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Database: PDB
Entry: 4BNG
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HEADER    OXIDOREDUCTASE                          15-MAY-13   4BNG              
TITLE     CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 5-PENTYL-
TITLE    2 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   3   09-AUG-17 4BNG    1       REMARK                                   
REVDAT   2   03-JUL-13 4BNG    1       JRNL                                     
REVDAT   1   05-JUN-13 4BNG    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.    2.20 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0109                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 46.01                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 126027                         
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) : 0.158                           
REMARK   3   R VALUE            (WORKING SET) : 0.155                           
REMARK   3   FREE R VALUE                     : 0.208                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 6647                            
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) : 2.20                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.26                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 9129                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 91.63                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2320                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 483                          
REMARK   3   BIN FREE R VALUE                    : 0.2780                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 15654                                   
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 586                                     
REMARK   3   SOLVENT ATOMS            : 1051                                    
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 36.61                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 3.06000                                              
REMARK   3    B22 (A**2) : -0.39000                                             
REMARK   3    B33 (A**2) : -1.53000                                             
REMARK   3    B12 (A**2) : 1.80000                                              
REMARK   3    B13 (A**2) : 0.09000                                              
REMARK   3    B23 (A**2) : -0.67000                                             
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.197         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.177         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.129         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.750        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.969                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.943                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A): 16613 ; 0.012 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 22483 ; 1.782 ; 2.008       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  2059 ; 7.013 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   737 ;39.629 ;25.088       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  2881 ;16.741 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    89 ;16.493 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  2527 ; 0.099 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 12361 ; 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): 10131 ; 1.428 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 16216 ; 2.213 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  6482 ; 4.100 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  6259 ; 5.802 ; 4.500       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 56                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     3        A    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  33.7715 -19.3981  -7.6229              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1559 T22:   0.1065                                     
REMARK   3      T33:   0.0587 T12:  -0.0657                                     
REMARK   3      T13:   0.0254 T23:   0.0209                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0884 L22:   3.5381                                     
REMARK   3      L33:   2.0358 L12:  -1.6471                                     
REMARK   3      L13:   0.4400 L23:   0.2405                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0705 S12:  -0.0955 S13:   0.3426                       
REMARK   3      S21:  -0.1430 S22:  -0.0193 S23:  -0.2614                       
REMARK   3      S31:  -0.2529 S32:   0.2863 S33:  -0.0512                       
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):  33.1284 -16.3134 -15.8259              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1653 T22:   0.1136                                     
REMARK   3      T33:   0.1165 T12:  -0.0936                                     
REMARK   3      T13:   0.0243 T23:   0.0679                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.7497 L22:   2.3635                                     
REMARK   3      L33:   3.0724 L12:  -0.1941                                     
REMARK   3      L13:   1.7777 L23:   0.1419                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1113 S12:   0.2179 S13:   0.1188                       
REMARK   3      S21:  -0.1798 S22:   0.0783 S23:  -0.0809                       
REMARK   3      S31:  -0.4400 S32:   0.3431 S33:   0.0329                       
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):  28.8633 -30.1184 -16.6521              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1448 T22:   0.1215                                     
REMARK   3      T33:   0.0709 T12:  -0.0098                                     
REMARK   3      T13:  -0.0035 T23:   0.0244                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3104 L22:   1.1973                                     
REMARK   3      L33:   1.2610 L12:   0.1208                                     
REMARK   3      L13:  -0.8779 L23:   0.0251                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0487 S12:   0.1246 S13:  -0.0040                       
REMARK   3      S21:  -0.2151 S22:   0.0418 S23:  -0.1036                       
REMARK   3      S31:  -0.0727 S32:   0.0773 S33:   0.0070                       
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):  22.6144 -36.1824  -8.7084              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1605 T22:   0.1023                                     
REMARK   3      T33:   0.0963 T12:   0.0306                                     
REMARK   3      T13:  -0.0046 T23:   0.0152                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1207 L22:   0.6470                                     
REMARK   3      L33:   0.7031 L12:   0.4141                                     
REMARK   3      L13:  -0.0459 L23:  -0.0348                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0088 S12:   0.0363 S13:  -0.0214                       
REMARK   3      S21:  -0.0949 S22:   0.0167 S23:  -0.0182                       
REMARK   3      S31:  -0.0674 S32:   0.0972 S33:  -0.0079                       
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):  25.9795 -36.0745  -2.5643              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1330 T22:   0.1787                                     
REMARK   3      T33:   0.1092 T12:  -0.0094                                     
REMARK   3      T13:   0.0090 T23:   0.0034                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7188 L22:   1.3232                                     
REMARK   3      L33:   0.9692 L12:   0.2924                                     
REMARK   3      L13:   0.7761 L23:  -0.0561                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0399 S12:  -0.0474 S13:  -0.0069                       
REMARK   3      S21:  -0.0046 S22:   0.0488 S23:  -0.0261                       
REMARK   3      S31:  -0.0561 S32:  -0.0208 S33:  -0.0089                       
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):  12.5438 -19.8596   1.1466              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2605 T22:   0.2489                                     
REMARK   3      T33:   0.3540 T12:   0.0189                                     
REMARK   3      T13:  -0.0594 T23:  -0.0216                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4367 L22:   2.2234                                     
REMARK   3      L33:   9.3378 L12:  -0.0289                                     
REMARK   3      L13:   0.7067 L23:   4.4656                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0712 S12:  -0.0344 S13:   0.5175                       
REMARK   3      S21:  -0.2505 S22:  -0.3775 S23:   0.1211                       
REMARK   3      S31:  -0.3803 S32:  -1.0050 S33:   0.3063                       
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):  27.8240 -25.6300   6.3772              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0939 T22:   0.1239                                     
REMARK   3      T33:   0.1194 T12:  -0.0250                                     
REMARK   3      T13:  -0.0288 T23:  -0.0153                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2392 L22:   1.0717                                     
REMARK   3      L33:   1.6700 L12:  -0.3804                                     
REMARK   3      L13:  -0.1872 L23:  -0.0282                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0054 S12:  -0.0184 S13:   0.0507                       
REMARK   3      S21:   0.0418 S22:  -0.0160 S23:  -0.0870                       
REMARK   3      S31:  -0.2649 S32:   0.1481 S33:   0.0214                       
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):   3.7773 -63.5600  -0.1953              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1858 T22:   0.0280                                     
REMARK   3      T33:   0.1282 T12:  -0.0460                                     
REMARK   3      T13:   0.0400 T23:  -0.0224                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4457 L22:   1.6794                                     
REMARK   3      L33:   2.9344 L12:  -1.4028                                     
REMARK   3      L13:  -0.8360 L23:   0.8568                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0686 S12:  -0.1059 S13:  -0.2681                       
REMARK   3      S21:  -0.0372 S22:  -0.0225 S23:   0.0880                       
REMARK   3      S31:   0.4214 S32:  -0.0913 S33:   0.0911                       
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):   1.8357 -67.5437  -7.8119              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2017 T22:   0.0466                                     
REMARK   3      T33:   0.1641 T12:  -0.0654                                     
REMARK   3      T13:  -0.0030 T23:  -0.0262                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.1983 L22:   1.6938                                     
REMARK   3      L33:   4.3245 L12:   0.7286                                     
REMARK   3      L13:  -1.9476 L23:   0.7865                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1780 S12:   0.1793 S13:  -0.1138                       
REMARK   3      S21:   0.1150 S22:   0.1125 S23:   0.1423                       
REMARK   3      S31:   0.6300 S32:  -0.2030 S33:   0.0655                       
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):   5.4914 -54.3179 -11.6870              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2230 T22:   0.1506                                     
REMARK   3      T33:   0.1749 T12:  -0.0216                                     
REMARK   3      T13:  -0.0116 T23:  -0.0254                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8361 L22:   1.1163                                     
REMARK   3      L33:   0.8965 L12:  -0.0345                                     
REMARK   3      L13:  -0.0085 L23:   0.6867                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0856 S12:   0.2014 S13:  -0.1296                       
REMARK   3      S21:  -0.0768 S22:  -0.0388 S23:   0.1401                       
REMARK   3      S31:   0.2219 S32:  -0.1200 S33:   0.1244                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   105        B   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4683 -47.4440  -6.6657              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1197 T22:   0.0928                                     
REMARK   3      T33:   0.1141 T12:  -0.0003                                     
REMARK   3      T13:  -0.0096 T23:  -0.0021                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3375 L22:   0.5813                                     
REMARK   3      L33:   1.0444 L12:   0.2450                                     
REMARK   3      L13:  -0.6676 L23:   0.1880                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0346 S12:   0.0731 S13:  -0.0037                       
REMARK   3      S21:  -0.0628 S22:   0.0210 S23:   0.0112                       
REMARK   3      S31:   0.0247 S32:  -0.0293 S33:   0.0136                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   155        B   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.3312 -46.6574   0.2560              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1631 T22:   0.1502                                     
REMARK   3      T33:   0.1160 T12:   0.0325                                     
REMARK   3      T13:  -0.0123 T23:   0.0064                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1705 L22:   2.0252                                     
REMARK   3      L33:   0.8141 L12:  -0.2729                                     
REMARK   3      L13:  -0.3569 L23:   0.3486                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0174 S12:   0.0248 S13:  -0.0171                       
REMARK   3      S21:   0.0051 S22:   0.0036 S23:   0.0904                       
REMARK   3      S31:   0.1175 S32:  -0.0571 S33:   0.0138                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   194        B   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.7644 -62.7833   1.3092              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5108 T22:   0.5352                                     
REMARK   3      T33:   0.4240 T12:   0.2136                                     
REMARK   3      T13:   0.0291 T23:  -0.0575                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.6807 L22:   0.3105                                     
REMARK   3      L33:   7.3884 L12:   0.1108                                     
REMARK   3      L13:  -2.0928 L23:  -1.4423                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2880 S12:   0.3017 S13:  -0.3354                       
REMARK   3      S21:  -0.1623 S22:  -0.3418 S23:   0.0212                       
REMARK   3      S31:   0.6282 S32:   1.6012 S33:   0.0538                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   215        B   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.7930 -56.0160  10.3210              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1805 T22:   0.0622                                     
REMARK   3      T33:   0.1102 T12:  -0.0058                                     
REMARK   3      T13:   0.0296 T23:   0.0125                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8432 L22:   0.7706                                     
REMARK   3      L33:   1.7466 L12:   0.0540                                     
REMARK   3      L13:   0.2824 L23:   0.4087                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0389 S12:   0.0306 S13:  -0.0110                       
REMARK   3      S21:   0.0685 S22:  -0.0279 S23:  -0.0366                       
REMARK   3      S31:   0.2482 S32:   0.0246 S33:  -0.0110                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C     3        C    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.8976 -53.9268  28.9671              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2538 T22:   0.2724                                     
REMARK   3      T33:   0.1991 T12:  -0.1019                                     
REMARK   3      T13:   0.0689 T23:   0.0411                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6808 L22:   3.2619                                     
REMARK   3      L33:   3.0426 L12:  -0.2431                                     
REMARK   3      L13:  -0.6347 L23:   2.9628                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0507 S12:  -0.2651 S13:  -0.0909                       
REMARK   3      S21:   0.1103 S22:  -0.1070 S23:   0.1703                       
REMARK   3      S31:   0.2830 S32:  -0.3105 S33:   0.1577                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    30        C    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.2655 -53.9018  37.4542              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2043 T22:   0.2074                                     
REMARK   3      T33:   0.0607 T12:  -0.0895                                     
REMARK   3      T13:   0.0493 T23:   0.0500                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4092 L22:   5.3281                                     
REMARK   3      L33:   3.6448 L12:   0.7754                                     
REMARK   3      L13:   0.0391 L23:   3.5195                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0614 S12:  -0.2456 S13:  -0.1695                       
REMARK   3      S21:   0.3055 S22:  -0.1432 S23:   0.2949                       
REMARK   3      S31:   0.4545 S32:  -0.4483 S33:   0.2046                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    62        C   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.6487 -50.0402  37.4590              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2181 T22:   0.1913                                     
REMARK   3      T33:   0.0324 T12:  -0.0125                                     
REMARK   3      T13:   0.0541 T23:   0.0448                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4111 L22:   2.0427                                     
REMARK   3      L33:   0.5059 L12:   0.0824                                     
REMARK   3      L13:   0.2032 L23:   0.0582                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0408 S12:  -0.2573 S13:  -0.0983                       
REMARK   3      S21:   0.1702 S22:  -0.1283 S23:  -0.0258                       
REMARK   3      S31:   0.2178 S32:   0.0241 S33:   0.0876                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   105        C   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.3055 -43.9646  29.4826              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1217 T22:   0.1588                                     
REMARK   3      T33:   0.0734 T12:   0.0082                                     
REMARK   3      T13:   0.0234 T23:   0.0195                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7019 L22:   1.1514                                     
REMARK   3      L33:   1.2028 L12:   0.3636                                     
REMARK   3      L13:   0.1406 L23:   0.4412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0052 S12:  -0.1843 S13:  -0.0555                       
REMARK   3      S21:   0.0950 S22:  -0.0079 S23:  -0.0572                       
REMARK   3      S31:   0.1619 S32:   0.0778 S33:   0.0131                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   155        C   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.2974 -46.5902  23.0457              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2008 T22:   0.1480                                     
REMARK   3      T33:   0.0779 T12:   0.0335                                     
REMARK   3      T13:   0.0209 T23:   0.0400                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5134 L22:   0.5389                                     
REMARK   3      L33:   1.3532 L12:  -0.5065                                     
REMARK   3      L13:   0.0692 L23:   0.6731                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1025 S12:  -0.1176 S13:  -0.0568                       
REMARK   3      S21:   0.1754 S22:   0.0933 S23:   0.0321                       
REMARK   3      S31:   0.1889 S32:   0.0895 S33:   0.0092                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   194        C   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):   1.7146 -31.8729  22.1320              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1344 T22:   0.1573                                     
REMARK   3      T33:   0.2334 T12:   0.0836                                     
REMARK   3      T13:   0.0209 T23:  -0.0820                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7906 L22:   1.9629                                     
REMARK   3      L33:  11.0812 L12:   0.0758                                     
REMARK   3      L13:   4.3007 L23:  -1.0214                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1934 S12:  -0.1982 S13:   0.1874                       
REMARK   3      S21:   0.1281 S22:  -0.0583 S23:   0.2916                       
REMARK   3      S31:  -0.5827 S32:  -0.4221 S33:   0.2517                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   215        C   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.8266 -47.0550  15.2868              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1822 T22:   0.1429                                     
REMARK   3      T33:   0.1019 T12:   0.0149                                     
REMARK   3      T13:   0.0396 T23:  -0.0020                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8167 L22:   0.0107                                     
REMARK   3      L33:   1.2394 L12:   0.0290                                     
REMARK   3      L13:   0.5164 L23:   0.0879                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0362 S12:  -0.0740 S13:  -0.0508                       
REMARK   3      S21:   0.0319 S22:  -0.0005 S23:   0.0025                       
REMARK   3      S31:   0.0788 S32:  -0.1468 S33:   0.0367                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D     3        D    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  45.9174 -25.9335  20.1213              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0721 T22:   0.2927                                     
REMARK   3      T33:   0.1723 T12:  -0.0702                                     
REMARK   3      T13:  -0.0533 T23:  -0.0467                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2676 L22:   3.1378                                     
REMARK   3      L33:   1.9760 L12:  -1.4384                                     
REMARK   3      L13:   0.4542 L23:  -1.4324                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0778 S12:   0.0975 S13:   0.0398                       
REMARK   3      S21:  -0.0102 S22:   0.0100 S23:  -0.1586                       
REMARK   3      S31:  -0.1852 S32:   0.5107 S33:  -0.0878                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    30        D    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  50.5825 -24.7844  27.6579              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1061 T22:   0.4004                                     
REMARK   3      T33:   0.2543 T12:  -0.0875                                     
REMARK   3      T13:  -0.0965 T23:  -0.0931                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9525 L22:   0.9792                                     
REMARK   3      L33:   7.6813 L12:  -1.0548                                     
REMARK   3      L13:  -0.9429 L23:   0.3025                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2393 S12:  -0.2275 S13:   0.0362                       
REMARK   3      S21:   0.1870 S22:   0.2055 S23:  -0.2787                       
REMARK   3      S31:  -0.1466 S32:   0.7256 S33:   0.0338                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    62        D   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  37.6097 -28.5431  32.3118              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0779 T22:   0.2318                                     
REMARK   3      T33:   0.0829 T12:  -0.0071                                     
REMARK   3      T13:  -0.0684 T23:  -0.0475                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0871 L22:   2.4996                                     
REMARK   3      L33:   1.0431 L12:   0.5467                                     
REMARK   3      L13:  -0.0407 L23:  -0.2526                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0232 S12:  -0.2673 S13:   0.0853                       
REMARK   3      S21:   0.2669 S22:   0.0026 S23:  -0.1343                       
REMARK   3      S31:  -0.0297 S32:   0.3275 S33:  -0.0258                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   105        D   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  29.8358 -35.2754  27.1536              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0475 T22:   0.2031                                     
REMARK   3      T33:   0.1050 T12:   0.0081                                     
REMARK   3      T13:  -0.0352 T23:  -0.0090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4655 L22:   1.5201                                     
REMARK   3      L33:   1.4088 L12:   0.5755                                     
REMARK   3      L13:  -0.0472 L23:  -0.0578                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0227 S12:  -0.1796 S13:  -0.0131                       
REMARK   3      S21:   0.0776 S22:  -0.0132 S23:  -0.0459                       
REMARK   3      S31:  -0.0470 S32:   0.1212 S33:  -0.0095                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   155        D   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  28.6339 -33.6020  20.5325              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0767 T22:   0.1696                                     
REMARK   3      T33:   0.1034 T12:  -0.0072                                     
REMARK   3      T13:  -0.0191 T23:  -0.0075                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1080 L22:   1.0448                                     
REMARK   3      L33:   1.4339 L12:  -0.3266                                     
REMARK   3      L13:  -0.0084 L23:   0.0047                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0403 S12:  -0.1572 S13:   0.0720                       
REMARK   3      S21:   0.0636 S22:   0.0772 S23:  -0.1266                       
REMARK   3      S31:   0.0685 S32:   0.0749 S33:  -0.0369                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 27                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   194        D   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  43.4353 -48.6119  16.7514              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5208 T22:   0.4103                                     
REMARK   3      T33:   0.3654 T12:   0.3437                                     
REMARK   3      T13:  -0.0980 T23:  -0.0185                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.0141 L22:   2.2173                                     
REMARK   3      L33:   7.1060 L12:   1.1112                                     
REMARK   3      L13:   2.0634 L23:  -2.1595                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2629 S12:   0.0925 S13:  -0.3775                       
REMARK   3      S21:   0.0854 S22:  -0.0816 S23:  -0.2663                       
REMARK   3      S31:   1.1190 S32:   1.0156 S33:  -0.1814                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 28                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   215        D   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  36.9583 -34.2614   9.6502              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0712 T22:   0.1842                                     
REMARK   3      T33:   0.1111 T12:   0.0023                                     
REMARK   3      T13:  -0.0026 T23:   0.0033                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2134 L22:   2.0295                                     
REMARK   3      L33:   0.7398 L12:  -0.7777                                     
REMARK   3      L13:   0.2460 L23:   0.0188                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0669 S12:  -0.0697 S13:  -0.0619                       
REMARK   3      S21:   0.1157 S22:   0.0927 S23:  -0.0767                       
REMARK   3      S31:  -0.0342 S32:   0.2632 S33:  -0.0258                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 29                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E     3        E    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.4401-115.3936 -24.7368              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0989 T22:   0.0994                                     
REMARK   3      T33:   0.2503 T12:  -0.0378                                     
REMARK   3      T13:   0.0464 T23:   0.0481                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3390 L22:   0.8217                                     
REMARK   3      L33:   3.5849 L12:  -0.0524                                     
REMARK   3      L13:   0.4670 L23:   0.1227                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1673 S12:  -0.0320 S13:  -0.3700                       
REMARK   3      S21:   0.1983 S22:   0.0842 S23:   0.2290                       
REMARK   3      S31:  -0.0064 S32:  -0.1597 S33:   0.0832                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 30                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E    30        E    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.9744-123.0410 -22.6513              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0955 T22:   0.0222                                     
REMARK   3      T33:   0.2143 T12:  -0.0253                                     
REMARK   3      T13:   0.0249 T23:   0.0418                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8418 L22:   2.2458                                     
REMARK   3      L33:   3.9518 L12:  -0.6629                                     
REMARK   3      L13:   1.4683 L23:  -0.4668                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0190 S12:  -0.1550 S13:  -0.5280                       
REMARK   3      S21:   0.0259 S22:  -0.0160 S23:   0.3059                       
REMARK   3      S31:   0.3418 S32:  -0.0535 S33:   0.0350                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 31                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E    62        E   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  36.6629-116.6029 -31.1374              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1044 T22:   0.0926                                     
REMARK   3      T33:   0.1666 T12:  -0.0097                                     
REMARK   3      T13:  -0.0003 T23:  -0.0075                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5824 L22:   1.6184                                     
REMARK   3      L33:   0.9358 L12:   0.5267                                     
REMARK   3      L13:  -0.0572 L23:   0.0669                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0488 S12:   0.0199 S13:  -0.1893                       
REMARK   3      S21:  -0.1154 S22:   0.0341 S23:  -0.0124                       
REMARK   3      S31:   0.1625 S32:   0.0689 S33:   0.0147                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 32                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   105        E   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.9887-105.1471 -32.0368              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1219 T22:   0.1108                                     
REMARK   3      T33:   0.1177 T12:  -0.0123                                     
REMARK   3      T13:  -0.0063 T23:   0.0262                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5447 L22:   0.7917                                     
REMARK   3      L33:   0.5035 L12:   0.2517                                     
REMARK   3      L13:   0.1389 L23:   0.2199                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0072 S12:   0.0278 S13:  -0.1023                       
REMARK   3      S21:  -0.0183 S22:  -0.0302 S23:   0.0435                       
REMARK   3      S31:   0.0656 S32:   0.0032 S33:   0.0374                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 33                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   155        E   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  33.3051-101.5473 -33.0255              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1415 T22:   0.1143                                     
REMARK   3      T33:   0.1516 T12:  -0.0037                                     
REMARK   3      T13:  -0.0031 T23:   0.0139                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3399 L22:   0.3902                                     
REMARK   3      L33:   1.2425 L12:  -0.3749                                     
REMARK   3      L13:  -0.2341 L23:  -0.5163                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0395 S12:   0.0243 S13:  -0.0226                       
REMARK   3      S21:  -0.0365 S22:  -0.0101 S23:   0.0039                       
REMARK   3      S31:   0.0391 S32:  -0.0362 S33:  -0.0293                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 34                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   194        E   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  33.9795 -99.0703 -11.8174              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1172 T22:   0.2398                                     
REMARK   3      T33:   0.0325 T12:   0.0041                                     
REMARK   3      T13:  -0.0348 T23:   0.0295                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.6846 L22:   7.4833                                     
REMARK   3      L33:   4.6252 L12:  -3.4245                                     
REMARK   3      L13:  -1.0596 L23:   2.9720                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2465 S12:  -0.8017 S13:   0.0943                       
REMARK   3      S21:   0.8137 S22:   0.3605 S23:  -0.3517                       
REMARK   3      S31:   0.3215 S32:   0.2293 S33:  -0.1141                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 35                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   215        E   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  22.7052 -99.1276 -24.6921              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0425 T22:   0.1439                                     
REMARK   3      T33:   0.1484 T12:  -0.0316                                     
REMARK   3      T13:   0.0118 T23:   0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4701 L22:   1.0112                                     
REMARK   3      L33:   0.2932 L12:  -0.2345                                     
REMARK   3      L13:   0.2487 L23:  -0.1233                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0368 S12:   0.0034 S13:  -0.1169                       
REMARK   3      S21:   0.0690 S22:   0.0879 S23:   0.0470                       
REMARK   3      S31:  -0.0034 S32:   0.0600 S33:  -0.0511                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 36                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F     3        F    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  59.4324 -79.4217 -42.6434              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0865 T22:   0.1434                                     
REMARK   3      T33:   0.2001 T12:  -0.0470                                     
REMARK   3      T13:   0.0523 T23:   0.0348                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5631 L22:   1.3550                                     
REMARK   3      L33:   1.8798 L12:  -0.7626                                     
REMARK   3      L13:   0.7288 L23:  -0.0514                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0133 S12:   0.0838 S13:   0.3839                       
REMARK   3      S21:  -0.2069 S22:  -0.0843 S23:  -0.1922                       
REMARK   3      S31:   0.0164 S32:   0.1208 S33:   0.0976                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 37                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F    30        F    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  66.4871 -83.5044 -45.9488              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0834 T22:   0.1929                                     
REMARK   3      T33:   0.1654 T12:  -0.0253                                     
REMARK   3      T13:   0.0927 T23:   0.0507                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1801 L22:   9.6135                                     
REMARK   3      L33:   1.5893 L12:  -0.8289                                     
REMARK   3      L13:   0.1311 L23:   2.3640                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1911 S12:   0.2578 S13:   0.1848                       
REMARK   3      S21:  -0.4666 S22:  -0.1909 S23:  -0.5757                       
REMARK   3      S31:  -0.0502 S32:   0.0819 S33:  -0.0002                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 38                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F    62        F   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  60.8805 -93.1709 -37.5023              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1358 T22:   0.1828                                     
REMARK   3      T33:   0.2420 T12:  -0.0246                                     
REMARK   3      T13:   0.0316 T23:  -0.0055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.7725 L22:   0.1360                                     
REMARK   3      L33:   0.6375 L12:  -0.0278                                     
REMARK   3      L13:  -0.2154 L23:  -0.1127                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0169 S12:   0.0009 S13:  -0.0084                       
REMARK   3      S21:  -0.0650 S22:   0.0352 S23:  -0.1423                       
REMARK   3      S31:   0.0517 S32:   0.0485 S33:  -0.0521                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 39                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   105        F   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  49.3958 -95.2520 -35.7980              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0799 T22:   0.1257                                     
REMARK   3      T33:   0.0948 T12:  -0.0067                                     
REMARK   3      T13:   0.0225 T23:   0.0205                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3951 L22:   1.7537                                     
REMARK   3      L33:   0.9526 L12:   0.6169                                     
REMARK   3      L13:   0.4270 L23:   0.8036                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0114 S12:  -0.0093 S13:  -0.0474                       
REMARK   3      S21:  -0.0466 S22:   0.0314 S23:  -0.1871                       
REMARK   3      S31:   0.0363 S32:   0.0598 S33:  -0.0428                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 40                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   155        F   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  45.9307 -89.5179 -33.9656              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1253 T22:   0.1690                                     
REMARK   3      T33:   0.1484 T12:   0.0081                                     
REMARK   3      T13:  -0.0133 T23:   0.0138                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7906 L22:   1.7726                                     
REMARK   3      L33:   0.5397 L12:  -0.1967                                     
REMARK   3      L13:  -0.6523 L23:   0.1293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0220 S12:  -0.0177 S13:   0.0338                       
REMARK   3      S21:  -0.0435 S22:   0.0051 S23:  -0.0418                       
REMARK   3      S31:  -0.0150 S32:   0.0260 S33:  -0.0271                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 41                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   194        F   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  41.3647 -88.3912 -55.1896              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3078 T22:   0.2188                                     
REMARK   3      T33:   0.0285 T12:  -0.0127                                     
REMARK   3      T13:   0.0131 T23:  -0.0350                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9202 L22:   6.6403                                     
REMARK   3      L33:   2.3123 L12:  -3.9794                                     
REMARK   3      L13:   1.1084 L23:  -0.5195                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3860 S12:   0.6485 S13:  -0.3578                       
REMARK   3      S21:  -0.6765 S22:  -0.2797 S23:   0.2315                       
REMARK   3      S31:   0.1263 S32:  -0.0387 S33:  -0.1062                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 42                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   F   215        F   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  43.1816 -78.0966 -41.4954              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1199 T22:   0.1290                                     
REMARK   3      T33:   0.1527 T12:  -0.0148                                     
REMARK   3      T13:   0.0156 T23:   0.0142                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5013 L22:   0.3031                                     
REMARK   3      L33:   1.5612 L12:  -0.2953                                     
REMARK   3      L13:  -0.1189 L23:   0.2060                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1069 S12:   0.0685 S13:   0.1035                       
REMARK   3      S21:  -0.1372 S22:  -0.0530 S23:  -0.0520                       
REMARK   3      S31:  -0.0586 S32:   0.0799 S33:  -0.0538                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 43                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G     3        G    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  41.2378 -58.4740 -30.7800              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0466 T22:   0.0676                                     
REMARK   3      T33:   0.2256 T12:  -0.0347                                     
REMARK   3      T13:   0.0011 T23:  -0.0105                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1388 L22:   2.6790                                     
REMARK   3      L33:   1.3503 L12:  -0.6461                                     
REMARK   3      L13:   0.6213 L23:   0.7666                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0167 S12:  -0.0295 S13:   0.5021                       
REMARK   3      S21:  -0.1232 S22:  -0.0376 S23:  -0.2398                       
REMARK   3      S31:  -0.1731 S32:   0.1108 S33:   0.0210                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 44                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G    30        G    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.2760 -50.5755 -28.6113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1637 T22:   0.0088                                     
REMARK   3      T33:   0.2937 T12:  -0.0109                                     
REMARK   3      T13:  -0.0163 T23:   0.0127                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3002 L22:   2.1401                                     
REMARK   3      L33:   4.0169 L12:  -0.2964                                     
REMARK   3      L13:  -1.6664 L23:   1.2201                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0633 S12:   0.0175 S13:   0.5796                       
REMARK   3      S21:  -0.0457 S22:   0.1093 S23:  -0.2621                       
REMARK   3      S31:  -0.2778 S32:   0.0462 S33:  -0.1726                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 45                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G    62        G   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.5483 -57.4687 -33.1238              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0893 T22:   0.0653                                     
REMARK   3      T33:   0.2495 T12:   0.0084                                     
REMARK   3      T13:  -0.0205 T23:   0.0199                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2279 L22:   0.4887                                     
REMARK   3      L33:   1.4134 L12:   0.0609                                     
REMARK   3      L13:  -0.7416 L23:   0.2861                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0044 S12:  -0.0223 S13:   0.3657                       
REMARK   3      S21:  -0.1232 S22:   0.0187 S23:   0.0390                       
REMARK   3      S31:  -0.1636 S32:  -0.0488 S33:  -0.0231                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 46                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   105        G   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  24.2088 -68.9215 -32.1835              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1366 T22:   0.0889                                     
REMARK   3      T33:   0.1388 T12:   0.0233                                     
REMARK   3      T13:  -0.0190 T23:  -0.0046                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0989 L22:   1.2555                                     
REMARK   3      L33:   0.6799 L12:   0.4008                                     
REMARK   3      L13:  -0.1996 L23:  -0.5990                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0139 S12:   0.0541 S13:   0.0979                       
REMARK   3      S21:  -0.1237 S22:  -0.0546 S23:   0.0149                       
REMARK   3      S31:  -0.1430 S32:  -0.0665 S33:   0.0407                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 47                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   155        G   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  29.4881 -72.9351 -34.1941              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2441 T22:   0.2029                                     
REMARK   3      T33:   0.2295 T12:   0.0079                                     
REMARK   3      T13:  -0.0086 T23:   0.0234                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6017 L22:   0.5510                                     
REMARK   3      L33:   0.4624 L12:  -0.0050                                     
REMARK   3      L13:   0.2237 L23:   0.4317                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0225 S12:   0.0297 S13:   0.1081                       
REMARK   3      S21:  -0.1504 S22:   0.0125 S23:  -0.0316                       
REMARK   3      S31:  -0.2140 S32:   0.0035 S33:   0.0099                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 48                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   194        G   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  35.1299 -72.7986 -13.3952              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5581 T22:   0.4492                                     
REMARK   3      T33:   0.3432 T12:   0.0630                                     
REMARK   3      T13:   0.0933 T23:  -0.0476                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.7825 L22:   2.6855                                     
REMARK   3      L33:   4.9132 L12:  -3.7327                                     
REMARK   3      L13:  -0.1189 L23:  -2.2319                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5177 S12:  -1.1525 S13:  -0.4866                       
REMARK   3      S21:   0.7191 S22:   0.5125 S23:   0.3215                       
REMARK   3      S31:  -0.4812 S32:   0.0455 S33:   0.0052                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 49                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   G   215        G   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  42.2892 -74.3200 -29.0464              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0895 T22:   0.1411                                     
REMARK   3      T33:   0.1695 T12:  -0.0203                                     
REMARK   3      T13:  -0.0055 T23:  -0.0177                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2254 L22:   0.8411                                     
REMARK   3      L33:   0.2830 L12:  -0.4472                                     
REMARK   3      L13:  -0.4344 L23:   0.4058                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0181 S12:  -0.0343 S13:   0.1191                       
REMARK   3      S21:  -0.0142 S22:   0.0315 S23:  -0.0537                       
REMARK   3      S31:   0.0021 S32:  -0.0540 S33:  -0.0496                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 50                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H     3        H    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.1045 -95.3792 -33.0711              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0329 T22:   0.2370                                     
REMARK   3      T33:   0.3069 T12:  -0.0777                                     
REMARK   3      T13:  -0.0307 T23:  -0.0434                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0984 L22:   4.7194                                     
REMARK   3      L33:   3.2888 L12:  -0.7844                                     
REMARK   3      L13:  -0.4537 L23:  -0.4223                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0046 S12:   0.2085 S13:  -0.3374                       
REMARK   3      S21:  -0.0124 S22:  -0.1687 S23:   0.2991                       
REMARK   3      S31:   0.0851 S32:  -0.3276 S33:   0.1733                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 51                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H    30        H    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.7209 -91.6299 -34.3140              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0374 T22:   0.2733                                     
REMARK   3      T33:   0.3166 T12:  -0.0865                                     
REMARK   3      T13:  -0.0119 T23:  -0.0356                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2140 L22:   5.6747                                     
REMARK   3      L33:   0.7840 L12:  -0.4925                                     
REMARK   3      L13:   0.6354 L23:   1.9335                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0007 S12:   0.1260 S13:  -0.1901                       
REMARK   3      S21:  -0.1789 S22:  -0.1785 S23:   0.6181                       
REMARK   3      S31:  -0.0605 S32:  -0.0487 S33:   0.1778                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 52                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H    62        H   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.4859 -80.7575 -29.8842              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0410 T22:   0.2088                                     
REMARK   3      T33:   0.2443 T12:  -0.0291                                     
REMARK   3      T13:  -0.0463 T23:  -0.0787                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8480 L22:   2.0182                                     
REMARK   3      L33:   1.1872 L12:   1.1561                                     
REMARK   3      L13:  -0.7654 L23:  -1.2896                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0444 S12:   0.0529 S13:   0.1416                       
REMARK   3      S21:  -0.1809 S22:   0.0211 S23:   0.3936                       
REMARK   3      S31:   0.1428 S32:  -0.2656 S33:  -0.0656                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 53                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   105        H   154                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4622 -79.0929 -31.3858              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0387 T22:   0.1648                                     
REMARK   3      T33:   0.1639 T12:  -0.0050                                     
REMARK   3      T13:  -0.0587 T23:  -0.0375                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6008 L22:   1.8048                                     
REMARK   3      L33:   0.2496 L12:   0.2564                                     
REMARK   3      L13:  -0.5711 L23:  -0.3225                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0521 S12:  -0.0221 S13:   0.1089                       
REMARK   3      S21:  -0.0799 S22:  -0.0368 S23:   0.1816                       
REMARK   3      S31:  -0.0211 S32:   0.0137 S33:  -0.0154                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 54                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   155        H   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4456 -84.6110 -30.2441              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0287 T22:   0.1439                                     
REMARK   3      T33:   0.1684 T12:  -0.0148                                     
REMARK   3      T13:  -0.0218 T23:  -0.0108                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7945 L22:   0.9160                                     
REMARK   3      L33:   1.9880 L12:  -0.0711                                     
REMARK   3      L13:   0.5536 L23:   0.5794                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0023 S12:   0.0686 S13:   0.0199                       
REMARK   3      S21:   0.0196 S22:  -0.0061 S23:   0.0617                       
REMARK   3      S31:  -0.0587 S32:  -0.2160 S33:   0.0038                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 55                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   194        H   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.1389 -88.0462 -51.2201              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5773 T22:   0.6684                                     
REMARK   3      T33:   0.3064 T12:   0.1446                                     
REMARK   3      T13:  -0.0038 T23:   0.0894                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9496 L22:   7.7822                                     
REMARK   3      L33:   3.3465 L12:  -0.8239                                     
REMARK   3      L13:  -1.2551 L23:  -0.3531                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4274 S12:   0.6586 S13:   0.2021                       
REMARK   3      S21:  -1.1993 S22:  -0.3218 S23:  -0.3344                       
REMARK   3      S31:  -0.0979 S32:  -0.6809 S33:  -0.1056                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 56                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   H   215        H   256                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.8677 -96.8849 -36.3281              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1112 T22:   0.1794                                     
REMARK   3      T33:   0.1908 T12:  -0.0068                                     
REMARK   3      T13:  -0.0440 T23:  -0.0318                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4847 L22:   1.3368                                     
REMARK   3      L33:   0.6562 L12:   0.4050                                     
REMARK   3      L13:   0.4023 L23:  -0.1379                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0409 S12:  -0.0068 S13:  -0.0837                       
REMARK   3      S21:  -0.0535 S22:  -0.0232 S23:   0.0725                       
REMARK   3      S31:   0.0294 S32:  -0.0463 S33:  -0.0177                       
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 RIDING   
REMARK   3  POSITIONS.                                                          
REMARK   4                                                                      
REMARK   4 4BNG 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 DEPOSITION ID IS D_1290056181.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 22-MAY-12                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID14-1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9334                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 132692                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 46.180                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 6.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.5                               
REMARK 200  DATA REDUNDANCY                : 1.800                              
REMARK 200  R MERGE                    (I) : 0.06000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.32                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 92.3                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.70                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.28000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.200                              
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   (%): 58.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M NA/K-PHOSPHATE PH 6.5, 47% MPD     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 22090 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32670 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -88.8 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: 22200 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32550 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -83.1 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     VAL C     2                                                      
REMARK 465     MET D   -25                                                      
REMARK 465     LYS D   -24                                                      
REMARK 465     HIS D   -23                                                      
REMARK 465     HIS D   -22                                                      
REMARK 465     HIS D   -21                                                      
REMARK 465     HIS D   -20                                                      
REMARK 465     HIS D   -19                                                      
REMARK 465     HIS D   -18                                                      
REMARK 465     PRO D   -17                                                      
REMARK 465     MET D   -16                                                      
REMARK 465     SER D   -15                                                      
REMARK 465     ASP D   -14                                                      
REMARK 465     TYR D   -13                                                      
REMARK 465     ASP D   -12                                                      
REMARK 465     ILE D   -11                                                      
REMARK 465     PRO D   -10                                                      
REMARK 465     THR D    -9                                                      
REMARK 465     THR D    -8                                                      
REMARK 465     GLU D    -7                                                      
REMARK 465     ASN D    -6                                                      
REMARK 465     LEU D    -5                                                      
REMARK 465     TYR D    -4                                                      
REMARK 465     PHE D    -3                                                      
REMARK 465     GLN D    -2                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     ALA D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     VAL D     2                                                      
REMARK 465     MET E   -25                                                      
REMARK 465     LYS E   -24                                                      
REMARK 465     HIS E   -23                                                      
REMARK 465     HIS E   -22                                                      
REMARK 465     HIS E   -21                                                      
REMARK 465     HIS E   -20                                                      
REMARK 465     HIS E   -19                                                      
REMARK 465     HIS E   -18                                                      
REMARK 465     PRO E   -17                                                      
REMARK 465     MET E   -16                                                      
REMARK 465     SER E   -15                                                      
REMARK 465     ASP E   -14                                                      
REMARK 465     TYR E   -13                                                      
REMARK 465     ASP E   -12                                                      
REMARK 465     ILE E   -11                                                      
REMARK 465     PRO E   -10                                                      
REMARK 465     THR E    -9                                                      
REMARK 465     THR E    -8                                                      
REMARK 465     GLU E    -7                                                      
REMARK 465     ASN E    -6                                                      
REMARK 465     LEU E    -5                                                      
REMARK 465     TYR E    -4                                                      
REMARK 465     PHE E    -3                                                      
REMARK 465     GLN E    -2                                                      
REMARK 465     GLY E    -1                                                      
REMARK 465     ALA E     0                                                      
REMARK 465     MET E     1                                                      
REMARK 465     VAL E     2                                                      
REMARK 465     MET F   -25                                                      
REMARK 465     LYS F   -24                                                      
REMARK 465     HIS F   -23                                                      
REMARK 465     HIS F   -22                                                      
REMARK 465     HIS F   -21                                                      
REMARK 465     HIS F   -20                                                      
REMARK 465     HIS F   -19                                                      
REMARK 465     HIS F   -18                                                      
REMARK 465     PRO F   -17                                                      
REMARK 465     MET F   -16                                                      
REMARK 465     SER F   -15                                                      
REMARK 465     ASP F   -14                                                      
REMARK 465     TYR F   -13                                                      
REMARK 465     ASP F   -12                                                      
REMARK 465     ILE F   -11                                                      
REMARK 465     PRO F   -10                                                      
REMARK 465     THR F    -9                                                      
REMARK 465     THR F    -8                                                      
REMARK 465     GLU F    -7                                                      
REMARK 465     ASN F    -6                                                      
REMARK 465     LEU F    -5                                                      
REMARK 465     TYR F    -4                                                      
REMARK 465     PHE F    -3                                                      
REMARK 465     GLN F    -2                                                      
REMARK 465     GLY F    -1                                                      
REMARK 465     ALA F     0                                                      
REMARK 465     MET F     1                                                      
REMARK 465     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     VAL G     2                                                      
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   OE1  GLU C   100     O    HOH C  2057              1.93            
REMARK 500   OXT  GLU C  1259     O    HOH C  2060              2.12            
REMARK 500   OE1  GLU C   244     O    HOH C  2119              2.16            
REMARK 500   OE1  GLU A    42     NH2  ARG A    45              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   OE1  GLU C   100     O    HOH F  2038     1566     2.02            
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    LEU F 208   CA  -  CB  -  CG  ANGL. DEV. =  14.0 DEGREES          
REMARK 500    LEU G 208   CA  -  CB  -  CG  ANGL. DEV. =  14.1 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 103      162.02    179.62                                   
REMARK 500    SER A 122      -58.75   -128.82                                   
REMARK 500    ASN A 156      -36.30     74.78                                   
REMARK 500    ASN A 158     -119.71     50.43                                   
REMARK 500    VAL A 248       77.17   -110.69                                   
REMARK 500    ASP A 249       22.49   -149.83                                   
REMARK 500    ASN B   6      -13.33     78.32                                   
REMARK 500    ARG B  40      -63.56    -97.95                                   
REMARK 500    GLU B 100      -36.91    -34.89                                   
REMARK 500    SER B 122      -64.55   -126.40                                   
REMARK 500    LEU B 148      -29.34    -34.30                                   
REMARK 500    ASN B 156      -35.59     79.23                                   
REMARK 500    ASN B 158     -113.05     43.16                                   
REMARK 500    VAL B 248       77.23   -110.43                                   
REMARK 500    ASP B 249       26.31   -148.12                                   
REMARK 500    ARG C  40      -61.89   -106.68                                   
REMARK 500    SER C  93       53.99   -140.86                                   
REMARK 500    SER C 122      -65.07   -125.72                                   
REMARK 500    LEU C 148      -31.98    -39.63                                   
REMARK 500    ASN C 156      -34.05     75.59                                   
REMARK 500    ASN C 158     -119.90     45.32                                   
REMARK 500    ASP C 249       29.10   -155.36                                   
REMARK 500    ARG D  43       14.34    -63.10                                   
REMARK 500    SER D 107       -8.59    -58.99                                   
REMARK 500    SER D 122      -60.75   -127.72                                   
REMARK 500    ASN D 156      -39.37     71.80                                   
REMARK 500    ASN D 158     -111.67     48.48                                   
REMARK 500    ASP D 249       28.16   -157.52                                   
REMARK 500    ASN E  56       32.15    -95.66                                   
REMARK 500    SER E 122      -62.33   -132.28                                   
REMARK 500    ASN E 156      -41.67     76.48                                   
REMARK 500    ASN E 158     -123.09     46.60                                   
REMARK 500    PRO E 216      -47.50    -28.80                                   
REMARK 500    ASP E 249       29.87   -148.54                                   
REMARK 500    ASN F   3       92.64   -160.98                                   
REMARK 500    ASN F   6       -1.67     74.10                                   
REMARK 500    ARG F  40      -63.91    -98.08                                   
REMARK 500    GLU F 100      -34.77    -33.72                                   
REMARK 500    SER F 122      -60.50   -130.46                                   
REMARK 500    ASN F 156      -35.14     71.68                                   
REMARK 500    ASN F 158     -115.09     39.80                                   
REMARK 500    ASP F 249       32.54   -146.57                                   
REMARK 500    SER F 250       18.11     54.83                                   
REMARK 500    SER G 122      -58.95   -130.53                                   
REMARK 500    LEU G 148      -36.12    -32.10                                   
REMARK 500    ASN G 156      -29.47     74.37                                   
REMARK 500    ASN G 158     -113.83     42.09                                   
REMARK 500    ASP G 249       20.77   -156.65                                   
REMARK 500    ARG H  40      -62.07   -101.13                                   
REMARK 500    GLU H  47      -66.90    -28.24                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      57 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 ARG D   43     SER D   44                  147.09                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH B2033        DISTANCE =  5.83 ANGSTROMS                       
REMARK 525    HOH C2002        DISTANCE =  5.98 ANGSTROMS                       
REMARK 525    HOH C2044        DISTANCE =  5.89 ANGSTROMS                       
REMARK 525    HOH F2032        DISTANCE =  6.56 ANGSTROMS                       
REMARK 525    HOH H2098        DISTANCE =  9.24 ANGSTROMS                       
REMARK 525    HOH H2099        DISTANCE =  5.97 ANGSTROMS                       
REMARK 525    HOH H2100        DISTANCE =  6.12 ANGSTROMS                       
REMARK 525    HOH H2101        DISTANCE =  7.18 ANGSTROMS                       
REMARK 525    HOH H2104        DISTANCE =  7.61 ANGSTROMS                       
REMARK 525    HOH H2105        DISTANCE =  7.17 ANGSTROMS                       
REMARK 525    HOH H2106        DISTANCE =  5.98 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP A 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP A 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP B 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP B 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU B 1259                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP C 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP C 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU C 1259                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP D 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP D 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP E 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP E 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU E 1259                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP F 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP F 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU F 1259                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP G 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP G 1258                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU G 1259                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 5PP H 1257                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP H 1258                
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 NADP AND 2-      
REMARK 900 PHENOXY-5-PROPYLPHENOL                                               
REMARK 900 RELATED ID: 4BNH   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 5-      
REMARK 900 HEXYL-2-PHENOXYPHENOL                                                
REMARK 900 RELATED ID: 4BNI   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 2-(2-   
REMARK 900 AMINOPHENOXY)-5-HEXYLPHENOL                                          
REMARK 900 RELATED ID: 4BNJ   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 5-      
REMARK 900 METHYL-2-PHENOXYPHENOL                                               
REMARK 900 RELATED ID: 4BNK   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 5-      
REMARK 900 FLUORO-2-PHENOXYPHENOL                                               
REMARK 900 RELATED ID: 4BNL   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 2-      
REMARK 900 PHENOXY-5-(2-PROPENYL)PHENOL                                         
REMARK 900 RELATED ID: 4BNM   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 5-      
REMARK 900 HEXYL-2-(2-METHYLPHENOXY)PHENOL                                      
REMARK 900 RELATED ID: 4BNN   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP AND 2-(2-   
REMARK 900 CYANOPHENOXY)-5-HEXYLPHENOL                                          
DBREF  4BNG A    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG B    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG C    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG D    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG E    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG F    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG G    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4BNG H    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
SEQADV 4BNG MET A  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS A  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS A  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS A  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS A  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS A  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS A  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS A  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO A  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET A  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER A  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP A  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR A  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP A  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE A  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO A  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR A   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR A   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU A   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN A   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU A   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR A   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE A   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN A   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY A   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA A    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL A    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET B  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS B  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS B  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS B  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS B  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS B  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS B  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS B  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO B  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET B  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER B  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP B  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR B  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP B  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE B  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO B  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR B   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR B   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU B   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN B   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU B   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR B   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE B   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN B   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY B   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA B    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL B    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET C  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS C  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS C  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS C  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS C  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS C  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS C  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS C  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO C  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET C  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER C  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP C  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR C  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP C  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE C  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO C  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR C   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR C   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU C   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN C   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU C   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR C   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE C   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN C   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY C   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA C    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL C    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET D  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS D  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS D  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS D  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS D  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS D  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS D  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS D  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO D  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET D  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER D  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP D  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR D  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP D  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE D  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO D  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR D   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR D   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU D   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN D   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU D   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR D   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE D   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN D   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY D   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA D    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL D    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET E  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS E  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS E  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS E  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS E  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS E  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS E  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS E  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO E  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET E  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER E  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP E  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR E  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP E  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE E  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO E  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR E   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR E   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU E   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN E   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU E   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR E   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE E   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN E   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY E   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA E    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL E    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET F  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS F  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS F  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS F  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS F  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS F  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS F  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS F  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO F  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET F  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER F  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP F  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR F  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP F  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE F  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO F  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR F   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR F   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU F   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN F   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU F   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR F   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE F   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN F   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY F   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA F    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL F    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET G  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS G  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS G  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS G  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS G  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS G  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS G  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS G  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO G  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET G  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER G  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP G  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR G  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP G  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE G  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO G  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR G   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR G   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU G   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN G   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU G   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR G   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE G   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN G   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY G   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA G    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG VAL G    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4BNG MET H  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LYS H  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS H  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS H  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS H  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS H  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS H  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG HIS H  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO H  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG MET H  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG SER H  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP H  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR H  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASP H  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ILE H  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PRO H  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR H   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG THR H   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLU H   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ASN H   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG LEU H   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG TYR H   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG PHE H   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLN H   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG GLY H   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG ALA H    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4BNG 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    5PP  A1257      19                                                       
HET    NAP  A1258      48                                                       
HET    5PP  B1257      19                                                       
HET    NAP  B1258      48                                                       
HET    GLU  B1259      10                                                       
HET    5PP  C1257      19                                                       
HET    NAP  C1258      48                                                       
HET    GLU  C1259      10                                                       
HET    5PP  D1257      19                                                       
HET    NAP  D1258      48                                                       
HET    5PP  E1257      19                                                       
HET    NAP  E1258      48                                                       
HET    GLU  E1259      10                                                       
HET    5PP  F1257      19                                                       
HET    NAP  F1258      48                                                       
HET    GLU  F1259      10                                                       
HET    5PP  G1257      19                                                       
HET    NAP  G1258      48                                                       
HET    GLU  G1259      10                                                       
HET    5PP  H1257      19                                                       
HET    NAP  H1258      48                                                       
HETNAM     5PP 5-PENTYL-2-PHENOXYPHENOL                                         
HETNAM     NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE                 
HETNAM     GLU GLUTAMIC ACID                                                    
HETSYN     NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE                       
FORMUL   9  5PP    8(C17 H20 O2)                                                
FORMUL  10  NAP    8(C21 H28 N7 O17 P3)                                         
FORMUL  13  GLU    5(C5 H9 N O4)                                                
FORMUL  30  HOH   *1051(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  134  1                                  13    
HELIX    9   9 TYR A  147  GLU A  151  5                                   5    
HELIX   10  10 ASN A  158  GLY A  179  1                                  22    
HELIX   11  11 LEU A  196  VAL A  201  5                                   6    
HELIX   12  12 GLY A  203  ALA A  215  1                                  13    
HELIX   13  13 ASP A  222  LEU A  234  1                                  13    
HELIX   14  14 SER A  235  SER A  239  5                                   5    
HELIX   15  15 GLY A  251  ALA A  254  5                                   4    
HELIX   16  16 SER B   19  LEU B   31  1                                  13    
HELIX   17  17 LYS B   41  LEU B   52  1                                  12    
HELIX   18  18 GLU B   53  LEU B   55  5                                   3    
HELIX   19  19 SER B   69  GLY B   85  1                                  17    
HELIX   20  20 ASN B   98  ARG B  103  5                                   6    
HELIX   21  21 ARG B  105  THR B  109  5                                   5    
HELIX   22  22 SER B  110  SER B  122  1                                  13    
HELIX   23  23 SER B  122  LYS B  134  1                                  13    
HELIX   24  24 TYR B  147  GLU B  151  5                                   5    
HELIX   25  25 TYR B  157  GLY B  179  1                                  23    
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  LEU C  102  5                                   5    
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  133  1                                  12    
HELIX   39  39 LYS C  134  MET C  136  5                                   3    
HELIX   40  40 TYR C  147  GLU C  151  5                                   5    
HELIX   41  41 TYR C  157  GLY C  179  1                                  23    
HELIX   42  42 LEU C  196  VAL C  201  5                                   6    
HELIX   43  43 GLY C  203  ALA C  215  1                                  13    
HELIX   44  44 ASP C  222  SER C  235  1                                  14    
HELIX   45  45 ASP C  236  SER C  239  5                                   4    
HELIX   46  46 GLY C  251  ALA C  254  5                                   4    
HELIX   47  47 SER D   19  LEU D   31  1                                  13    
HELIX   48  48 LYS D   41  ARG D   43  5                                   3    
HELIX   49  49 SER D   44  LEU D   52  1                                   9    
HELIX   50  50 SER D   69  GLY D   85  1                                  17    
HELIX   51  51 ASN D   98  LEU D  102  5                                   5    
HELIX   52  52 ARG D  105  THR D  109  5                                   5    
HELIX   53  53 SER D  110  SER D  122  1                                  13    
HELIX   54  54 SER D  122  LYS D  134  1                                  13    
HELIX   55  55 TYR D  147  GLU D  151  5                                   5    
HELIX   56  56 TYR D  157  GLY D  179  1                                  23    
HELIX   57  57 LEU D  196  VAL D  201  5                                   6    
HELIX   58  58 GLY D  203  ALA D  215  1                                  13    
HELIX   59  59 ASP D  222  SER D  235  1                                  14    
HELIX   60  60 ASP D  236  SER D  239  5                                   4    
HELIX   61  61 GLY D  251  HIS D  253  5                                   3    
HELIX   62  62 SER E   19  LEU E   31  1                                  13    
HELIX   63  63 LYS E   41  LEU E   52  1                                  12    
HELIX   64  64 GLU E   53  LEU E   55  5                                   3    
HELIX   65  65 SER E   69  GLY E   85  1                                  17    
HELIX   66  66 ASN E   98  LEU E  102  5                                   5    
HELIX   67  67 ARG E  105  THR E  109  5                                   5    
HELIX   68  68 SER E  110  SER E  122  1                                  13    
HELIX   69  69 SER E  122  LYS E  133  1                                  12    
HELIX   70  70 LYS E  134  MET E  136  5                                   3    
HELIX   71  71 TYR E  147  GLU E  151  5                                   5    
HELIX   72  72 ASN E  158  GLY E  179  1                                  22    
HELIX   73  73 LEU E  196  VAL E  201  5                                   6    
HELIX   74  74 GLY E  203  ALA E  215  1                                  13    
HELIX   75  75 ASP E  222  SER E  235  1                                  14    
HELIX   76  76 ASP E  236  SER E  239  5                                   4    
HELIX   77  77 GLY E  251  ALA E  254  5                                   4    
HELIX   78  78 SER F   19  LEU F   31  1                                  13    
HELIX   79  79 LYS F   41  LEU F   52  1                                  12    
HELIX   80  80 GLU F   53  LEU F   55  5                                   3    
HELIX   81  81 SER F   69  GLY F   85  1                                  17    
HELIX   82  82 ASN F   98  LEU F  102  5                                   5    
HELIX   83  83 ARG F  105  THR F  109  5                                   5    
HELIX   84  84 SER F  110  SER F  122  1                                  13    
HELIX   85  85 SER F  122  LYS F  134  1                                  13    
HELIX   86  86 TYR F  147  GLU F  151  5                                   5    
HELIX   87  87 TYR F  157  GLY F  179  1                                  23    
HELIX   88  88 SER F  197  VAL F  201  5                                   5    
HELIX   89  89 GLY F  203  ALA F  215  1                                  13    
HELIX   90  90 ASP F  222  SER F  235  1                                  14    
HELIX   91  91 ASP F  236  SER F  239  5                                   4    
HELIX   92  92 GLY F  251  ALA F  254  5                                   4    
HELIX   93  93 SER G   19  LEU G   31  1                                  13    
HELIX   94  94 LYS G   41  LEU G   52  1                                  12    
HELIX   95  95 GLU G   53  LEU G   55  5                                   3    
HELIX   96  96 SER G   69  GLY G   85  1                                  17    
HELIX   97  97 ASN G   98  LEU G  102  5                                   5    
HELIX   98  98 ARG G  105  THR G  109  5                                   5    
HELIX   99  99 SER G  110  SER G  122  1                                  13    
HELIX  100 100 SER G  122  LYS G  133  1                                  12    
HELIX  101 101 LYS G  134  MET G  136  5                                   3    
HELIX  102 102 TYR G  147  GLU G  151  5                                   5    
HELIX  103 103 TYR G  157  GLY G  179  1                                  23    
HELIX  104 104 LEU G  196  VAL G  201  5                                   6    
HELIX  105 105 GLY G  203  ALA G  215  1                                  13    
HELIX  106 106 ASP G  222  SER G  235  1                                  14    
HELIX  107 107 ASP G  236  SER G  239  5                                   4    
HELIX  108 108 GLY G  251  ALA G  254  5                                   4    
HELIX  109 109 SER H   19  LEU H   31  1                                  13    
HELIX  110 110 LYS H   41  LEU H   52  1                                  12    
HELIX  111 111 SER H   69  GLY H   85  1                                  17    
HELIX  112 112 ASN H   98  LEU H  102  5                                   5    
HELIX  113 113 ARG H  105  THR H  109  5                                   5    
HELIX  114 114 SER H  110  SER H  122  1                                  13    
HELIX  115 115 SER H  122  LYS H  133  1                                  12    
HELIX  116 116 LYS H  134  MET H  136  5                                   3    
HELIX  117 117 TYR H  147  GLU H  151  5                                   5    
HELIX  118 118 TYR H  157  GLY H  179  1                                  23    
HELIX  119 119 LEU H  196  VAL H  201  5                                   6    
HELIX  120 120 GLY H  203  ALA H  215  1                                  13    
HELIX  121 121 ASP H  222  SER H  235  1                                  14    
HELIX  122 122 ASP H  236  SER H  239  5                                   4    
HELIX  123 123 GLY H  251  HIS H  253  5                                   3    
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  BB 2 ALA B 153  VAL B 154  0                                        
SHEET    2  BB 2 ILE D 255  LYS D 256  1  N  LYS D 256   O  ALA B 153           
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  FB 2 ALA F 153  VAL F 154  0                                        
SHEET    2  FB 2 ILE H 255  LYS H 256  1  N  LYS H 256   O  ALA F 153           
SHEET    1  GA 7 LEU G  62  GLN G  64  0                                        
SHEET    2  GA 7 LYS G  34  TYR G  39  1  O  PHE G  37   N  TYR G  63           
SHEET    3  GA 7 THR G   8  MET G  12  1  O  TYR G   9   N  VAL G  36           
SHEET    4  GA 7 GLY G  89  HIS G  92  1  O  GLY G  89   N  VAL G  10           
SHEET    5  GA 7 GLY G 140  THR G 146  1  O  SER G 141   N  VAL G  90           
SHEET    6  GA 7 ILE G 183  ALA G 190  1  O  ARG G 184   N  ILE G 142           
SHEET    7  GA 7 ASN G 245  VAL G 248  1  O  ILE G 246   N  SER G 189           
SHEET    1  HA 7 LEU H  62  GLN H  64  0                                        
SHEET    2  HA 7 LYS H  34  TYR H  39  1  O  PHE H  37   N  TYR H  63           
SHEET    3  HA 7 THR H   8  MET H  12  1  O  TYR H   9   N  VAL H  36           
SHEET    4  HA 7 GLY H  89  HIS H  92  1  O  GLY H  89   N  VAL H  10           
SHEET    5  HA 7 GLY H 140  THR H 146  1  O  SER H 141   N  VAL H  90           
SHEET    6  HA 7 ILE H 183  ALA H 190  1  O  ARG H 184   N  ILE H 142           
SHEET    7  HA 7 ASN H 245  VAL H 248  1  O  ILE H 246   N  SER H 189           
SITE     1 AC1  7 ALA A  95  TYR A 147  TYR A 157  SER A 197                    
SITE     2 AC1  7 ALA A 198  VAL A 201  NAP A1258                               
SITE     1 AC2 31 GLY A  13  ILE A  14  ALA A  15  SER A  19                    
SITE     2 AC2 31 ILE A  20  ARG A  40  LYS A  41  SER A  44                    
SITE     3 AC2 31 ILE A  65  ASP A  66  VAL A  67  SER A  93                    
SITE     4 AC2 31 ILE A  94  ALA A  95  THR A 145  THR A 146                    
SITE     5 AC2 31 TYR A 147  LYS A 164  ALA A 190  GLY A 191                    
SITE     6 AC2 31 PRO A 192  ILE A 193  THR A 195  SER A 197                    
SITE     7 AC2 31 PHE A 204  5PP A1257  HOH A2006  HOH A2007                    
SITE     8 AC2 31 HOH A2008  HOH A2010  HOH A2167                               
SITE     1 AC3  8 ALA B  95  TYR B 147  TYR B 157  MET B 160                    
SITE     2 AC3  8 SER B 197  ALA B 198  VAL B 201  NAP B1258                    
SITE     1 AC4 32 GLY B  13  ILE B  14  ALA B  15  SER B  19                    
SITE     2 AC4 32 ILE B  20  ARG B  40  LYS B  41  SER B  44                    
SITE     3 AC4 32 ILE B  65  ASP B  66  VAL B  67  SER B  93                    
SITE     4 AC4 32 ILE B  94  ALA B  95  ILE B 120  THR B 145                    
SITE     5 AC4 32 THR B 146  TYR B 147  LYS B 164  ALA B 190                    
SITE     6 AC4 32 GLY B 191  PRO B 192  ILE B 193  THR B 195                    
SITE     7 AC4 32 LEU B 196  SER B 197  PHE B 204  5PP B1257                    
SITE     8 AC4 32 HOH B2008  HOH B2009  HOH B2010  HOH B2135                    
SITE     1 AC5  5 ARG B 103  GLY B 203  ASN B 205  THR B 206                    
SITE     2 AC5  5 LYS G 199                                                     
SITE     1 AC6  8 ALA C  97  TYR C 147  GLN C 155  TYR C 157                    
SITE     2 AC6  8 SER C 197  ALA C 198  VAL C 201  NAP C1258                    
SITE     1 AC7 32 GLY C  13  ILE C  14  ALA C  15  SER C  19                    
SITE     2 AC7 32 ILE C  20  ARG C  40  LYS C  41  SER C  44                    
SITE     3 AC7 32 ILE C  65  ASP C  66  VAL C  67  SER C  93                    
SITE     4 AC7 32 ILE C  94  ALA C  95  ILE C 120  THR C 145                    
SITE     5 AC7 32 THR C 146  TYR C 147  LYS C 164  ALA C 190                    
SITE     6 AC7 32 GLY C 191  PRO C 192  ILE C 193  THR C 195                    
SITE     7 AC7 32 LEU C 196  SER C 197  5PP C1257  HOH C2003                    
SITE     8 AC7 32 HOH C2004  HOH C2005  HOH C2007  GLU F 100                    
SITE     1 AC8  6 ARG C 103  GLY C 202  GLY C 203  ASN C 205                    
SITE     2 AC8  6 HOH C2060  LYS F 199                                          
SITE     1 AC9  7 ALA D  95  TYR D 147  TYR D 157  MET D 160                    
SITE     2 AC9  7 SER D 197  VAL D 201  NAP D1258                               
SITE     1 BC1 31 GLY D  13  ILE D  14  ALA D  15  SER D  19                    
SITE     2 BC1 31 ILE D  20  ARG D  40  LYS D  41  ILE D  65                    
SITE     3 BC1 31 ASP D  66  VAL D  67  SER D  93  ILE D  94                    
SITE     4 BC1 31 ALA D  95  ILE D 120  THR D 145  THR D 146                    
SITE     5 BC1 31 LYS D 164  ALA D 190  GLY D 191  PRO D 192                    
SITE     6 BC1 31 ILE D 193  THR D 195  LEU D 196  SER D 197                    
SITE     7 BC1 31 5PP D1257  HOH D2006  HOH D2007  HOH D2008                    
SITE     8 BC1 31 HOH D2009  HOH D2026  HOH D2104                               
SITE     1 BC2  8 ALA E  95  TYR E 147  TYR E 157  MET E 160                    
SITE     2 BC2  8 SER E 197  ALA E 198  VAL E 201  NAP E1258                    
SITE     1 BC3 31 GLY E  13  ILE E  14  ALA E  15  SER E  19                    
SITE     2 BC3 31 ILE E  20  ARG E  40  LYS E  41  SER E  44                    
SITE     3 BC3 31 ILE E  65  ASP E  66  VAL E  67  SER E  93                    
SITE     4 BC3 31 ILE E  94  ALA E  95  ILE E 120  THR E 145                    
SITE     5 BC3 31 THR E 146  TYR E 147  LYS E 164  ALA E 190                    
SITE     6 BC3 31 GLY E 191  PRO E 192  ILE E 193  THR E 195                    
SITE     7 BC3 31 SER E 197  5PP E1257  HOH E2005  HOH E2006                    
SITE     8 BC3 31 HOH E2007  HOH E2008  HOH E2101                               
SITE     1 BC4  5 LYS A 199  ARG E 103  GLY E 203  ASN E 205                    
SITE     2 BC4  5 THR E 206                                                     
SITE     1 BC5  7 ALA F  95  TYR F 157  MET F 160  SER F 197                    
SITE     2 BC5  7 ALA F 198  VAL F 201  NAP F1258                               
SITE     1 BC6 31 GLY F  13  ILE F  14  ALA F  15  SER F  19                    
SITE     2 BC6 31 ILE F  20  ARG F  40  LYS F  41  SER F  44                    
SITE     3 BC6 31 ILE F  65  ASP F  66  VAL F  67  SER F  93                    
SITE     4 BC6 31 ILE F  94  ALA F  95  ILE F 120  THR F 145                    
SITE     5 BC6 31 THR F 146  TYR F 147  LYS F 164  ALA F 190                    
SITE     6 BC6 31 PRO F 192  ILE F 193  THR F 195  SER F 197                    
SITE     7 BC6 31 5PP F1257  HOH F2014  HOH F2015  HOH F2016                    
SITE     8 BC6 31 HOH F2017  HOH F2038  HOH F2140                               
SITE     1 BC7  6 LYS C 199  ARG F 103  GLY F 203  PHE F 204                    
SITE     2 BC7  6 ASN F 205  THR F 206                                          
SITE     1 BC8  6 TYR G 147  TYR G 157  SER G 197  ALA G 198                    
SITE     2 BC8  6 VAL G 201  NAP G1258                                          
SITE     1 BC9 32 GLU B 100  GLY G  13  ILE G  14  ALA G  15                    
SITE     2 BC9 32 SER G  19  ILE G  20  ARG G  40  LYS G  41                    
SITE     3 BC9 32 SER G  44  ILE G  65  ASP G  66  VAL G  67                    
SITE     4 BC9 32 SER G  93  ILE G  94  ALA G  95  ILE G 120                    
SITE     5 BC9 32 THR G 145  THR G 146  TYR G 147  LYS G 164                    
SITE     6 BC9 32 ALA G 190  GLY G 191  PRO G 192  ILE G 193                    
SITE     7 BC9 32 THR G 195  LEU G 196  SER G 197  5PP G1257                    
SITE     8 BC9 32 HOH G2010  HOH G2011  HOH G2012  HOH G2014                    
SITE     1 CC1  5 LYS B 199  ARG G 103  GLY G 202  GLY G 203                    
SITE     2 CC1  5 HOH G2117                                                     
SITE     1 CC2  8 ALA H  95  LEU H 102  TYR H 147  TYR H 157                    
SITE     2 CC2  8 MET H 160  SER H 197  ALA H 198  NAP H1258                    
SITE     1 CC3 31 GLY H  13  ILE H  14  ALA H  15  SER H  19                    
SITE     2 CC3 31 ILE H  20  ARG H  40  LYS H  41  SER H  44                    
SITE     3 CC3 31 ILE H  65  ASP H  66  VAL H  67  SER H  93                    
SITE     4 CC3 31 ILE H  94  ALA H  95  ILE H 120  THR H 145                    
SITE     5 CC3 31 THR H 146  TYR H 147  LYS H 164  ALA H 190                    
SITE     6 CC3 31 GLY H 191  PRO H 192  ILE H 193  THR H 195                    
SITE     7 CC3 31 SER H 197  5PP H1257  HOH H2004  HOH H2005                    
SITE     8 CC3 31 HOH H2006  HOH H2007  HOH H2034                               
CRYST1   89.116   94.436   94.880  98.56  97.22 111.35 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      0.011221  0.004386  0.002399        0.00000                         
SCALE2      0.000000  0.011369  0.002449        0.00000                         
SCALE3      0.000000  0.000000  0.010868        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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