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Database: PDB
Entry: 5JH9
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HEADER    HYDROLASE                               20-APR-16   5JH9              
TITLE     CRYSTAL STRUCTURE OF PRAPE1                                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: VACUOLAR AMINOPEPTIDASE 1;                                 
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 SYNONYM: AMINOPEPTIDASE YSCI,LEUCINE AMINOPEPTIDASE IV,LAPIV,        
COMPND   5 LYSOSOMAL AMINOPEPTIDASE III,POLYPEPTIDASE,VACUOLAR AMINOPEPTIDASE I;
COMPND   6 EC: 3.4.11.22;                                                       
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE (STRAIN ATCC 204508 /  
SOURCE   3 S288C);                                                              
SOURCE   4 ORGANISM_COMMON: BAKER'S YEAST;                                      
SOURCE   5 ORGANISM_TAXID: 559292;                                              
SOURCE   6 STRAIN: ATCC 204508 / S288C;                                         
SOURCE   7 GENE: APE1, API, LAP4, YSC1, YKL103C, YKL455;                        
SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   9 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    TETRAHEDRAL DODECAMER, HYDROLASE                                      
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    N.N.NODA,W.ADACHI,F.INAGAKI                                           
REVDAT   2   13-JUL-16 5JH9    1       JRNL                                     
REVDAT   1   29-JUN-16 5JH9    0                                                
JRNL        AUTH   A.YAMASAKI,Y.WATANABE,W.ADACHI,K.SUZUKI,K.MATOBA,H.KIRISAKO, 
JRNL        AUTH 2 H.KUMETA,H.NAKATOGAWA,Y.OHSUMI,F.INAGAKI,N.N.NODA            
JRNL        TITL   STRUCTURAL BASIS FOR RECEPTOR-MEDIATED SELECTIVE AUTOPHAGY   
JRNL        TITL 2 OF AMINOPEPTIDASE I AGGREGATES                               
JRNL        REF    CELL REP                      V.  16    19 2016              
JRNL        REFN                   ESSN 2211-1247                               
JRNL        PMID   27320913                                                     
JRNL        DOI    10.1016/J.CELREP.2016.05.066                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.10 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0103                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 44.79                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 91.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 123984                         
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) : 0.183                           
REMARK   3   R VALUE            (WORKING SET) : 0.181                           
REMARK   3   FREE R VALUE                     : 0.207                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 13720                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.10                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.15                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 8463                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 85.10                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2230                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 954                          
REMARK   3   BIN FREE R VALUE                    : 0.2430                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 14619                                   
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 48                                      
REMARK   3   SOLVENT ATOMS            : 819                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 36.39                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 1.66000                                              
REMARK   3    B22 (A**2) : 1.66000                                              
REMARK   3    B33 (A**2) : -5.38000                                             
REMARK   3    B12 (A**2) : 0.83000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.202         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.164         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.108         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.623         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.952                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.936                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A): 15003 ; 0.007 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A): 14210 ; 0.002 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 20375 ; 1.208 ; 1.956       
REMARK   3   BOND ANGLES OTHERS          (DEGREES): 32707 ; 0.892 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  1892 ; 6.021 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   656 ;34.136 ;24.268       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  2399 ;12.094 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    68 ;13.916 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  2256 ; 0.071 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A): 17092 ; 0.004 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  3448 ; 0.001 ; 0.020       
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):  7592 ; 0.397 ; 1.467       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  7591 ; 0.397 ; 1.467       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  9476 ; 0.748 ; 2.195       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  9477 ; 0.748 ; 2.195       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  7411 ; 0.351 ; 1.460       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  7412 ; 0.351 ; 1.461       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2): 10900 ; 0.415 ; 2.192       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2): 17249 ; 5.584 ;12.292       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2): 17177 ; 5.559 ;12.197       
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  : 80                                         
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    36        A    48                          
REMARK   3    ORIGIN FOR THE GROUP (A): -44.1220 -81.4610 -47.0210              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8062 T22:   0.7040                                     
REMARK   3      T33:   0.6149 T12:   0.0569                                     
REMARK   3      T13:  -0.0884 T23:   0.1474                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.8431 L22:   7.5685                                     
REMARK   3      L33:   2.2525 L12:   7.1449                                     
REMARK   3      L13:   1.1112 L23:   2.4943                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4103 S12:   0.7193 S13:   0.3016                       
REMARK   3      S21:  -1.2496 S22:   0.5161 S23:   0.1300                       
REMARK   3      S31:  -1.2963 S32:   0.0162 S33:  -0.1058                       
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    49        A    64                          
REMARK   3    ORIGIN FOR THE GROUP (A): -40.7220 -75.7980 -35.2060              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1664 T22:   0.2496                                     
REMARK   3      T33:   0.4293 T12:   0.0109                                     
REMARK   3      T13:  -0.1712 T23:   0.0612                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1088 L22:   3.7249                                     
REMARK   3      L33:  11.4978 L12:  -2.1945                                     
REMARK   3      L13:  -2.1606 L23:   5.6408                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2626 S12:   0.2309 S13:   0.1776                       
REMARK   3      S21:  -0.4841 S22:  -0.1786 S23:   0.1293                       
REMARK   3      S31:  -0.4470 S32:  -0.2571 S33:  -0.0840                       
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    65        A    91                          
REMARK   3    ORIGIN FOR THE GROUP (A): -52.5820 -89.4980 -27.7960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1244 T22:   0.2308                                     
REMARK   3      T33:   0.5395 T12:   0.0447                                     
REMARK   3      T13:  -0.0966 T23:  -0.0087                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3600 L22:   2.7433                                     
REMARK   3      L33:   2.1562 L12:   2.5196                                     
REMARK   3      L13:   1.3705 L23:   1.7305                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0213 S12:   0.1678 S13:   0.2410                       
REMARK   3      S21:  -0.0252 S22:   0.1012 S23:   0.2238                       
REMARK   3      S31:  -0.2631 S32:  -0.2071 S33:  -0.1226                       
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    92        A   113                          
REMARK   3    ORIGIN FOR THE GROUP (A): -53.8990 -97.5640 -28.8180              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0531 T22:   0.2744                                     
REMARK   3      T33:   0.4134 T12:  -0.0396                                     
REMARK   3      T13:  -0.1229 T23:  -0.0294                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1505 L22:   3.0381                                     
REMARK   3      L33:   8.3352 L12:   0.6501                                     
REMARK   3      L13:   2.9024 L23:   3.6036                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1156 S12:   0.0639 S13:  -0.2540                       
REMARK   3      S21:  -0.0657 S22:  -0.0481 S23:   0.3418                       
REMARK   3      S31:   0.0102 S32:  -0.3260 S33:  -0.0675                       
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   114        A   124                          
REMARK   3    ORIGIN FOR THE GROUP (A): -49.5210-107.0960 -38.8600              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1291 T22:   0.3035                                     
REMARK   3      T33:   0.2763 T12:  -0.0571                                     
REMARK   3      T13:  -0.0980 T23:  -0.0571                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.1374 L22:   6.5044                                     
REMARK   3      L33:   5.9186 L12:  -1.5295                                     
REMARK   3      L13:   4.6915 L23:  -1.9640                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3113 S12:   0.5697 S13:  -0.2922                       
REMARK   3      S21:  -0.4632 S22:  -0.2440 S23:   0.3825                       
REMARK   3      S31:   0.4391 S32:  -0.2046 S33:  -0.0673                       
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   125        A   143                          
REMARK   3    ORIGIN FOR THE GROUP (A): -39.1600 -86.5480 -19.8330              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0540 T22:   0.1892                                     
REMARK   3      T33:   0.3796 T12:  -0.0329                                     
REMARK   3      T13:  -0.0656 T23:  -0.0106                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1275 L22:   0.8967                                     
REMARK   3      L33:   1.3572 L12:  -0.1719                                     
REMARK   3      L13:   0.0313 L23:   0.8888                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0476 S12:   0.0395 S13:  -0.0061                       
REMARK   3      S21:  -0.1436 S22:  -0.1665 S23:   0.1491                       
REMARK   3      S31:  -0.0746 S32:  -0.2240 S33:   0.1189                       
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   144        A   173                          
REMARK   3    ORIGIN FOR THE GROUP (A): -34.1740 -70.3570  -9.2770              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0428 T22:   0.1153                                     
REMARK   3      T33:   0.3070 T12:   0.0001                                     
REMARK   3      T13:  -0.0591 T23:   0.0176                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0316 L22:   3.1756                                     
REMARK   3      L33:   0.5975 L12:   0.1564                                     
REMARK   3      L13:  -0.3860 L23:   0.1256                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0526 S12:   0.0368 S13:   0.0521                       
REMARK   3      S21:   0.0284 S22:   0.0477 S23:  -0.0294                       
REMARK   3      S31:   0.0523 S32:  -0.1211 S33:  -0.1002                       
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 :   A   174        A   203                          
REMARK   3    ORIGIN FOR THE GROUP (A): -52.6290 -75.1380 -14.0940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1032 T22:   0.2610                                     
REMARK   3      T33:   0.3914 T12:   0.0873                                     
REMARK   3      T13:  -0.0875 T23:   0.0343                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.9315 L22:   5.2991                                     
REMARK   3      L33:   0.7748 L12:   2.6124                                     
REMARK   3      L13:  -1.5238 L23:  -0.9278                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0152 S12:   0.0613 S13:  -0.2259                       
REMARK   3      S21:   0.0513 S22:  -0.0097 S23:   0.2890                       
REMARK   3      S31:  -0.1626 S32:  -0.2689 S33:  -0.0055                       
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 :   A   204        A   221                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.6230 -65.9520  -8.2340              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0999 T22:   0.1283                                     
REMARK   3      T33:   0.2880 T12:   0.0253                                     
REMARK   3      T13:   0.0029 T23:   0.0116                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5700 L22:   6.8409                                     
REMARK   3      L33:   1.8358 L12:   2.1225                                     
REMARK   3      L13:   0.4639 L23:  -2.5425                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0829 S12:   0.0253 S13:  -0.2134                       
REMARK   3      S21:  -0.2001 S22:  -0.0327 S23:  -0.3390                       
REMARK   3      S31:   0.0941 S32:   0.1201 S33:   0.1157                       
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 :   A   222        A   249                          
REMARK   3    ORIGIN FOR THE GROUP (A): -45.5140 -65.6240  -2.8420              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1215 T22:   0.2529                                     
REMARK   3      T33:   0.3327 T12:   0.1060                                     
REMARK   3      T13:   0.0030 T23:   0.0471                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.3372 L22:   1.2311                                     
REMARK   3      L33:   0.1456 L12:   0.8856                                     
REMARK   3      L13:  -0.1485 L23:   0.2044                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0319 S12:  -0.3494 S13:   0.3402                       
REMARK   3      S21:   0.1135 S22:   0.0725 S23:   0.1420                       
REMARK   3      S31:  -0.0459 S32:  -0.0578 S33:  -0.0405                       
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 :   A   250        A   274                          
REMARK   3    ORIGIN FOR THE GROUP (A): -53.7520 -70.6910  -7.2950              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0557 T22:   0.1710                                     
REMARK   3      T33:   0.4097 T12:   0.0821                                     
REMARK   3      T13:  -0.0396 T23:   0.0150                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0491 L22:   2.1985                                     
REMARK   3      L33:   8.6660 L12:  -1.3459                                     
REMARK   3      L13:   0.3742 L23:  -0.1010                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0006 S12:  -0.0304 S13:   0.1850                       
REMARK   3      S21:   0.0204 S22:   0.0488 S23:   0.2741                       
REMARK   3      S31:  -0.3559 S32:  -0.1595 S33:  -0.0482                       
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 :   A   275        A   309                          
REMARK   3    ORIGIN FOR THE GROUP (A): -36.2610 -75.8870 -27.4000              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1153 T22:   0.1786                                     
REMARK   3      T33:   0.3537 T12:   0.0133                                     
REMARK   3      T13:  -0.1076 T23:   0.0109                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6926 L22:   0.9363                                     
REMARK   3      L33:   0.0445 L12:   0.0667                                     
REMARK   3      L13:  -0.1488 L23:  -0.0682                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0172 S12:   0.1269 S13:   0.0188                       
REMARK   3      S21:  -0.2283 S22:  -0.0145 S23:   0.2093                       
REMARK   3      S31:  -0.0009 S32:  -0.0600 S33:  -0.0027                       
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 :   A   310        A   327                          
REMARK   3    ORIGIN FOR THE GROUP (A): -48.3360 -94.2050 -42.4140              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1524 T22:   0.4635                                     
REMARK   3      T33:   0.3017 T12:   0.0536                                     
REMARK   3      T13:  -0.1391 T23:  -0.0295                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.5426 L22:  16.0757                                     
REMARK   3      L33:   4.6427 L12:   7.3353                                     
REMARK   3      L13:   2.3539 L23:   3.3359                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2669 S12:   0.3873 S13:   0.3879                       
REMARK   3      S21:  -0.3656 S22:   0.1741 S23:   0.8895                       
REMARK   3      S31:   0.1643 S32:   0.0381 S33:   0.0928                       
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 :   A   328        A   364                          
REMARK   3    ORIGIN FOR THE GROUP (A): -43.7120 -98.6880 -24.5290              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0812 T22:   0.1524                                     
REMARK   3      T33:   0.3964 T12:  -0.0453                                     
REMARK   3      T13:  -0.0906 T23:  -0.0526                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2249 L22:   1.3414                                     
REMARK   3      L33:   1.4356 L12:   1.1977                                     
REMARK   3      L13:   0.9217 L23:   0.6432                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0405 S12:  -0.0618 S13:  -0.0104                       
REMARK   3      S21:  -0.1065 S22:  -0.0219 S23:   0.1220                       
REMARK   3      S31:  -0.0504 S32:  -0.0612 S33:   0.0624                       
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 :   A   365        A   371                          
REMARK   3    ORIGIN FOR THE GROUP (A): -53.1100-113.9780 -32.2160              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3826 T22:   0.4623                                     
REMARK   3      T33:   0.6485 T12:  -0.1043                                     
REMARK   3      T13:  -0.1667 T23:  -0.0488                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  29.0579 L22:   5.1961                                     
REMARK   3      L33:   8.0756 L12: -12.2873                                     
REMARK   3      L13:  15.3174 L23:  -6.4776                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2129 S12:  -1.6885 S13:  -1.7798                       
REMARK   3      S21:  -0.0895 S22:   0.7091 S23:   0.7460                       
REMARK   3      S31:   0.1030 S32:  -0.8781 S33:  -0.9220                       
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 :   A   372        A   431                          
REMARK   3    ORIGIN FOR THE GROUP (A): -24.9570 -94.5170 -33.1480              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1288 T22:   0.1433                                     
REMARK   3      T33:   0.3099 T12:  -0.0101                                     
REMARK   3      T13:  -0.0487 T23:  -0.0398                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6213 L22:   0.5193                                     
REMARK   3      L33:   0.3532 L12:   0.3185                                     
REMARK   3      L13:   0.2923 L23:   0.1501                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0362 S12:   0.1292 S13:  -0.0611                       
REMARK   3      S21:  -0.0562 S22:  -0.0201 S23:  -0.0187                       
REMARK   3      S31:   0.0377 S32:  -0.0166 S33:  -0.0162                       
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 :   A   432        A   440                          
REMARK   3    ORIGIN FOR THE GROUP (A): -30.0990 -96.3030 -47.9620              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3058 T22:   0.3530                                     
REMARK   3      T33:   0.2374 T12:  -0.0117                                     
REMARK   3      T13:  -0.0618 T23:  -0.0229                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  10.7100 L22:  15.0530                                     
REMARK   3      L33:  18.9222 L12:   1.0070                                     
REMARK   3      L13:  -0.5536 L23:  -3.0580                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0343 S12:   0.2396 S13:  -0.3950                       
REMARK   3      S21:  -0.6172 S22:  -0.0693 S23:  -0.0244                       
REMARK   3      S31:   0.6460 S32:  -0.4022 S33:   0.1036                       
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 :   A   441        A   455                          
REMARK   3    ORIGIN FOR THE GROUP (A): -18.7120 -92.7600 -29.3820              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1621 T22:   0.1928                                     
REMARK   3      T33:   0.3283 T12:  -0.0502                                     
REMARK   3      T13:  -0.0334 T23:  -0.0773                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.3303 L22:   1.2665                                     
REMARK   3      L33:   0.1753 L12:  -0.2755                                     
REMARK   3      L13:   1.0489 L23:  -0.0373                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0529 S12:  -0.5099 S13:   0.2825                       
REMARK   3      S21:  -0.0573 S22:   0.0007 S23:  -0.0385                       
REMARK   3      S31:   0.0050 S32:  -0.0920 S33:   0.0522                       
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 :   A   456        A   487                          
REMARK   3    ORIGIN FOR THE GROUP (A): -30.7170 -90.8910 -28.6000              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1069 T22:   0.1735                                     
REMARK   3      T33:   0.3130 T12:  -0.0140                                     
REMARK   3      T13:  -0.0757 T23:  -0.0400                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4922 L22:   4.0034                                     
REMARK   3      L33:   0.1389 L12:   0.3849                                     
REMARK   3      L13:   0.1636 L23:  -0.3492                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0443 S12:   0.0589 S13:   0.0517                       
REMARK   3      S21:  -0.1355 S22:  -0.0497 S23:   0.2368                       
REMARK   3      S31:   0.0396 S32:  -0.0289 S33:   0.0053                       
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 :   A   488        A   512                          
REMARK   3    ORIGIN FOR THE GROUP (A): -35.9250 -97.0310 -42.8940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2145 T22:   0.3089                                     
REMARK   3      T33:   0.2679 T12:  -0.0327                                     
REMARK   3      T13:  -0.1040 T23:  -0.0400                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6181 L22:  12.6768                                     
REMARK   3      L33:   1.0146 L12:   1.5856                                     
REMARK   3      L13:   0.3663 L23:   3.2733                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0749 S12:   0.2802 S13:   0.0036                       
REMARK   3      S21:  -0.6105 S22:   0.0055 S23:  -0.0097                       
REMARK   3      S31:  -0.0688 S32:  -0.1501 S33:   0.0695                       
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 :   B    36        B    48                          
REMARK   3    ORIGIN FOR THE GROUP (A): -44.4520 -39.2060 -20.8840              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4689 T22:   0.4857                                     
REMARK   3      T33:   0.5853 T12:   0.1042                                     
REMARK   3      T13:  -0.0226 T23:   0.0846                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0396 L22:  10.1078                                     
REMARK   3      L33:   0.2586 L12:  -2.1342                                     
REMARK   3      L13:  -0.3268 L23:   1.6089                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1282 S12:  -0.0863 S13:  -0.0346                       
REMARK   3      S21:  -0.1603 S22:  -0.2323 S23:   0.7816                       
REMARK   3      S31:  -0.0435 S32:  -0.0588 S33:   0.1041                       
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 :   B    49        B    74                          
REMARK   3    ORIGIN FOR THE GROUP (A): -31.7620 -47.9540 -27.4060              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1824 T22:   0.1320                                     
REMARK   3      T33:   0.3881 T12:  -0.0135                                     
REMARK   3      T13:  -0.1072 T23:   0.1015                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.1132 L22:   2.0103                                     
REMARK   3      L33:   2.1285 L12:  -0.9544                                     
REMARK   3      L13:   0.0004 L23:   0.9945                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0963 S12:   0.1298 S13:   0.0162                       
REMARK   3      S21:  -0.3618 S22:   0.0782 S23:   0.2509                       
REMARK   3      S31:  -0.0729 S32:  -0.1403 S33:   0.0181                       
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 :   B    75        B    91                          
REMARK   3    ORIGIN FOR THE GROUP (A): -24.0600 -31.1300 -32.8240              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3501 T22:   0.1363                                     
REMARK   3      T33:   0.3264 T12:   0.0977                                     
REMARK   3      T13:  -0.0943 T23:   0.1055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  12.6363 L22:   3.3447                                     
REMARK   3      L33:   1.3436 L12:   4.5978                                     
REMARK   3      L13:  -1.9987 L23:  -1.9375                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2492 S12:   0.5924 S13:  -0.2229                       
REMARK   3      S21:  -0.3358 S22:   0.1495 S23:   0.0266                       
REMARK   3      S31:   0.0208 S32:  -0.0638 S33:   0.0997                       
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 :   B    92        B   116                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.5330 -28.5440 -28.6730              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2473 T22:   0.1196                                     
REMARK   3      T33:   0.3402 T12:   0.0462                                     
REMARK   3      T13:  -0.0164 T23:   0.1200                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6660 L22:   2.4056                                     
REMARK   3      L33:   1.7987 L12:  -0.3465                                     
REMARK   3      L13:  -1.5576 L23:   0.4982                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2129 S12:   0.2476 S13:   0.2040                       
REMARK   3      S21:  -0.1632 S22:  -0.0989 S23:   0.0832                       
REMARK   3      S31:  -0.3087 S32:   0.0232 S33:  -0.1140                       
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 :   B   117        B   125                          
REMARK   3    ORIGIN FOR THE GROUP (A): -23.4740 -17.8910 -16.0990              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3335 T22:   0.1818                                     
REMARK   3      T33:   0.4823 T12:   0.0620                                     
REMARK   3      T13:   0.0149 T23:   0.0427                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1254 L22:   6.4584                                     
REMARK   3      L33:  18.5812 L12:  -4.0000                                     
REMARK   3      L13:   8.1543 L23:  -8.1491                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1468 S12:  -0.3009 S13:   0.6611                       
REMARK   3      S21:   0.3564 S22:  -0.0587 S23:   0.1514                       
REMARK   3      S31:  -1.1033 S32:  -0.0509 S33:   0.2056                       
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 :   B   126        B   144                          
REMARK   3    ORIGIN FOR THE GROUP (A): -17.1880 -49.9990 -25.4180              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1915 T22:   0.1750                                     
REMARK   3      T33:   0.4606 T12:   0.1123                                     
REMARK   3      T13:   0.0494 T23:   0.1335                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1024 L22:   1.2575                                     
REMARK   3      L33:   2.6788 L12:   0.2919                                     
REMARK   3      L13:   0.4279 L23:   1.8329                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0519 S12:   0.0303 S13:   0.0817                       
REMARK   3      S21:  -0.1490 S22:  -0.1348 S23:   0.0055                       
REMARK   3      S31:  -0.2197 S32:  -0.2405 S33:   0.0829                       
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 :   B   145        B   171                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.9140 -67.9240 -30.0770              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1136 T22:   0.1689                                     
REMARK   3      T33:   0.3341 T12:   0.0758                                     
REMARK   3      T13:  -0.0260 T23:   0.0537                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7231 L22:   3.4823                                     
REMARK   3      L33:   0.8302 L12:   1.4761                                     
REMARK   3      L13:   0.1521 L23:   0.1713                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0160 S12:   0.1150 S13:   0.0780                       
REMARK   3      S21:  -0.0806 S22:   0.0583 S23:  -0.0713                       
REMARK   3      S31:  -0.0288 S32:  -0.0748 S33:  -0.0743                       
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 :   B   172        B   201                          
REMARK   3    ORIGIN FOR THE GROUP (A): -20.1230 -52.0480 -42.1290              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1814 T22:   0.2101                                     
REMARK   3      T33:   0.2651 T12:   0.0290                                     
REMARK   3      T13:  -0.0768 T23:   0.0913                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0340 L22:   4.5619                                     
REMARK   3      L33:   4.5962 L12:   2.7675                                     
REMARK   3      L13:  -2.0031 L23:  -3.2574                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0612 S12:   0.3606 S13:   0.1422                       
REMARK   3      S21:  -0.0982 S22:  -0.0302 S23:   0.2191                       
REMARK   3      S31:  -0.2841 S32:   0.0404 S33:  -0.0310                       
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 :   B   202        B   229                          
REMARK   3    ORIGIN FOR THE GROUP (A): -16.3450 -74.9930 -25.0470              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1056 T22:   0.1028                                     
REMARK   3      T33:   0.2612 T12:  -0.0015                                     
REMARK   3      T13:  -0.0370 T23:   0.0065                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.6868 L22:   3.5146                                     
REMARK   3      L33:   0.2255 L12:   1.5541                                     
REMARK   3      L13:   0.1567 L23:  -0.4277                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1057 S12:  -0.0147 S13:   0.0838                       
REMARK   3      S21:   0.0692 S22:  -0.2295 S23:   0.0140                       
REMARK   3      S31:  -0.0302 S32:  -0.0185 S33:   0.1238                       
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 :   B   230        B   243                          
REMARK   3    ORIGIN FOR THE GROUP (A): -17.9490 -71.9750 -49.8170              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7391 T22:   0.7088                                     
REMARK   3      T33:   0.3618 T12:  -0.0573                                     
REMARK   3      T13:   0.2144 T23:   0.0071                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2507 L22:   0.2333                                     
REMARK   3      L33:   8.6443 L12:   0.5838                                     
REMARK   3      L13:   4.3795 L23:   1.0500                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2456 S12:  -0.3605 S13:  -0.1934                       
REMARK   3      S21:  -0.0915 S22:   0.0874 S23:  -0.0937                       
REMARK   3      S31:   0.5315 S32:  -0.9788 S33:  -0.3330                       
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 :   B   244        B   268                          
REMARK   3    ORIGIN FOR THE GROUP (A): -14.7130 -59.2510 -48.6530              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2350 T22:   0.2547                                     
REMARK   3      T33:   0.1555 T12:  -0.0025                                     
REMARK   3      T13:  -0.0511 T23:   0.0600                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9419 L22:   3.5981                                     
REMARK   3      L33:   5.0895 L12:  -0.9995                                     
REMARK   3      L13:  -0.1153 L23:  -0.2182                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1463 S12:   0.5415 S13:  -0.1297                       
REMARK   3      S21:  -0.4217 S22:  -0.1199 S23:   0.0604                       
REMARK   3      S31:   0.1556 S32:   0.1479 S33:  -0.0264                       
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 :   B   269        B   320                          
REMARK   3    ORIGIN FOR THE GROUP (A): -28.5170 -50.9670 -26.5350              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1324 T22:   0.1208                                     
REMARK   3      T33:   0.3672 T12:   0.0375                                     
REMARK   3      T13:  -0.0679 T23:   0.0691                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2000 L22:   0.3516                                     
REMARK   3      L33:   0.1769 L12:   0.0772                                     
REMARK   3      L13:  -0.0004 L23:   0.1867                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0150 S12:   0.1202 S13:   0.0770                       
REMARK   3      S21:  -0.1042 S22:  -0.0232 S23:   0.1322                       
REMARK   3      S31:  -0.0662 S32:  -0.0881 S33:   0.0082                       
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 :   B   321        B   328                          
REMARK   3    ORIGIN FOR THE GROUP (A): -33.4000 -20.0120 -21.6500              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4039 T22:   0.8898                                     
REMARK   3      T33:   0.5319 T12:   0.4139                                     
REMARK   3      T13:  -0.0361 T23:   0.1304                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  13.6504 L22:  18.7613                                     
REMARK   3      L33:   2.4372 L12:  13.5613                                     
REMARK   3      L13:   4.1584 L23:   6.5419                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2239 S12:   0.2033 S13:   0.9287                       
REMARK   3      S21:  -1.0078 S22:  -0.1712 S23:   1.1131                       
REMARK   3      S31:  -0.5381 S32:  -0.3620 S33:   0.3950                       
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 :   B   329        B   364                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.3130 -35.6550 -22.0440              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1485 T22:   0.0935                                     
REMARK   3      T33:   0.3744 T12:   0.0277                                     
REMARK   3      T13:  -0.0168 T23:   0.0869                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6658 L22:   1.8944                                     
REMARK   3      L33:   0.3474 L12:  -0.1677                                     
REMARK   3      L13:  -0.2079 L23:  -0.1868                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1030 S12:   0.2094 S13:   0.0789                       
REMARK   3      S21:  -0.1994 S22:  -0.1876 S23:  -0.0933                       
REMARK   3      S31:  -0.0556 S32:  -0.0693 S33:   0.0847                       
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 :   B   365        B   373                          
REMARK   3    ORIGIN FOR THE GROUP (A): -14.1160 -17.5530 -19.1650              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8121 T22:   0.5766                                     
REMARK   3      T33:   0.6751 T12:  -0.2497                                     
REMARK   3      T13:  -0.1811 T23:   0.2090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  17.4144 L22:   1.6206                                     
REMARK   3      L33:   6.0933 L12:  -2.6593                                     
REMARK   3      L13:   6.9415 L23:  -3.0684                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3031 S12:   1.6803 S13:   1.1105                       
REMARK   3      S21:   0.5053 S22:  -0.9588 S23:  -0.2912                       
REMARK   3      S31:  -0.8454 S32:   1.8299 S33:   0.6557                       
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 :   B   374        B   395                          
REMARK   3    ORIGIN FOR THE GROUP (A): -23.2380 -44.3900  -8.5360              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1664 T22:   0.0792                                     
REMARK   3      T33:   0.3896 T12:   0.0538                                     
REMARK   3      T13:  -0.0156 T23:   0.0407                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4537 L22:   3.6840                                     
REMARK   3      L33:   0.1437 L12:   0.9543                                     
REMARK   3      L13:   0.0310 L23:  -0.3029                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0285 S12:  -0.0394 S13:   0.1038                       
REMARK   3      S21:  -0.1037 S22:  -0.0712 S23:   0.1311                       
REMARK   3      S31:  -0.0529 S32:  -0.0566 S33:   0.0427                       
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 :   B   396        B   430                          
REMARK   3    ORIGIN FOR THE GROUP (A): -24.4030 -46.4470  -1.6240              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1151 T22:   0.0508                                     
REMARK   3      T33:   0.3496 T12:   0.0508                                     
REMARK   3      T13:   0.0130 T23:   0.0315                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4113 L22:   1.3921                                     
REMARK   3      L33:   1.2255 L12:  -0.1121                                     
REMARK   3      L13:   1.1052 L23:  -0.2779                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0655 S12:  -0.0139 S13:   0.1031                       
REMARK   3      S21:   0.1014 S22:  -0.1203 S23:   0.0342                       
REMARK   3      S31:  -0.0487 S32:  -0.0283 S33:   0.0548                       
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 :   B   431        B   451                          
REMARK   3    ORIGIN FOR THE GROUP (A): -27.5890 -43.8160  -1.3090              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1649 T22:   0.0600                                     
REMARK   3      T33:   0.3719 T12:   0.0213                                     
REMARK   3      T13:   0.0514 T23:   0.0385                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.8494 L22:   6.0273                                     
REMARK   3      L33:   2.6370 L12:  -5.8614                                     
REMARK   3      L13:   3.4055 L23:  -2.7159                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0918 S12:  -0.1534 S13:   0.3366                       
REMARK   3      S21:  -0.0939 S22:  -0.0086 S23:  -0.1760                       
REMARK   3      S31:  -0.1222 S32:  -0.1652 S33:  -0.0832                       
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 :   B   452        B   487                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.4680 -46.4160 -12.2540              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1351 T22:   0.1058                                     
REMARK   3      T33:   0.3649 T12:   0.0666                                     
REMARK   3      T13:   0.0041 T23:   0.0489                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2723 L22:   1.8679                                     
REMARK   3      L33:   0.4943 L12:   1.0123                                     
REMARK   3      L13:   0.6107 L23:   0.1420                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0144 S12:   0.0634 S13:   0.0819                       
REMARK   3      S21:  -0.0457 S22:   0.0136 S23:   0.0156                       
REMARK   3      S31:  -0.0760 S32:  -0.0503 S33:   0.0008                       
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 :   B   488        B   512                          
REMARK   3    ORIGIN FOR THE GROUP (A): -31.4960 -32.9770  -9.7350              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1986 T22:   0.1462                                     
REMARK   3      T33:   0.4025 T12:   0.0958                                     
REMARK   3      T13:   0.0132 T23:   0.0813                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.8469 L22:   9.6761                                     
REMARK   3      L33:   2.4702 L12:   2.9210                                     
REMARK   3      L13:   2.0853 L23:   3.5258                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0708 S12:  -0.0741 S13:   0.1851                       
REMARK   3      S21:   0.1983 S22:  -0.1750 S23:   0.4938                       
REMARK   3      S31:  -0.0164 S32:  -0.2021 S33:   0.1042                       
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 :   C    36        C    46                          
REMARK   3    ORIGIN FOR THE GROUP (A): -18.7090 -44.7250  50.9740              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8521 T22:   0.5730                                     
REMARK   3      T33:   0.7386 T12:   0.1010                                     
REMARK   3      T13:   0.3430 T23:  -0.1511                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  13.5295 L22:   7.8002                                     
REMARK   3      L33:   2.4647 L12: -10.2540                                     
REMARK   3      L13:  -5.7418 L23:   4.3307                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2453 S12:  -0.1036 S13:   0.2278                       
REMARK   3      S21:  -0.1311 S22:  -0.0136 S23:  -0.0518                       
REMARK   3      S31:  -0.2142 S32:   0.0515 S33:  -0.2317                       
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 :   C    48        C    55                          
REMARK   3    ORIGIN FOR THE GROUP (A): -16.4730 -44.7670  41.9890              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3361 T22:   0.2397                                     
REMARK   3      T33:   0.2936 T12:   0.1000                                     
REMARK   3      T13:   0.0128 T23:  -0.0011                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  20.7605 L22:   8.0158                                     
REMARK   3      L33:   8.3820 L12:   3.5607                                     
REMARK   3      L13:  -4.1404 L23:   6.7676                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0113 S12:   0.2931 S13:   0.8024                       
REMARK   3      S21:  -0.3510 S22:  -0.1660 S23:   0.4315                       
REMARK   3      S31:  -0.3783 S32:  -0.3058 S33:   0.1546                       
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 :   C    56        C    74                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.2960 -50.6280  42.9650              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1900 T22:   0.0905                                     
REMARK   3      T33:   0.3200 T12:   0.0070                                     
REMARK   3      T13:   0.0221 T23:  -0.0437                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3622 L22:   0.7993                                     
REMARK   3      L33:   3.2978 L12:  -0.2825                                     
REMARK   3      L13:   0.7180 L23:  -1.6014                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0203 S12:  -0.0937 S13:   0.1062                       
REMARK   3      S21:   0.2381 S22:  -0.0693 S23:  -0.0228                       
REMARK   3      S31:  -0.4500 S32:   0.0649 S33:   0.0896                       
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 :   C    75        C    91                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.0460 -57.1180  59.8760              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2808 T22:   0.1987                                     
REMARK   3      T33:   0.2229 T12:  -0.0402                                     
REMARK   3      T13:   0.0543 T23:  -0.0933                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.4665 L22:  11.4853                                     
REMARK   3      L33:   2.3016 L12:  -7.3833                                     
REMARK   3      L13:   3.9961 L23:  -3.7457                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0701 S12:  -0.0007 S13:   0.4274                       
REMARK   3      S21:   0.1134 S22:  -0.0846 S23:  -0.3475                       
REMARK   3      S31:  -0.2550 S32:   0.1618 S33:   0.0145                       
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 :   C    92        C   115                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.0130 -61.6450  60.4100              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2160 T22:   0.1571                                     
REMARK   3      T33:   0.2317 T12:  -0.0107                                     
REMARK   3      T13:  -0.0167 T23:  -0.0401                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4031 L22:   1.6754                                     
REMARK   3      L33:   4.4838 L12:  -0.7683                                     
REMARK   3      L13:  -2.0788 L23:   1.5220                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0272 S12:  -0.2543 S13:   0.2016                       
REMARK   3      S21:   0.2399 S22:   0.0071 S23:  -0.0735                       
REMARK   3      S31:   0.3479 S32:   0.0833 S33:   0.0201                       
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 :   C   116        C   146                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.7610 -63.5320  47.4040              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1399 T22:   0.0607                                     
REMARK   3      T33:   0.2742 T12:  -0.0134                                     
REMARK   3      T13:   0.0021 T23:  -0.0584                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.6649 L22:   0.6096                                     
REMARK   3      L33:   1.1637 L12:   0.2543                                     
REMARK   3      L13:  -1.0240 L23:  -0.4189                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0751 S12:  -0.0420 S13:   0.1542                       
REMARK   3      S21:   0.1415 S22:   0.0359 S23:   0.0152                       
REMARK   3      S31:  -0.0869 S32:  -0.0393 S33:  -0.1110                       
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 :   C   147        C   167                          
REMARK   3    ORIGIN FOR THE GROUP (A):  11.8880 -56.2160  23.5810              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1131 T22:   0.0331                                     
REMARK   3      T33:   0.2918 T12:   0.0124                                     
REMARK   3      T13:   0.0282 T23:  -0.0609                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5725 L22:   2.4057                                     
REMARK   3      L33:   3.7095 L12:   1.6210                                     
REMARK   3      L13:  -0.8480 L23:  -2.5049                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1255 S12:  -0.1159 S13:  -0.1190                       
REMARK   3      S21:  -0.0762 S22:  -0.0536 S23:  -0.2001                       
REMARK   3      S31:  -0.0231 S32:   0.0944 S33:   0.1791                       
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 :   C   168        C   183                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.5230 -51.6510  35.9010              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1997 T22:   0.1549                                     
REMARK   3      T33:   0.3227 T12:  -0.0112                                     
REMARK   3      T13:   0.0305 T23:  -0.0431                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5324 L22:   1.2065                                     
REMARK   3      L33:   8.6947 L12:  -0.1426                                     
REMARK   3      L13:   6.1580 L23:  -0.6338                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0226 S12:  -0.0909 S13:   0.0577                       
REMARK   3      S21:   0.1734 S22:   0.0703 S23:  -0.0309                       
REMARK   3      S31:  -0.1897 S32:  -0.0219 S33:  -0.0477                       
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 :   C   184        C   203                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.7840 -48.6150  41.7080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2002 T22:   0.1918                                     
REMARK   3      T33:   0.4321 T12:   0.0136                                     
REMARK   3      T13:  -0.0107 T23:  -0.1900                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5499 L22:   2.9745                                     
REMARK   3      L33:   5.0305 L12:  -0.2482                                     
REMARK   3      L13:   3.7718 L23:  -1.9368                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1287 S12:  -0.0292 S13:   0.3358                       
REMARK   3      S21:   0.0949 S22:  -0.3457 S23:  -0.0769                       
REMARK   3      S31:   0.1093 S32:   0.2634 S33:   0.2170                       
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 :   C   204        C   232                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.6370 -55.3700  15.3760              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0841 T22:   0.0653                                     
REMARK   3      T33:   0.2912 T12:  -0.0141                                     
REMARK   3      T13:   0.0003 T23:   0.0004                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4221 L22:   1.6037                                     
REMARK   3      L33:   3.0511 L12:  -0.3580                                     
REMARK   3      L13:   0.3364 L23:  -0.6091                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0077 S12:   0.0186 S13:   0.0562                       
REMARK   3      S21:  -0.0770 S22:   0.0177 S23:   0.0460                       
REMARK   3      S31:   0.1448 S32:   0.0959 S33:  -0.0100                       
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 :   C   233        C   249                          
REMARK   3    ORIGIN FOR THE GROUP (A):  30.6070 -45.0970  35.2880              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1857 T22:   0.9977                                     
REMARK   3      T33:   0.5092 T12:  -0.1303                                     
REMARK   3      T13:  -0.0183 T23:  -0.0131                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2948 L22:  12.7232                                     
REMARK   3      L33:   0.8206 L12:  -5.8331                                     
REMARK   3      L13:   1.6524 L23:  -2.9500                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4275 S12:   0.7654 S13:   0.4822                       
REMARK   3      S21:  -0.2780 S22:  -0.6408 S23:  -0.8110                       
REMARK   3      S31:   0.0474 S32:   0.4953 S33:   0.2133                       
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 :   C   250        C   269                          
REMARK   3    ORIGIN FOR THE GROUP (A):  21.4350 -48.6410  37.4340              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1442 T22:   0.0885                                     
REMARK   3      T33:   0.3324 T12:  -0.0663                                     
REMARK   3      T13:  -0.0436 T23:  -0.0576                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2734 L22:   6.2579                                     
REMARK   3      L33:   3.1764 L12:  -0.5786                                     
REMARK   3      L13:  -0.2173 L23:   1.0903                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0537 S12:   0.0265 S13:   0.2863                       
REMARK   3      S21:  -0.2005 S22:   0.0000 S23:  -0.2383                       
REMARK   3      S31:  -0.1996 S32:   0.3228 S33:  -0.0538                       
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 :   C   270        C   330                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -5.6830 -53.0120  43.8950              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1667 T22:   0.0901                                     
REMARK   3      T33:   0.3088 T12:   0.0228                                     
REMARK   3      T13:   0.0242 T23:  -0.0448                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2829 L22:   0.4697                                     
REMARK   3      L33:   0.5295 L12:   0.0569                                     
REMARK   3      L13:   0.0161 L23:  -0.1782                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0056 S12:  -0.1004 S13:   0.1247                       
REMARK   3      S21:   0.1447 S22:   0.0447 S23:   0.0555                       
REMARK   3      S31:  -0.1400 S32:  -0.0451 S33:  -0.0391                       
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 :   C   331        C   364                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -1.3340 -68.6830  50.4490              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1540 T22:   0.1288                                     
REMARK   3      T33:   0.2716 T12:  -0.0117                                     
REMARK   3      T13:   0.0070 T23:  -0.0195                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9482 L22:   0.2013                                     
REMARK   3      L33:   3.8383 L12:  -0.2086                                     
REMARK   3      L13:  -0.6273 L23:   0.1017                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0213 S12:  -0.0600 S13:   0.0248                       
REMARK   3      S21:   0.1060 S22:  -0.0358 S23:  -0.0121                       
REMARK   3      S31:   0.0217 S32:   0.1162 S33:   0.0572                       
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 :   C   365        C   371                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.0860 -73.9030  70.3100              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9660 T22:   0.4787                                     
REMARK   3      T33:   0.3824 T12:  -0.0720                                     
REMARK   3      T13:  -0.2084 T23:   0.0632                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1625 L22:  35.9696                                     
REMARK   3      L33:  19.0333 L12:  -2.3979                                     
REMARK   3      L13:  -1.7439 L23:  26.1584                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1505 S12:  -0.0727 S13:   0.0807                       
REMARK   3      S21:   1.5541 S22:   1.0980 S23:  -1.2293                       
REMARK   3      S31:   1.1551 S32:   0.8093 S33:  -0.9474                       
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 :   C   372        C   422                          
REMARK   3    ORIGIN FOR THE GROUP (A): -17.5430 -68.3220  36.5430              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0997 T22:   0.1294                                     
REMARK   3      T33:   0.3007 T12:   0.0103                                     
REMARK   3      T13:   0.0195 T23:  -0.0072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0394 L22:   0.6306                                     
REMARK   3      L33:   0.9573 L12:   0.1104                                     
REMARK   3      L13:  -0.1436 L23:  -0.2258                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0069 S12:  -0.0176 S13:   0.0246                       
REMARK   3      S21:   0.0006 S22:   0.0213 S23:   0.0933                       
REMARK   3      S31:   0.0162 S32:  -0.0781 S33:  -0.0282                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 57                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   423        C   440                          
REMARK   3    ORIGIN FOR THE GROUP (A): -26.9340 -67.1080  46.5700              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1635 T22:   0.3083                                     
REMARK   3      T33:   0.2619 T12:  -0.0137                                     
REMARK   3      T13:   0.0573 T23:  -0.0096                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1016 L22:  22.3788                                     
REMARK   3      L33:   3.6358 L12:  -6.6859                                     
REMARK   3      L13:   0.0949 L23:  -0.0831                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0859 S12:  -0.2821 S13:  -0.0352                       
REMARK   3      S21:   0.5541 S22:   0.0956 S23:   0.4252                       
REMARK   3      S31:   0.0207 S32:  -0.4140 S33:  -0.0097                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 58                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   441        C   459                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.7830 -71.9080  32.6700              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1073 T22:   0.1490                                     
REMARK   3      T33:   0.3028 T12:  -0.0016                                     
REMARK   3      T13:   0.0393 T23:  -0.0149                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.3709 L22:   0.8619                                     
REMARK   3      L33:   2.4553 L12:   0.8148                                     
REMARK   3      L13:   1.7394 L23:   0.7287                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0157 S12:   0.3091 S13:  -0.0918                       
REMARK   3      S21:   0.0508 S22:   0.1679 S23:   0.0110                       
REMARK   3      S31:  -0.0746 S32:   0.4180 S33:  -0.1522                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 59                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   460        C   487                          
REMARK   3    ORIGIN FOR THE GROUP (A): -11.5410 -64.4070  38.1790              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1161 T22:   0.1093                                     
REMARK   3      T33:   0.3096 T12:   0.0028                                     
REMARK   3      T13:   0.0202 T23:  -0.0053                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1172 L22:   1.6960                                     
REMARK   3      L33:   1.6453 L12:  -0.1354                                     
REMARK   3      L13:  -0.1524 L23:  -0.9045                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0503 S12:  -0.0560 S13:   0.0632                       
REMARK   3      S21:   0.0711 S22:  -0.0072 S23:   0.1046                       
REMARK   3      S31:  -0.0644 S32:   0.0198 S33:  -0.0430                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 60                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   C   488        C   512                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.8510 -62.8630  50.8070              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1344 T22:   0.2238                                     
REMARK   3      T33:   0.3006 T12:   0.0507                                     
REMARK   3      T13:   0.0448 T23:  -0.0422                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1258 L22:   5.5575                                     
REMARK   3      L33:   5.4659 L12:   1.8828                                     
REMARK   3      L13:  -2.0191 L23:  -4.1525                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0097 S12:  -0.1013 S13:   0.1797                       
REMARK   3      S21:   0.1227 S22:   0.1296 S23:   0.3296                       
REMARK   3      S31:  -0.1734 S32:  -0.3074 S33:  -0.1393                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 61                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    38        D    44                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.6310 -20.8850  18.0520              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.7322 T22:   0.6601                                     
REMARK   3      T33:   0.7310 T12:  -0.2726                                     
REMARK   3      T13:   0.0849 T23:  -0.1368                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4105 L22:   7.5612                                     
REMARK   3      L33:   0.7575 L12:   3.2654                                     
REMARK   3      L13:   1.0256 L23:   2.3703                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1380 S12:   0.0479 S13:  -0.2424                       
REMARK   3      S21:   0.3365 S22:   0.0830 S23:  -0.5392                       
REMARK   3      S31:   0.0381 S32:   0.1126 S33:  -0.2210                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 62                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    45        D    58                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.6630 -28.5610  20.5940              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3558 T22:   0.1022                                     
REMARK   3      T33:   0.3710 T12:  -0.0022                                     
REMARK   3      T13:  -0.0318 T23:  -0.0076                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  16.8291 L22:   8.0162                                     
REMARK   3      L33:   7.3045 L12:   4.3650                                     
REMARK   3      L13:  -0.1810 L23:   0.3133                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0125 S12:  -0.6891 S13:   0.6265                       
REMARK   3      S21:   0.5562 S22:  -0.1667 S23:  -0.2414                       
REMARK   3      S31:  -0.4513 S32:   0.6280 S33:   0.1791                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 63                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    59        D    73                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -6.6040 -30.8740  13.6750              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1978 T22:   0.0039                                     
REMARK   3      T33:   0.4587 T12:   0.0208                                     
REMARK   3      T13:   0.0096 T23:   0.0080                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7200 L22:   2.6028                                     
REMARK   3      L33:   3.7285 L12:   0.6220                                     
REMARK   3      L13:  -1.6294 L23:  -1.4824                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0655 S12:  -0.0039 S13:   0.0864                       
REMARK   3      S21:   0.2434 S22:   0.0025 S23:   0.1569                       
REMARK   3      S31:  -0.1665 S32:   0.0095 S33:  -0.0680                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 64                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    74        D    92                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -7.1560 -16.9860   2.3960              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2862 T22:   0.0167                                     
REMARK   3      T33:   0.4160 T12:   0.0336                                     
REMARK   3      T13:   0.0683 T23:   0.0225                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.3068 L22:   3.2577                                     
REMARK   3      L33:  13.6894 L12:  -0.6286                                     
REMARK   3      L13:   7.8731 L23:  -0.7600                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1571 S12:  -0.3088 S13:   0.3132                       
REMARK   3      S21:   0.0209 S22:  -0.0104 S23:   0.0230                       
REMARK   3      S31:  -0.4072 S32:  -0.2893 S33:   0.1675                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 65                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D    93        D   118                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.5990 -17.5440  -1.6190              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2579 T22:   0.0217                                     
REMARK   3      T33:   0.5351 T12:   0.0203                                     
REMARK   3      T13:  -0.0206 T23:   0.0389                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.0436 L22:   2.2859                                     
REMARK   3      L33:   1.5214 L12:   1.9746                                     
REMARK   3      L13:  -1.0248 L23:  -0.5045                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0688 S12:  -0.0116 S13:   0.3742                       
REMARK   3      S21:   0.0283 S22:   0.0679 S23:   0.1822                       
REMARK   3      S31:  -0.2548 S32:  -0.1015 S33:  -0.1367                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 66                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   119        D   134                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.1100 -22.7700  -5.1530              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2493 T22:   0.0599                                     
REMARK   3      T33:   0.3777 T12:  -0.0278                                     
REMARK   3      T13:  -0.0063 T23:   0.0097                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2194 L22:   9.4501                                     
REMARK   3      L33:   3.8573 L12:   3.1969                                     
REMARK   3      L13:  -2.0337 L23:  -5.3717                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0702 S12:  -0.0393 S13:   0.0930                       
REMARK   3      S21:  -0.3331 S22:  -0.1505 S23:  -0.3776                       
REMARK   3      S31:   0.0223 S32:   0.2953 S33:   0.2206                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 67                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   135        D   171                          
REMARK   3    ORIGIN FOR THE GROUP (A): -15.6010 -49.9920  13.8110              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1023 T22:   0.0142                                     
REMARK   3      T33:   0.3446 T12:   0.0164                                     
REMARK   3      T13:   0.0038 T23:  -0.0036                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9820 L22:   0.6791                                     
REMARK   3      L33:   2.1162 L12:   0.1082                                     
REMARK   3      L13:  -0.0381 L23:  -0.9768                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0176 S12:  -0.0115 S13:   0.1070                       
REMARK   3      S21:  -0.0490 S22:   0.0352 S23:   0.0695                       
REMARK   3      S31:   0.0061 S32:  -0.0774 S33:  -0.0177                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 68                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   172        D   201                          
REMARK   3    ORIGIN FOR THE GROUP (A): -21.1490 -32.1020  14.2580              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2154 T22:   0.0454                                     
REMARK   3      T33:   0.3830 T12:   0.0693                                     
REMARK   3      T13:   0.0200 T23:  -0.0273                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.4454 L22:   2.9419                                     
REMARK   3      L33:   4.0181 L12:  -2.5518                                     
REMARK   3      L13:   2.4614 L23:  -2.1650                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0339 S12:   0.0799 S13:   0.3870                       
REMARK   3      S21:  -0.0364 S22:  -0.1657 S23:  -0.1038                       
REMARK   3      S31:  -0.3658 S32:  -0.1470 S33:   0.1318                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 69                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   202        D   234                          
REMARK   3    ORIGIN FOR THE GROUP (A): -14.5500 -58.1670  19.4330              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0809 T22:   0.0756                                     
REMARK   3      T33:   0.3289 T12:  -0.0099                                     
REMARK   3      T13:   0.0188 T23:  -0.0066                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6966 L22:   1.5407                                     
REMARK   3      L33:   3.3968 L12:  -0.6968                                     
REMARK   3      L13:   1.0449 L23:   0.0400                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0021 S12:  -0.0346 S13:   0.0624                       
REMARK   3      S21:  -0.0312 S22:   0.0608 S23:   0.0285                       
REMARK   3      S31:  -0.1282 S32:   0.0989 S33:  -0.0586                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 70                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   235        D   250                          
REMARK   3    ORIGIN FOR THE GROUP (A): -36.8430 -38.5580  18.6870              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2193 T22:   0.2947                                     
REMARK   3      T33:   0.5080 T12:   0.1062                                     
REMARK   3      T13:   0.0255 T23:  -0.0236                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7630 L22:   5.1780                                     
REMARK   3      L33:  25.4943 L12:   1.8102                                     
REMARK   3      L13:  -0.8341 L23:  -3.3101                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0756 S12:  -0.1975 S13:  -0.1676                       
REMARK   3      S21:   0.3203 S22:  -0.0584 S23:   0.4219                       
REMARK   3      S31:   0.3214 S32:  -0.2851 S33:  -0.0172                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 71                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   251        D   276                          
REMARK   3    ORIGIN FOR THE GROUP (A): -28.0070 -36.1890  15.8010              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1457 T22:   0.1221                                     
REMARK   3      T33:   0.3573 T12:   0.0870                                     
REMARK   3      T13:   0.0155 T23:  -0.0112                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.5975 L22:   5.0546                                     
REMARK   3      L33:   4.8002 L12:   0.7191                                     
REMARK   3      L13:  -1.4539 L23:   2.1795                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0638 S12:  -0.2991 S13:   0.0736                       
REMARK   3      S21:   0.1648 S22:  -0.1398 S23:   0.2159                       
REMARK   3      S31:  -0.1173 S32:  -0.3295 S33:   0.0761                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 72                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   277        D   310                          
REMARK   3    ORIGIN FOR THE GROUP (A):   0.5500 -38.5280  17.3610              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1807 T22:   0.0439                                     
REMARK   3      T33:   0.3389 T12:  -0.0212                                     
REMARK   3      T13:   0.0144 T23:  -0.0166                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5654 L22:   0.7528                                     
REMARK   3      L33:   1.3438 L12:  -0.6020                                     
REMARK   3      L13:   0.6359 L23:  -0.6293                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0071 S12:   0.0079 S13:   0.0879                       
REMARK   3      S21:   0.0883 S22:  -0.0262 S23:  -0.0264                       
REMARK   3      S31:  -0.1258 S32:   0.1019 S33:   0.0191                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 73                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   311        D   331                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.5100 -15.4330   3.0730              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2468 T22:   0.0166                                     
REMARK   3      T33:   0.4489 T12:  -0.0179                                     
REMARK   3      T13:  -0.0039 T23:   0.0028                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.2527 L22:   5.0238                                     
REMARK   3      L33:  10.9261 L12:   0.2423                                     
REMARK   3      L13:  -0.7104 L23:  -5.5645                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0437 S12:  -0.1368 S13:   0.3489                       
REMARK   3      S21:   0.4141 S22:  -0.0554 S23:  -0.2330                       
REMARK   3      S31:  -0.6830 S32:   0.0790 S33:   0.0992                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 74                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   332        D   369                          
REMARK   3    ORIGIN FOR THE GROUP (A):  -3.4940 -27.4650  -6.3670              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1789 T22:   0.0345                                     
REMARK   3      T33:   0.3837 T12:   0.0125                                     
REMARK   3      T13:  -0.0009 T23:   0.0655                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9371 L22:   4.4984                                     
REMARK   3      L33:   0.6776 L12:  -0.3134                                     
REMARK   3      L13:   0.2998 L23:  -0.2927                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0069 S12:   0.0768 S13:   0.1226                       
REMARK   3      S21:  -0.2894 S22:  -0.0169 S23:   0.1131                       
REMARK   3      S31:  -0.1486 S32:  -0.0777 S33:   0.0238                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 75                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   370        D   385                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.2860 -25.8120 -10.7260              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2927 T22:   0.0333                                     
REMARK   3      T33:   0.3989 T12:  -0.0380                                     
REMARK   3      T13:  -0.0068 T23:   0.0875                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.5006 L22:   1.5782                                     
REMARK   3      L33:   6.6384 L12:   0.5416                                     
REMARK   3      L13:  -1.7287 L23:  -2.6266                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0967 S12:  -0.0140 S13:  -0.0044                       
REMARK   3      S21:  -0.0571 S22:  -0.0002 S23:   0.0414                       
REMARK   3      S31:  -0.3553 S32:   0.0301 S33:  -0.0964                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 76                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   386        D   430                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.9160 -44.0610   3.5290              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1020 T22:   0.0585                                     
REMARK   3      T33:   0.3736 T12:  -0.0294                                     
REMARK   3      T13:   0.0004 T23:   0.0109                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4560 L22:   0.4215                                     
REMARK   3      L33:   1.4059 L12:  -0.4319                                     
REMARK   3      L13:   0.0857 L23:   0.0085                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0066 S12:   0.0124 S13:   0.0853                       
REMARK   3      S21:  -0.0102 S22:  -0.0207 S23:  -0.0399                       
REMARK   3      S31:  -0.0565 S32:   0.0780 S33:   0.0141                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 77                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   431        D   439                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.1570 -27.3510   2.7860              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2348 T22:   0.0837                                     
REMARK   3      T33:   0.4751 T12:  -0.0724                                     
REMARK   3      T13:  -0.0004 T23:   0.0367                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  13.3518 L22:  15.2022                                     
REMARK   3      L33:  11.8124 L12:   4.4575                                     
REMARK   3      L13:   4.6698 L23:   4.9091                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1717 S12:   0.4620 S13:   0.9138                       
REMARK   3      S21:  -0.5806 S22:  -0.2990 S23:  -0.2948                       
REMARK   3      S31:  -0.7721 S32:   0.4823 S33:   0.1273                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 78                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   440        D   456                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.9020 -46.0270   0.6080              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1222 T22:   0.0587                                     
REMARK   3      T33:   0.3795 T12:  -0.0531                                     
REMARK   3      T13:   0.0042 T23:   0.0679                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4941 L22:   4.3663                                     
REMARK   3      L33:   1.2079 L12:  -2.2977                                     
REMARK   3      L13:  -1.0950 L23:   1.1030                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0165 S12:   0.0283 S13:  -0.2001                       
REMARK   3      S21:   0.0993 S22:  -0.1197 S23:   0.3335                       
REMARK   3      S31:  -0.0312 S32:   0.0374 S33:   0.1363                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 79                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   457        D   487                          
REMARK   3    ORIGIN FOR THE GROUP (A):   6.5690 -38.6260   2.9440              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1619 T22:   0.0394                                     
REMARK   3      T33:   0.4188 T12:  -0.0356                                     
REMARK   3      T13:  -0.0174 T23:   0.0392                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1258 L22:   0.5620                                     
REMARK   3      L33:   3.5024 L12:  -0.0032                                     
REMARK   3      L13:  -0.4374 L23:  -0.9472                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0065 S12:  -0.0083 S13:   0.1109                       
REMARK   3      S21:   0.0063 S22:   0.0427 S23:  -0.0512                       
REMARK   3      S31:  -0.2002 S32:  -0.0114 S33:  -0.0491                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 80                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   D   488        D   512                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.9200 -25.0730   2.0470              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2118 T22:   0.0603                                     
REMARK   3      T33:   0.4700 T12:  -0.0698                                     
REMARK   3      T13:  -0.0270 T23:   0.0288                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9129 L22:   3.5366                                     
REMARK   3      L33:   9.0959 L12:   1.2713                                     
REMARK   3      L13:  -3.8964 L23:  -4.3175                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1239 S12:  -0.2654 S13:   0.1768                       
REMARK   3      S21:   0.1547 S22:  -0.1233 S23:  -0.2156                       
REMARK   3      S31:  -0.3121 S32:   0.5309 S33:  -0.0005                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 5JH9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-APR-16.                  
REMARK 100 THE DEPOSITION ID IS D_1000220549.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-OCT-06                          
REMARK 200  TEMPERATURE           (KELVIN) : 95                                 
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : PHOTON FACTORY                     
REMARK 200  BEAMLINE                       : AR-NW12A                           
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0000                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 123984                             
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.100                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 500.000                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 5.400                              
REMARK 200  R MERGE                    (I) : 0.04500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 20.3000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.18                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.00                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.19000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 5.400                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: 5JGF                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.43                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.89                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 50% (V/V) PEG 200, 200 MM MAGNESIUM      
REMARK 280  CHLORIDE, 100 MM SODIUM CACODYLATE, PH 6.5, VAPOR DIFFUSION,        
REMARK 280  SITTING DROP, TEMPERATURE 293K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   X+2/3,Y+1/3,Z+1/3                                       
REMARK 290       5555   -Y+2/3,X-Y+1/3,Z+1/3                                    
REMARK 290       6555   -X+Y+2/3,-X+1/3,Z+1/3                                   
REMARK 290       7555   X+1/3,Y+2/3,Z+2/3                                       
REMARK 290       8555   -Y+1/3,X-Y+2/3,Z+2/3                                    
REMARK 290       9555   -X+Y+1/3,-X+2/3,Z+2/3                                   
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   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       70.21400            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       40.53807            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000      116.30733            
REMARK 290   SMTRY1   5 -0.500000 -0.866025  0.000000       70.21400            
REMARK 290   SMTRY2   5  0.866025 -0.500000  0.000000       40.53807            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000      116.30733            
REMARK 290   SMTRY1   6 -0.500000  0.866025  0.000000       70.21400            
REMARK 290   SMTRY2   6 -0.866025 -0.500000  0.000000       40.53807            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000      116.30733            
REMARK 290   SMTRY1   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       81.07614            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000      232.61467            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       81.07614            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000      232.61467            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       81.07614            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000      232.61467            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
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: DODECAMERIC                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC                
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 90070 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 167400 ANGSTROM**2                      
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -1185.0 KCAL/MOL                      
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -0.500000 -0.866025  0.000000      -70.21400            
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000     -121.61422            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3 -0.500000  0.866025  0.000000       70.21400            
REMARK 350   BIOMT2   3 -0.866025 -0.500000  0.000000     -121.61422            
REMARK 350   BIOMT3   3  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     GLY A    -1                                                      
REMARK 465     PRO A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     GLU A     2                                                      
REMARK 465     GLU A     3                                                      
REMARK 465     GLN A     4                                                      
REMARK 465     ARG A     5                                                      
REMARK 465     GLU A     6                                                      
REMARK 465     ILE A     7                                                      
REMARK 465     LEU A     8                                                      
REMARK 465     GLU A     9                                                      
REMARK 465     GLN A    10                                                      
REMARK 465     SER A    11                                                      
REMARK 465     LYS A    12                                                      
REMARK 465     LYS A    13                                                      
REMARK 465     THR A    14                                                      
REMARK 465     LEU A    15                                                      
REMARK 465     GLN A    16                                                      
REMARK 465     MET A    17                                                      
REMARK 465     LEU A    18                                                      
REMARK 465     THR A    19                                                      
REMARK 465     VAL A    20                                                      
REMARK 465     GLU A    21                                                      
REMARK 465     PRO A    22                                                      
REMARK 465     SER A    23                                                      
REMARK 465     LYS A    24                                                      
REMARK 465     ASN A    25                                                      
REMARK 465     ASN A    26                                                      
REMARK 465     GLN A    27                                                      
REMARK 465     ILE A    28                                                      
REMARK 465     ALA A    29                                                      
REMARK 465     ASN A    30                                                      
REMARK 465     GLU A    31                                                      
REMARK 465     GLU A    32                                                      
REMARK 465     ASP A   235                                                      
REMARK 465     GLU A   236                                                      
REMARK 465     GLU A   237                                                      
REMARK 465     GLY A   238                                                      
REMARK 465     ASN A   239                                                      
REMARK 465     GLU A   513                                                      
REMARK 465     LEU A   514                                                      
REMARK 465     GLY B    -1                                                      
REMARK 465     PRO B     0                                                      
REMARK 465     MET B     1                                                      
REMARK 465     GLU B     2                                                      
REMARK 465     GLU B     3                                                      
REMARK 465     GLN B     4                                                      
REMARK 465     ARG B     5                                                      
REMARK 465     GLU B     6                                                      
REMARK 465     ILE B     7                                                      
REMARK 465     LEU B     8                                                      
REMARK 465     GLU B     9                                                      
REMARK 465     GLN B    10                                                      
REMARK 465     SER B    11                                                      
REMARK 465     LYS B    12                                                      
REMARK 465     LYS B    13                                                      
REMARK 465     THR B    14                                                      
REMARK 465     LEU B    15                                                      
REMARK 465     GLN B    16                                                      
REMARK 465     MET B    17                                                      
REMARK 465     LEU B    18                                                      
REMARK 465     THR B    19                                                      
REMARK 465     VAL B    20                                                      
REMARK 465     GLU B    21                                                      
REMARK 465     PRO B    22                                                      
REMARK 465     SER B    23                                                      
REMARK 465     LYS B    24                                                      
REMARK 465     ASN B    25                                                      
REMARK 465     ASN B    26                                                      
REMARK 465     GLN B    27                                                      
REMARK 465     ILE B    28                                                      
REMARK 465     ALA B    29                                                      
REMARK 465     ASN B    30                                                      
REMARK 465     ASP B   235                                                      
REMARK 465     GLU B   236                                                      
REMARK 465     GLU B   237                                                      
REMARK 465     GLY B   238                                                      
REMARK 465     ASN B   239                                                      
REMARK 465     GLU B   513                                                      
REMARK 465     LEU B   514                                                      
REMARK 465     GLY C    -1                                                      
REMARK 465     PRO C     0                                                      
REMARK 465     MET C     1                                                      
REMARK 465     GLU C     2                                                      
REMARK 465     GLU C     3                                                      
REMARK 465     GLN C     4                                                      
REMARK 465     ARG C     5                                                      
REMARK 465     GLU C     6                                                      
REMARK 465     ILE C     7                                                      
REMARK 465     LEU C     8                                                      
REMARK 465     GLU C     9                                                      
REMARK 465     GLN C    10                                                      
REMARK 465     SER C    11                                                      
REMARK 465     LYS C    12                                                      
REMARK 465     LYS C    13                                                      
REMARK 465     THR C    14                                                      
REMARK 465     LEU C    15                                                      
REMARK 465     GLN C    16                                                      
REMARK 465     MET C    17                                                      
REMARK 465     LEU C    18                                                      
REMARK 465     THR C    19                                                      
REMARK 465     VAL C    20                                                      
REMARK 465     GLU C    21                                                      
REMARK 465     PRO C    22                                                      
REMARK 465     SER C    23                                                      
REMARK 465     LYS C    24                                                      
REMARK 465     ASN C    25                                                      
REMARK 465     ASN C    26                                                      
REMARK 465     GLN C    27                                                      
REMARK 465     ILE C    28                                                      
REMARK 465     ALA C    29                                                      
REMARK 465     ASN C    30                                                      
REMARK 465     GLU C    31                                                      
REMARK 465     GLU C    32                                                      
REMARK 465     LYS C    33                                                      
REMARK 465     GLU C    34                                                      
REMARK 465     ASP C   235                                                      
REMARK 465     GLU C   236                                                      
REMARK 465     GLU C   237                                                      
REMARK 465     GLY C   238                                                      
REMARK 465     ASN C   239                                                      
REMARK 465     GLU C   513                                                      
REMARK 465     LEU C   514                                                      
REMARK 465     GLY D    -1                                                      
REMARK 465     PRO D     0                                                      
REMARK 465     MET D     1                                                      
REMARK 465     GLU D     2                                                      
REMARK 465     GLU D     3                                                      
REMARK 465     GLN D     4                                                      
REMARK 465     ARG D     5                                                      
REMARK 465     GLU D     6                                                      
REMARK 465     ILE D     7                                                      
REMARK 465     LEU D     8                                                      
REMARK 465     GLU D     9                                                      
REMARK 465     GLN D    10                                                      
REMARK 465     SER D    11                                                      
REMARK 465     LYS D    12                                                      
REMARK 465     LYS D    13                                                      
REMARK 465     THR D    14                                                      
REMARK 465     LEU D    15                                                      
REMARK 465     GLN D    16                                                      
REMARK 465     MET D    17                                                      
REMARK 465     LEU D    18                                                      
REMARK 465     THR D    19                                                      
REMARK 465     VAL D    20                                                      
REMARK 465     GLU D    21                                                      
REMARK 465     PRO D    22                                                      
REMARK 465     SER D    23                                                      
REMARK 465     LYS D    24                                                      
REMARK 465     ASN D    25                                                      
REMARK 465     ASN D    26                                                      
REMARK 465     GLN D    27                                                      
REMARK 465     ILE D    28                                                      
REMARK 465     ALA D    29                                                      
REMARK 465     ASN D    30                                                      
REMARK 465     GLU D    31                                                      
REMARK 465     GLU D    32                                                      
REMARK 465     LYS D    33                                                      
REMARK 465     GLU D    34                                                      
REMARK 465     GLU D   236                                                      
REMARK 465     GLU D   237                                                      
REMARK 465     GLY D   238                                                      
REMARK 465     GLU D   513                                                      
REMARK 465     LEU D   514                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     LYS A  33    CG   CD   CE   NZ                                   
REMARK 470     GLU A  34    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  35    CG   CD   CE   NZ                                   
REMARK 470     LYS A  36    CG   CD   CE   NZ                                   
REMARK 470     GLU A  37    CG   CD   OE1  OE2                                  
REMARK 470     ASN A  38    CG   OD1  ND2                                       
REMARK 470     GLU A  39    CG   CD   OE1  OE2                                  
REMARK 470     ASN A  40    CG   OD1  ND2                                       
REMARK 470     GLU A  46    CG   CD   OE1  OE2                                  
REMARK 470     HIS A  47    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS A  79    CG   CD   CE   NZ                                   
REMARK 470     LYS A  83    CG   CD   CE   NZ                                   
REMARK 470     GLU A 188    CG   CD   OE1  OE2                                  
REMARK 470     GLU A 240    CG   CD   OE1  OE2                                  
REMARK 470     LYS A 248    CG   CD   CE   NZ                                   
REMARK 470     LYS A 320    CG   CD   CE   NZ                                   
REMARK 470     LYS A 367    CG   CD   CE   NZ                                   
REMARK 470     LYS A 368    CG   CD   CE   NZ                                   
REMARK 470     GLU B  31    CG   CD   OE1  OE2                                  
REMARK 470     GLU B  32    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  33    CG   CD   CE   NZ                                   
REMARK 470     GLU B  34    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  35    CG   CD   CE   NZ                                   
REMARK 470     LYS B  36    CG   CD   CE   NZ                                   
REMARK 470     GLU B  37    CG   CD   OE1  OE2                                  
REMARK 470     ASN B  40    CG   OD1  ND2                                       
REMARK 470     GLU B  46    CG   CD   OE1  OE2                                  
REMARK 470     HIS B  47    CG   ND1  CD2  CE1  NE2                             
REMARK 470     GLU B  50    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 188    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 213    CG   CD   CE   NZ                                   
REMARK 470     GLU B 240    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 265    CG   CD   CE   NZ                                   
REMARK 470     LYS B 320    CG   CD   CE   NZ                                   
REMARK 470     LYS B 368    CG   CD   CE   NZ                                   
REMARK 470     LYS C  35    CG   CD   CE   NZ                                   
REMARK 470     GLU C  37    CG   CD   OE1  OE2                                  
REMARK 470     ASN C  40    CG   OD1  ND2                                       
REMARK 470     GLU C  46    CG   CD   OE1  OE2                                  
REMARK 470     HIS C  47    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS C 213    CG   CD   CE   NZ                                   
REMARK 470     GLU C 240    CG   CD   OE1  OE2                                  
REMARK 470     LYS C 248    CG   CD   CE   NZ                                   
REMARK 470     LYS C 265    CG   CD   CE   NZ                                   
REMARK 470     LYS C 368    CG   CD   CE   NZ                                   
REMARK 470     LYS D  35    CG   CD   CE   NZ                                   
REMARK 470     LYS D  36    CG   CD   CE   NZ                                   
REMARK 470     GLU D  37    CG   CD   OE1  OE2                                  
REMARK 470     GLU D  39    CG   CD   OE1  OE2                                  
REMARK 470     ASN D  40    CG   OD1  ND2                                       
REMARK 470     GLU D  46    CG   CD   OE1  OE2                                  
REMARK 470     HIS D  47    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS D 213    CG   CD   CE   NZ                                   
REMARK 470     GLU D 240    CG   CD   OE1  OE2                                  
REMARK 470     LYS D 368    CG   CD   CE   NZ                                   
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A 165     -169.65   -110.29                                   
REMARK 500    SER A 450     -161.06   -112.12                                   
REMARK 500    ASN B 165     -169.92   -109.35                                   
REMARK 500    ASP B 195      117.52   -163.87                                   
REMARK 500    SER B 343       -0.03     73.23                                   
REMARK 500    SER B 450     -160.38   -111.50                                   
REMARK 500    ASN C 165     -168.23   -113.86                                   
REMARK 500    THR C 225       65.45   -100.39                                   
REMARK 500    SER C 450     -161.54   -117.20                                   
REMARK 500    HIS C 479       -0.44     74.00                                   
REMARK 500    HIS D 402       42.45   -140.18                                   
REMARK 500    SER D 450     -160.81   -115.15                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 601  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A 303   OD1                                                    
REMARK 620 2 ASP A 385   OD1  99.0                                              
REMARK 620 3 ASP A 385   OD2 152.4  55.6                                        
REMARK 620 4 HOH A 765   O    98.9  87.3  91.3                                  
REMARK 620 5 CAC A 603   O1  106.6 149.3  95.4 104.8                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 602  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A 303   OD2                                                    
REMARK 620 2 GLU A 340   OE1 149.8                                              
REMARK 620 3 GLU A 340   OE2  94.0  55.9                                        
REMARK 620 4 HIS A 479   NE2 107.9  82.9 100.9                                  
REMARK 620 5 CAC A 603   O1   94.5  83.0  87.9 155.1                            
REMARK 620 6 CAC A 603   O2  109.7  98.2 149.6  89.9  72.0                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN B 601  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP B 303   OD1                                                    
REMARK 620 2 ASP B 385   OD1  95.2                                              
REMARK 620 3 ASP B 385   OD2 147.1  53.6                                        
REMARK 620 4 CAC B 603   O1  107.1 151.4 100.3                                  
REMARK 620 5 HOH B 852   O    97.0  85.4  91.1 108.7                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN B 602  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP B 303   OD2                                                    
REMARK 620 2 GLU B 340   OE1 150.2                                              
REMARK 620 3 GLU B 340   OE2  96.2  54.0                                        
REMARK 620 4 HIS B 479   NE2 103.4  83.3 101.3                                  
REMARK 620 5 CAC B 603   O2  109.1  99.8 149.2  89.8                            
REMARK 620 6 CAC B 603   O1   99.3  82.2  86.3 155.1  72.9                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN C 601  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS C 132   NE2                                                    
REMARK 620 2 ASP C 303   OD1  79.9                                              
REMARK 620 3 ASP C 385   OD1  91.0  98.1                                        
REMARK 620 4 ASP C 385   OD2  88.4 152.5  57.0                                  
REMARK 620 5 HOH C 861   O   175.1  95.7  91.7  96.4                            
REMARK 620 6 CAC C 603   O1   82.8 103.8 155.7  99.2  96.4                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN C 602  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP C 303   OD2                                                    
REMARK 620 2 GLU C 340   OE1 153.4                                              
REMARK 620 3 GLU C 340   OE2  97.1  56.4                                        
REMARK 620 4 HIS C 479   NE2 100.5  84.5 103.3                                  
REMARK 620 5 CAC C 603   O2  108.7  97.5 149.2  88.6                            
REMARK 620 6 CAC C 603   O1   99.5  83.5  87.1 156.1  72.6                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN D 601  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS D 132   NE2                                                    
REMARK 620 2 ASP D 303   OD1  81.6                                              
REMARK 620 3 ASP D 385   OD1  87.5  93.2                                        
REMARK 620 4 ASP D 385   OD2  91.4 148.5  55.6                                  
REMARK 620 5 CAC D 603   O1   89.2 112.8 153.0  97.7                            
REMARK 620 6 HOH D 829   O   169.6  92.1  84.6  89.6 100.9                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN D 602  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP D 303   OD2                                                    
REMARK 620 2 GLU D 340   OE1 149.9                                              
REMARK 620 3 GLU D 340   OE2  94.2  55.7                                        
REMARK 620 4 HIS D 479   NE2  99.5  88.9 106.3                                  
REMARK 620 5 CAC D 603   O2  108.2 100.6 149.7  90.1                            
REMARK 620 6 CAC D 603   O1   98.5  83.4  88.0 156.0  69.2                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 601                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 602                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC A 603                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC A 604                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 601                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN B 602                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC B 603                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC B 604                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN C 601                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN C 602                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC C 603                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC C 604                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN D 601                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN D 602                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC D 603                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AD7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CAC D 604                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 5JHC   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 5JGF   RELATED DB: PDB                                   
DBREF  5JH9 A    1   514  UNP    P14904   AMPL_YEAST       1    514             
DBREF  5JH9 B    1   514  UNP    P14904   AMPL_YEAST       1    514             
DBREF  5JH9 C    1   514  UNP    P14904   AMPL_YEAST       1    514             
DBREF  5JH9 D    1   514  UNP    P14904   AMPL_YEAST       1    514             
SEQADV 5JH9 GLY A   -1  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 PRO A    0  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 SER A   11  UNP  P14904    LEU    11 ENGINEERED MUTATION            
SEQADV 5JH9 GLY B   -1  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 PRO B    0  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 SER B   11  UNP  P14904    LEU    11 ENGINEERED MUTATION            
SEQADV 5JH9 GLY C   -1  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 PRO C    0  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 SER C   11  UNP  P14904    LEU    11 ENGINEERED MUTATION            
SEQADV 5JH9 GLY D   -1  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 PRO D    0  UNP  P14904              EXPRESSION TAG                 
SEQADV 5JH9 SER D   11  UNP  P14904    LEU    11 ENGINEERED MUTATION            
SEQRES   1 A  516  GLY PRO MET GLU GLU GLN ARG GLU ILE LEU GLU GLN SER          
SEQRES   2 A  516  LYS LYS THR LEU GLN MET LEU THR VAL GLU PRO SER LYS          
SEQRES   3 A  516  ASN ASN GLN ILE ALA ASN GLU GLU LYS GLU LYS LYS GLU          
SEQRES   4 A  516  ASN GLU ASN SER TRP CYS ILE LEU GLU HIS ASN TYR GLU          
SEQRES   5 A  516  ASP ILE ALA GLN GLU PHE ILE ASP PHE ILE TYR LYS ASN          
SEQRES   6 A  516  PRO THR THR TYR HIS VAL VAL SER PHE PHE ALA GLU LEU          
SEQRES   7 A  516  LEU ASP LYS HIS ASN PHE LYS TYR LEU SER GLU LYS SER          
SEQRES   8 A  516  ASN TRP GLN ASP SER ILE GLY GLU ASP GLY GLY LYS PHE          
SEQRES   9 A  516  TYR THR ILE ARG ASN GLY THR ASN LEU SER ALA PHE ILE          
SEQRES  10 A  516  LEU GLY LYS ASN TRP ARG ALA GLU LYS GLY VAL GLY VAL          
SEQRES  11 A  516  ILE GLY SER HIS VAL ASP ALA LEU THR VAL LYS LEU LYS          
SEQRES  12 A  516  PRO VAL SER PHE LYS ASP THR ALA GLU GLY TYR GLY ARG          
SEQRES  13 A  516  ILE ALA VAL ALA PRO TYR GLY GLY THR LEU ASN GLU LEU          
SEQRES  14 A  516  TRP LEU ASP ARG ASP LEU GLY ILE GLY GLY ARG LEU LEU          
SEQRES  15 A  516  TYR LYS LYS LYS GLY THR ASN GLU ILE LYS SER ALA LEU          
SEQRES  16 A  516  VAL ASP SER THR PRO LEU PRO VAL CYS ARG ILE PRO SER          
SEQRES  17 A  516  LEU ALA PRO HIS PHE GLY LYS PRO ALA GLU GLY PRO PHE          
SEQRES  18 A  516  ASP LYS GLU ASP GLN THR ILE PRO VAL ILE GLY PHE PRO          
SEQRES  19 A  516  THR PRO ASP GLU GLU GLY ASN GLU PRO PRO THR ASP ASP          
SEQRES  20 A  516  GLU LYS LYS SER PRO LEU PHE GLY LYS HIS CYS ILE HIS          
SEQRES  21 A  516  LEU LEU ARG TYR VAL ALA LYS LEU ALA GLY VAL GLU VAL          
SEQRES  22 A  516  SER GLU LEU ILE GLN MET ASP LEU ASP LEU PHE ASP VAL          
SEQRES  23 A  516  GLN LYS GLY THR ILE GLY GLY ILE GLY LYS HIS PHE LEU          
SEQRES  24 A  516  PHE ALA PRO ARG LEU ASP ASP ARG LEU CYS SER PHE ALA          
SEQRES  25 A  516  ALA MET ILE ALA LEU ILE CYS TYR ALA LYS ASP VAL ASN          
SEQRES  26 A  516  THR GLU GLU SER ASP LEU PHE SER THR VAL THR LEU TYR          
SEQRES  27 A  516  ASP ASN GLU GLU ILE GLY SER LEU THR ARG GLN GLY ALA          
SEQRES  28 A  516  LYS GLY GLY LEU LEU GLU SER VAL VAL GLU ARG SER SER          
SEQRES  29 A  516  SER ALA PHE THR LYS LYS PRO VAL ASP LEU HIS THR VAL          
SEQRES  30 A  516  TRP ALA ASN SER ILE ILE LEU SER ALA ASP VAL ASN HIS          
SEQRES  31 A  516  LEU TYR ASN PRO ASN PHE PRO GLU VAL TYR LEU LYS ASN          
SEQRES  32 A  516  HIS PHE PRO VAL PRO ASN VAL GLY ILE THR LEU SER LEU          
SEQRES  33 A  516  ASP PRO ASN GLY HIS MET ALA THR ASP VAL VAL GLY THR          
SEQRES  34 A  516  ALA LEU VAL GLU GLU LEU ALA ARG ARG ASN GLY ASP LYS          
SEQRES  35 A  516  VAL GLN TYR PHE GLN ILE LYS ASN ASN SER ARG SER GLY          
SEQRES  36 A  516  GLY THR ILE GLY PRO SER LEU ALA SER GLN THR GLY ALA          
SEQRES  37 A  516  ARG THR ILE ASP LEU GLY ILE ALA GLN LEU SER MET HIS          
SEQRES  38 A  516  SER ILE ARG ALA ALA THR GLY SER LYS ASP VAL GLY LEU          
SEQRES  39 A  516  GLY VAL LYS PHE PHE ASN GLY PHE PHE LYS HIS TRP ARG          
SEQRES  40 A  516  SER VAL TYR ASP GLU PHE GLY GLU LEU                          
SEQRES   1 B  516  GLY PRO MET GLU GLU GLN ARG GLU ILE LEU GLU GLN SER          
SEQRES   2 B  516  LYS LYS THR LEU GLN MET LEU THR VAL GLU PRO SER LYS          
SEQRES   3 B  516  ASN ASN GLN ILE ALA ASN GLU GLU LYS GLU LYS LYS GLU          
SEQRES   4 B  516  ASN GLU ASN SER TRP CYS ILE LEU GLU HIS ASN TYR GLU          
SEQRES   5 B  516  ASP ILE ALA GLN GLU PHE ILE ASP PHE ILE TYR LYS ASN          
SEQRES   6 B  516  PRO THR THR TYR HIS VAL VAL SER PHE PHE ALA GLU LEU          
SEQRES   7 B  516  LEU ASP LYS HIS ASN PHE LYS TYR LEU SER GLU LYS SER          
SEQRES   8 B  516  ASN TRP GLN ASP SER ILE GLY GLU ASP GLY GLY LYS PHE          
SEQRES   9 B  516  TYR THR ILE ARG ASN GLY THR ASN LEU SER ALA PHE ILE          
SEQRES  10 B  516  LEU GLY LYS ASN TRP ARG ALA GLU LYS GLY VAL GLY VAL          
SEQRES  11 B  516  ILE GLY SER HIS VAL ASP ALA LEU THR VAL LYS LEU LYS          
SEQRES  12 B  516  PRO VAL SER PHE LYS ASP THR ALA GLU GLY TYR GLY ARG          
SEQRES  13 B  516  ILE ALA VAL ALA PRO TYR GLY GLY THR LEU ASN GLU LEU          
SEQRES  14 B  516  TRP LEU ASP ARG ASP LEU GLY ILE GLY GLY ARG LEU LEU          
SEQRES  15 B  516  TYR LYS LYS LYS GLY THR ASN GLU ILE LYS SER ALA LEU          
SEQRES  16 B  516  VAL ASP SER THR PRO LEU PRO VAL CYS ARG ILE PRO SER          
SEQRES  17 B  516  LEU ALA PRO HIS PHE GLY LYS PRO ALA GLU GLY PRO PHE          
SEQRES  18 B  516  ASP LYS GLU ASP GLN THR ILE PRO VAL ILE GLY PHE PRO          
SEQRES  19 B  516  THR PRO ASP GLU GLU GLY ASN GLU PRO PRO THR ASP ASP          
SEQRES  20 B  516  GLU LYS LYS SER PRO LEU PHE GLY LYS HIS CYS ILE HIS          
SEQRES  21 B  516  LEU LEU ARG TYR VAL ALA LYS LEU ALA GLY VAL GLU VAL          
SEQRES  22 B  516  SER GLU LEU ILE GLN MET ASP LEU ASP LEU PHE ASP VAL          
SEQRES  23 B  516  GLN LYS GLY THR ILE GLY GLY ILE GLY LYS HIS PHE LEU          
SEQRES  24 B  516  PHE ALA PRO ARG LEU ASP ASP ARG LEU CYS SER PHE ALA          
SEQRES  25 B  516  ALA MET ILE ALA LEU ILE CYS TYR ALA LYS ASP VAL ASN          
SEQRES  26 B  516  THR GLU GLU SER ASP LEU PHE SER THR VAL THR LEU TYR          
SEQRES  27 B  516  ASP ASN GLU GLU ILE GLY SER LEU THR ARG GLN GLY ALA          
SEQRES  28 B  516  LYS GLY GLY LEU LEU GLU SER VAL VAL GLU ARG SER SER          
SEQRES  29 B  516  SER ALA PHE THR LYS LYS PRO VAL ASP LEU HIS THR VAL          
SEQRES  30 B  516  TRP ALA ASN SER ILE ILE LEU SER ALA ASP VAL ASN HIS          
SEQRES  31 B  516  LEU TYR ASN PRO ASN PHE PRO GLU VAL TYR LEU LYS ASN          
SEQRES  32 B  516  HIS PHE PRO VAL PRO ASN VAL GLY ILE THR LEU SER LEU          
SEQRES  33 B  516  ASP PRO ASN GLY HIS MET ALA THR ASP VAL VAL GLY THR          
SEQRES  34 B  516  ALA LEU VAL GLU GLU LEU ALA ARG ARG ASN GLY ASP LYS          
SEQRES  35 B  516  VAL GLN TYR PHE GLN ILE LYS ASN ASN SER ARG SER GLY          
SEQRES  36 B  516  GLY THR ILE GLY PRO SER LEU ALA SER GLN THR GLY ALA          
SEQRES  37 B  516  ARG THR ILE ASP LEU GLY ILE ALA GLN LEU SER MET HIS          
SEQRES  38 B  516  SER ILE ARG ALA ALA THR GLY SER LYS ASP VAL GLY LEU          
SEQRES  39 B  516  GLY VAL LYS PHE PHE ASN GLY PHE PHE LYS HIS TRP ARG          
SEQRES  40 B  516  SER VAL TYR ASP GLU PHE GLY GLU LEU                          
SEQRES   1 C  516  GLY PRO MET GLU GLU GLN ARG GLU ILE LEU GLU GLN SER          
SEQRES   2 C  516  LYS LYS THR LEU GLN MET LEU THR VAL GLU PRO SER LYS          
SEQRES   3 C  516  ASN ASN GLN ILE ALA ASN GLU GLU LYS GLU LYS LYS GLU          
SEQRES   4 C  516  ASN GLU ASN SER TRP CYS ILE LEU GLU HIS ASN TYR GLU          
SEQRES   5 C  516  ASP ILE ALA GLN GLU PHE ILE ASP PHE ILE TYR LYS ASN          
SEQRES   6 C  516  PRO THR THR TYR HIS VAL VAL SER PHE PHE ALA GLU LEU          
SEQRES   7 C  516  LEU ASP LYS HIS ASN PHE LYS TYR LEU SER GLU LYS SER          
SEQRES   8 C  516  ASN TRP GLN ASP SER ILE GLY GLU ASP GLY GLY LYS PHE          
SEQRES   9 C  516  TYR THR ILE ARG ASN GLY THR ASN LEU SER ALA PHE ILE          
SEQRES  10 C  516  LEU GLY LYS ASN TRP ARG ALA GLU LYS GLY VAL GLY VAL          
SEQRES  11 C  516  ILE GLY SER HIS VAL ASP ALA LEU THR VAL LYS LEU LYS          
SEQRES  12 C  516  PRO VAL SER PHE LYS ASP THR ALA GLU GLY TYR GLY ARG          
SEQRES  13 C  516  ILE ALA VAL ALA PRO TYR GLY GLY THR LEU ASN GLU LEU          
SEQRES  14 C  516  TRP LEU ASP ARG ASP LEU GLY ILE GLY GLY ARG LEU LEU          
SEQRES  15 C  516  TYR LYS LYS LYS GLY THR ASN GLU ILE LYS SER ALA LEU          
SEQRES  16 C  516  VAL ASP SER THR PRO LEU PRO VAL CYS ARG ILE PRO SER          
SEQRES  17 C  516  LEU ALA PRO HIS PHE GLY LYS PRO ALA GLU GLY PRO PHE          
SEQRES  18 C  516  ASP LYS GLU ASP GLN THR ILE PRO VAL ILE GLY PHE PRO          
SEQRES  19 C  516  THR PRO ASP GLU GLU GLY ASN GLU PRO PRO THR ASP ASP          
SEQRES  20 C  516  GLU LYS LYS SER PRO LEU PHE GLY LYS HIS CYS ILE HIS          
SEQRES  21 C  516  LEU LEU ARG TYR VAL ALA LYS LEU ALA GLY VAL GLU VAL          
SEQRES  22 C  516  SER GLU LEU ILE GLN MET ASP LEU ASP LEU PHE ASP VAL          
SEQRES  23 C  516  GLN LYS GLY THR ILE GLY GLY ILE GLY LYS HIS PHE LEU          
SEQRES  24 C  516  PHE ALA PRO ARG LEU ASP ASP ARG LEU CYS SER PHE ALA          
SEQRES  25 C  516  ALA MET ILE ALA LEU ILE CYS TYR ALA LYS ASP VAL ASN          
SEQRES  26 C  516  THR GLU GLU SER ASP LEU PHE SER THR VAL THR LEU TYR          
SEQRES  27 C  516  ASP ASN GLU GLU ILE GLY SER LEU THR ARG GLN GLY ALA          
SEQRES  28 C  516  LYS GLY GLY LEU LEU GLU SER VAL VAL GLU ARG SER SER          
SEQRES  29 C  516  SER ALA PHE THR LYS LYS PRO VAL ASP LEU HIS THR VAL          
SEQRES  30 C  516  TRP ALA ASN SER ILE ILE LEU SER ALA ASP VAL ASN HIS          
SEQRES  31 C  516  LEU TYR ASN PRO ASN PHE PRO GLU VAL TYR LEU LYS ASN          
SEQRES  32 C  516  HIS PHE PRO VAL PRO ASN VAL GLY ILE THR LEU SER LEU          
SEQRES  33 C  516  ASP PRO ASN GLY HIS MET ALA THR ASP VAL VAL GLY THR          
SEQRES  34 C  516  ALA LEU VAL GLU GLU LEU ALA ARG ARG ASN GLY ASP LYS          
SEQRES  35 C  516  VAL GLN TYR PHE GLN ILE LYS ASN ASN SER ARG SER GLY          
SEQRES  36 C  516  GLY THR ILE GLY PRO SER LEU ALA SER GLN THR GLY ALA          
SEQRES  37 C  516  ARG THR ILE ASP LEU GLY ILE ALA GLN LEU SER MET HIS          
SEQRES  38 C  516  SER ILE ARG ALA ALA THR GLY SER LYS ASP VAL GLY LEU          
SEQRES  39 C  516  GLY VAL LYS PHE PHE ASN GLY PHE PHE LYS HIS TRP ARG          
SEQRES  40 C  516  SER VAL TYR ASP GLU PHE GLY GLU LEU                          
SEQRES   1 D  516  GLY PRO MET GLU GLU GLN ARG GLU ILE LEU GLU GLN SER          
SEQRES   2 D  516  LYS LYS THR LEU GLN MET LEU THR VAL GLU PRO SER LYS          
SEQRES   3 D  516  ASN ASN GLN ILE ALA ASN GLU GLU LYS GLU LYS LYS GLU          
SEQRES   4 D  516  ASN GLU ASN SER TRP CYS ILE LEU GLU HIS ASN TYR GLU          
SEQRES   5 D  516  ASP ILE ALA GLN GLU PHE ILE ASP PHE ILE TYR LYS ASN          
SEQRES   6 D  516  PRO THR THR TYR HIS VAL VAL SER PHE PHE ALA GLU LEU          
SEQRES   7 D  516  LEU ASP LYS HIS ASN PHE LYS TYR LEU SER GLU LYS SER          
SEQRES   8 D  516  ASN TRP GLN ASP SER ILE GLY GLU ASP GLY GLY LYS PHE          
SEQRES   9 D  516  TYR THR ILE ARG ASN GLY THR ASN LEU SER ALA PHE ILE          
SEQRES  10 D  516  LEU GLY LYS ASN TRP ARG ALA GLU LYS GLY VAL GLY VAL          
SEQRES  11 D  516  ILE GLY SER HIS VAL ASP ALA LEU THR VAL LYS LEU LYS          
SEQRES  12 D  516  PRO VAL SER PHE LYS ASP THR ALA GLU GLY TYR GLY ARG          
SEQRES  13 D  516  ILE ALA VAL ALA PRO TYR GLY GLY THR LEU ASN GLU LEU          
SEQRES  14 D  516  TRP LEU ASP ARG ASP LEU GLY ILE GLY GLY ARG LEU LEU          
SEQRES  15 D  516  TYR LYS LYS LYS GLY THR ASN GLU ILE LYS SER ALA LEU          
SEQRES  16 D  516  VAL ASP SER THR PRO LEU PRO VAL CYS ARG ILE PRO SER          
SEQRES  17 D  516  LEU ALA PRO HIS PHE GLY LYS PRO ALA GLU GLY PRO PHE          
SEQRES  18 D  516  ASP LYS GLU ASP GLN THR ILE PRO VAL ILE GLY PHE PRO          
SEQRES  19 D  516  THR PRO ASP GLU GLU GLY ASN GLU PRO PRO THR ASP ASP          
SEQRES  20 D  516  GLU LYS LYS SER PRO LEU PHE GLY LYS HIS CYS ILE HIS          
SEQRES  21 D  516  LEU LEU ARG TYR VAL ALA LYS LEU ALA GLY VAL GLU VAL          
SEQRES  22 D  516  SER GLU LEU ILE GLN MET ASP LEU ASP LEU PHE ASP VAL          
SEQRES  23 D  516  GLN LYS GLY THR ILE GLY GLY ILE GLY LYS HIS PHE LEU          
SEQRES  24 D  516  PHE ALA PRO ARG LEU ASP ASP ARG LEU CYS SER PHE ALA          
SEQRES  25 D  516  ALA MET ILE ALA LEU ILE CYS TYR ALA LYS ASP VAL ASN          
SEQRES  26 D  516  THR GLU GLU SER ASP LEU PHE SER THR VAL THR LEU TYR          
SEQRES  27 D  516  ASP ASN GLU GLU ILE GLY SER LEU THR ARG GLN GLY ALA          
SEQRES  28 D  516  LYS GLY GLY LEU LEU GLU SER VAL VAL GLU ARG SER SER          
SEQRES  29 D  516  SER ALA PHE THR LYS LYS PRO VAL ASP LEU HIS THR VAL          
SEQRES  30 D  516  TRP ALA ASN SER ILE ILE LEU SER ALA ASP VAL ASN HIS          
SEQRES  31 D  516  LEU TYR ASN PRO ASN PHE PRO GLU VAL TYR LEU LYS ASN          
SEQRES  32 D  516  HIS PHE PRO VAL PRO ASN VAL GLY ILE THR LEU SER LEU          
SEQRES  33 D  516  ASP PRO ASN GLY HIS MET ALA THR ASP VAL VAL GLY THR          
SEQRES  34 D  516  ALA LEU VAL GLU GLU LEU ALA ARG ARG ASN GLY ASP LYS          
SEQRES  35 D  516  VAL GLN TYR PHE GLN ILE LYS ASN ASN SER ARG SER GLY          
SEQRES  36 D  516  GLY THR ILE GLY PRO SER LEU ALA SER GLN THR GLY ALA          
SEQRES  37 D  516  ARG THR ILE ASP LEU GLY ILE ALA GLN LEU SER MET HIS          
SEQRES  38 D  516  SER ILE ARG ALA ALA THR GLY SER LYS ASP VAL GLY LEU          
SEQRES  39 D  516  GLY VAL LYS PHE PHE ASN GLY PHE PHE LYS HIS TRP ARG          
SEQRES  40 D  516  SER VAL TYR ASP GLU PHE GLY GLU LEU                          
HET     ZN  A 601       1                                                       
HET     ZN  A 602       1                                                       
HET    CAC  A 603       5                                                       
HET    CAC  A 604       5                                                       
HET     ZN  B 601       1                                                       
HET     ZN  B 602       1                                                       
HET    CAC  B 603       5                                                       
HET    CAC  B 604       5                                                       
HET     ZN  C 601       1                                                       
HET     ZN  C 602       1                                                       
HET    CAC  C 603       5                                                       
HET    CAC  C 604       5                                                       
HET     ZN  D 601       1                                                       
HET     ZN  D 602       1                                                       
HET    CAC  D 603       5                                                       
HET    CAC  D 604       5                                                       
HETNAM      ZN ZINC ION                                                         
HETNAM     CAC CACODYLATE ION                                                   
HETSYN     CAC DIMETHYLARSINATE                                                 
FORMUL   5   ZN    8(ZN 2+)                                                     
FORMUL   7  CAC    8(C2 H6 AS O2 1-)                                            
FORMUL  21  HOH   *819(H2 O)                                                    
HELIX    1 AA1 LYS A   33  ILE A   44  1                                  12    
HELIX    2 AA2 ASN A   48  ASN A   63  1                                  16    
HELIX    3 AA3 THR A   65  HIS A   80  1                                  16    
HELIX    4 AA4 ARG A  121  GLY A  125  5                                   5    
HELIX    5 AA5 ASN A  165  LEU A  169  5                                   5    
HELIX    6 AA6 ALA A  208  GLU A  216  5                                   9    
HELIX    7 AA7 THR A  243  LYS A  248  1                                   6    
HELIX    8 AA8 CYS A  256  GLY A  268  1                                  13    
HELIX    9 AA9 GLU A  270  SER A  272  5                                   3    
HELIX   10 AB1 ARG A  301  ASP A  321  1                                  21    
HELIX   11 AB2 ASN A  338  GLY A  342  5                                   5    
HELIX   12 AB3 GLY A  348  GLY A  351  5                                   4    
HELIX   13 AB4 GLY A  352  LYS A  367  1                                  16    
HELIX   14 AB5 ASP A  371  ASN A  378  1                                   8    
HELIX   15 AB6 PHE A  394  TYR A  398  5                                   5    
HELIX   16 AB7 ASP A  423  GLY A  438  1                                  16    
HELIX   17 AB8 ILE A  456  GLY A  465  1                                  10    
HELIX   18 AB9 LYS A  488  ASP A  509  1                                  22    
HELIX   19 AC1 GLU A  510  GLY A  512  5                                   3    
HELIX   20 AC2 GLU B   32  CYS B   43  1                                  12    
HELIX   21 AC3 TYR B   49  ASN B   63  1                                  15    
HELIX   22 AC4 THR B   65  HIS B   80  1                                  16    
HELIX   23 AC5 ARG B  121  GLY B  125  5                                   5    
HELIX   24 AC6 ASN B  165  LEU B  169  5                                   5    
HELIX   25 AC7 ALA B  208  GLU B  216  5                                   9    
HELIX   26 AC8 ASP B  245  SER B  249  5                                   5    
HELIX   27 AC9 CYS B  256  GLY B  268  1                                  13    
HELIX   28 AD1 GLU B  270  SER B  272  5                                   3    
HELIX   29 AD2 ARG B  301  ASP B  321  1                                  21    
HELIX   30 AD3 GLY B  348  GLY B  351  5                                   4    
HELIX   31 AD4 GLY B  352  LYS B  367  1                                  16    
HELIX   32 AD5 ASP B  371  ASN B  378  1                                   8    
HELIX   33 AD6 PHE B  394  TYR B  398  5                                   5    
HELIX   34 AD7 ASP B  423  GLY B  438  1                                  16    
HELIX   35 AD8 ILE B  456  GLY B  465  1                                  10    
HELIX   36 AD9 LYS B  488  ASP B  509  1                                  22    
HELIX   37 AE1 GLU B  510  GLY B  512  5                                   3    
HELIX   38 AE2 LYS C   36  ILE C   44  1                                   9    
HELIX   39 AE3 TYR C   49  ASN C   63  1                                  15    
HELIX   40 AE4 THR C   65  HIS C   80  1                                  16    
HELIX   41 AE5 ARG C  121  GLY C  125  5                                   5    
HELIX   42 AE6 ASN C  165  LEU C  169  5                                   5    
HELIX   43 AE7 ALA C  208  GLU C  216  5                                   9    
HELIX   44 AE8 THR C  243  LYS C  248  1                                   6    
HELIX   45 AE9 CYS C  256  GLY C  268  1                                  13    
HELIX   46 AF1 GLU C  270  SER C  272  5                                   3    
HELIX   47 AF2 ARG C  301  ASP C  321  1                                  21    
HELIX   48 AF3 VAL C  322  SER C  327  5                                   6    
HELIX   49 AF4 ASN C  338  GLY C  342  5                                   5    
HELIX   50 AF5 GLY C  348  GLY C  351  5                                   4    
HELIX   51 AF6 GLY C  352  LYS C  367  1                                  16    
HELIX   52 AF7 ASP C  371  ASN C  378  1                                   8    
HELIX   53 AF8 PHE C  394  TYR C  398  5                                   5    
HELIX   54 AF9 ASP C  423  GLY C  438  1                                  16    
HELIX   55 AG1 ILE C  456  GLY C  465  1                                  10    
HELIX   56 AG2 LYS C  488  ASP C  509  1                                  22    
HELIX   57 AG3 GLU C  510  GLY C  512  5                                   3    
HELIX   58 AG4 LYS D   36  CYS D   43  1                                   8    
HELIX   59 AG5 ASN D   48  ASN D   63  1                                  16    
HELIX   60 AG6 THR D   65  HIS D   80  1                                  16    
HELIX   61 AG7 ASN D   90  SER D   94  5                                   5    
HELIX   62 AG8 ARG D  121  GLY D  125  5                                   5    
HELIX   63 AG9 ASN D  165  LEU D  169  5                                   5    
HELIX   64 AH1 ALA D  208  GLU D  216  5                                   9    
HELIX   65 AH2 ASP D  245  SER D  249  5                                   5    
HELIX   66 AH3 CYS D  256  GLY D  268  1                                  13    
HELIX   67 AH4 GLU D  270  SER D  272  5                                   3    
HELIX   68 AH5 ARG D  301  LYS D  320  1                                  20    
HELIX   69 AH6 ASN D  338  GLY D  342  5                                   5    
HELIX   70 AH7 GLY D  348  GLY D  351  5                                   4    
HELIX   71 AH8 GLY D  352  LYS D  367  1                                  16    
HELIX   72 AH9 ASP D  371  ASN D  378  1                                   8    
HELIX   73 AI1 PHE D  394  TYR D  398  5                                   5    
HELIX   74 AI2 ASP D  423  GLY D  438  1                                  16    
HELIX   75 AI3 ILE D  456  GLY D  465  1                                  10    
HELIX   76 AI4 LYS D  488  GLU D  510  1                                  23    
SHEET    1 AA1 9 LYS A  83  TYR A  84  0                                        
SHEET    2 AA1 9 GLY A 100  ARG A 106  1  O  LYS A 101   N  LYS A  83           
SHEET    3 AA1 9 ASN A 110  LEU A 116 -1  O  PHE A 114   N  PHE A 102           
SHEET    4 AA1 9 PHE A 330  TYR A 336 -1  O  LEU A 335   N  LEU A 111           
SHEET    5 AA1 9 GLY A 127  HIS A 132  1  N  SER A 131   O  TYR A 336           
SHEET    6 AA1 9 ILE A 380  ALA A 384  1  O  LEU A 382   N  VAL A 128           
SHEET    7 AA1 9 ARG A 467  GLY A 472  1  O  ILE A 469   N  ILE A 381           
SHEET    8 AA1 9 ILE A 410  SER A 413 -1  N  THR A 411   O  GLY A 472           
SHEET    9 AA1 9 VAL A 441  PHE A 444  1  O  GLN A 442   N  LEU A 412           
SHEET    1 AA2 6 LYS A 190  ASP A 195  0                                        
SHEET    2 AA2 6 LEU A 173  TYR A 181 -1  N  TYR A 181   O  LYS A 190           
SHEET    3 AA2 6 LEU A 274  ASP A 283 -1  O  ASP A 280   N  GLY A 176           
SHEET    4 AA2 6 THR A 137  PHE A 145 -1  N  VAL A 138   O  LEU A 281           
SHEET    5 AA2 6 GLY A 153  TYR A 160 -1  O  ALA A 158   N  LYS A 139           
SHEET    6 AA2 6 VAL A 228  GLY A 230 -1  O  GLY A 230   N  GLY A 153           
SHEET    1 AA3 3 THR A 288  GLY A 290  0                                        
SHEET    2 AA3 3 PHE A 296  ALA A 299 -1  O  PHE A 298   N  THR A 288           
SHEET    3 AA3 3 ALA A 483  GLY A 486 -1  O  THR A 485   N  LEU A 297           
SHEET    1 AA4 2 ASN A 387  HIS A 388  0                                        
SHEET    2 AA4 2 ALA A 474  GLN A 475  1  O  GLN A 475   N  ASN A 387           
SHEET    1 AA5 9 LYS B  83  TYR B  84  0                                        
SHEET    2 AA5 9 GLY B 100  ARG B 106  1  O  LYS B 101   N  LYS B  83           
SHEET    3 AA5 9 ASN B 110  LEU B 116 -1  O  ASN B 110   N  ARG B 106           
SHEET    4 AA5 9 PHE B 330  TYR B 336 -1  O  LEU B 335   N  LEU B 111           
SHEET    5 AA5 9 GLY B 127  HIS B 132  1  N  SER B 131   O  TYR B 336           
SHEET    6 AA5 9 ILE B 380  ALA B 384  1  O  LEU B 382   N  GLY B 130           
SHEET    7 AA5 9 ARG B 467  GLY B 472  1  O  ILE B 469   N  ILE B 381           
SHEET    8 AA5 9 ILE B 410  SER B 413 -1  N  THR B 411   O  GLY B 472           
SHEET    9 AA5 9 VAL B 441  PHE B 444  1  O  GLN B 442   N  LEU B 412           
SHEET    1 AA6 6 ILE B 189  ASP B 195  0                                        
SHEET    2 AA6 6 LEU B 173  LYS B 182 -1  N  TYR B 181   O  LYS B 190           
SHEET    3 AA6 6 LEU B 274  ASP B 283 -1  O  ASP B 280   N  GLY B 176           
SHEET    4 AA6 6 THR B 137  PHE B 145 -1  N  VAL B 138   O  LEU B 281           
SHEET    5 AA6 6 GLY B 153  TYR B 160 -1  O  ALA B 158   N  LYS B 139           
SHEET    6 AA6 6 VAL B 228  GLY B 230 -1  O  GLY B 230   N  GLY B 153           
SHEET    1 AA7 3 THR B 288  GLY B 290  0                                        
SHEET    2 AA7 3 PHE B 296  ALA B 299 -1  O  PHE B 298   N  THR B 288           
SHEET    3 AA7 3 ALA B 483  GLY B 486 -1  O  THR B 485   N  LEU B 297           
SHEET    1 AA8 2 ASN B 387  HIS B 388  0                                        
SHEET    2 AA8 2 ALA B 474  GLN B 475  1  O  GLN B 475   N  ASN B 387           
SHEET    1 AA9 9 LYS C  83  TYR C  84  0                                        
SHEET    2 AA9 9 GLY C 100  ARG C 106  1  O  LYS C 101   N  LYS C  83           
SHEET    3 AA9 9 ASN C 110  LEU C 116 -1  O  PHE C 114   N  PHE C 102           
SHEET    4 AA9 9 PHE C 330  TYR C 336 -1  O  LEU C 335   N  LEU C 111           
SHEET    5 AA9 9 GLY C 127  HIS C 132  1  N  GLY C 127   O  PHE C 330           
SHEET    6 AA9 9 ILE C 380  ALA C 384  1  O  LEU C 382   N  VAL C 128           
SHEET    7 AA9 9 ARG C 467  GLY C 472  1  O  ILE C 469   N  ILE C 381           
SHEET    8 AA9 9 ILE C 410  SER C 413 -1  N  THR C 411   O  GLY C 472           
SHEET    9 AA9 9 VAL C 441  PHE C 444  1  O  GLN C 442   N  LEU C 412           
SHEET    1 AB1 5 VAL C 157  TYR C 160  0                                        
SHEET    2 AB1 5 THR C 137  LEU C 140 -1  N  LYS C 139   O  ALA C 158           
SHEET    3 AB1 5 LEU C 274  ASP C 283 -1  O  LEU C 281   N  VAL C 138           
SHEET    4 AB1 5 LEU C 173  LYS C 182 -1  N  GLY C 176   O  ASP C 280           
SHEET    5 AB1 5 ILE C 189  ASP C 195 -1  O  ALA C 192   N  LEU C 179           
SHEET    1 AB2 2 GLY C 153  ARG C 154  0                                        
SHEET    2 AB2 2 VAL C 228  GLY C 230 -1  O  GLY C 230   N  GLY C 153           
SHEET    1 AB3 3 THR C 288  GLY C 290  0                                        
SHEET    2 AB3 3 PHE C 296  ALA C 299 -1  O  PHE C 298   N  THR C 288           
SHEET    3 AB3 3 ALA C 483  GLY C 486 -1  O  THR C 485   N  LEU C 297           
SHEET    1 AB4 2 ASN C 387  HIS C 388  0                                        
SHEET    2 AB4 2 ALA C 474  GLN C 475  1  O  GLN C 475   N  ASN C 387           
SHEET    1 AB5 9 LYS D  83  TYR D  84  0                                        
SHEET    2 AB5 9 GLY D 100  ARG D 106  1  O  LYS D 101   N  LYS D  83           
SHEET    3 AB5 9 ASN D 110  LEU D 116 -1  O  PHE D 114   N  PHE D 102           
SHEET    4 AB5 9 PHE D 330  TYR D 336 -1  O  LEU D 335   N  LEU D 111           
SHEET    5 AB5 9 GLY D 127  HIS D 132  1  N  GLY D 127   O  PHE D 330           
SHEET    6 AB5 9 ILE D 380  ALA D 384  1  O  LEU D 382   N  VAL D 128           
SHEET    7 AB5 9 ARG D 467  GLY D 472  1  O  ILE D 469   N  ILE D 381           
SHEET    8 AB5 9 ILE D 410  SER D 413 -1  N  THR D 411   O  GLY D 472           
SHEET    9 AB5 9 VAL D 441  PHE D 444  1  O  GLN D 442   N  LEU D 412           
SHEET    1 AB6 5 VAL D 157  TYR D 160  0                                        
SHEET    2 AB6 5 THR D 137  LEU D 140 -1  N  LYS D 139   O  ALA D 158           
SHEET    3 AB6 5 LEU D 274  ASP D 283 -1  O  LEU D 279   N  LEU D 140           
SHEET    4 AB6 5 LEU D 173  LYS D 182 -1  N  GLY D 176   O  ASP D 280           
SHEET    5 AB6 5 ILE D 189  ASP D 195 -1  O  LYS D 190   N  TYR D 181           
SHEET    1 AB7 2 GLY D 153  ARG D 154  0                                        
SHEET    2 AB7 2 VAL D 228  GLY D 230 -1  O  GLY D 230   N  GLY D 153           
SHEET    1 AB8 3 THR D 288  GLY D 290  0                                        
SHEET    2 AB8 3 PHE D 296  ALA D 299 -1  O  PHE D 298   N  THR D 288           
SHEET    3 AB8 3 ALA D 483  GLY D 486 -1  O  THR D 485   N  LEU D 297           
SHEET    1 AB9 2 ASN D 387  HIS D 388  0                                        
SHEET    2 AB9 2 ALA D 474  GLN D 475  1  O  GLN D 475   N  ASN D 387           
SSBOND   1 CYS A   43    CYS A  317                          1555   1555  2.03  
SSBOND   2 CYS B   43    CYS B  317                          1555   1555  2.04  
SSBOND   3 CYS C   43    CYS C  317                          1555   1555  2.04  
SSBOND   4 CYS D   43    CYS D  317                          1555   1555  2.03  
LINK         OD1 ASP A 303                ZN    ZN A 601     1555   1555  2.14  
LINK         OD2 ASP A 303                ZN    ZN A 602     1555   1555  1.98  
LINK         OE1 GLU A 340                ZN    ZN A 602     1555   1555  2.41  
LINK         OE2 GLU A 340                ZN    ZN A 602     1555   1555  2.20  
LINK         OD1 ASP A 385                ZN    ZN A 601     1555   1555  2.22  
LINK         OD2 ASP A 385                ZN    ZN A 601     1555   1555  2.44  
LINK         NE2 HIS A 479                ZN    ZN A 602     1555   1555  2.27  
LINK         OD1 ASP B 303                ZN    ZN B 601     1555   1555  2.13  
LINK         OD2 ASP B 303                ZN    ZN B 602     1555   1555  2.04  
LINK         OE1 GLU B 340                ZN    ZN B 602     1555   1555  2.62  
LINK         OE2 GLU B 340                ZN    ZN B 602     1555   1555  2.03  
LINK         OD1 ASP B 385                ZN    ZN B 601     1555   1555  2.39  
LINK         OD2 ASP B 385                ZN    ZN B 601     1555   1555  2.45  
LINK         NE2 HIS B 479                ZN    ZN B 602     1555   1555  2.27  
LINK         NE2 HIS C 132                ZN    ZN C 601     1555   1555  2.65  
LINK         OD1 ASP C 303                ZN    ZN C 601     1555   1555  2.18  
LINK         OD2 ASP C 303                ZN    ZN C 602     1555   1555  2.06  
LINK         OE1 GLU C 340                ZN    ZN C 602     1555   1555  2.52  
LINK         OE2 GLU C 340                ZN    ZN C 602     1555   1555  2.07  
LINK         OD1 ASP C 385                ZN    ZN C 601     1555   1555  2.28  
LINK         OD2 ASP C 385                ZN    ZN C 601     1555   1555  2.31  
LINK         NE2 HIS C 479                ZN    ZN C 602     1555   1555  2.21  
LINK         NE2 HIS D 132                ZN    ZN D 601     1555   1555  2.65  
LINK         OD1 ASP D 303                ZN    ZN D 601     1555   1555  2.03  
LINK         OD2 ASP D 303                ZN    ZN D 602     1555   1555  2.01  
LINK         OE1 GLU D 340                ZN    ZN D 602     1555   1555  2.40  
LINK         OE2 GLU D 340                ZN    ZN D 602     1555   1555  2.23  
LINK         OD1 ASP D 385                ZN    ZN D 601     1555   1555  2.40  
LINK         OD2 ASP D 385                ZN    ZN D 601     1555   1555  2.29  
LINK         NE2 HIS D 479                ZN    ZN D 602     1555   1555  2.21  
LINK        ZN    ZN A 601                 O   HOH A 765     1555   1555  2.15  
LINK        ZN    ZN A 601                 O1  CAC A 603     1555   1555  1.98  
LINK        ZN    ZN A 602                 O1  CAC A 603     1555   1555  2.58  
LINK        ZN    ZN A 602                 O2  CAC A 603     1555   1555  2.16  
LINK        ZN    ZN B 601                 O1  CAC B 603     1555   1555  1.95  
LINK        ZN    ZN B 601                 O   HOH B 852     1555   1555  2.01  
LINK        ZN    ZN B 602                 O2  CAC B 603     1555   1555  2.02  
LINK        ZN    ZN B 602                 O1  CAC B 603     1555   1555  2.57  
LINK        ZN    ZN C 601                 O   HOH C 861     1555   1555  2.08  
LINK        ZN    ZN C 601                 O1  CAC C 603     1555   1555  2.09  
LINK        ZN    ZN C 602                 O2  CAC C 603     1555   1555  2.24  
LINK        ZN    ZN C 602                 O1  CAC C 603     1555   1555  2.53  
LINK        ZN    ZN D 601                 O1  CAC D 603     1555   1555  1.86  
LINK        ZN    ZN D 601                 O   HOH D 829     1555   1555  2.24  
LINK        ZN    ZN D 602                 O2  CAC D 603     1555   1555  2.16  
LINK        ZN    ZN D 602                 O1  CAC D 603     1555   1555  2.62  
CISPEP   1 THR A  197    PRO A  198          0         6.71                     
CISPEP   2 GLY A  217    PRO A  218          0         1.99                     
CISPEP   3 ASP A  303    ASP A  304          0         4.65                     
CISPEP   4 THR B  197    PRO B  198          0         4.31                     
CISPEP   5 GLY B  217    PRO B  218          0        -0.79                     
CISPEP   6 ASP B  303    ASP B  304          0         1.70                     
CISPEP   7 THR C  197    PRO C  198          0         6.36                     
CISPEP   8 GLY C  217    PRO C  218          0         0.94                     
CISPEP   9 ASP C  303    ASP C  304          0         4.41                     
CISPEP  10 THR D  197    PRO D  198          0         5.68                     
CISPEP  11 GLY D  217    PRO D  218          0         2.38                     
CISPEP  12 ASP D  303    ASP D  304          0         0.98                     
SITE     1 AC1  6 HIS A 132  ASP A 303  ASP A 385   ZN A 602                    
SITE     2 AC1  6 CAC A 603  HOH A 765                                          
SITE     1 AC2  5 ASP A 303  GLU A 340  HIS A 479   ZN A 601                    
SITE     2 AC2  5 CAC A 603                                                     
SITE     1 AC3 10 HIS A 132  ASP A 303  GLU A 339  GLU A 340                    
SITE     2 AC3 10 ASP A 385  GLY A 454  HIS A 479   ZN A 601                    
SITE     3 AC3 10  ZN A 602  HIS B 210                                          
SITE     1 AC4  6 PRO A 214  GLU A 216  PRO A 218  PHE A 219                    
SITE     2 AC4  6 GLN A 224  HOH B 747                                          
SITE     1 AC5  6 HIS B 132  ASP B 303  ASP B 385   ZN B 602                    
SITE     2 AC5  6 CAC B 603  HOH B 852                                          
SITE     1 AC6  5 ASP B 303  GLU B 340  HIS B 479   ZN B 601                    
SITE     2 AC6  5 CAC B 603                                                     
SITE     1 AC7 10 HIS A 210  HIS B 132  ASP B 303  GLU B 339                    
SITE     2 AC7 10 GLU B 340  ASP B 385  GLY B 454  HIS B 479                    
SITE     3 AC7 10  ZN B 601   ZN B 602                                          
SITE     1 AC8  7 HOH A 741  LYS B 213  PRO B 214  GLU B 216                    
SITE     2 AC8  7 PRO B 218  PHE B 219  GLN B 224                               
SITE     1 AC9  6 HIS C 132  ASP C 303  ASP C 385   ZN C 602                    
SITE     2 AC9  6 CAC C 603  HOH C 861                                          
SITE     1 AD1  5 ASP C 303  GLU C 340  HIS C 479   ZN C 601                    
SITE     2 AD1  5 CAC C 603                                                     
SITE     1 AD2 10 HIS C 132  ASP C 303  GLU C 339  GLU C 340                    
SITE     2 AD2 10 ASP C 385  GLY C 454  HIS C 479   ZN C 601                    
SITE     3 AD2 10  ZN C 602  HIS D 210                                          
SITE     1 AD3  7 LYS C 213  PRO C 214  GLU C 216  PRO C 218                    
SITE     2 AD3  7 PHE C 219  GLN C 224  HOH D 766                               
SITE     1 AD4  6 HIS D 132  ASP D 303  ASP D 385   ZN D 602                    
SITE     2 AD4  6 CAC D 603  HOH D 829                                          
SITE     1 AD5  5 ASP D 303  GLU D 340  HIS D 479   ZN D 601                    
SITE     2 AD5  5 CAC D 603                                                     
SITE     1 AD6 10 HIS C 210  HIS D 132  ASP D 303  GLU D 339                    
SITE     2 AD6 10 GLU D 340  ASP D 385  GLY D 454  HIS D 479                    
SITE     3 AD6 10  ZN D 601   ZN D 602                                          
SITE     1 AD7  6 HOH C 804  PRO D 214  GLU D 216  PRO D 218                    
SITE     2 AD7  6 PHE D 219  GLN D 224                                          
CRYST1  140.428  140.428  348.922  90.00  90.00 120.00 H 3          36          
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      0.007121  0.004111  0.000000        0.00000                         
SCALE2      0.000000  0.008223  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.002866        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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