASP A   -12                                                      
REMARK 465     ILE A   -11                                                      
REMARK 465     PRO A   -10                                                      
REMARK 465     THR A    -9                                                      
REMARK 465     THR A    -8                                                      
REMARK 465     GLU A    -7                                                      
REMARK 465     ASN A    -6                                                      
REMARK 465     LEU A    -5                                                      
REMARK 465     TYR A    -4                                                      
REMARK 465     PHE A    -3                                                      
REMARK 465     GLN A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     ALA A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     VAL A     2                                                      
REMARK 465     MET B   -25                                                      
REMARK 465     LYS B   -24                                                      
REMARK 465     HIS B   -23                                                      
REMARK 465     HIS B   -22                                                      
REMARK 465     HIS B   -21                                                      
REMARK 465     HIS B   -20                                                      
REMARK 465     HIS B   -19                                                      
REMARK 465     HIS B   -18                                                      
REMARK 465     PRO B   -17                                                      
REMARK 465     MET B   -16                                                      
REMARK 465     SER B   -15                                                      
REMARK 465     ASP B   -14                                                      
REMARK 465     TYR B   -13                                                      
REMARK 465     ASP B   -12                                                      
REMARK 465     ILE B   -11                                                      
REMARK 465     PRO B   -10                                                      
REMARK 465     THR B    -9                                                      
REMARK 465     THR B    -8                                                      
REMARK 465     GLU B    -7                                                      
REMARK 465     ASN B    -6                                                      
REMARK 465     LEU B    -5                                                      
REMARK 465     TYR B    -4                                                      
REMARK 465     PHE B    -3                                                      
REMARK 465     GLN B    -2                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     ALA B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     MET C   -25                                                      
REMARK 465     LYS C   -24                                                      
REMARK 465     HIS C   -23                                                      
REMARK 465     HIS C   -22                                                      
REMARK 465     HIS C   -21                                                      
REMARK 465     HIS C   -20                                                      
REMARK 465     HIS C   -19                                                      
REMARK 465     HIS C   -18                                                      
REMARK 465     PRO C   -17                                                      
REMARK 465     MET C   -16                                                      
REMARK 465     SER C   -15                                                      
REMARK 465     ASP C   -14                                                      
REMARK 465     TYR C   -13                                                      
REMARK 465     ASP C   -12                                                      
REMARK 465     ILE C   -11                                                      
REMARK 465     PRO C   -10                                                      
REMARK 465     THR C    -9                                                      
REMARK 465     THR C    -8                                                      
REMARK 465     GLU C    -7                                                      
REMARK 465     ASN C    -6                                                      
REMARK 465     LEU C    -5                                                      
REMARK 465     TYR C    -4                                                      
REMARK 465     PHE C    -3                                                      
REMARK 465     GLN C    -2                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     ALA C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     MET D   -25                                                      
REMARK 465     LYS D   -24                                                      
REMARK 465     HIS D   -23                                                      
REMARK 465     HIS D   -22                                                      
REMARK 465     HIS D   -21                                                      
REMARK 465     HIS D   -20                                                      
REMARK 465     HIS D   -19                                                      
REMARK 465     HIS D   -18                                                      
REMARK 465     PRO D   -17                                                      
REMARK 465     MET D   -16                                                      
REMARK 465     SER D   -15                                                      
REMARK 465     ASP D   -14                                                      
REMARK 465     TYR D   -13                                                      
REMARK 465     ASP D   -12                                                      
REMARK 465     ILE D   -11                                                      
REMARK 465     PRO D   -10                                                      
REMARK 465     THR D    -9                                                      
REMARK 465     THR D    -8                                                      
REMARK 465     GLU D    -7                                                      
REMARK 465     ASN D    -6                                                      
REMARK 465     LEU D    -5                                                      
REMARK 465     TYR D    -4                                                      
REMARK 465     PHE D    -3                                                      
REMARK 465     GLN D    -2                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     ALA D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     VAL D     2                                                      
REMARK 465     MET E   -25                                                      
REMARK 465     LYS E   -24                                                      
REMARK 465     HIS E   -23                                                      
REMARK 465     HIS E   -22                                                      
REMARK 465     HIS E   -21                                                      
REMARK 465     HIS E   -20                                                      
REMARK 465     HIS E   -19                                                      
REMARK 465     HIS E   -18                                                      
REMARK 465     PRO E   -17                                                      
REMARK 465     MET E   -16                                                      
REMARK 465     SER E   -15                                                      
REMARK 465     ASP E   -14                                                      
REMARK 465     TYR E   -13                                                      
REMARK 465     ASP E   -12                                                      
REMARK 465     ILE E   -11                                                      
REMARK 465     PRO E   -10                                                      
REMARK 465     THR E    -9                                                      
REMARK 465     THR E    -8                                                      
REMARK 465     GLU E    -7                                                      
REMARK 465     ASN E    -6                                                      
REMARK 465     LEU E    -5                                                      
REMARK 465     TYR E    -4                                                      
REMARK 465     PHE E    -3                                                      
REMARK 465     GLN E    -2                                                      
REMARK 465     GLY E    -1                                                      
REMARK 465     ALA E     0                                                      
REMARK 465     MET E     1                                                      
REMARK 465     MET F   -25                                                      
REMARK 465     LYS F   -24                                                      
REMARK 465     HIS F   -23                                                      
REMARK 465     HIS F   -22                                                      
REMARK 465     HIS F   -21                                                      
REMARK 465     HIS F   -20                                                      
REMARK 465     HIS F   -19                                                      
REMARK 465     HIS F   -18                                                      
REMARK 465     PRO F   -17                                                      
REMARK 465     MET F   -16                                                      
REMARK 465     SER F   -15                                                      
REMARK 465     ASP F   -14                                                      
REMARK 465     TYR F   -13                                                      
REMARK 465     ASP F   -12                                                      
REMARK 465     ILE F   -11                                                      
REMARK 465     PRO F   -10                                                      
REMARK 465     THR F    -9                                                      
REMARK 465     THR F    -8                                                      
REMARK 465     GLU F    -7                                                      
REMARK 465     ASN F    -6                                                      
REMARK 465     LEU F    -5                                                      
REMARK 465     TYR F    -4                                                      
REMARK 465     PHE F    -3                                                      
REMARK 465     GLN F    -2                                                      
REMARK 465     GLY F    -1                                                      
REMARK 465     ALA F     0                                                      
REMARK 465     MET F     1                                                      
REMARK 465     MET G   -25                                                      
REMARK 465     LYS G   -24                                                      
REMARK 465     HIS G   -23                                                      
REMARK 465     HIS G   -22                                                      
REMARK 465     HIS G   -21                                                      
REMARK 465     HIS G   -20                                                      
REMARK 465     HIS G   -19                                                      
REMARK 465     HIS G   -18                                                      
REMARK 465     PRO G   -17                                                      
REMARK 465     MET G   -16                                                      
REMARK 465     SER G   -15                                                      
REMARK 465     ASP G   -14                                                      
REMARK 465     TYR G   -13                                                      
REMARK 465     ASP G   -12                                                      
REMARK 465     ILE G   -11                                                      
REMARK 465     PRO G   -10                                                      
REMARK 465     THR G    -9                                                      
REMARK 465     THR G    -8                                                      
REMARK 465     GLU G    -7                                                      
REMARK 465     ASN G    -6                                                      
REMARK 465     LEU G    -5                                                      
REMARK 465     TYR G    -4                                                      
REMARK 465     PHE G    -3                                                      
REMARK 465     GLN G    -2                                                      
REMARK 465     GLY G    -1                                                      
REMARK 465     ALA G     0                                                      
REMARK 465     MET G     1                                                      
REMARK 465     MET H   -25                                                      
REMARK 465     LYS H   -24                                                      
REMARK 465     HIS H   -23                                                      
REMARK 465     HIS H   -22                                                      
REMARK 465     HIS H   -21                                                      
REMARK 465     HIS H   -20                                                      
REMARK 465     HIS H   -19                                                      
REMARK 465     HIS H   -18                                                      
REMARK 465     PRO H   -17                                                      
REMARK 465     MET H   -16                                                      
REMARK 465     SER H   -15                                                      
REMARK 465     ASP H   -14                                                      
REMARK 465     TYR H   -13                                                      
REMARK 465     ASP H   -12                                                      
REMARK 465     ILE H   -11                                                      
REMARK 465     PRO H   -10                                                      
REMARK 465     THR H    -9                                                      
REMARK 465     THR H    -8                                                      
REMARK 465     GLU H    -7                                                      
REMARK 465     ASN H    -6                                                      
REMARK 465     LEU H    -5                                                      
REMARK 465     TYR H    -4                                                      
REMARK 465     PHE H    -3                                                      
REMARK 465     GLN H    -2                                                      
REMARK 465     GLY H    -1                                                      
REMARK 465     ALA H     0                                                      
REMARK 465     MET H     1                                                      
REMARK 465     VAL H     2                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   OE2B GLU A   100     NZ   LYS E    41              2.06            
REMARK 500   OD2B ASP A   101     O    HOH A  2081              2.17            
REMARK 500   NH2A ARG C    18     O    HOH C  2023              2.15            
REMARK 500   O  B SER D   239     O    HOH A  2156              2.15            
REMARK 500   OE2A GLU E    42     O    HOH A  2097              2.19            
REMARK 500   OE1B GLU E    42     NH2  ARG E    45              2.18            
REMARK 500   OD2B ASP E   101     O    HOH E  2076              1.89            
REMARK 500   NH2  ARG F    18     O    HOH F  2016              1.82            
REMARK 500   O    LEU F   102     O    HOH F  2064              1.90            
REMARK 500   O  B SER G   239     O    HOH F  2113              2.18            
REMARK 500   OE2  GLU H   151     O    HOH H  2065              2.19            
REMARK 500   O  B SER H   239     O    HOH E  2134              2.10            
REMARK 500   O    HOH D  2010     O    HOH D  2027              2.19            
REMARK 500   O    HOH E  2014     O    HOH E  2031              2.12            
REMARK 500   O    HOH E  2021     O    HOH A  2177              2.14            
REMARK 500   O    HOH G  2041     O    HOH G  2086              2.13            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ASP B 101   CB  -  CG  -  OD1 ANGL. DEV. =   5.7 DEGREES          
REMARK 500    ARG B 103   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.3 DEGREES          
REMARK 500    ARG G 103   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ARG A  40      -63.48    -96.30                                   
REMARK 500    SER A 122      -57.67   -142.71                                   
REMARK 500    ASN A 156      -29.97     81.95                                   
REMARK 500    ASN A 158     -121.38     43.81                                   
REMARK 500    ASP A 249       23.67   -155.41                                   
REMARK 500    ARG B  40      -62.05    -96.59                                   
REMARK 500    VAL B  67        4.83    -69.97                                   
REMARK 500    LEU B 102       34.80    -84.41                                   
REMARK 500    SER B 122      -60.33   -137.85                                   
REMARK 500    ASN B 156      -20.26     80.57                                   
REMARK 500    ASN B 158     -124.53     46.44                                   
REMARK 500    VAL B 248       79.80   -104.05                                   
REMARK 500    ASP B 249       25.78   -151.22                                   
REMARK 500    ASN C   6       -3.00     80.86                                   
REMARK 500    ARG C  40      -60.63   -104.18                                   
REMARK 500    SER C 122      -54.80   -131.24                                   
REMARK 500    GLN C 155      130.00    -39.71                                   
REMARK 500    ASN C 156      -19.54     82.31                                   
REMARK 500    ASN C 158     -114.70     49.41                                   
REMARK 500    ASP C 249       33.10   -151.50                                   
REMARK 500    SER C 250       16.07     51.24                                   
REMARK 500    GLN D  57      109.63    -46.36                                   
REMARK 500    SER D 122      -62.55   -136.50                                   
REMARK 500    ASN D 156      -23.94     81.35                                   
REMARK 500    ASN D 158     -116.89     47.64                                   
REMARK 500    VAL D 248       78.24   -111.28                                   
REMARK 500    ASP D 249       22.37   -147.58                                   
REMARK 500    SER E 122      -60.96   -131.01                                   
REMARK 500    GLN E 155      131.93    -34.55                                   
REMARK 500    ASN E 156      -29.13     78.71                                   
REMARK 500    ASN E 158     -119.84     47.11                                   
REMARK 500    ARG E 194      105.59    -56.59                                   
REMARK 500    ASP E 249       13.99   -153.87                                   
REMARK 500    ASN F   6       -1.71     73.06                                   
REMARK 500    SER F 122      -60.23   -140.52                                   
REMARK 500    THR F 146     -169.39   -124.32                                   
REMARK 500    GLN F 155      129.17    -31.50                                   
REMARK 500    ASN F 156      -28.01     82.19                                   
REMARK 500    ASN F 158     -118.92     40.85                                   
REMARK 500    ASP F 249       29.66   -153.04                                   
REMARK 500    ASN G  16     -166.93   -170.63                                   
REMARK 500    SER G 122      -55.46   -136.23                                   
REMARK 500    ASN G 156      -30.64     83.13                                   
REMARK 500    ASN G 158     -118.58     43.51                                   
REMARK 500    ASP G 249       24.05   -154.86                                   
REMARK 500    ASN H   6       16.54     56.16                                   
REMARK 500    ASN H  16     -167.54   -160.41                                   
REMARK 500    GLU H  47      -60.10    -25.88                                   
REMARK 500    SER H 122      -53.61   -125.66                                   
REMARK 500    GLN H 155      129.13    -26.43                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      54 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 VAL B    2     ASN B    3                  147.58                    
REMARK 500 VAL E    2     ASN E    3                  142.40                    
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 NAP A1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN A1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU A1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP B1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN B1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU B1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP C1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN C1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU C1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU C1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP D1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN D1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU D1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP E1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN E1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU E1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP F1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN F1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU F1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP G1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN G1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP H1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 6PN H1258                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4BNF   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 2-PHENOXY-5-PROPYLPHENOL                                   
REMARK 900 RELATED ID: 4BNG   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-PENTYL-2-PHENOXYPHENOL                                   
REMARK 900 RELATED ID: 4BNI   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 2-(2-AMINOPHENOXY)-5-HEXYLPHENOL                           
REMARK 900 RELATED ID: 4BNJ   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-METHYL-2-PHENOXYPHENOL                                   
REMARK 900 RELATED ID: 4BNK   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-FLUORO-2-PHENOXYPHENOL                                   
REMARK 900 RELATED ID: 4BNL   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 2-PHENOXY-5-(2-PROPENYL)PHENOL                             
REMARK 900 RELATED ID: 4BNM   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL                          
REMARK 900 RELATED ID: 4BNN   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL                           
DBREF  4BNH A    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH B    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH C    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH D    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH E    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH F    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH G    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNH H    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
SEQADV 4BNH MET A  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS A  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS A  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS A  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS A  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS A  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS A  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS A  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO A  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET A  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER A  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP A  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR A  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP A  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE A  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO A  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR A   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR A   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU A   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN A   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU A   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR A   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE A   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN A   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY A   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA A    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET A    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL A    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET B  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS B  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS B  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS B  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS B  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS B  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS B  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS B  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO B  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET B  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER B  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP B  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR B  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP B  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE B  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO B  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR B   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR B   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU B   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN B   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU B   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR B   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE B   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN B   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY B   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA B    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET B    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL B    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET C  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS C  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS C  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS C  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS C  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS C  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS C  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS C  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO C  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET C  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER C  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP C  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR C  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP C  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE C  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO C  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR C   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR C   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU C   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN C   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU C   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR C   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE C   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN C   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY C   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA C    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET C    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL C    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET D  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS D  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS D  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS D  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS D  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS D  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS D  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS D  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO D  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET D  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER D  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP D  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR D  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP D  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE D  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO D  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR D   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR D   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU D   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN D   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU D   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR D   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE D   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN D   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY D   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA D    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET D    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL D    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET E  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS E  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS E  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS E  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS E  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS E  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS E  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS E  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO E  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET E  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER E  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP E  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR E  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP E  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE E  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO E  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR E   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR E   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU E   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN E   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU E   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR E   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE E   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN E   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY E   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA E    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET E    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL E    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET F  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS F  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS F  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS F  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS F  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS F  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS F  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS F  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO F  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET F  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER F  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP F  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR F  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP F  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE F  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO F  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR F   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR F   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU F   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN F   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU F   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR F   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE F   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN F   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY F   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA F    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET F    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL F    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET G  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS G  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS G  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS G  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS G  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS G  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS G  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS G  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO G  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET G  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER G  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP G  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR G  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP G  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE G  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO G  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR G   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR G   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU G   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN G   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU G   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR G   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE G   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN G   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY G   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA G    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET G    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL G    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNH MET H  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LYS H  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS H  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS H  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS H  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS H  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS H  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH HIS H  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO H  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET H  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH SER H  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP H  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR H  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASP H  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ILE H  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PRO H  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR H   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH THR H   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLU H   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ASN H   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH LEU H   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH TYR H   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH PHE H   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLN H   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH GLY H   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH ALA H    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH MET H    1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNH VAL H    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQRES   1 A  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 A  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 A  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 A  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 A  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 A  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 A  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 A  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 A  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 A  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 A  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 A  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 A  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 A  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 A  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 A  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 A  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 A  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 A  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 A  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 A  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 A  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 B  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 B  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 B  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 B  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 B  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 B  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 B  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 B  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 B  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 B  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 B  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 B  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 B  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 B  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 B  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 B  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 B  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 B  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 B  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 B  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 B  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 B  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 C  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 C  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 C  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 C  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 C  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 C  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 C  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 C  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 C  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 C  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 C  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 C  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 C  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 C  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 C  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 C  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 C  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 C  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 C  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 C  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 C  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 C  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 D  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 D  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 D  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 D  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 D  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 D  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 D  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 D  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 D  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 D  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 D  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 D  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 D  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 D  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 D  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 D  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 D  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 D  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 D  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 D  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 D  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 D  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 E  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 E  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 E  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 E  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 E  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 E  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 E  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 E  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 E  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 E  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 E  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 E  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 E  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 E  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 E  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 E  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 E  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 E  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 E  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 E  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 E  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 E  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 F  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 F  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 F  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 F  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 F  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 F  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 F  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 F  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 F  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 F  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 F  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 F  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 F  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 F  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 F  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 F  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 F  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 F  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 F  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 F  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 F  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 F  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 G  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 G  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 G  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 G  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 G  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 G  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 G  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 G  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 G  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 G  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 G  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 G  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 G  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 G  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 G  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 G  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 G  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 G  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 G  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 G  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 G  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 G  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
SEQRES   1 H  282  MET LYS HIS HIS HIS HIS HIS HIS PRO MET SER ASP TYR          
SEQRES   2 H  282  ASP ILE PRO THR THR GLU ASN LEU TYR PHE GLN GLY ALA          
SEQRES   3 H  282  MET VAL ASN LEU GLU ASN LYS THR TYR VAL ILE MET GLY          
SEQRES   4 H  282  ILE ALA ASN LYS ARG SER ILE ALA PHE GLY VAL ALA LYS          
SEQRES   5 H  282  VAL LEU ASP GLN LEU GLY ALA LYS LEU VAL PHE THR TYR          
SEQRES   6 H  282  ARG LYS GLU ARG SER ARG LYS GLU LEU GLU LYS LEU LEU          
SEQRES   7 H  282  GLU GLN LEU ASN GLN PRO GLU ALA HIS LEU TYR GLN ILE          
SEQRES   8 H  282  ASP VAL GLN SER ASP GLU GLU VAL ILE ASN GLY PHE GLU          
SEQRES   9 H  282  GLN ILE GLY LYS ASP VAL GLY ASN ILE ASP GLY VAL TYR          
SEQRES  10 H  282  HIS SER ILE ALA PHE ALA ASN MET GLU ASP LEU ARG GLY          
SEQRES  11 H  282  ARG PHE SER GLU THR SER ARG GLU GLY PHE LEU LEU ALA          
SEQRES  12 H  282  GLN ASP ILE SER SER TYR SER LEU THR ILE VAL ALA HIS          
SEQRES  13 H  282  GLU ALA LYS LYS LEU MET PRO GLU GLY GLY SER ILE VAL          
SEQRES  14 H  282  ALA THR THR TYR LEU GLY GLY GLU PHE ALA VAL GLN ASN          
SEQRES  15 H  282  TYR ASN VAL MET GLY VAL ALA LYS ALA SER LEU GLU ALA          
SEQRES  16 H  282  ASN VAL LYS TYR LEU ALA LEU ASP LEU GLY PRO ASP ASN          
SEQRES  17 H  282  ILE ARG VAL ASN ALA ILE SER ALA GLY PRO ILE ARG THR          
SEQRES  18 H  282  LEU SER ALA LYS GLY VAL GLY GLY PHE ASN THR ILE LEU          
SEQRES  19 H  282  LYS GLU ILE GLU GLU ARG ALA PRO LEU LYS ARG ASN VAL          
SEQRES  20 H  282  ASP GLN VAL GLU VAL GLY LYS THR ALA ALA TYR LEU LEU          
SEQRES  21 H  282  SER ASP LEU SER SER GLY VAL THR GLY GLU ASN ILE HIS          
SEQRES  22 H  282  VAL ASP SER GLY PHE HIS ALA ILE LYS                          
HET    NAP  A1257      48                                                       
HET    6PN  A1258      20                                                       
HET    GLU  A1259      10                                                       
HET    NAP  B1257      48                                                       
HET    6PN  B1258      20                                                       
HET    GLU  B1259      10                                                       
HET    NAP  C1257      48                                                       
HET    6PN  C1258      20                                                       
HET    GLU  C1259      10                                                       
HET    GLU  C1260      10                                                       
HET    NAP  D1257      48                                                       
HET    6PN  D1258      20                                                       
HET    GLU  D1259      10                                                       
HET    NAP  E1257      48                                                       
HET    6PN  E1258      20                                                       
HET    GLU  E1259      10                                                       
HET    NAP  F1257      48                                                       
HET    6PN  F1258      20                                                       
HET    GLU  F1259      10                                                       
HET    NAP  G1257      48                                                       
HET    6PN  G1258      20                                                       
HET    NAP  H1257      48                                                       
HET    6PN  H1258      20                                                       
HETNAM     NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE                           
HETNAM   2 NAP  PHOSPHATE                                                       
HETNAM     6PN 5-HEXYL-2-PHENOXYPHENOL                                          
HETNAM     GLU GLUTAMIC ACID                                                    
HETSYN     NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE                       
FORMUL   9  NAP    8(C21 H28 N7 O17 P3)                                         
FORMUL  10  6PN    8(C18 H22 O2)                                                
FORMUL  11  GLU    7(C5 H9 N O4)                                                
FORMUL  12  HOH   *1074(H2 O)                                                   
HELIX    1   1 SER A   19  LEU A   31  1                                  13    
HELIX    2   2 LYS A   41  LEU A   52  1                                  12    
HELIX    3   3 GLU A   53  LEU A   55  5                                   3    
HELIX    4   4 SER A   69  GLY A   85  1                                  17    
HELIX    5   5 ASN A   98  LEU A  102  5                                   5    
HELIX    6   6 ARG A  105  THR A  109  5                                   5    
HELIX    7   7 SER A  110  SER A  122  1                                  13    
HELIX    8   8 SER A  122  LYS A  133  1                                  12    
HELIX    9   9 LYS A  134  MET A  136  5                                   3    
HELIX   10  10 TYR A  147  GLU A  151  5                                   5    
HELIX   11  11 TYR A  157  GLY A  179  1                                  23    
HELIX   12  12 LEU A  196  VAL A  201  5                                   6    
HELIX   13  13 GLY A  203  ALA A  215  1                                  13    
HELIX   14  14 ASP A  222  SER A  235  1                                  14    
HELIX   15  15 ASP A  236  SER A  239  5                                   4    
HELIX   16  16 GLY A  251  ALA A  254  5                                   4    
HELIX   17  17 SER B   19  LEU B   31  1                                  13    
HELIX   18  18 LYS B   41  LEU B   52  1                                  12    
HELIX   19  19 GLU B   53  LEU B   55  5                                   3    
HELIX   20  20 SER B   69  GLY B   85  1                                  17    
HELIX   21  21 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  134  1                                  13    
HELIX   24  24 TYR B  147  GLU B  151  5                                   5    
HELIX   25  25 ASN B  158  GLY B  179  1                                  22    
HELIX   26  26 LEU B  196  VAL B  201  5                                   6    
HELIX   27  27 GLY B  203  ALA B  215  1                                  13    
HELIX   28  28 ASP B  222  SER B  235  1                                  14    
HELIX   29  29 ASP B  236  SER B  239  5                                   4    
HELIX   30  30 GLY B  251  ALA B  254  5                                   4    
HELIX   31  31 SER C   19  LEU C   31  1                                  13    
HELIX   32  32 LYS C   41  LEU C   52  1                                  12    
HELIX   33  33 GLU C   53  LEU C   55  5                                   3    
HELIX   34  34 SER C   69  GLY C   85  1                                  17    
HELIX   35  35 ASN C   98  ARG C  103  5                                   6    
HELIX   36  36 ARG C  105  THR C  109  5                                   5    
HELIX   37  37 SER C  110  SER C  122  1                                  13    
HELIX   38  38 SER C  122  LYS C  134  1                                  13    
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  ALA C  254  5                                   4    
HELIX   46  46 SER D   19  LEU D   31  1                                  13    
HELIX   47  47 LYS D   41  LEU D   52  1                                  12    
HELIX   48  48 GLU D   53  LEU D   55  5                                   3    
HELIX   49  49 SER D   69  GLY D   85  1                                  17    
HELIX   50  50 ASN D   98  ARG D  103  5                                   6    
HELIX   51  51 ARG D  105  THR D  109  5                                   5    
HELIX   52  52 SER D  110  SER D  122  1                                  13    
HELIX   53  53 SER D  122  LYS D  134  1                                  13    
HELIX   54  54 TYR D  147  GLU D  151  5                                   5    
HELIX   55  55 TYR D  157  GLY D  179  1                                  23    
HELIX   56  56 THR D  195  GLY D  200  1                                   6    
HELIX   57  57 GLY D  203  ALA D  215  1                                  13    
HELIX   58  58 ASP D  222  SER D  235  1                                  14    
HELIX   59  59 ASP D  236  SER D  239  5                                   4    
HELIX   60  60 GLY D  251  ALA D  254  5                                   4    
HELIX   61  61 SER E   19  LEU E   31  1                                  13    
HELIX   62  62 LYS E   41  GLU E   53  1                                  13    
HELIX   63  63 SER E   69  GLY E   85  1                                  17    
HELIX   64  64 ASN E   98  LEU E  102  5                                   5    
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  ALA E  254  5                                   4    
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  ALA F  254  5                                   4    
HELIX   89  89 SER G   19  LEU G   31  1                                  13    
HELIX   90  90 LYS G   41  LEU G   52  1                                  12    
HELIX   91  91 SER G   69  GLY G   85  1                                  17    
HELIX   92  92 ASN G   98  ARG G  103  5                                   6    
HELIX   93  93 ARG G  105  THR G  109  5                                   5    
HELIX   94  94 SER G  110  SER G  122  1                                  13    
HELIX   95  95 SER G  122  LYS G  133  1                                  12    
HELIX   96  96 LYS G  134  MET G  136  5                                   3    
HELIX   97  97 TYR G  147  GLU G  151  5                                   5    
HELIX   98  98 TYR G  157  GLY G  179  1                                  23    
HELIX   99  99 LEU G  196  VAL G  201  5                                   6    
HELIX  100 100 GLY G  203  ALA G  215  1                                  13    
HELIX  101 101 ASP G  222  SER G  235  1                                  14    
HELIX  102 102 ASP G  236  SER G  239  5                                   4    
HELIX  103 103 GLY G  251  ALA G  254  5                                   4    
HELIX  104 104 SER H   19  LEU H   31  1                                  13    
HELIX  105 105 LYS H   41  LEU H   52  1                                  12    
HELIX  106 106 GLU H   53  LEU H   55  5                                   3    
HELIX  107 107 SER H   69  GLY H   85  1                                  17    
HELIX  108 108 ASN H   98  LEU H  102  5                                   5    
HELIX  109 109 ARG H  105  THR H  109  5                                   5    
HELIX  110 110 SER H  110  SER H  122  1                                  13    
HELIX  111 111 SER H  122  LYS H  133  1                                  12    
HELIX  112 112 LYS H  134  MET H  136  5                                   3    
HELIX  113 113 TYR H  147  GLU H  151  5                                   5    
HELIX  114 114 TYR H  157  GLY H  179  1                                  23    
HELIX  115 115 LEU H  196  VAL H  201  5                                   6    
HELIX  116 116 GLY H  203  ALA H  215  1                                  13    
HELIX  117 117 ASP H  222  SER H  235  1                                  14    
HELIX  118 118 ASP H  236  SER H  239  5                                   4    
HELIX  119 119 GLY H  251  ALA H  254  5                                   4    
SHEET    1  AA 7 LEU A  62  GLN A  64  0                                        
SHEET    2  AA 7 LYS A  34  TYR A  39  1  O  PHE A  37   N  TYR A  63           
SHEET    3  AA 7 THR A   8  MET A  12  1  O  TYR A   9   N  VAL A  36           
SHEET    4  AA 7 GLY A  89  HIS A  92  1  O  GLY A  89   N  VAL A  10           
SHEET    5  AA 7 GLY A 140  THR A 146  1  O  SER A 141   N  VAL A  90           
SHEET    6  AA 7 ILE A 183  ALA A 190  1  O  ARG A 184   N  ILE A 142           
SHEET    7  AA 7 ASN A 245  VAL A 248  1  O  ILE A 246   N  SER A 189           
SHEET    1  BA 7 LEU B  62  GLN B  64  0                                        
SHEET    2  BA 7 LYS B  34  TYR B  39  1  O  PHE B  37   N  TYR B  63           
SHEET    3  BA 7 THR B   8  MET B  12  1  O  TYR B   9   N  VAL B  36           
SHEET    4  BA 7 GLY B  89  HIS B  92  1  O  GLY B  89   N  VAL B  10           
SHEET    5  BA 7 GLY B 140  THR B 146  1  O  SER B 141   N  VAL B  90           
SHEET    6  BA 7 ILE B 183  ALA B 190  1  O  ARG B 184   N  ILE B 142           
SHEET    7  BA 7 ASN B 245  VAL B 248  1  O  ILE B 246   N  SER B 189           
SHEET    1  CA 7 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  FA 7 LEU F  62  GLN F  64  0                                        
SHEET    2  FA 7 LYS F  34  TYR F  39  1  O  PHE F  37   N  TYR F  63           
SHEET    3  FA 7 THR F   8  MET F  12  1  O  TYR F   9   N  VAL F  36           
SHEET    4  FA 7 GLY F  89  HIS F  92  1  O  GLY F  89   N  VAL F  10           
SHEET    5  FA 7 GLY F 140  THR F 146  1  O  SER F 141   N  VAL F  90           
SHEET    6  FA 7 ILE F 183  ALA F 190  1  O  ARG F 184   N  ILE F 142           
SHEET    7  FA 7 ASN F 245  VAL F 248  1  O  ILE F 246   N  SER F 189           
SHEET    1  GA 7 LEU G  62  GLN G  64  0                                        
SHEET    2  GA 7 LYS G  34  TYR G  39  1  O  PHE G  37   N  TYR G  63           
SHEET    3  GA 7 THR G   8  MET G  12  1  O  TYR G   9   N  VAL G  36           
SHEET    4  GA 7 GLY G  89  HIS G  92  1  O  GLY G  89   N  VAL G  10           
SHEET    5  GA 7 GLY G 140  THR G 146  1  O  SER G 141   N  VAL G  90           
SHEET    6  GA 7 ILE G 183  ALA G 190  1  O  ARG G 184   N  ILE G 142           
SHEET    7  GA 7 ASN G 245  VAL G 248  1  O  ILE G 246   N  SER G 189           
SHEET    1  HA 7 HIS H  61  GLN H  64  0                                        
SHEET    2  HA 7 LYS H  34  TYR H  39  1  O  LEU H  35   N  HIS H  61           
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 31 GLY A  13  ILE A  14  ALA A  15  SER A  19                    
SITE     2 AC1 31 ILE A  20  ARG A  40  LYS A  41  SER A  44                    
SITE     3 AC1 31 ILE A  65  ASP A  66  VAL A  67  SER A  93                    
SITE     4 AC1 31 ILE A  94  ALA A  95  ILE A 120  THR A 145                    
SITE     5 AC1 31 THR A 146  TYR A 147  LYS A 164  ALA A 190                    
SITE     6 AC1 31 GLY A 191  PRO A 192  ILE A 193  THR A 195                    
SITE     7 AC1 31 SER A 197  6PN A1258  HOH A2010  HOH A2011                    
SITE     8 AC1 31 HOH A2012  HOH A2014  HOH A2176                               
SITE     1 AC2 10 ALA A  95  LEU A 102  TYR A 147  VAL A 154                    
SITE     2 AC2 10 GLN A 155  TYR A 157  SER A 197  VAL A 201                    
SITE     3 AC2 10 PHE A 204  NAP A1257                                          
SITE     1 AC3  4 ARG A 103  GLY A 203  HOH A2146  LYS E 199                    
SITE     1 AC4 30 GLY B  13  ILE B  14  ALA B  15  SER B  19                    
SITE     2 AC4 30 ILE B  20  ARG B  40  LYS B  41  SER B  44                    
SITE     3 AC4 30 ILE B  65  ASP B  66  VAL B  67  SER B  93                    
SITE     4 AC4 30 ILE B  94  ALA B  95  ILE B 120  THR B 145                    
SITE     5 AC4 30 THR B 146  TYR B 147  LYS B 164  ALA B 190                    
SITE     6 AC4 30 GLY B 191  PRO B 192  ILE B 193  THR B 195                    
SITE     7 AC4 30 SER B 197  6PN B1258  HOH B2007  HOH B2008                    
SITE     8 AC4 30 HOH B2009  HOH B2011                                          
SITE     1 AC5  9 LEU B 102  TYR B 147  GLN B 155  TYR B 157                    
SITE     2 AC5  9 SER B 197  VAL B 201  PHE B 204  ILE B 207                    
SITE     3 AC5  9 NAP B1257                                                     
SITE     1 AC6  5 ARG B 103  HOH B2101  HOH B2103  LYS G 199                    
SITE     2 AC6  5 HOH G2020                                                     
SITE     1 AC7 30 GLY C  13  ILE C  14  ALA C  15  SER C  19                    
SITE     2 AC7 30 ILE C  20  ARG C  40  LYS C  41  SER C  44                    
SITE     3 AC7 30 ILE C  65  ASP C  66  VAL C  67  SER C  93                    
SITE     4 AC7 30 ILE C  94  ALA C  95  ILE C 120  THR C 145                    
SITE     5 AC7 30 THR C 146  LYS C 164  ALA C 190  GLY C 191                    
SITE     6 AC7 30 PRO C 192  ILE C 193  THR C 195  SER C 197                    
SITE     7 AC7 30 6PN C1258  HOH C2013  HOH C2014  HOH C2015                    
SITE     8 AC7 30 HOH C2017  GLU F 100                                          
SITE     1 AC8  8 ALA C  95  TYR C 147  GLN C 155  TYR C 157                    
SITE     2 AC8  8 SER C 197  VAL C 201  GLY C 202  NAP C1257                    
SITE     1 AC9  4 LYS C   7  ASP C  88  GLY C 140  ARG C 184                    
SITE     1 BC1  6 ARG C 103  GLY C 203  HOH C2001  HOH C2002                    
SITE     2 BC1  6 ARG F  18  LYS F 199                                          
SITE     1 BC2 29 GLY D  13  ILE D  14  ALA D  15  SER D  19                    
SITE     2 BC2 29 ILE D  20  ARG D  40  LYS D  41  SER D  44                    
SITE     3 BC2 29 ILE D  65  ASP D  66  VAL D  67  SER D  93                    
SITE     4 BC2 29 ILE D  94  ALA D  95  ILE D 120  THR D 145                    
SITE     5 BC2 29 THR D 146  LYS D 164  ALA D 190  PRO D 192                    
SITE     6 BC2 29 ILE D 193  THR D 195  LEU D 196  SER D 197                    
SITE     7 BC2 29 6PN D1258  HOH D2011  HOH D2012  HOH D2013                    
SITE     8 BC2 29 HOH D2014                                                     
SITE     1 BC3 10 ALA D  95  LEU D 102  TYR D 147  GLN D 155                    
SITE     2 BC3 10 TYR D 157  MET D 160  LYS D 164  SER D 197                    
SITE     3 BC3 10 VAL D 201  NAP D1257                                          
SITE     1 BC4  5 LYS A 199  HOH D2104  HOH D2106  ARG E 103                    
SITE     2 BC4  5 GLY E 203                                                     
SITE     1 BC5 32 HOH A2083  GLY E  13  ILE E  14  ALA E  15                    
SITE     2 BC5 32 SER E  19  ILE E  20  ARG E  40  LYS E  41                    
SITE     3 BC5 32 SER E  44  ILE E  65  ASP E  66  VAL E  67                    
SITE     4 BC5 32 SER E  93  ILE E  94  ALA E  95  ILE E 120                    
SITE     5 BC5 32 THR E 145  THR E 146  TYR E 147  LYS E 164                    
SITE     6 BC5 32 ALA E 190  GLY E 191  PRO E 192  ILE E 193                    
SITE     7 BC5 32 THR E 195  LEU E 196  SER E 197  6PN E1258                    
SITE     8 BC5 32 HOH E2012  HOH E2013  HOH E2015  HOH E2017                    
SITE     1 BC6 15 ALA E  95  PHE E  96  ALA E  97  LEU E 102                    
SITE     2 BC6 15 TYR E 147  VAL E 154  GLN E 155  TYR E 157                    
SITE     3 BC6 15 MET E 160  SER E 197  ALA E 198  VAL E 201                    
SITE     4 BC6 15 PHE E 204  ILE E 207  NAP E1257                               
SITE     1 BC7  5 ARG C  18  LYS C 199  HOH E2156  ARG F 103                    
SITE     2 BC7  5 GLY F 203                                                     
SITE     1 BC8 30 GLY F  13  ILE F  14  ALA F  15  SER F  19                    
SITE     2 BC8 30 ILE F  20  ARG F  40  LYS F  41  SER F  44                    
SITE     3 BC8 30 ILE F  65  ASP F  66  VAL F  67  SER F  93                    
SITE     4 BC8 30 ILE F  94  ALA F  95  ILE F 120  THR F 145                    
SITE     5 BC8 30 THR F 146  TYR F 147  LYS F 164  ALA F 190                    
SITE     6 BC8 30 GLY F 191  PRO F 192  ILE F 193  THR F 195                    
SITE     7 BC8 30 SER F 197  6PN F1258  HOH F2008  HOH F2009                    
SITE     8 BC8 30 HOH F2010  HOH F2011                                          
SITE     1 BC9 10 TYR F 147  VAL F 154  GLN F 155  TYR F 157                    
SITE     2 BC9 10 MET F 160  LYS F 164  SER F 197  VAL F 201                    
SITE     3 BC9 10 PHE F 204  NAP F1257                                          
SITE     1 CC1  6 ARG B  18  LYS B 199  HOH F2129  HOH F2130                    
SITE     2 CC1  6 ARG G 103  GLY G 203                                          
SITE     1 CC2 32 GLU B 100  HOH B2061  GLY G  13  ILE G  14                    
SITE     2 CC2 32 ALA G  15  SER G  19  ILE G  20  ARG G  40                    
SITE     3 CC2 32 LYS G  41  SER G  44  ILE G  65  ASP G  66                    
SITE     4 CC2 32 VAL G  67  SER G  93  ILE G  94  ALA G  95                    
SITE     5 CC2 32 ILE G 120  THR G 145  THR G 146  TYR G 147                    
SITE     6 CC2 32 LYS G 164  ALA G 190  GLY G 191  PRO G 192                    
SITE     7 CC2 32 ILE G 193  THR G 195  SER G 197  6PN G1258                    
SITE     8 CC2 32 HOH G2011  HOH G2012  HOH G2013  HOH G2015                    
SITE     1 CC3  9 ALA G  95  TYR G 147  VAL G 154  GLN G 155                    
SITE     2 CC3  9 TYR G 157  MET G 160  SER G 197  VAL G 201                    
SITE     3 CC3  9 NAP G1257                                                     
SITE     1 CC4 31 GLY H  13  ILE H  14  ALA H  15  SER H  19                    
SITE     2 CC4 31 ILE H  20  ARG H  40  LYS H  41  SER H  44                    
SITE     3 CC4 31 ILE H  65  ASP H  66  VAL H  67  SER H  93                    
SITE     4 CC4 31 ILE H  94  ALA H  95  ILE H 120  THR H 145                    
SITE     5 CC4 31 THR H 146  TYR H 147  LYS H 164  ALA H 190                    
SITE     6 CC4 31 GLY H 191  PRO H 192  ILE H 193  THR H 195                    
SITE     7 CC4 31 SER H 197  6PN H1258  HOH H2008  HOH H2009                    
SITE     8 CC4 31 HOH H2010  HOH H2011  HOH H2099                               
SITE     1 CC5 10 TYR H 147  VAL H 154  GLN H 155  TYR H 157                    
SITE     2 CC5 10 MET H 160  LYS H 164  SER H 197  ALA H 198                    
SITE     3 CC5 10 VAL H 201  NAP H1257                                          
CRYST1   90.460   94.580   94.810  98.00 112.68  96.93 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      0.011055  0.001344  0.004996        0.00000                         
SCALE2      0.000000  0.010651  0.002205        0.00000                         
SCALE3      0.000000  0.000000  0.011674        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system