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Database: PDB
Entry: 4D44
LinkDB: 4D44
Original site: 4D44 
HEADER    OXIDOREDUCTASE                          26-OCT-14   4D44              
TITLE     CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH NADP              
TITLE    2 AND 5-ETHYL-4-FLUORO-2-((2-FLUOROPYRIDIN-3-YL)OXY)PHENOL             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH];            
COMPND   3 CHAIN: A, B, C, D, E, F, G, H;                                       
COMPND   4 SYNONYM: ENR, ENOYL-ACP REDUCTASE;                                   
COMPND   5 EC: 1.3.1.10, 1.3.1.39;                                              
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS N315;       
SOURCE   3 ORGANISM_TAXID: 158879;                                              
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PETM-11                                   
KEYWDS    OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/REDUCTASE SUPERFAMILY,      
KEYWDS   2 FATTY ACID BIOSYNTHESIS, LIPID SYNTHESIS, SAFABI, FABI               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.SCHIEBEL,A.CHANG,P.J.TONGE,C.A.SOTRIFFER,C.KISKER                   
REVDAT   2   15-APR-15 4D44    1       JRNL                                     
REVDAT   1   04-MAR-15 4D44    0                                                
JRNL        AUTH   J.SCHIEBEL,A.CHANG,B.MERGET,G.R.BOMMINENI,W.YU,              
JRNL        AUTH 2 L.A.SPAGNUOLO,M.V.BAXTER,M.TAREILUS,P.J.TONGE,C.KISKER,      
JRNL        AUTH 3 C.A.SOTRIFFER                                                
JRNL        TITL   AN ORDERED WATER CHANNEL IN STAPHYLOCOCCUS AUREUS FABI:      
JRNL        TITL 2 UNRAVELING THE MECHANISM OF SUBSTRATE RECOGNITION AND        
JRNL        TITL 3 REDUCTION.                                                   
JRNL        REF    BIOCHEMISTRY                  V.  54  1943 2015              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   25706582                                                     
JRNL        DOI    10.1021/BI5014358                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 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) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.64                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NONE                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.49                          
REMARK   3   NUMBER OF REFLECTIONS             : 241457                         
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) : 0.14184                         
REMARK   3   R VALUE            (WORKING SET) : 0.14033                         
REMARK   3   FREE R VALUE                     : 0.17029                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.0                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 12770                           
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) : 1.800                        
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.847                        
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 17641                        
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 96.34                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.266                        
REMARK   3   BIN FREE R VALUE SET COUNT          : 937                          
REMARK   3   BIN FREE R VALUE                    : 0.302                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 16242                                   
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 652                                     
REMARK   3   SOLVENT ATOMS            :   1343                                  
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 28.788                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.88                                                 
REMARK   3    B22 (A**2) : -0.80                                                
REMARK   3    B33 (A**2) : -1.49                                                
REMARK   3    B12 (A**2) : -0.12                                                
REMARK   3    B13 (A**2) : -0.19                                                
REMARK   3    B23 (A**2) : -1.00                                                
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.085         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.086         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.062         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.210         
REMARK   3                                                                      
REMARK   3  CORRELATION COEFFICIENTS.                                           
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.978                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.968                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A): 17174 ; 0.015 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 23274 ; 1.873 ; 2.004       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  2144 ; 6.110 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   776 ;38.950 ;24.742       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  3008 ;14.985 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):   112 ;17.837 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  2592 ; 0.120 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 13272 ; 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): 10448 ; 1.536 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 16738 ; 2.344 ; 2.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  6726 ; 4.178 ; 3.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  6512 ; 6.415 ; 4.500       
REMARK   3                                                                      
REMARK   3  ANISOTROPIC THERMAL FACTOR RESTRAINTS.   COUNT   RMS    WEIGHT      
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 56                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP :     1                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     3        A    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):  34.5354 -18.8767  -6.1761              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1185 T22:   0.1282                                     
REMARK   3      T33:   0.0989 T12:  -0.0869                                     
REMARK   3      T13:   0.0172 T23:   0.0225                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3528 L22:   1.9177                                     
REMARK   3      L33:   2.5286 L12:   0.1282                                     
REMARK   3      L13:   0.7481 L23:  -0.2369                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0070 S12:  -0.0555 S13:   0.1602                       
REMARK   3      S21:  -0.0482 S22:   0.0305 S23:  -0.1163                       
REMARK   3      S31:  -0.4395 S32:   0.3336 S33:  -0.0375                       
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):  33.5786 -15.9165 -14.5596              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1867 T22:   0.1259                                     
REMARK   3      T33:   0.1303 T12:  -0.0915                                     
REMARK   3      T13:   0.0567 T23:   0.0508                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.8540 L22:   0.7334                                     
REMARK   3      L33:   3.8193 L12:  -0.3253                                     
REMARK   3      L13:   1.8834 L23:   0.2672                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0079 S12:   0.2197 S13:   0.2736                       
REMARK   3      S21:  -0.2076 S22:  -0.0277 S23:  -0.1244                       
REMARK   3      S31:  -0.5597 S32:   0.3605 S33:   0.0356                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :     3                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    62        A   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  29.1075 -29.4858 -15.4906              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1380 T22:   0.1625                                     
REMARK   3      T33:   0.1141 T12:  -0.0109                                     
REMARK   3      T13:   0.0183 T23:   0.0195                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7935 L22:   0.9346                                     
REMARK   3      L33:   0.9594 L12:   0.1929                                     
REMARK   3      L13:  -0.1252 L23:  -0.2711                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0112 S12:   0.1552 S13:   0.0572                       
REMARK   3      S21:  -0.2571 S22:   0.0307 S23:  -0.0784                       
REMARK   3      S31:  -0.0819 S32:   0.2027 S33:  -0.0195                       
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):  23.4453 -35.8847  -7.2058              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0992 T22:   0.0834                                     
REMARK   3      T33:   0.0865 T12:   0.0355                                     
REMARK   3      T13:  -0.0057 T23:   0.0124                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9960 L22:   0.8792                                     
REMARK   3      L33:   1.0547 L12:   0.3524                                     
REMARK   3      L13:  -0.2461 L23:  -0.0467                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0077 S12:   0.0350 S13:  -0.0120                       
REMARK   3      S21:  -0.1481 S22:   0.0311 S23:  -0.0128                       
REMARK   3      S31:   0.0149 S32:   0.1538 S33:  -0.0233                       
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):  26.9425 -35.8057  -1.0677              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0617 T22:   0.0969                                     
REMARK   3      T33:   0.0956 T12:   0.0214                                     
REMARK   3      T13:   0.0074 T23:   0.0082                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6683 L22:   1.0200                                     
REMARK   3      L33:   1.1846 L12:  -0.3200                                     
REMARK   3      L13:   0.1461 L23:   0.0011                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0445 S12:   0.0153 S13:   0.0067                       
REMARK   3      S21:  -0.0410 S22:   0.0054 S23:  -0.0426                       
REMARK   3      S31:  -0.0173 S32:   0.1456 S33:  -0.0499                       
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):  12.8700 -19.6977   2.8301              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1045 T22:   0.0872                                     
REMARK   3      T33:   0.1411 T12:   0.0544                                     
REMARK   3      T13:   0.0003 T23:   0.0236                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5113 L22:   0.7809                                     
REMARK   3      L33:  10.1599 L12:   0.2568                                     
REMARK   3      L13:  -1.7263 L23:   0.9486                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0599 S12:   0.1061 S13:   0.2880                       
REMARK   3      S21:  -0.0850 S22:  -0.0009 S23:   0.1208                       
REMARK   3      S31:  -0.3492 S32:  -0.8080 S33:  -0.0590                       
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):  28.2643 -24.9813   7.8319              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0693 T22:   0.1157                                     
REMARK   3      T33:   0.1037 T12:  -0.0236                                     
REMARK   3      T13:   0.0033 T23:  -0.0072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7605 L22:   0.7603                                     
REMARK   3      L33:   1.1632 L12:  -0.1401                                     
REMARK   3      L13:   0.2505 L23:  -0.0384                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0021 S12:  -0.0653 S13:   0.0244                       
REMARK   3      S21:   0.0578 S22:   0.0071 S23:  -0.0265                       
REMARK   3      S31:  -0.1891 S32:   0.1862 S33:  -0.0050                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :     8                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     3        B    29                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.0195 -63.3478   1.1301              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1681 T22:   0.0360                                     
REMARK   3      T33:   0.1403 T12:  -0.0625                                     
REMARK   3      T13:   0.0005 T23:  -0.0095                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3591 L22:   2.1030                                     
REMARK   3      L33:   2.8184 L12:   0.0096                                     
REMARK   3      L13:  -0.4589 L23:   0.3756                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0034 S12:  -0.0778 S13:  -0.1687                       
REMARK   3      S21:   0.0341 S22:  -0.0010 S23:   0.1497                       
REMARK   3      S31:   0.5958 S32:  -0.2125 S33:   0.0044                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :     9                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B    30        B    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.4255 -67.2237  -6.2448              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2106 T22:   0.0520                                     
REMARK   3      T33:   0.1848 T12:  -0.0789                                     
REMARK   3      T13:  -0.0315 T23:  -0.0432                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.9466 L22:   1.6156                                     
REMARK   3      L33:   4.2686 L12:  -0.5068                                     
REMARK   3      L13:  -1.7618 L23:   0.4692                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0531 S12:   0.0952 S13:  -0.3268                       
REMARK   3      S21:  -0.0141 S22:  -0.1023 S23:   0.2291                       
REMARK   3      S31:   0.6220 S32:  -0.2267 S33:   0.0492                       
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):   6.9292 -54.1206 -10.5132              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1580 T22:   0.0970                                     
REMARK   3      T33:   0.1568 T12:  -0.0132                                     
REMARK   3      T13:  -0.0352 T23:  -0.0219                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1724 L22:   0.8418                                     
REMARK   3      L33:   1.2049 L12:   0.2270                                     
REMARK   3      L13:  -0.0347 L23:   0.3405                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0561 S12:   0.1981 S13:  -0.0947                       
REMARK   3      S21:  -0.1610 S22:  -0.0112 S23:   0.1596                       
REMARK   3      S31:   0.2260 S32:  -0.1730 S33:   0.0673                       
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):  14.5292 -47.0058  -5.3820              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1005 T22:   0.0466                                     
REMARK   3      T33:   0.1071 T12:   0.0385                                     
REMARK   3      T13:  -0.0193 T23:  -0.0105                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6924 L22:   0.9119                                     
REMARK   3      L33:   1.0157 L12:   0.6284                                     
REMARK   3      L13:  -0.2180 L23:   0.0238                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0219 S12:   0.0297 S13:  -0.0054                       
REMARK   3      S21:  -0.1437 S22:  -0.0001 S23:   0.1113                       
REMARK   3      S31:   0.1103 S32:  -0.0698 S33:   0.0220                       
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):  13.4713 -46.2138   1.6163              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0830 T22:   0.0575                                     
REMARK   3      T33:   0.1145 T12:   0.0258                                     
REMARK   3      T13:  -0.0059 T23:  -0.0004                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5896 L22:   0.9314                                     
REMARK   3      L33:   1.1381 L12:  -0.2277                                     
REMARK   3      L13:  -0.0280 L23:   0.2040                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0317 S12:   0.0159 S13:  -0.0662                       
REMARK   3      S21:   0.0117 S22:   0.0060 S23:   0.0708                       
REMARK   3      S31:   0.0925 S32:  -0.0209 S33:   0.0257                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    13                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   194        B   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  28.3224 -61.7221   3.1223              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2185 T22:   0.1603                                     
REMARK   3      T33:   0.2250 T12:   0.1056                                     
REMARK   3      T13:   0.0428 T23:  -0.0231                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1508 L22:   1.1800                                     
REMARK   3      L33:  11.1165 L12:  -0.5758                                     
REMARK   3      L13:   2.2045 L23:   0.0132                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0457 S12:   0.4249 S13:  -0.2752                       
REMARK   3      S21:  -0.1242 S22:   0.0851 S23:  -0.1063                       
REMARK   3      S31:   0.4375 S32:   1.0529 S33:  -0.1308                       
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):  14.8466 -55.4079  11.9366              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1352 T22:   0.0783                                     
REMARK   3      T33:   0.1259 T12:   0.0289                                     
REMARK   3      T13:   0.0167 T23:   0.0186                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5585 L22:   0.5859                                     
REMARK   3      L33:   1.2200 L12:  -0.0194                                     
REMARK   3      L13:  -0.0278 L23:   0.0600                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0121 S12:  -0.0608 S13:  -0.0546                       
REMARK   3      S21:   0.0990 S22:  -0.0276 S23:   0.0292                       
REMARK   3      S31:   0.2908 S32:   0.0204 S33:   0.0155                       
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):   1.8303 -53.3521  30.2459              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1542 T22:   0.0900                                     
REMARK   3      T33:   0.0888 T12:  -0.0650                                     
REMARK   3      T13:   0.0735 T23:   0.0224                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9596 L22:   2.2231                                     
REMARK   3      L33:   2.5693 L12:  -0.2565                                     
REMARK   3      L13:   0.2056 L23:   0.0991                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0618 S12:  -0.1680 S13:  -0.1318                       
REMARK   3      S21:   0.1683 S22:  -0.0451 S23:   0.1176                       
REMARK   3      S31:   0.3884 S32:  -0.2964 S33:  -0.0167                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    16                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    30        C    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.5050 -53.1188  38.7000              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2171 T22:   0.1985                                     
REMARK   3      T33:   0.1284 T12:  -0.0829                                     
REMARK   3      T13:   0.1018 T23:   0.0570                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5687 L22:   3.0816                                     
REMARK   3      L33:   3.9861 L12:  -0.2793                                     
REMARK   3      L13:  -0.1785 L23:   2.0232                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0802 S12:  -0.2232 S13:  -0.1487                       
REMARK   3      S21:   0.3956 S22:   0.0154 S23:   0.2663                       
REMARK   3      S31:   0.4696 S32:  -0.4093 S33:   0.0648                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    17                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C    62        C   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.1021 -49.4923  38.8819              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1774 T22:   0.1305                                     
REMARK   3      T33:   0.0404 T12:   0.0024                                     
REMARK   3      T13:   0.0434 T23:   0.0533                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9057 L22:   1.7829                                     
REMARK   3      L33:   1.5552 L12:   0.5023                                     
REMARK   3      L13:  -0.2713 L23:  -0.5359                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0640 S12:  -0.3270 S13:  -0.1113                       
REMARK   3      S21:   0.3224 S22:  -0.0854 S23:   0.0639                       
REMARK   3      S31:   0.2306 S32:   0.0438 S33:   0.0214                       
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):  18.9749 -42.8819  30.9605              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1012 T22:   0.1404                                     
REMARK   3      T33:   0.0472 T12:   0.0223                                     
REMARK   3      T13:   0.0247 T23:   0.0158                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8764 L22:   1.5768                                     
REMARK   3      L33:   1.2893 L12:   0.2477                                     
REMARK   3      L13:  -0.1086 L23:   0.1115                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0579 S12:  -0.2243 S13:  -0.0522                       
REMARK   3      S21:   0.1668 S22:  -0.0407 S23:   0.0353                       
REMARK   3      S31:   0.1226 S32:   0.1441 S33:  -0.0172                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    19                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   155        C   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.2634 -45.7286  24.4824              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1164 T22:   0.1053                                     
REMARK   3      T33:   0.0842 T12:   0.0317                                     
REMARK   3      T13:   0.0158 T23:   0.0277                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8929 L22:   0.9906                                     
REMARK   3      L33:   1.2745 L12:  -0.3699                                     
REMARK   3      L13:  -0.2321 L23:   0.3573                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0108 S12:  -0.1172 S13:  -0.0562                       
REMARK   3      S21:   0.1588 S22:   0.0040 S23:   0.0372                       
REMARK   3      S31:   0.1252 S32:   0.1021 S33:  -0.0148                       
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):   2.3673 -31.2444  23.0913              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1377 T22:   0.0817                                     
REMARK   3      T33:   0.1589 T12:   0.0433                                     
REMARK   3      T13:   0.0725 T23:  -0.0376                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8388 L22:   2.8451                                     
REMARK   3      L33:  14.0632 L12:  -0.0867                                     
REMARK   3      L13:   2.7807 L23:  -0.9320                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0927 S12:  -0.1715 S13:   0.1900                       
REMARK   3      S21:   0.2439 S22:  -0.0693 S23:   0.2283                       
REMARK   3      S31:  -0.9825 S32:  -0.3746 S33:   0.1620                       
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):   6.7746 -46.4698  16.5377              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0994 T22:   0.0845                                     
REMARK   3      T33:   0.1253 T12:   0.0073                                     
REMARK   3      T13:   0.0274 T23:   0.0073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6238 L22:   0.4681                                     
REMARK   3      L33:   1.4438 L12:   0.2948                                     
REMARK   3      L13:  -0.0331 L23:   0.5165                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0123 S12:  -0.0135 S13:   0.0144                       
REMARK   3      S21:   0.0788 S22:  -0.0578 S23:   0.1164                       
REMARK   3      S31:   0.1482 S32:  -0.1624 S33:   0.0455                       
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):  46.3813 -24.8749  21.4811              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0773 T22:   0.3525                                     
REMARK   3      T33:   0.1659 T12:  -0.1261                                     
REMARK   3      T13:  -0.0319 T23:  -0.0417                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5712 L22:   1.6991                                     
REMARK   3      L33:   2.5548 L12:   0.0616                                     
REMARK   3      L13:   0.3726 L23:   0.3701                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0051 S12:  -0.1541 S13:   0.1159                       
REMARK   3      S21:   0.1204 S22:   0.0828 S23:  -0.2038                       
REMARK   3      S31:  -0.3343 S32:   0.5989 S33:  -0.0777                       
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):  50.9229 -23.5738  28.8138              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1323 T22:   0.4884                                     
REMARK   3      T33:   0.2617 T12:  -0.1437                                     
REMARK   3      T13:  -0.1008 T23:  -0.1035                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4824 L22:   2.0309                                     
REMARK   3      L33:   6.2021 L12:   0.7514                                     
REMARK   3      L13:  -0.6232 L23:  -1.5391                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0036 S12:  -0.3510 S13:  -0.1184                       
REMARK   3      S21:   0.2852 S22:   0.0153 S23:  -0.5009                       
REMARK   3      S31:  -0.4686 S32:   0.8347 S33:  -0.0117                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    24                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    62        D   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.1205 -27.2793  33.3954              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1073 T22:   0.3214                                     
REMARK   3      T33:   0.0676 T12:  -0.0843                                     
REMARK   3      T13:  -0.0416 T23:  -0.0751                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5239 L22:   1.5676                                     
REMARK   3      L33:   1.2325 L12:   0.7858                                     
REMARK   3      L13:  -0.0916 L23:  -0.2126                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1209 S12:  -0.4442 S13:   0.1220                       
REMARK   3      S21:   0.2859 S22:  -0.0783 S23:  -0.1713                       
REMARK   3      S31:  -0.1839 S32:   0.4172 S33:  -0.0426                       
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):  30.3248 -34.0360  28.6038              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0473 T22:   0.1915                                     
REMARK   3      T33:   0.0451 T12:  -0.0056                                     
REMARK   3      T13:  -0.0239 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8995 L22:   1.9199                                     
REMARK   3      L33:   1.2275 L12:   0.4901                                     
REMARK   3      L13:  -0.0100 L23:   0.1612                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0614 S12:  -0.2769 S13:   0.0487                       
REMARK   3      S21:   0.1666 S22:  -0.0305 S23:  -0.0159                       
REMARK   3      S31:  -0.0525 S32:   0.2810 S33:  -0.0309                       
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):  29.2675 -32.8390  22.0306              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0920 T22:   0.1695                                     
REMARK   3      T33:   0.0939 T12:  -0.0055                                     
REMARK   3      T13:  -0.0092 T23:  -0.0201                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0505 L22:   0.6544                                     
REMARK   3      L33:   0.9791 L12:  -0.5302                                     
REMARK   3      L13:   0.0673 L23:  -0.1551                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0189 S12:  -0.1633 S13:   0.0406                       
REMARK   3      S21:   0.1563 S22:   0.0370 S23:  -0.0696                       
REMARK   3      S31:  -0.0724 S32:   0.2080 S33:  -0.0559                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    27                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   194        D   214                          
REMARK   3    ORIGIN FOR THE GROUP (A):  44.2170 -47.6747  18.3265              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1571 T22:   0.3110                                     
REMARK   3      T33:   0.2200 T12:   0.1008                                     
REMARK   3      T13:  -0.0763 T23:   0.0573                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5881 L22:   2.6683                                     
REMARK   3      L33:   8.6265 L12:  -0.6091                                     
REMARK   3      L13:  -0.1943 L23:  -0.2132                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0984 S12:  -0.1336 S13:  -0.1533                       
REMARK   3      S21:   0.0994 S22:  -0.0390 S23:  -0.3008                       
REMARK   3      S31:   0.8097 S32:   0.6655 S33:  -0.0594                       
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):  37.6186 -33.2952  11.0844              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0168 T22:   0.1816                                     
REMARK   3      T33:   0.0975 T12:  -0.0086                                     
REMARK   3      T13:  -0.0115 T23:  -0.0038                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4550 L22:   0.9987                                     
REMARK   3      L33:   1.6946 L12:  -0.0644                                     
REMARK   3      L13:   0.1072 L23:   0.0734                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0195 S12:  -0.0846 S13:  -0.0017                       
REMARK   3      S21:   0.0338 S22:   0.0125 S23:  -0.1204                       
REMARK   3      S31:  -0.0603 S32:   0.3731 S33:  -0.0320                       
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): -10.1911 -27.4721 -23.2384              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0664 T22:   0.0691                                     
REMARK   3      T33:   0.2033 T12:  -0.0447                                     
REMARK   3      T13:   0.0193 T23:   0.0245                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3574 L22:   1.8592                                     
REMARK   3      L33:   2.4828 L12:  -0.4849                                     
REMARK   3      L13:  -0.3890 L23:  -0.1680                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1030 S12:  -0.0649 S13:  -0.3061                       
REMARK   3      S21:   0.0789 S22:  -0.0097 S23:   0.3588                       
REMARK   3      S31:   0.1913 S32:  -0.1844 S33:   0.1127                       
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):  -6.0631 -34.9053 -21.1669              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1477 T22:   0.0434                                     
REMARK   3      T33:   0.2269 T12:  -0.0416                                     
REMARK   3      T13:   0.0598 T23:   0.0453                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1126 L22:   2.2561                                     
REMARK   3      L33:   1.6547 L12:  -0.8151                                     
REMARK   3      L13:   1.2797 L23:  -0.0587                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1218 S12:  -0.1439 S13:  -0.5494                       
REMARK   3      S21:   0.2106 S22:   0.0374 S23:   0.3238                       
REMARK   3      S31:   0.3074 S32:  -0.0807 S33:   0.0845                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    31                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E    62        E   104                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.2074 -28.6314 -29.7456              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1592 T22:   0.0805                                     
REMARK   3      T33:   0.1521 T12:   0.0043                                     
REMARK   3      T13:   0.0105 T23:   0.0116                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7772 L22:   1.3731                                     
REMARK   3      L33:   0.4560 L12:   0.1061                                     
REMARK   3      L13:  -0.1869 L23:  -0.0006                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0174 S12:   0.0026 S13:  -0.2766                       
REMARK   3      S21:  -0.0796 S22:  -0.0451 S23:   0.0422                       
REMARK   3      S31:   0.2278 S32:   0.0007 S33:   0.0625                       
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):   5.3005 -16.9995 -30.8697              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1101 T22:   0.0889                                     
REMARK   3      T33:   0.0794 T12:   0.0116                                     
REMARK   3      T13:   0.0081 T23:   0.0295                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2349 L22:   1.1351                                     
REMARK   3      L33:   0.7287 L12:   0.2400                                     
REMARK   3      L13:   0.1117 L23:   0.3095                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0213 S12:   0.0218 S13:  -0.1560                       
REMARK   3      S21:  -0.1448 S22:  -0.0384 S23:  -0.0112                       
REMARK   3      S31:   0.0673 S32:   0.0257 S33:   0.0597                       
REMARK   3                                                                      
REMARK   3   TLS GROUP :    33                                                  
REMARK   3    NUMBER OF COMPONENTS GROUP :    1                                 
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   E   155        E   193                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -0.5893 -13.2821 -32.1469              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1085 T22:   0.0824                                     
REMARK   3      T33:   0.0737 T12:  -0.0012                                     
REMARK   3      T13:  -0.0071 T23:   0.0059                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7407 L22:   0.8863                                     
REMARK   3      L33:   1.3792 L12:  -0.4586                                     
REMARK   3      L13:  -0.1086 L23:   0.0882                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0087 S12:   0.0458 S13:  -0.0746                       
REMARK   3      S21:  -0.0948 S22:  -0.0545 S23:   0.0555                       
REMARK   3      S31:   0.0560 S32:  -0.0406 S33:   0.0458                       
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):   0.3166 -10.3242 -10.5991              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0984 T22:   0.1453                                     
REMARK   3      T33:   0.0612 T12:   0.0237                                     
REMARK   3      T13:  -0.0346 T23:   0.0229                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3999 L22:   6.1027                                     
REMARK   3      L33:   2.2681 L12:  -2.7846                                     
REMARK   3      L13:  -0.2317 L23:   2.3357                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2861 S12:  -0.4754 S13:   0.1827                       
REMARK   3      S21:   0.5326 S22:   0.3643 S23:  -0.4295                       
REMARK   3      S31:   0.1817 S32:   0.0824 S33:  -0.0782                       
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): -11.2005 -10.9187 -23.1857              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0662 T22:   0.1047                                     
REMARK   3      T33:   0.1177 T12:  -0.0028                                     
REMARK   3      T13:  -0.0122 T23:   0.0072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2347 L22:   0.8614                                     
REMARK   3      L33:   0.7622 L12:  -0.2920                                     
REMARK   3      L13:   0.0838 L23:   0.0100                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0431 S12:  -0.0435 S13:  -0.0978                       
REMARK   3      S21:   0.0006 S22:   0.0146 S23:   0.1875                       
REMARK   3      S31:  -0.0030 S32:  -0.0868 S33:   0.0285                       
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):  25.1108   8.5771 -41.9560              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1627 T22:   0.1087                                     
REMARK   3      T33:   0.1810 T12:  -0.0651                                     
REMARK   3      T13:   0.1416 T23:   0.0016                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0906 L22:   3.3328                                     
REMARK   3      L33:   3.4248 L12:  -0.1785                                     
REMARK   3      L13:   0.3850 L23:   0.4848                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1143 S12:   0.0989 S13:   0.3705                       
REMARK   3      S21:  -0.3256 S22:  -0.0199 S23:  -0.3875                       
REMARK   3      S31:  -0.2412 S32:   0.1895 S33:  -0.0944                       
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):  32.0135   4.9622 -44.9625              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1694 T22:   0.2395                                     
REMARK   3      T33:   0.2419 T12:  -0.0909                                     
REMARK   3      T13:   0.1750 T23:  -0.0046                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4505 L22:   4.7090                                     
REMARK   3      L33:   2.4405 L12:  -0.5334                                     
REMARK   3      L13:   0.0692 L23:   2.1244                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1665 S12:   0.1846 S13:   0.2959                       
REMARK   3      S21:  -0.4594 S22:   0.0882 S23:  -0.6282                       
REMARK   3      S31:  -0.1958 S32:   0.3510 S33:  -0.2547                       
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):  26.6231  -5.1379 -36.6546              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1134 T22:   0.1768                                     
REMARK   3      T33:   0.1563 T12:  -0.0290                                     
REMARK   3      T13:   0.0783 T23:  -0.0137                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4777 L22:   0.8925                                     
REMARK   3      L33:   1.4475 L12:   0.0468                                     
REMARK   3      L13:   0.2921 L23:   0.5306                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0466 S12:  -0.0415 S13:   0.0455                       
REMARK   3      S21:  -0.2329 S22:   0.0463 S23:  -0.3410                       
REMARK   3      S31:  -0.0866 S32:   0.2925 S33:  -0.0929                       
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):  15.4092  -7.0908 -34.5450              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0999 T22:   0.1119                                     
REMARK   3      T33:   0.0532 T12:   0.0008                                     
REMARK   3      T13:   0.0454 T23:   0.0125                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3338 L22:   1.3891                                     
REMARK   3      L33:   0.8301 L12:   0.3213                                     
REMARK   3      L13:   0.0763 L23:   0.5041                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0104 S12:  -0.0463 S13:  -0.0021                       
REMARK   3      S21:  -0.1598 S22:   0.0190 S23:  -0.1746                       
REMARK   3      S31:  -0.0192 S32:   0.1375 S33:  -0.0087                       
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):  11.8946  -1.2529 -32.6510              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1086 T22:   0.0979                                     
REMARK   3      T33:   0.0694 T12:  -0.0095                                     
REMARK   3      T13:   0.0259 T23:   0.0100                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6538 L22:   0.9459                                     
REMARK   3      L33:   1.1828 L12:  -0.3333                                     
REMARK   3      L13:  -0.2573 L23:   0.0028                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0110 S12:  -0.0231 S13:   0.0162                       
REMARK   3      S21:  -0.1476 S22:   0.0285 S23:  -0.1097                       
REMARK   3      S31:  -0.0633 S32:   0.0749 S33:  -0.0395                       
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):   6.8426  -0.2360 -53.7028              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3619 T22:   0.1797                                     
REMARK   3      T33:   0.0558 T12:   0.0207                                     
REMARK   3      T13:   0.0191 T23:  -0.0296                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0623 L22:   5.9597                                     
REMARK   3      L33:   1.9465 L12:  -3.7823                                     
REMARK   3      L13:   0.8920 L23:   0.7197                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3938 S12:   0.5982 S13:  -0.5608                       
REMARK   3      S21:  -0.6881 S22:  -0.3318 S23:   0.2554                       
REMARK   3      S31:  -0.1043 S32:   0.0622 S33:  -0.0620                       
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):   8.7422  10.1591 -40.2145              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2007 T22:   0.0779                                     
REMARK   3      T33:   0.0777 T12:  -0.0045                                     
REMARK   3      T13:   0.0404 T23:   0.0173                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5727 L22:   0.8407                                     
REMARK   3      L33:   0.6675 L12:  -0.3555                                     
REMARK   3      L13:  -0.3441 L23:   0.3089                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1035 S12:   0.0503 S13:   0.1270                       
REMARK   3      S21:  -0.2672 S22:  -0.0417 S23:  -0.1205                       
REMARK   3      S31:  -0.1564 S32:   0.0035 S33:  -0.0618                       
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):   6.7483  29.8355 -28.9640              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1675 T22:   0.0070                                     
REMARK   3      T33:   0.1755 T12:  -0.0289                                     
REMARK   3      T13:   0.0539 T23:  -0.0119                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3697 L22:   2.1461                                     
REMARK   3      L33:   1.8348 L12:  -0.6645                                     
REMARK   3      L13:  -0.3243 L23:   0.3039                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0702 S12:  -0.0328 S13:   0.4023                       
REMARK   3      S21:  -0.1932 S22:  -0.0087 S23:  -0.3323                       
REMARK   3      S31:  -0.1360 S32:   0.0486 S33:  -0.0615                       
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):   3.4633  37.5566 -26.9096              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2637 T22:   0.0154                                     
REMARK   3      T33:   0.2755 T12:  -0.0229                                     
REMARK   3      T13:   0.0196 T23:  -0.0082                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4665 L22:   1.8201                                     
REMARK   3      L33:   3.1950 L12:  -0.7486                                     
REMARK   3      L13:  -2.4771 L23:   1.1352                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0299 S12:  -0.0677 S13:   0.5868                       
REMARK   3      S21:  -0.2894 S22:   0.0677 S23:  -0.3174                       
REMARK   3      S31:  -0.4298 S32:  -0.0246 S33:  -0.0977                       
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):  -8.0122  30.3379 -31.4663              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2207 T22:   0.0175                                     
REMARK   3      T33:   0.1352 T12:   0.0437                                     
REMARK   3      T13:  -0.0116 T23:   0.0155                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9697 L22:   1.6676                                     
REMARK   3      L33:   1.0857 L12:   0.1177                                     
REMARK   3      L13:  -0.2602 L23:  -0.1466                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0748 S12:   0.0599 S13:   0.3192                       
REMARK   3      S21:  -0.2317 S22:  -0.0687 S23:   0.0720                       
REMARK   3      S31:  -0.3504 S32:  -0.0827 S33:  -0.0061                       
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): -10.1330  18.8471 -30.2669              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1529 T22:   0.0522                                     
REMARK   3      T33:   0.0820 T12:   0.0399                                     
REMARK   3      T13:  -0.0393 T23:  -0.0294                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2581 L22:   1.5254                                     
REMARK   3      L33:   1.3632 L12:   0.2334                                     
REMARK   3      L13:  -0.3925 L23:  -0.4259                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0291 S12:   0.0446 S13:   0.1822                       
REMARK   3      S21:  -0.2405 S22:  -0.0926 S23:   0.0962                       
REMARK   3      S31:  -0.1766 S32:  -0.0689 S33:   0.0634                       
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):  -4.9040  15.0772 -32.6291              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1799 T22:   0.0631                                     
REMARK   3      T33:   0.0760 T12:   0.0251                                     
REMARK   3      T13:  -0.0241 T23:   0.0071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7819 L22:   0.8069                                     
REMARK   3      L33:   1.3476 L12:  -0.2855                                     
REMARK   3      L13:   0.0442 L23:   0.4873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0256 S12:   0.0379 S13:   0.1183                       
REMARK   3      S21:  -0.1976 S22:  -0.0490 S23:   0.0408                       
REMARK   3      S31:  -0.1899 S32:   0.0079 S33:   0.0234                       
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):   1.0467  14.9815 -12.0350              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1566 T22:   0.1627                                     
REMARK   3      T33:   0.0764 T12:   0.0045                                     
REMARK   3      T13:   0.0224 T23:  -0.0417                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.4902 L22:   4.4073                                     
REMARK   3      L33:   2.6692 L12:  -3.9847                                     
REMARK   3      L13:  -1.2039 L23:  -0.2333                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3533 S12:  -0.4735 S13:  -0.0228                       
REMARK   3      S21:   0.6103 S22:   0.3199 S23:   0.2084                       
REMARK   3      S31:  -0.1444 S32:   0.0815 S33:   0.0334                       
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):   8.0541  13.8833 -27.6742              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1395 T22:   0.0803                                     
REMARK   3      T33:   0.0985 T12:  -0.0150                                     
REMARK   3      T13:   0.0287 T23:  -0.0031                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9555 L22:   0.7848                                     
REMARK   3      L33:   0.7520 L12:  -0.4163                                     
REMARK   3      L13:  -0.2975 L23:   0.4101                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0427 S12:  -0.0786 S13:   0.1324                       
REMARK   3      S21:  -0.1182 S22:   0.0582 S23:  -0.1354                       
REMARK   3      S31:  -0.1117 S32:   0.0636 S33:  -0.1009                       
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): -31.8757  -7.4337 -31.9669              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0369 T22:   0.2360                                     
REMARK   3      T33:   0.2755 T12:  -0.0191                                     
REMARK   3      T13:  -0.0691 T23:  -0.0850                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8306 L22:   2.7316                                     
REMARK   3      L33:   2.3007 L12:  -0.3152                                     
REMARK   3      L13:   0.0743 L23:   0.0744                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0500 S12:   0.0059 S13:  -0.1981                       
REMARK   3      S21:  -0.1915 S22:  -0.1642 S23:   0.5172                       
REMARK   3      S31:   0.0598 S32:  -0.3086 S33:   0.2142                       
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): -39.4645  -4.0991 -32.7974              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0379 T22:   0.3942                                     
REMARK   3      T33:   0.3989 T12:  -0.0451                                     
REMARK   3      T13:  -0.0879 T23:  -0.1034                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6969 L22:   6.7631                                     
REMARK   3      L33:   2.0390 L12:   0.0387                                     
REMARK   3      L13:   0.4927 L23:  -0.6962                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1295 S12:   0.2251 S13:  -0.0713                       
REMARK   3      S21:  -0.2398 S22:   0.0417 S23:   0.8806                       
REMARK   3      S31:  -0.0060 S32:  -0.4996 S33:   0.0878                       
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): -31.6591   6.9003 -28.0921              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0340 T22:   0.2257                                     
REMARK   3      T33:   0.2140 T12:   0.0518                                     
REMARK   3      T13:  -0.0795 T23:  -0.0887                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2628 L22:   1.2732                                     
REMARK   3      L33:   0.9252 L12:   0.3619                                     
REMARK   3      L13:  -0.3736 L23:  -0.0700                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0222 S12:  -0.0009 S13:   0.0344                       
REMARK   3      S21:  -0.1766 S22:  -0.1234 S23:   0.4311                       
REMARK   3      S31:  -0.0691 S32:  -0.3971 S33:   0.1456                       
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): -20.5899   8.6821 -29.7701              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0739 T22:   0.1199                                     
REMARK   3      T33:   0.1033 T12:   0.0464                                     
REMARK   3      T13:  -0.0718 T23:  -0.0407                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4358 L22:   1.1915                                     
REMARK   3      L33:   0.7379 L12:   0.3428                                     
REMARK   3      L13:  -0.5267 L23:  -0.0904                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0269 S12:  -0.0521 S13:   0.0388                       
REMARK   3      S21:  -0.1303 S22:  -0.1294 S23:   0.2866                       
REMARK   3      S31:  -0.1613 S32:  -0.1551 S33:   0.1025                       
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): -16.6465   3.3452 -28.7126              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0863 T22:   0.1172                                     
REMARK   3      T33:   0.1094 T12:   0.0222                                     
REMARK   3      T13:  -0.0471 T23:  -0.0259                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5078 L22:   0.8384                                     
REMARK   3      L33:   1.1727 L12:  -0.2872                                     
REMARK   3      L13:   0.3847 L23:   0.1435                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0037 S12:   0.0090 S13:  -0.0042                       
REMARK   3      S21:  -0.0859 S22:  -0.0637 S23:   0.1660                       
REMARK   3      S31:  -0.0818 S32:  -0.1661 S33:   0.0675                       
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): -18.7282  -0.1106 -49.6731              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3038 T22:   0.2559                                     
REMARK   3      T33:   0.1395 T12:   0.0612                                     
REMARK   3      T13:  -0.1510 T23:  -0.0165                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3855 L22:   7.6442                                     
REMARK   3      L33:   2.7492 L12:  -4.6561                                     
REMARK   3      L13:  -1.4093 L23:   0.8937                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4355 S12:   0.5045 S13:   0.2226                       
REMARK   3      S21:  -0.7791 S22:  -0.4775 S23:   0.0177                       
REMARK   3      S31:  -0.1448 S32:  -0.2354 S33:   0.0420                       
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): -16.0306  -8.9053 -34.9413              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0951 T22:   0.1226                                     
REMARK   3      T33:   0.1153 T12:  -0.0051                                     
REMARK   3      T13:  -0.0551 T23:  -0.0283                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.8770 L22:   0.9345                                     
REMARK   3      L33:   0.8188 L12:  -0.5436                                     
REMARK   3      L13:   0.0384 L23:   0.0977                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0191 S12:   0.0676 S13:  -0.0859                       
REMARK   3      S21:  -0.1656 S22:  -0.1041 S23:   0.2291                       
REMARK   3      S31:   0.0324 S32:  -0.1583 S33:   0.0850                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE          
REMARK   3   RIDING POSITIONS.                                                  
REMARK   4                                                                      
REMARK   4 4D44 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-OCT-14.                  
REMARK 100 THE PDBE ID CODE IS EBI-57466.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 22-SEP-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : BESSY                              
REMARK 200  BEAMLINE                       : 14.1                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9184                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD (MARMOSAIC 225)                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : IMOSFLM                            
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 254237                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.80                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 33.64                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 6.0                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.5                               
REMARK 200  DATA REDUNDANCY                : 4.0                                
REMARK 200  R MERGE                    (I) : 0.07                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.40                              
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.0                                
REMARK 200  R MERGE FOR SHELL          (I) : 0.62                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.30                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 4ALK                                       
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.89                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.92                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M NA/K-PHOSPHATE PH 6.5,             
REMARK 280  41% 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: 22000 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32420 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -104.7 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 21370 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 32190 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -104.5 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A   -25                                                      
REMARK 465     LYS A   -24                                                      
REMARK 465     HIS A   -23                                                      
REMARK 465     HIS A   -22                                                      
REMARK 465     HIS A   -21                                                      
REMARK 465     HIS A   -20                                                      
REMARK 465     HIS A   -19                                                      
REMARK 465     HIS A   -18                                                      
REMARK 465     PRO A   -17                                                      
REMARK 465     MET A   -16                                                      
REMARK 465     SER A   -15                                                      
REMARK 465     ASP A   -14                                                      
REMARK 465     TYR A   -13                                                      
REMARK 465     ASP A   -12                                                      
REMARK 465     ILE A   -11                                                      
REMARK 465     PRO A   -10                                                      
REMARK 465     THR A    -9                                                      
REMARK 465     THR A    -8                                                      
REMARK 465     GLU A    -7                                                      
REMARK 465     ASN A    -6                                                      
REMARK 465     LEU A    -5                                                      
REMARK 465     TYR A    -4                                                      
REMARK 465     PHE A    -3                                                      
REMARK 465     GLN A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     ALA A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     VAL A     2                                                      
REMARK 465     MET B   -25                                                      
REMARK 465     LYS B   -24                                                      
REMARK 465     HIS B   -23                                                      
REMARK 465     HIS B   -22                                                      
REMARK 465     HIS B   -21                                                      
REMARK 465     HIS B   -20                                                      
REMARK 465     HIS B   -19                                                      
REMARK 465     HIS B   -18                                                      
REMARK 465     PRO B   -17                                                      
REMARK 465     MET B   -16                                                      
REMARK 465     SER B   -15                                                      
REMARK 465     ASP B   -14                                                      
REMARK 465     TYR B   -13                                                      
REMARK 465     ASP B   -12                                                      
REMARK 465     ILE B   -11                                                      
REMARK 465     PRO B   -10                                                      
REMARK 465     THR B    -9                                                      
REMARK 465     THR B    -8                                                      
REMARK 465     GLU B    -7                                                      
REMARK 465     ASN B    -6                                                      
REMARK 465     LEU B    -5                                                      
REMARK 465     TYR B    -4                                                      
REMARK 465     PHE B    -3                                                      
REMARK 465     GLN B    -2                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     ALA B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     VAL B     2                                                      
REMARK 465     MET C   -25                                                      
REMARK 465     LYS C   -24                                                      
REMARK 465     HIS C   -23                                                      
REMARK 465     HIS C   -22                                                      
REMARK 465     HIS C   -21                                                      
REMARK 465     HIS C   -20                                                      
REMARK 465     HIS C   -19                                                      
REMARK 465     HIS C   -18                                                      
REMARK 465     PRO C   -17                                                      
REMARK 465     MET C   -16                                                      
REMARK 465     SER C   -15                                                      
REMARK 465     ASP C   -14                                                      
REMARK 465     TYR C   -13                                                      
REMARK 465     ASP C   -12                                                      
REMARK 465     ILE C   -11                                                      
REMARK 465     PRO C   -10                                                      
REMARK 465     THR C    -9                                                      
REMARK 465     THR C    -8                                                      
REMARK 465     GLU C    -7                                                      
REMARK 465     ASN C    -6                                                      
REMARK 465     LEU C    -5                                                      
REMARK 465     TYR C    -4                                                      
REMARK 465     PHE C    -3                                                      
REMARK 465     GLN C    -2                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     ALA C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     VAL C     2                                                      
REMARK 465     MET D   -25                                                      
REMARK 465     LYS D   -24                                                      
REMARK 465     HIS D   -23                                                      
REMARK 465     HIS D   -22                                                      
REMARK 465     HIS D   -21                                                      
REMARK 465     HIS D   -20                                                      
REMARK 465     HIS D   -19                                                      
REMARK 465     HIS D   -18                                                      
REMARK 465     PRO D   -17                                                      
REMARK 465     MET D   -16                                                      
REMARK 465     SER D   -15                                                      
REMARK 465     ASP D   -14                                                      
REMARK 465     TYR D   -13                                                      
REMARK 465     ASP D   -12                                                      
REMARK 465     ILE D   -11                                                      
REMARK 465     PRO D   -10                                                      
REMARK 465     THR D    -9                                                      
REMARK 465     THR D    -8                                                      
REMARK 465     GLU D    -7                                                      
REMARK 465     ASN D    -6                                                      
REMARK 465     LEU D    -5                                                      
REMARK 465     TYR D    -4                                                      
REMARK 465     PHE D    -3                                                      
REMARK 465     GLN D    -2                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     ALA D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     VAL D     2                                                      
REMARK 465     MET E   -25                                                      
REMARK 465     LYS E   -24                                                      
REMARK 465     HIS E   -23                                                      
REMARK 465     HIS E   -22                                                      
REMARK 465     HIS E   -21                                                      
REMARK 465     HIS E   -20                                                      
REMARK 465     HIS E   -19                                                      
REMARK 465     HIS E   -18                                                      
REMARK 465     PRO E   -17                                                      
REMARK 465     MET E   -16                                                      
REMARK 465     SER E   -15                                                      
REMARK 465     ASP E   -14                                                      
REMARK 465     TYR E   -13                                                      
REMARK 465     ASP E   -12                                                      
REMARK 465     ILE E   -11                                                      
REMARK 465     PRO E   -10                                                      
REMARK 465     THR E    -9                                                      
REMARK 465     THR E    -8                                                      
REMARK 465     GLU E    -7                                                      
REMARK 465     ASN E    -6                                                      
REMARK 465     LEU E    -5                                                      
REMARK 465     TYR E    -4                                                      
REMARK 465     PHE E    -3                                                      
REMARK 465     GLN E    -2                                                      
REMARK 465     GLY E    -1                                                      
REMARK 465     ALA E     0                                                      
REMARK 465     MET E     1                                                      
REMARK 465     VAL E     2                                                      
REMARK 465     MET F   -25                                                      
REMARK 465     LYS F   -24                                                      
REMARK 465     HIS F   -23                                                      
REMARK 465     HIS F   -22                                                      
REMARK 465     HIS F   -21                                                      
REMARK 465     HIS F   -20                                                      
REMARK 465     HIS F   -19                                                      
REMARK 465     HIS F   -18                                                      
REMARK 465     PRO F   -17                                                      
REMARK 465     MET F   -16                                                      
REMARK 465     SER F   -15                                                      
REMARK 465     ASP F   -14                                                      
REMARK 465     TYR F   -13                                                      
REMARK 465     ASP F   -12                                                      
REMARK 465     ILE F   -11                                                      
REMARK 465     PRO F   -10                                                      
REMARK 465     THR F    -9                                                      
REMARK 465     THR F    -8                                                      
REMARK 465     GLU F    -7                                                      
REMARK 465     ASN F    -6                                                      
REMARK 465     LEU F    -5                                                      
REMARK 465     TYR F    -4                                                      
REMARK 465     PHE F    -3                                                      
REMARK 465     GLN F    -2                                                      
REMARK 465     GLY F    -1                                                      
REMARK 465     ALA F     0                                                      
REMARK 465     MET F     1                                                      
REMARK 465     VAL F     2                                                      
REMARK 465     MET G   -25                                                      
REMARK 465     LYS G   -24                                                      
REMARK 465     HIS G   -23                                                      
REMARK 465     HIS G   -22                                                      
REMARK 465     HIS G   -21                                                      
REMARK 465     HIS G   -20                                                      
REMARK 465     HIS G   -19                                                      
REMARK 465     HIS G   -18                                                      
REMARK 465     PRO G   -17                                                      
REMARK 465     MET G   -16                                                      
REMARK 465     SER G   -15                                                      
REMARK 465     ASP G   -14                                                      
REMARK 465     TYR G   -13                                                      
REMARK 465     ASP G   -12                                                      
REMARK 465     ILE G   -11                                                      
REMARK 465     PRO G   -10                                                      
REMARK 465     THR G    -9                                                      
REMARK 465     THR G    -8                                                      
REMARK 465     GLU G    -7                                                      
REMARK 465     ASN G    -6                                                      
REMARK 465     LEU G    -5                                                      
REMARK 465     TYR G    -4                                                      
REMARK 465     PHE G    -3                                                      
REMARK 465     GLN G    -2                                                      
REMARK 465     GLY G    -1                                                      
REMARK 465     ALA G     0                                                      
REMARK 465     MET G     1                                                      
REMARK 465     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   OE1B GLU A    42     NH2  ARG A    45              2.02            
REMARK 500   OD2B ASP A   101     O    HOH A  2092              2.02            
REMARK 500   OE1B GLU B    42     O    HOH B  2045              2.18            
REMARK 500   OE2B GLU B    42     O    HOH B  2046              2.05            
REMARK 500   OD2B ASP B   101     O    HOH B  2100              1.97            
REMARK 500   OD2B ASP C   101     O    HOH C  2091              1.99            
REMARK 500   OE1  GLU D   100     O    HOH D  2054              1.96            
REMARK 500   NH2A ARG D   194     O    HOH D  2096              2.13            
REMARK 500   OE2A GLU E    42     O    HOH A  2111              1.97            
REMARK 500   OE1B GLU E    42     NH2  ARG E    45              2.09            
REMARK 500   OD2B ASP E   101     O    HOH E  2090              2.04            
REMARK 500   OD1B ASP G   101     O    HOH G  2077              1.22            
REMARK 500   OD2B ASP G   101     O    HOH G  2073              1.86            
REMARK 500   NH1B ARG G   103     O    GLU G  1260              2.16            
REMARK 500   NE2A GLN G   155     O    HOH E  2165              2.17            
REMARK 500   O    HOH A  2044     O    HOH A  2046              1.90            
REMARK 500   O    HOH A  2049     O    HOH A  2209              1.95            
REMARK 500   O    HOH B  2013     O    HOH B  2049              2.12            
REMARK 500   O    HOH B  2179     O    HOH B  2181              2.14            
REMARK 500   O    HOH B  2179     O    HOH B  2180              2.18            
REMARK 500   O    HOH C  2048     O    HOH C  2118              2.10            
REMARK 500   O    HOH E  2075     O    HOH E  2184              1.93            
REMARK 500   O    HOH H  2060     O    HOH H  2061              1.94            
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   OE2  GLU G    42     O    HOH A  2072     2565     2.04            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG C  43   NE  -  CZ  -  NH1 ANGL. DEV. =  -5.5 DEGREES          
REMARK 500    ARG C  43   NE  -  CZ  -  NH2 ANGL. DEV. =   3.7 DEGREES          
REMARK 500    LYS D 228   CD  -  CE  -  NZ  ANGL. DEV. = -15.0 DEGREES          
REMARK 500    ARG E  18   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500    ARG E  43   NE  -  CZ  -  NH1 ANGL. DEV. =  -4.3 DEGREES          
REMARK 500    ARG G  43   NE  -  CZ  -  NH1 ANGL. DEV. =  -4.2 DEGREES          
REMARK 500    LYS H 228   CD  -  CE  -  NZ  ANGL. DEV. = -15.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ARG A  40      -62.59   -108.19                                   
REMARK 500    SER A 122      -55.66   -124.25                                   
REMARK 500    ASN A 156      -20.77     78.73                                   
REMARK 500    ASN A 158     -118.08     42.59                                   
REMARK 500    ASP A 249       25.13   -154.67                                   
REMARK 500    ASN B  16     -169.40   -163.47                                   
REMARK 500    SER B 122      -55.51   -133.01                                   
REMARK 500    ASN B 156      -20.28     74.58                                   
REMARK 500    ASN B 158     -118.89     44.43                                   
REMARK 500    VAL B 248       79.44   -107.32                                   
REMARK 500    ASP B 249       23.94   -149.63                                   
REMARK 500    SER C 122      -60.24   -121.12                                   
REMARK 500    ASN C 156      -26.37     70.05                                   
REMARK 500    ASN C 158     -116.41     47.12                                   
REMARK 500    ASP C 249       25.71   -150.21                                   
REMARK 500    ASN D  16     -169.19   -161.53                                   
REMARK 500    SER D 122      -59.68   -128.52                                   
REMARK 500    ASN D 156      -36.60     71.12                                   
REMARK 500    ASN D 158     -117.61     48.09                                   
REMARK 500    ASP D 249       21.41   -151.69                                   
REMARK 500    ARG E  40      -62.32   -104.49                                   
REMARK 500    SER E 122      -60.45   -124.52                                   
REMARK 500    ASN E 156      -25.19     74.57                                   
REMARK 500    ASN E 158     -120.10     44.46                                   
REMARK 500    ASP E 249       26.36   -150.16                                   
REMARK 500    SER F 122      -58.03   -130.79                                   
REMARK 500    ASN F 156      -20.26     74.54                                   
REMARK 500    ASN F 158     -120.70     46.35                                   
REMARK 500    VAL F 248       78.71   -108.63                                   
REMARK 500    ASP F 249       23.39   -148.94                                   
REMARK 500    ARG G  40      -62.39   -100.93                                   
REMARK 500    SER G 122      -61.46   -126.63                                   
REMARK 500    ASN G 156      -28.03     73.67                                   
REMARK 500    ASN G 158     -116.93     48.16                                   
REMARK 500    VAL G 248       78.88   -113.98                                   
REMARK 500    ASP G 249       25.99   -149.90                                   
REMARK 500    ARG H  40      -61.81    -90.31                                   
REMARK 500    ARG H  45      -82.66    -53.92                                   
REMARK 500    LYS H  46      -57.25    -24.07                                   
REMARK 500    ASN H  56       44.15    -96.28                                   
REMARK 500    SER H 122      -57.36   -128.65                                   
REMARK 500    ASN H 156      -36.06     73.88                                   
REMARK 500    ASN H 158     -119.39     49.39                                   
REMARK 500    ASP H 249       20.65   -148.53                                   
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 C2026        DISTANCE =  5.40 ANGSTROMS                       
REMARK 525    HOH E2072        DISTANCE =  5.38 ANGSTROMS                       
REMARK 525    HOH F2070        DISTANCE =  5.23 ANGSTROMS                       
REMARK 525    HOH F2168        DISTANCE =  5.49 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 B1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 C1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 C1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 E1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 E1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 G1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 G1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU B1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD A1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU C1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU E1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD B1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU F1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD C1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD G1259                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GLU G1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD E1260                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD F1258                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD G1261                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MRD H1257                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP A 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP B 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP C 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP D 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP E 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP F 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP G 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP H 400                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE JA3 A1259                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4D41   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-HEXYL-2-(4-NITROPHENOXY)PHENOL                           
REMARK 900 RELATED ID: 4D42   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 4-FLUORO-5-HEXYL-2-PHENOXYPHENOL                           
REMARK 900 RELATED ID: 4D43   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 2-(2-CHLORO-4-NITROPHENOXY)-5-ETHYL-4-                     
REMARK 900  FLUOROPHENOL                                                        
REMARK 900 RELATED ID: 4D45   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF S. AUREUS FABI IN COMPLEX WITH                 
REMARK 900  NADP AND 5-BROMO-2-(4-CHLORO-2-HYDROXYPHENOXY)                      
REMARK 900  BENZONITRILE                                                        
REMARK 900 RELATED ID: 4D46   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF E. COLI FABI IN COMPLEX WITH                   
REMARK 900  NAD AND 5-BROMO-2-(4-CHLORO-2-HYDROXYPHENOXY)                       
REMARK 900  BENZONITRILE                                                        
DBREF  4D44 A    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 B    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 C    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 D    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 E    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 F    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 G    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
DBREF  4D44 H    1   256  UNP    Q7A6D8   Q7A6D8_STAAN     1    256             
SEQADV 4D44 MET A  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS A  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS A  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS A  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS A  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS A  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS A  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS A  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO A  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET A  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER A  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP A  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR A  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP A  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE A  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO A  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR A   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR A   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU A   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN A   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU A   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR A   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE A   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN A   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY A   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA A    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL A    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET B  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS B  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS B  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS B  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS B  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS B  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS B  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS B  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO B  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET B  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER B  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP B  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR B  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP B  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE B  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO B  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR B   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR B   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU B   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN B   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU B   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR B   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE B   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN B   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY B   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA B    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL B    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET C  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS C  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS C  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS C  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS C  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS C  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS C  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS C  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO C  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET C  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER C  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP C  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR C  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP C  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE C  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO C  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR C   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR C   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU C   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN C   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU C   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR C   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE C   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN C   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY C   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA C    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL C    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET D  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS D  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS D  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS D  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS D  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS D  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS D  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS D  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO D  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET D  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER D  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP D  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR D  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP D  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE D  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO D  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR D   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR D   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU D   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN D   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU D   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR D   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE D   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN D   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY D   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA D    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL D    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET E  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS E  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS E  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS E  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS E  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS E  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS E  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS E  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO E  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET E  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER E  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP E  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR E  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP E  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE E  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO E  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR E   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR E   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU E   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN E   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU E   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR E   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE E   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN E   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY E   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA E    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL E    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET F  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS F  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS F  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS F  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS F  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS F  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS F  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS F  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO F  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET F  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER F  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP F  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR F  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP F  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE F  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO F  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR F   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR F   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU F   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN F   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU F   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR F   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE F   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN F   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY F   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA F    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL F    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET G  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS G  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS G  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS G  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS G  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS G  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS G  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS G  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO G  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET G  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER G  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP G  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR G  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP G  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE G  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO G  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR G   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR G   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU G   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN G   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU G   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR G   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE G   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN G   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY G   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA G    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 VAL G    2  UNP  Q7A6D8    LEU     2 ENGINEERED MUTATION            
SEQADV 4D44 MET H  -25  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LYS H  -24  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS H  -23  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS H  -22  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS H  -21  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS H  -20  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS H  -19  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 HIS H  -18  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO H  -17  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 MET H  -16  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 SER H  -15  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP H  -14  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR H  -13  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASP H  -12  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ILE H  -11  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PRO H  -10  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR H   -9  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 THR H   -8  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLU H   -7  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ASN H   -6  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 LEU H   -5  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 TYR H   -4  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 PHE H   -3  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLN H   -2  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 GLY H   -1  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 ALA H    0  UNP  Q7A6D8              EXPRESSION TAG                 
SEQADV 4D44 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    JA3  B1257      18                                                       
HET    JA3  C1257      18                                                       
HET    JA3  C1258      18                                                       
HET    JA3  E1257      18                                                       
HET    JA3  E1258      18                                                       
HET    JA3  G1257      18                                                       
HET    JA3  G1258      18                                                       
HET    GLU  B1258      10                                                       
HET    MRD  A1257       8                                                       
HET    GLU  C1259      10                                                       
HET    GLU  E1259      10                                                       
HET    MRD  B1259       8                                                       
HET    GLU  F1257      10                                                       
HET    MRD  C1260       8                                                       
HET    MRD  G1259       8                                                       
HET    GLU  G1260      10                                                       
HET    MRD  E1260       8                                                       
HET    MRD  F1258       8                                                       
HET    MRD  G1261       8                                                       
HET    MRD  H1257       8                                                       
HET    GLU  H1259      10                                                       
HET    NAP  A 400      48                                                       
HET    NAP  B 400      48                                                       
HET    NAP  C 400      48                                                       
HET    NAP  D 400      48                                                       
HET    NAP  E 400      48                                                       
HET    NAP  F 400      48                                                       
HET    NAP  G 400      48                                                       
HET    NAP  H 400      48                                                       
HET    JA3  A1259      18                                                       
HETNAM     NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE                           
HETNAM   2 NAP  PHOSPHATE                                                       
HETNAM     JA3 5-ETHYL-4-FLUORO-2-[(2-FLUOROPYRIDIN-3-YL)                       
HETNAM   2 JA3  OXY]PHENOL                                                      
HETNAM     MRD (4R)-2-METHYLPENTANE-2,4-DIOL                                    
HETNAM     GLU GLUTAMIC ACID                                                    
HETSYN     NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE                       
FORMUL   9  NAP    8(C21 H28 N7 O17 P3)                                         
FORMUL  10  JA3    8(C13 H11 F2 N O2)                                           
FORMUL  11  MRD    8(C6 H14 O2)                                                 
FORMUL  12  GLU    6(C5 H9 N O4)                                                
FORMUL  13  HOH   *1343(H2 O)                                                   
HELIX    1   1 SER A   19  LEU A   31  1                                  13    
HELIX    2   2 LYS A   41  LEU A   52  1                                  12    
HELIX    3   3 GLU A   53  LEU A   55  5                                   3    
HELIX    4   4 SER A   69  GLY A   85  1                                  17    
HELIX    5   5 ASN A   98  LEU A  102  5                                   5    
HELIX    6   6 ARG A  105  THR A  109  5                                   5    
HELIX    7   7 SER A  110  SER A  122  1                                  13    
HELIX    8   8 SER A  122  LYS A  133  1                                  12    
HELIX    9   9 LYS A  134  MET A  136  5                                   3    
HELIX   10  10 TYR A  147  GLU A  151  5                                   5    
HELIX   11  11 ASN A  158  GLY A  179  1                                  22    
HELIX   12  12 LEU A  196  VAL A  201  5                                   6    
HELIX   13  13 GLY A  203  ALA A  215  1                                  13    
HELIX   14  14 ASP A  222  SER A  235  1                                  14    
HELIX   15  15 ASP A  236  SER A  239  5                                   4    
HELIX   16  16 GLY A  251  ALA A  254  5                                   4    
HELIX   17  17 SER B   19  LEU B   31  1                                  13    
HELIX   18  18 LYS B   41  LEU B   52  1                                  12    
HELIX   19  19 GLU B   53  LEU B   55  5                                   3    
HELIX   20  20 SER B   69  GLY B   85  1                                  17    
HELIX   21  21 ASN B   98  LEU B  102  5                                   5    
HELIX   22  22 ARG B  105  THR B  109  5                                   5    
HELIX   23  23 SER B  110  SER B  122  1                                  13    
HELIX   24  24 SER B  122  LYS B  134  1                                  13    
HELIX   25  25 TYR B  147  GLU B  151  5                                   5    
HELIX   26  26 TYR B  157  GLY B  179  1                                  23    
HELIX   27  27 LEU B  196  VAL B  201  5                                   6    
HELIX   28  28 GLY B  203  ALA B  215  1                                  13    
HELIX   29  29 ASP B  222  SER B  235  1                                  14    
HELIX   30  30 ASP B  236  SER B  239  5                                   4    
HELIX   31  31 GLY B  251  ALA B  254  5                                   4    
HELIX   32  32 SER C   19  LEU C   31  1                                  13    
HELIX   33  33 LYS C   41  GLU C   53  1                                  13    
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  LEU D   52  1                                  12    
HELIX   49  49 GLU D   53  LEU D   55  5                                   3    
HELIX   50  50 SER D   69  GLY D   85  1                                  17    
HELIX   51  51 ASN D   98  LEU D  102  5                                   5    
HELIX   52  52 ARG D  105  THR D  109  5                                   5    
HELIX   53  53 SER D  110  SER D  122  1                                  13    
HELIX   54  54 SER D  122  LYS D  134  1                                  13    
HELIX   55  55 TYR D  147  GLU D  151  5                                   5    
HELIX   56  56 ASN D  158  GLY D  179  1                                  22    
HELIX   57  57 LEU D  196  VAL D  201  5                                   6    
HELIX   58  58 GLY D  203  ALA D  215  1                                  13    
HELIX   59  59 ASP D  222  SER D  235  1                                  14    
HELIX   60  60 ASP D  236  SER D  239  5                                   4    
HELIX   61  61 GLY D  251  ALA D  254  5                                   4    
HELIX   62  62 SER E   19  LEU E   31  1                                  13    
HELIX   63  63 LYS E   41  LEU E   52  1                                  12    
HELIX   64  64 GLU E   53  LEU E   55  5                                   3    
HELIX   65  65 SER E   69  GLY E   85  1                                  17    
HELIX   66  66 ASN E   98  LEU E  102  5                                   5    
HELIX   67  67 ARG E  105  THR E  109  5                                   5    
HELIX   68  68 SER E  110  SER E  122  1                                  13    
HELIX   69  69 SER E  122  LYS E  134  1                                  13    
HELIX   70  70 TYR E  147  GLU E  151  5                                   5    
HELIX   71  71 TYR E  157  GLY E  179  1                                  23    
HELIX   72  72 LEU E  196  VAL E  201  5                                   6    
HELIX   73  73 GLY E  203  ALA E  215  1                                  13    
HELIX   74  74 ASP E  222  SER E  235  1                                  14    
HELIX   75  75 ASP E  236  SER E  239  5                                   4    
HELIX   76  76 GLY E  251  ALA E  254  5                                   4    
HELIX   77  77 SER F   19  LEU F   31  1                                  13    
HELIX   78  78 LYS F   41  LEU F   52  1                                  12    
HELIX   79  79 GLU F   53  LEU F   55  5                                   3    
HELIX   80  80 SER F   69  GLY F   85  1                                  17    
HELIX   81  81 ASN F   98  LEU F  102  5                                   5    
HELIX   82  82 ARG F  105  THR F  109  5                                   5    
HELIX   83  83 SER F  110  SER F  122  1                                  13    
HELIX   84  84 SER F  122  LYS F  134  1                                  13    
HELIX   85  85 TYR F  147  GLU F  151  5                                   5    
HELIX   86  86 TYR F  157  GLY F  179  1                                  23    
HELIX   87  87 LEU F  196  VAL F  201  5                                   6    
HELIX   88  88 GLY F  203  ALA F  215  1                                  13    
HELIX   89  89 ASP F  222  SER F  235  1                                  14    
HELIX   90  90 ASP F  236  SER F  239  5                                   4    
HELIX   91  91 GLY F  251  ALA F  254  5                                   4    
HELIX   92  92 SER G   19  LEU G   31  1                                  13    
HELIX   93  93 LYS G   41  GLU G   53  1                                  13    
HELIX   94  94 SER G   69  GLY G   85  1                                  17    
HELIX   95  95 ASN G   98  LEU G  102  5                                   5    
HELIX   96  96 ARG G  105  THR G  109  5                                   5    
HELIX   97  97 SER G  110  SER G  122  1                                  13    
HELIX   98  98 SER G  122  LYS G  134  1                                  13    
HELIX   99  99 TYR G  147  GLU G  151  5                                   5    
HELIX  100 100 TYR G  157  GLY G  179  1                                  23    
HELIX  101 101 LEU G  196  VAL G  201  5                                   6    
HELIX  102 102 GLY G  203  ALA G  215  1                                  13    
HELIX  103 103 ASP G  222  SER G  235  1                                  14    
HELIX  104 104 ASP G  236  SER G  239  5                                   4    
HELIX  105 105 GLY G  251  ALA G  254  5                                   4    
HELIX  106 106 SER H   19  LEU H   31  1                                  13    
HELIX  107 107 LYS H   41  LEU H   52  1                                  12    
HELIX  108 108 GLU H   53  LEU H   55  5                                   3    
HELIX  109 109 SER H   69  GLY H   85  1                                  17    
HELIX  110 110 ASN H   98  LEU H  102  5                                   5    
HELIX  111 111 ARG H  105  THR H  109  5                                   5    
HELIX  112 112 SER H  110  SER H  122  1                                  13    
HELIX  113 113 SER H  122  LYS H  133  1                                  12    
HELIX  114 114 LYS H  134  MET H  136  5                                   3    
HELIX  115 115 TYR H  147  GLU H  151  5                                   5    
HELIX  116 116 ASN H  158  GLY H  179  1                                  22    
HELIX  117 117 LEU H  196  VAL H  201  5                                   6    
HELIX  118 118 GLY H  203  ALA H  215  1                                  13    
HELIX  119 119 ASP H  222  SER H  235  1                                  14    
HELIX  120 120 ASP H  236  SER H  239  5                                   4    
HELIX  121 121 GLY H  251  ALA H  254  5                                   4    
SHEET    1  AA 7 LEU A  62  GLN A  64  0                                        
SHEET    2  AA 7 LYS A  34  TYR A  39  1  O  PHE A  37   N  TYR A  63           
SHEET    3  AA 7 THR A   8  MET A  12  1  O  TYR A   9   N  VAL A  36           
SHEET    4  AA 7 GLY A  89  HIS A  92  1  O  GLY A  89   N  VAL A  10           
SHEET    5  AA 7 GLY A 140  THR A 146  1  O  SER A 141   N  VAL A  90           
SHEET    6  AA 7 ILE A 183  ALA A 190  1  O  ARG A 184   N  ILE A 142           
SHEET    7  AA 7 ASN A 245  VAL A 248  1  O  ILE A 246   N  SER A 189           
SHEET    1  BA 7 LEU B  62  GLN B  64  0                                        
SHEET    2  BA 7 LYS B  34  TYR B  39  1  O  PHE B  37   N  TYR B  63           
SHEET    3  BA 7 THR B   8  MET B  12  1  O  TYR B   9   N  VAL B  36           
SHEET    4  BA 7 GLY B  89  HIS B  92  1  O  GLY B  89   N  VAL B  10           
SHEET    5  BA 7 GLY B 140  THR B 146  1  O  SER B 141   N  VAL B  90           
SHEET    6  BA 7 ILE B 183  ALA B 190  1  O  ARG B 184   N  ILE B 142           
SHEET    7  BA 7 ASN B 245  VAL B 248  1  O  ILE B 246   N  SER B 189           
SHEET    1  CA 7 LEU C  62  GLN C  64  0                                        
SHEET    2  CA 7 LYS C  34  TYR C  39  1  O  PHE C  37   N  TYR C  63           
SHEET    3  CA 7 THR C   8  MET C  12  1  O  TYR C   9   N  VAL C  36           
SHEET    4  CA 7 GLY C  89  HIS C  92  1  O  GLY C  89   N  VAL C  10           
SHEET    5  CA 7 GLY C 140  THR C 146  1  O  SER C 141   N  VAL C  90           
SHEET    6  CA 7 ILE C 183  ALA C 190  1  O  ARG C 184   N  ILE C 142           
SHEET    7  CA 7 ASN C 245  VAL C 248  1  O  ILE C 246   N  SER C 189           
SHEET    1  DA 7 LEU D  62  GLN D  64  0                                        
SHEET    2  DA 7 LYS D  34  TYR D  39  1  O  PHE D  37   N  TYR D  63           
SHEET    3  DA 7 THR D   8  MET D  12  1  O  TYR D   9   N  VAL D  36           
SHEET    4  DA 7 GLY D  89  HIS D  92  1  O  GLY D  89   N  VAL D  10           
SHEET    5  DA 7 GLY D 140  THR D 146  1  O  SER D 141   N  VAL D  90           
SHEET    6  DA 7 ILE D 183  ALA D 190  1  O  ARG D 184   N  ILE D 142           
SHEET    7  DA 7 ASN D 245  VAL D 248  1  O  ILE D 246   N  SER D 189           
SHEET    1  EA 7 LEU E  62  GLN E  64  0                                        
SHEET    2  EA 7 LYS E  34  TYR E  39  1  O  PHE E  37   N  TYR E  63           
SHEET    3  EA 7 THR E   8  MET E  12  1  O  TYR E   9   N  VAL E  36           
SHEET    4  EA 7 GLY E  89  HIS E  92  1  O  GLY E  89   N  VAL E  10           
SHEET    5  EA 7 GLY E 140  THR E 146  1  O  SER E 141   N  VAL E  90           
SHEET    6  EA 7 ILE E 183  ALA E 190  1  O  ARG E 184   N  ILE E 142           
SHEET    7  EA 7 ASN E 245  VAL E 248  1  O  ILE E 246   N  SER E 189           
SHEET    1  FA 7 LEU F  62  GLN F  64  0                                        
SHEET    2  FA 7 LYS F  34  TYR F  39  1  O  PHE F  37   N  TYR F  63           
SHEET    3  FA 7 THR F   8  MET F  12  1  O  TYR F   9   N  VAL F  36           
SHEET    4  FA 7 GLY F  89  HIS F  92  1  O  GLY F  89   N  VAL F  10           
SHEET    5  FA 7 GLY F 140  THR F 146  1  O  SER F 141   N  VAL F  90           
SHEET    6  FA 7 ILE F 183  ALA F 190  1  O  ARG F 184   N  ILE F 142           
SHEET    7  FA 7 ASN F 245  VAL F 248  1  O  ILE F 246   N  SER F 189           
SHEET    1  GA 7 LEU G  62  GLN G  64  0                                        
SHEET    2  GA 7 LYS G  34  TYR G  39  1  O  PHE G  37   N  TYR G  63           
SHEET    3  GA 7 THR G   8  MET G  12  1  O  TYR G   9   N  VAL G  36           
SHEET    4  GA 7 GLY G  89  HIS G  92  1  O  GLY G  89   N  VAL G  10           
SHEET    5  GA 7 GLY G 140  THR G 146  1  O  SER G 141   N  VAL G  90           
SHEET    6  GA 7 ILE G 183  ALA G 190  1  O  ARG G 184   N  ILE G 142           
SHEET    7  GA 7 ASN G 245  VAL G 248  1  O  ILE G 246   N  SER G 189           
SHEET    1  HA 7 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  9 ALA B  95  LEU B 102  TYR B 147  TYR B 157                    
SITE     2 AC1  9 LYS B 164  SER B 197  ALA B 198  PHE B 204                    
SITE     3 AC1  9 NAP B 400                                                     
SITE     1 AC2  9 ALA C  95  LEU C 102  TYR C 157  MET C 160                    
SITE     2 AC2  9 LYS C 164  SER C 197  ALA C 198  PHE C 204                    
SITE     3 AC2  9 NAP C 400                                                     
SITE     1 AC3 10 ALA D  95  TYR D 147  TYR D 157  MET D 160                    
SITE     2 AC3 10 LYS D 164  SER D 197  ALA D 198  VAL D 201                    
SITE     3 AC3 10 PHE D 204  NAP D 400                                          
SITE     1 AC4  9 ALA E  95  LEU E 102  TYR E 147  TYR E 157                    
SITE     2 AC4  9 LYS E 164  SER E 197  ALA E 198  PHE E 204                    
SITE     3 AC4  9 NAP E 400                                                     
SITE     1 AC5  9 ALA F  95  LEU F 102  TYR F 147  TYR F 157                    
SITE     2 AC5  9 LYS F 164  SER F 197  ALA F 198  PHE F 204                    
SITE     3 AC5  9 NAP F 400                                                     
SITE     1 AC6  9 ALA G  95  LEU G 102  TYR G 147  TYR G 157                    
SITE     2 AC6  9 LYS G 164  SER G 197  ALA G 198  PHE G 204                    
SITE     3 AC6  9 NAP G 400                                                     
SITE     1 AC7  9 ALA H  95  TYR H 147  TYR H 157  LYS H 164                    
SITE     2 AC7  9 SER H 197  ALA H 198  VAL H 201  PHE H 204                    
SITE     3 AC7  9 NAP H 400                                                     
SITE     1 AC8  5 ARG B 103  GLY B 203  PHE B 204  ASN B 205                    
SITE     2 AC8  5 LYS G 199                                                     
SITE     1 AC9  9 LYS A   7  ASP A  88  GLY A 140  ASN A 182                    
SITE     2 AC9  9 ARG A 184  LEU A 234  SER A 235  ASP A 236                    
SITE     3 AC9  9 HOH A2200                                                     
SITE     1 BC1  6 ARG C 103  GLY C 202  GLY C 203  PHE C 204                    
SITE     2 BC1  6 ASN C 205  LYS F 199                                          
SITE     1 BC2  4 ARG E 103  GLY E 203  ASN E 205  THR E 206                    
SITE     1 BC3 10 LYS B   7  ASP B  88  GLY B 140  ASN B 182                    
SITE     2 BC3 10 ARG B 184  LEU B 234  SER B 235  ASP B 236                    
SITE     3 BC3 10 HOH B2091  HOH B2171                                          
SITE     1 BC4  5 LYS C 199  ARG F 103  GLY F 203  ASN F 205                    
SITE     2 BC4  5 THR F 206                                                     
SITE     1 BC5 10 LYS C   7  ASP C  88  GLY C 140  ASN C 182                    
SITE     2 BC5 10 ARG C 184  LEU C 234  SER C 235  ASP C 236                    
SITE     3 BC5 10 HOH C2081  HOH C2159                                          
SITE     1 BC6 10 LYS D   7  ASP D  88  GLY D 140  ASN D 182                    
SITE     2 BC6 10 ARG D 184  LEU D 234  SER D 235  ASP D 236                    
SITE     3 BC6 10 HOH D2048  HOH D2114                                          
SITE     1 BC7  6 LYS B 199  ARG G 103  GLY G 203  PHE G 204                    
SITE     2 BC7  6 ASN G 205  THR G 206                                          
SITE     1 BC8  8 ASP E  88  GLY E 140  ASN E 182  ARG E 184                    
SITE     2 BC8  8 LEU E 234  SER E 235  ASP E 236  HOH E2176                    
SITE     1 BC9 10 LYS F   7  ASP F  88  GLY F 140  ASN F 182                    
SITE     2 BC9 10 ARG F 184  LEU F 234  SER F 235  ASP F 236                    
SITE     3 BC9 10 HOH F2076  HOH F2152                                          
SITE     1 CC1 10 LYS G   7  ASP G  88  GLY G 140  ASN G 182                    
SITE     2 CC1 10 ARG G 184  LEU G 234  SER G 235  ASP G 236                    
SITE     3 CC1 10 HOH G2065  HOH G2147                                          
SITE     1 CC2  9 ASP H  88  GLY H 140  ASN H 182  ARG H 184                    
SITE     2 CC2  9 LEU H 234  SER H 235  ASP H 236  HOH H2052                    
SITE     3 CC2  9 HOH H2121                                                     
SITE     1 CC3 31 GLY A  13  ILE A  14  ALA A  15  SER A  19                    
SITE     2 CC3 31 ILE A  20  ARG A  40  LYS A  41  SER A  44                    
SITE     3 CC3 31 ILE A  65  ASP A  66  VAL A  67  SER A  93                    
SITE     4 CC3 31 ILE A  94  ALA A  95  ILE A 120  THR A 145                    
SITE     5 CC3 31 THR A 146  TYR A 147  LYS A 164  ALA A 190                    
SITE     6 CC3 31 GLY A 191  PRO A 192  ILE A 193  THR A 195                    
SITE     7 CC3 31 SER A 197  JA3 A1259  HOH A2006  HOH A2007                    
SITE     8 CC3 31 HOH A2008  HOH A2010  HOH A2218                               
SITE     1 CC4 31 GLY B  13  ILE B  14  ALA B  15  SER B  19                    
SITE     2 CC4 31 ILE B  20  ARG B  40  LYS B  41  SER B  44                    
SITE     3 CC4 31 ILE B  65  ASP B  66  VAL B  67  SER B  93                    
SITE     4 CC4 31 ILE B  94  ALA B  95  ILE B 120  THR B 145                    
SITE     5 CC4 31 THR B 146  TYR B 147  LYS B 164  ALA B 190                    
SITE     6 CC4 31 GLY B 191  PRO B 192  ILE B 193  THR B 195                    
SITE     7 CC4 31 SER B 197  JA3 B1257  HOH B2010  HOH B2011                    
SITE     8 CC4 31 HOH B2012  HOH B2014  HOH B2190                               
SITE     1 CC5 32 GLY C  13  ILE C  14  ALA C  15  SER C  19                    
SITE     2 CC5 32 ILE C  20  ARG C  40  LYS C  41  SER C  44                    
SITE     3 CC5 32 ILE C  65  ASP C  66  VAL C  67  SER C  93                    
SITE     4 CC5 32 ILE C  94  ALA C  95  ILE C 120  THR C 145                    
SITE     5 CC5 32 THR C 146  TYR C 147  LYS C 164  ALA C 190                    
SITE     6 CC5 32 GLY C 191  PRO C 192  ILE C 193  THR C 195                    
SITE     7 CC5 32 SER C 197  JA3 C1257  HOH C2006  HOH C2007                    
SITE     8 CC5 32 HOH C2008  HOH C2010  HOH C2083  HOH C2168                    
SITE     1 CC6 32 JA3 C1258  GLY D  13  ILE D  14  ALA D  15                    
SITE     2 CC6 32 SER D  19  ILE D  20  ARG D  40  LYS D  41                    
SITE     3 CC6 32 SER D  44  ILE D  65  ASP D  66  VAL D  67                    
SITE     4 CC6 32 SER D  93  ILE D  94  ALA D  95  ILE D 120                    
SITE     5 CC6 32 THR D 145  THR D 146  TYR D 147  LYS D 164                    
SITE     6 CC6 32 ALA D 190  GLY D 191  PRO D 192  ILE D 193                    
SITE     7 CC6 32 THR D 195  LEU D 196  SER D 197  HOH D2005                    
SITE     8 CC6 32 HOH D2006  HOH D2007  HOH D2008  HOH D2122                    
SITE     1 CC7 30 HOH A2095  GLY E  13  ILE E  14  ALA E  15                    
SITE     2 CC7 30 SER E  19  ILE E  20  ARG E  40  LYS E  41                    
SITE     3 CC7 30 SER E  44  ILE E  65  ASP E  66  VAL E  67                    
SITE     4 CC7 30 SER E  93  ILE E  94  ALA E  95  ILE E 120                    
SITE     5 CC7 30 THR E 145  THR E 146  LYS E 164  ALA E 190                    
SITE     6 CC7 30 GLY E 191  PRO E 192  ILE E 193  THR E 195                    
SITE     7 CC7 30 SER E 197  JA3 E1257  HOH E2008  HOH E2009                    
SITE     8 CC7 30 HOH E2010  HOH E2011                                          
SITE     1 CC8 31 HOH C2092  JA3 E1258  GLY F  13  ILE F  14                    
SITE     2 CC8 31 ALA F  15  SER F  19  ILE F  20  ARG F  40                    
SITE     3 CC8 31 LYS F  41  SER F  44  ILE F  65  ASP F  66                    
SITE     4 CC8 31 VAL F  67  SER F  93  ILE F  94  ALA F  95                    
SITE     5 CC8 31 ILE F 120  THR F 145  THR F 146  TYR F 147                    
SITE     6 CC8 31 LYS F 164  ALA F 190  GLY F 191  PRO F 192                    
SITE     7 CC8 31 ILE F 193  THR F 195  SER F 197  HOH F2009                    
SITE     8 CC8 31 HOH F2010  HOH F2011  HOH F2013                               
SITE     1 CC9 31 GLY G  13  ILE G  14  ALA G  15  SER G  19                    
SITE     2 CC9 31 ILE G  20  ARG G  40  LYS G  41  SER G  44                    
SITE     3 CC9 31 ILE G  65  ASP G  66  VAL G  67  SER G  93                    
SITE     4 CC9 31 ILE G  94  ALA G  95  ILE G 120  THR G 145                    
SITE     5 CC9 31 THR G 146  TYR G 147  LYS G 164  ALA G 190                    
SITE     6 CC9 31 GLY G 191  PRO G 192  ILE G 193  THR G 195                    
SITE     7 CC9 31 SER G 197  JA3 G1257  HOH G2004  HOH G2005                    
SITE     8 CC9 31 HOH G2006  HOH G2008  HOH G2131                               
SITE     1 DC1 31 JA3 G1258  GLY H  13  ILE H  14  ALA H  15                    
SITE     2 DC1 31 SER H  19  ILE H  20  ARG H  40  LYS H  41                    
SITE     3 DC1 31 SER H  44  ILE H  65  ASP H  66  VAL H  67                    
SITE     4 DC1 31 SER H  93  ILE H  94  ALA H  95  ILE H 120                    
SITE     5 DC1 31 THR H 145  THR H 146  TYR H 147  LYS H 164                    
SITE     6 DC1 31 ALA H 190  GLY H 191  PRO H 192  ILE H 193                    
SITE     7 DC1 31 THR H 195  SER H 197  HOH H2005  HOH H2006                    
SITE     8 DC1 31 HOH H2007  HOH H2008  HOH H2128                               
SITE     1 DC2  9 ALA A  95  LEU A 102  TYR A 147  TYR A 157                    
SITE     2 DC2  9 LYS A 164  SER A 197  ALA A 198  PHE A 204                    
SITE     3 DC2  9 NAP A 400                                                     
CRYST1   89.970   94.740   94.800  98.06  97.38 112.18 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      0.011115  0.004531  0.002422        0.00000                         
SCALE2      0.000000  0.011399  0.002393        0.00000                         
SCALE3      0.000000  0.000000  0.010869        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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