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Database: PDB
Entry: 6HKI
LinkDB: 6HKI
Original site: 6HKI 
HEADER    HYDROLASE                               06-SEP-18   6HKI              
TITLE     CRYSTAL STRUCTURE OF SURFACE ENTROPY MUTANT OF HUMAN O-GLCNAC         
TITLE    2 HYDROLASE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN O-GLCNACASE;                                       
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: OGA,BETA-N-ACETYLGLUCOSAMINIDASE,BETA-N-                    
COMPND   5 ACETYLHEXOSAMINIDASE,BETA-HEXOSAMINIDASE,MENINGIOMA-EXPRESSED ANTIGEN
COMPND   6 5,N-ACETYL-BETA-D-GLUCOSAMINIDASE,N-ACETYL-BETA-GLUCOSAMINIDASE,     
COMPND   7 NUCLEAR CYTOPLASMIC O-GLCNACASE AND ACETYLTRANSFERASE,NCOAT;         
COMPND   8 EC: 3.2.1.169;                                                       
COMPND   9 ENGINEERED: YES;                                                     
COMPND  10 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: MGEA5, HEXC, KIAA0679, MEA5;                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008                                      
KEYWDS    HYDROLASE, O-GLCNAC, DEGLYCOSYLATION, GLYCOSIDASE                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    A.MALES,G.J.DAVIES                                                    
REVDAT   1   23-JAN-19 6HKI    0                                                
JRNL        AUTH   A.MALES,G.J.DAVIES                                           
JRNL        TITL   STRUCTURAL STUDIES OF A SURFACE-ENTROPY REDUCTION MUTANT OF  
JRNL        TITL 2 O-GLCNACASE.                                                 
JRNL        REF    ACTA CRYSTALLOGR D STRUCT     V.  75    70 2019              
JRNL        REF  2 BIOL                                                         
JRNL        REFN                   ISSN 2059-7983                               
JRNL        PMID   30644846                                                     
JRNL        DOI    10.1107/S2059798318016595                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0230                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 192.40                         
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 29581                          
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) : 0.172                           
REMARK   3   R VALUE            (WORKING SET) : 0.169                           
REMARK   3   FREE R VALUE                     : 0.234                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1483                            
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) : 3.30                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 3.39                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 2133                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.74                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2840                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 130                          
REMARK   3   BIN FREE R VALUE                    : 0.3250                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 7865                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 1                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 58.53                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 71.61                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.31000                                             
REMARK   3    B22 (A**2) : -1.31000                                             
REMARK   3    B33 (A**2) : 4.25000                                              
REMARK   3    B12 (A**2) : -0.66000                                             
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): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.404         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.324         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 21.085        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.915                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.903                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  8097 ; 0.010 ; 0.014       
REMARK   3   BOND LENGTHS OTHERS               (A):  7158 ; 0.001 ; 0.017       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES): 10985 ; 1.578 ; 1.653       
REMARK   3   BOND ANGLES OTHERS          (DEGREES): 16762 ; 0.925 ; 1.625       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   974 ; 8.188 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   432 ;35.022 ;21.991       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  1349 ;21.705 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    52 ;23.002 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  1011 ; 0.075 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  9062 ; 0.006 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):  1610 ; 0.002 ; 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):  3902 ; 6.086 ; 7.355       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  3901 ; 6.063 ; 7.355       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  4868 ; 9.456 ;11.006       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  4869 ; 9.459 ;11.007       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  4195 ; 6.020 ; 7.513       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  4196 ; 6.019 ; 7.514       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  6116 ; 9.237 ;11.127       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  9251 ;12.356 ;83.511       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  9252 ;12.357 ;83.520       
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  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
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 6HKI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 07-SEP-18.                  
REMARK 100 THE DEPOSITION ID IS D_1200011826.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 27-FEB-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I04-1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9282                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XIA2                               
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 31103                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 192.400                            
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 16.80                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 7.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.30                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 17.10                              
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.800                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: 5M7R                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.92                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.51                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M SODIUM CITRATE TRIBASIC, 17%       
REMARK 280  POLYETHYLENE GLYCOL 3350, PH 7.5, VAPOR DIFFUSION, SITTING DROP,    
REMARK 280  TEMPERATURE 291K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
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       24.13200            
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       48.26400            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       48.26400            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       24.13200            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 8950 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 41020 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -54.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     VAL A     2                                                      
REMARK 465     GLN A     3                                                      
REMARK 465     LYS A     4                                                      
REMARK 465     GLU A     5                                                      
REMARK 465     SER A     6                                                      
REMARK 465     GLN A     7                                                      
REMARK 465     ALA A     8                                                      
REMARK 465     THR A     9                                                      
REMARK 465     LEU A    10                                                      
REMARK 465     GLU A    11                                                      
REMARK 465     GLU A    12                                                      
REMARK 465     ARG A    13                                                      
REMARK 465     GLU A    14                                                      
REMARK 465     SER A    15                                                      
REMARK 465     GLU A    16                                                      
REMARK 465     LEU A    17                                                      
REMARK 465     SER A    18                                                      
REMARK 465     SER A    19                                                      
REMARK 465     ASN A    20                                                      
REMARK 465     PRO A    21                                                      
REMARK 465     ALA A    22                                                      
REMARK 465     ALA A    23                                                      
REMARK 465     SER A    24                                                      
REMARK 465     ALA A    25                                                      
REMARK 465     GLY A    26                                                      
REMARK 465     ALA A    27                                                      
REMARK 465     SER A    28                                                      
REMARK 465     LEU A    29                                                      
REMARK 465     GLU A    30                                                      
REMARK 465     PRO A    31                                                      
REMARK 465     PRO A    32                                                      
REMARK 465     ALA A    33                                                      
REMARK 465     ALA A    34                                                      
REMARK 465     PRO A    35                                                      
REMARK 465     ALA A    36                                                      
REMARK 465     PRO A    37                                                      
REMARK 465     GLY A    38                                                      
REMARK 465     GLU A    39                                                      
REMARK 465     ASP A    40                                                      
REMARK 465     ASN A    41                                                      
REMARK 465     PRO A    42                                                      
REMARK 465     ALA A    43                                                      
REMARK 465     GLY A    44                                                      
REMARK 465     ALA A    45                                                      
REMARK 465     GLY A    46                                                      
REMARK 465     GLY A    47                                                      
REMARK 465     ALA A    48                                                      
REMARK 465     ALA A    49                                                      
REMARK 465     VAL A    50                                                      
REMARK 465     ALA A    51                                                      
REMARK 465     GLY A    52                                                      
REMARK 465     ALA A    53                                                      
REMARK 465     ALA A    54                                                      
REMARK 465     GLY A    55                                                      
REMARK 465     GLY A    56                                                      
REMARK 465     ALA A    57                                                      
REMARK 465     ASP A   342                                                      
REMARK 465     VAL A   343                                                      
REMARK 465     VAL A   344                                                      
REMARK 465     MET A   345                                                      
REMARK 465     THR A   346                                                      
REMARK 465     ASP A   347                                                      
REMARK 465     SER A   348                                                      
REMARK 465     GLU A   349                                                      
REMARK 465     ASP A   350                                                      
REMARK 465     SER A   351                                                      
REMARK 465     THR A   352                                                      
REMARK 465     VAL A   353                                                      
REMARK 465     SER A   354                                                      
REMARK 465     ILE A   355                                                      
REMARK 465     GLN A   356                                                      
REMARK 465     ILE A   357                                                      
REMARK 465     LYS A   358                                                      
REMARK 465     LEU A   359                                                      
REMARK 465     GLU A   360                                                      
REMARK 465     ASN A   361                                                      
REMARK 465     GLU A   362                                                      
REMARK 465     GLY A   363                                                      
REMARK 465     SER A   364                                                      
REMARK 465     ASP A   365                                                      
REMARK 465     GLU A   366                                                      
REMARK 465     ASP A   367                                                      
REMARK 465     ILE A   368                                                      
REMARK 465     GLU A   369                                                      
REMARK 465     TYR A   397                                                      
REMARK 465     SER A   398                                                      
REMARK 465     SER A   399                                                      
REMARK 465     ARG A   400                                                      
REMARK 465     GLN A   401                                                      
REMARK 465     VAL A   402                                                      
REMARK 465     ALA A   403                                                      
REMARK 465     HIS A   404                                                      
REMARK 465     SER A   405                                                      
REMARK 465     GLY A   406                                                      
REMARK 465     ALA A   407                                                      
REMARK 465     LYS A   408                                                      
REMARK 465     ALA A   409                                                      
REMARK 465     SER A   410                                                      
REMARK 465     VAL A   411                                                      
REMARK 465     VAL A   412                                                      
REMARK 465     ASP A   413                                                      
REMARK 465     GLY A   414                                                      
REMARK 465     THR A   415                                                      
REMARK 465     PRO A   416                                                      
REMARK 465     LEU A   417                                                      
REMARK 465     VAL A   418                                                      
REMARK 465     ALA A   419                                                      
REMARK 465     ALA A   420                                                      
REMARK 465     PRO A   421                                                      
REMARK 465     SER A   422                                                      
REMARK 465     LEU A   423                                                      
REMARK 465     ASN A   424                                                      
REMARK 465     ALA A   425                                                      
REMARK 465     THR A   426                                                      
REMARK 465     THR A   427                                                      
REMARK 465     VAL A   428                                                      
REMARK 465     VAL A   429                                                      
REMARK 465     THR A   430                                                      
REMARK 465     THR A   431                                                      
REMARK 465     VAL A   432                                                      
REMARK 465     TYR A   433                                                      
REMARK 465     GLN A   434                                                      
REMARK 465     GLU A   435                                                      
REMARK 465     PRO A   436                                                      
REMARK 465     ILE A   437                                                      
REMARK 465     MET A   438                                                      
REMARK 465     SER A   439                                                      
REMARK 465     GLN A   440                                                      
REMARK 465     GLY A   441                                                      
REMARK 465     ALA A   442                                                      
REMARK 465     ALA A   443                                                      
REMARK 465     LEU A   444                                                      
REMARK 465     SER A   445                                                      
REMARK 465     GLY A   446                                                      
REMARK 465     GLU A   447                                                      
REMARK 465     PRO A   448                                                      
REMARK 465     THR A   449                                                      
REMARK 465     THR A   450                                                      
REMARK 465     LEU A   451                                                      
REMARK 465     THR A   452                                                      
REMARK 465     LYS A   453                                                      
REMARK 465     GLU A   454                                                      
REMARK 465     GLU A   455                                                      
REMARK 465     GLU A   456                                                      
REMARK 465     LYS A   457                                                      
REMARK 465     LYS A   458                                                      
REMARK 465     GLN A   459                                                      
REMARK 465     PRO A   460                                                      
REMARK 465     ASP A   461                                                      
REMARK 465     GLU A   462                                                      
REMARK 465     GLU A   463                                                      
REMARK 465     PRO A   464                                                      
REMARK 465     MET A   465                                                      
REMARK 465     ASP A   466                                                      
REMARK 465     MET A   467                                                      
REMARK 465     VAL A   468                                                      
REMARK 465     VAL A   469                                                      
REMARK 465     GLU A   470                                                      
REMARK 465     LYS A   471                                                      
REMARK 465     GLN A   472                                                      
REMARK 465     GLU A   473                                                      
REMARK 465     GLU A   474                                                      
REMARK 465     THR A   475                                                      
REMARK 465     ASP A   476                                                      
REMARK 465     HIS A   477                                                      
REMARK 465     LYS A   478                                                      
REMARK 465     ASN A   479                                                      
REMARK 465     ASP A   480                                                      
REMARK 465     ASN A   481                                                      
REMARK 465     GLN A   482                                                      
REMARK 465     ILE A   483                                                      
REMARK 465     LEU A   484                                                      
REMARK 465     SER A   485                                                      
REMARK 465     GLU A   486                                                      
REMARK 465     ILE A   487                                                      
REMARK 465     VAL A   488                                                      
REMARK 465     GLU A   489                                                      
REMARK 465     ALA A   490                                                      
REMARK 465     LYS A   491                                                      
REMARK 465     MET A   492                                                      
REMARK 465     ALA A   493                                                      
REMARK 465     GLU A   494                                                      
REMARK 465     GLU A   495                                                      
REMARK 465     LEU A   496                                                      
REMARK 465     LYS A   497                                                      
REMARK 465     PRO A   498                                                      
REMARK 465     MET A   499                                                      
REMARK 465     ASP A   500                                                      
REMARK 465     THR A   501                                                      
REMARK 465     ASP A   502                                                      
REMARK 465     LYS A   503                                                      
REMARK 465     GLU A   504                                                      
REMARK 465     SER A   505                                                      
REMARK 465     ILE A   506                                                      
REMARK 465     ALA A   507                                                      
REMARK 465     GLU A   508                                                      
REMARK 465     SER A   509                                                      
REMARK 465     LYS A   510                                                      
REMARK 465     SER A   511                                                      
REMARK 465     PRO A   512                                                      
REMARK 465     GLU A   513                                                      
REMARK 465     MET A   514                                                      
REMARK 465     SER A   515                                                      
REMARK 465     MET A   516                                                      
REMARK 465     GLN A   517                                                      
REMARK 465     GLU A   518                                                      
REMARK 465     ASP A   519                                                      
REMARK 465     CYS A   520                                                      
REMARK 465     ILE A   521                                                      
REMARK 465     SER A   522                                                      
REMARK 465     ASP A   523                                                      
REMARK 465     ILE A   524                                                      
REMARK 465     ALA A   525                                                      
REMARK 465     PRO A   526                                                      
REMARK 465     MET A   527                                                      
REMARK 465     GLN A   528                                                      
REMARK 465     THR A   529                                                      
REMARK 465     ASP A   530                                                      
REMARK 465     GLU A   531                                                      
REMARK 465     GLN A   532                                                      
REMARK 465     THR A   533                                                      
REMARK 465     ASN A   534                                                      
REMARK 465     LYS A   535                                                      
REMARK 465     GLU A   536                                                      
REMARK 465     THR A   716                                                      
REMARK 465     ILE A   717                                                      
REMARK 465     ARG A   718                                                      
REMARK 465     PRO A   719                                                      
REMARK 465     TYR A   720                                                      
REMARK 465     PHE A   721                                                      
REMARK 465     PRO A   722                                                      
REMARK 465     LYS A   723                                                      
REMARK 465     ASP A   724                                                      
REMARK 465     GLU A   725                                                      
REMARK 465     ALA A   726                                                      
REMARK 465     SER A   727                                                      
REMARK 465     VAL A   728                                                      
REMARK 465     TYR A   729                                                      
REMARK 465     LYS A   730                                                      
REMARK 465     ILE A   731                                                      
REMARK 465     CYS A   732                                                      
REMARK 465     ARG A   733                                                      
REMARK 465     GLU A   734                                                      
REMARK 465     MET A   735                                                      
REMARK 465     TYR A   736                                                      
REMARK 465     ASP A   737                                                      
REMARK 465     ASP A   738                                                      
REMARK 465     GLY A   739                                                      
REMARK 465     VAL A   740                                                      
REMARK 465     GLY A   741                                                      
REMARK 465     LEU A   742                                                      
REMARK 465     PRO A   743                                                      
REMARK 465     PHE A   744                                                      
REMARK 465     GLN A   745                                                      
REMARK 465     SER A   746                                                      
REMARK 465     GLN A   747                                                      
REMARK 465     PRO A   748                                                      
REMARK 465     ASP A   749                                                      
REMARK 465     LEU A   750                                                      
REMARK 465     ILE A   751                                                      
REMARK 465     GLY A   752                                                      
REMARK 465     ASP A   753                                                      
REMARK 465     LYS A   754                                                      
REMARK 465     LEU A   755                                                      
REMARK 465     VAL A   756                                                      
REMARK 465     GLY A   757                                                      
REMARK 465     GLY A   758                                                      
REMARK 465     LEU A   759                                                      
REMARK 465     LEU A   760                                                      
REMARK 465     SER A   761                                                      
REMARK 465     LEU A   762                                                      
REMARK 465     SER A   763                                                      
REMARK 465     LEU A   764                                                      
REMARK 465     ASP A   765                                                      
REMARK 465     TYR A   766                                                      
REMARK 465     CYS A   767                                                      
REMARK 465     PHE A   768                                                      
REMARK 465     VAL A   769                                                      
REMARK 465     LEU A   770                                                      
REMARK 465     GLU A   771                                                      
REMARK 465     ASP A   772                                                      
REMARK 465     GLU A   773                                                      
REMARK 465     ASP A   774                                                      
REMARK 465     GLY A   775                                                      
REMARK 465     ILE A   776                                                      
REMARK 465     CYS A   777                                                      
REMARK 465     GLY A   778                                                      
REMARK 465     TYR A   779                                                      
REMARK 465     ALA A   780                                                      
REMARK 465     LEU A   781                                                      
REMARK 465     GLY A   782                                                      
REMARK 465     THR A   783                                                      
REMARK 465     VAL A   784                                                      
REMARK 465     ASP A   785                                                      
REMARK 465     VAL A   786                                                      
REMARK 465     THR A   787                                                      
REMARK 465     PRO A   788                                                      
REMARK 465     PHE A   789                                                      
REMARK 465     ILE A   790                                                      
REMARK 465     LYS A   791                                                      
REMARK 465     LYS A   792                                                      
REMARK 465     CYS A   793                                                      
REMARK 465     LYS A   794                                                      
REMARK 465     ILE A   795                                                      
REMARK 465     SER A   796                                                      
REMARK 465     TRP A   797                                                      
REMARK 465     ILE A   798                                                      
REMARK 465     PRO A   799                                                      
REMARK 465     PHE A   800                                                      
REMARK 465     MET A   801                                                      
REMARK 465     GLN A   802                                                      
REMARK 465     GLU A   803                                                      
REMARK 465     LYS A   804                                                      
REMARK 465     TYR A   805                                                      
REMARK 465     THR A   806                                                      
REMARK 465     LYS A   807                                                      
REMARK 465     PRO A   808                                                      
REMARK 465     ASN A   809                                                      
REMARK 465     GLY A   810                                                      
REMARK 465     ASP A   811                                                      
REMARK 465     LYS A   812                                                      
REMARK 465     GLU A   813                                                      
REMARK 465     LEU A   814                                                      
REMARK 465     SER A   815                                                      
REMARK 465     GLU A   816                                                      
REMARK 465     ALA A   817                                                      
REMARK 465     GLU A   818                                                      
REMARK 465     LYS A   819                                                      
REMARK 465     ILE A   820                                                      
REMARK 465     MET A   821                                                      
REMARK 465     LEU A   822                                                      
REMARK 465     SER A   823                                                      
REMARK 465     PHE A   824                                                      
REMARK 465     HIS A   825                                                      
REMARK 465     GLU A   826                                                      
REMARK 465     GLU A   827                                                      
REMARK 465     GLN A   828                                                      
REMARK 465     GLU A   829                                                      
REMARK 465     VAL A   830                                                      
REMARK 465     LEU A   831                                                      
REMARK 465     PRO A   832                                                      
REMARK 465     GLU A   833                                                      
REMARK 465     THR A   834                                                      
REMARK 465     PHE A   835                                                      
REMARK 465     LEU A   836                                                      
REMARK 465     ALA A   837                                                      
REMARK 465     ASN A   838                                                      
REMARK 465     PHE A   839                                                      
REMARK 465     PRO A   840                                                      
REMARK 465     SER A   841                                                      
REMARK 465     LEU A   842                                                      
REMARK 465     ILE A   843                                                      
REMARK 465     LYS A   844                                                      
REMARK 465     MET A   845                                                      
REMARK 465     ASP A   846                                                      
REMARK 465     ILE A   847                                                      
REMARK 465     HIS A   848                                                      
REMARK 465     LYS A   849                                                      
REMARK 465     LYS A   850                                                      
REMARK 465     VAL A   851                                                      
REMARK 465     THR A   852                                                      
REMARK 465     ASP A   853                                                      
REMARK 465     PRO A   854                                                      
REMARK 465     SER A   855                                                      
REMARK 465     VAL A   856                                                      
REMARK 465     ALA A   857                                                      
REMARK 465     LYS A   858                                                      
REMARK 465     SER A   859                                                      
REMARK 465     MET A   860                                                      
REMARK 465     MET A   861                                                      
REMARK 465     ALA A   862                                                      
REMARK 465     CYS A   863                                                      
REMARK 465     LEU A   864                                                      
REMARK 465     LEU A   865                                                      
REMARK 465     SER A   866                                                      
REMARK 465     SER A   867                                                      
REMARK 465     LEU A   868                                                      
REMARK 465     LYS A   869                                                      
REMARK 465     ALA A   870                                                      
REMARK 465     ASN A   871                                                      
REMARK 465     GLY A   872                                                      
REMARK 465     SER A   873                                                      
REMARK 465     ARG A   874                                                      
REMARK 465     GLY A   875                                                      
REMARK 465     ALA A   876                                                      
REMARK 465     PHE A   877                                                      
REMARK 465     CYS A   878                                                      
REMARK 465     GLU A   879                                                      
REMARK 465     VAL A   880                                                      
REMARK 465     ARG A   881                                                      
REMARK 465     PRO A   882                                                      
REMARK 465     ASP A   883                                                      
REMARK 465     ASP A   884                                                      
REMARK 465     LYS A   885                                                      
REMARK 465     ARG A   886                                                      
REMARK 465     ILE A   887                                                      
REMARK 465     LEU A   888                                                      
REMARK 465     GLU A   889                                                      
REMARK 465     PHE A   890                                                      
REMARK 465     TYR A   891                                                      
REMARK 465     SER A   892                                                      
REMARK 465     LYS A   893                                                      
REMARK 465     LEU A   894                                                      
REMARK 465     GLY A   895                                                      
REMARK 465     CYS A   896                                                      
REMARK 465     PHE A   897                                                      
REMARK 465     GLU A   898                                                      
REMARK 465     ILE A   899                                                      
REMARK 465     ALA A   900                                                      
REMARK 465     LYS A   901                                                      
REMARK 465     MET A   902                                                      
REMARK 465     GLU A   903                                                      
REMARK 465     GLY A   904                                                      
REMARK 465     PHE A   905                                                      
REMARK 465     PRO A   906                                                      
REMARK 465     LYS A   907                                                      
REMARK 465     ASP A   908                                                      
REMARK 465     VAL A   909                                                      
REMARK 465     VAL A   910                                                      
REMARK 465     ILE A   911                                                      
REMARK 465     LEU A   912                                                      
REMARK 465     GLY A   913                                                      
REMARK 465     ARG A   914                                                      
REMARK 465     SER A   915                                                      
REMARK 465     LEU A   916                                                      
REMARK 465     MET B     1                                                      
REMARK 465     VAL B     2                                                      
REMARK 465     GLN B     3                                                      
REMARK 465     LYS B     4                                                      
REMARK 465     GLU B     5                                                      
REMARK 465     SER B     6                                                      
REMARK 465     GLN B     7                                                      
REMARK 465     ALA B     8                                                      
REMARK 465     THR B     9                                                      
REMARK 465     LEU B    10                                                      
REMARK 465     GLU B    11                                                      
REMARK 465     GLU B    12                                                      
REMARK 465     ARG B    13                                                      
REMARK 465     GLU B    14                                                      
REMARK 465     SER B    15                                                      
REMARK 465     GLU B    16                                                      
REMARK 465     LEU B    17                                                      
REMARK 465     SER B    18                                                      
REMARK 465     SER B    19                                                      
REMARK 465     ASN B    20                                                      
REMARK 465     PRO B    21                                                      
REMARK 465     ALA B    22                                                      
REMARK 465     ALA B    23                                                      
REMARK 465     SER B    24                                                      
REMARK 465     ALA B    25                                                      
REMARK 465     GLY B    26                                                      
REMARK 465     ALA B    27                                                      
REMARK 465     SER B    28                                                      
REMARK 465     LEU B    29                                                      
REMARK 465     GLU B    30                                                      
REMARK 465     PRO B    31                                                      
REMARK 465     PRO B    32                                                      
REMARK 465     ALA B    33                                                      
REMARK 465     ALA B    34                                                      
REMARK 465     PRO B    35                                                      
REMARK 465     ALA B    36                                                      
REMARK 465     PRO B    37                                                      
REMARK 465     GLY B    38                                                      
REMARK 465     GLU B    39                                                      
REMARK 465     ASP B    40                                                      
REMARK 465     ASN B    41                                                      
REMARK 465     PRO B    42                                                      
REMARK 465     ALA B    43                                                      
REMARK 465     GLY B    44                                                      
REMARK 465     ALA B    45                                                      
REMARK 465     GLY B    46                                                      
REMARK 465     GLY B    47                                                      
REMARK 465     ALA B    48                                                      
REMARK 465     ALA B    49                                                      
REMARK 465     VAL B    50                                                      
REMARK 465     ALA B    51                                                      
REMARK 465     GLY B    52                                                      
REMARK 465     ALA B    53                                                      
REMARK 465     ALA B    54                                                      
REMARK 465     GLY B    55                                                      
REMARK 465     GLY B    56                                                      
REMARK 465     SER B   348                                                      
REMARK 465     GLU B   349                                                      
REMARK 465     ASP B   350                                                      
REMARK 465     SER B   351                                                      
REMARK 465     THR B   352                                                      
REMARK 465     VAL B   353                                                      
REMARK 465     SER B   354                                                      
REMARK 465     ILE B   355                                                      
REMARK 465     GLN B   356                                                      
REMARK 465     ILE B   357                                                      
REMARK 465     LYS B   358                                                      
REMARK 465     LEU B   359                                                      
REMARK 465     GLU B   360                                                      
REMARK 465     ASN B   361                                                      
REMARK 465     GLU B   362                                                      
REMARK 465     GLY B   363                                                      
REMARK 465     SER B   364                                                      
REMARK 465     ASP B   365                                                      
REMARK 465     GLU B   366                                                      
REMARK 465     ASP B   367                                                      
REMARK 465     ILE B   368                                                      
REMARK 465     GLU B   369                                                      
REMARK 465     THR B   370                                                      
REMARK 465     ASP B   371                                                      
REMARK 465     GLN B   396                                                      
REMARK 465     TYR B   397                                                      
REMARK 465     SER B   398                                                      
REMARK 465     SER B   399                                                      
REMARK 465     ARG B   400                                                      
REMARK 465     GLN B   401                                                      
REMARK 465     VAL B   402                                                      
REMARK 465     ALA B   403                                                      
REMARK 465     HIS B   404                                                      
REMARK 465     SER B   405                                                      
REMARK 465     GLY B   406                                                      
REMARK 465     ALA B   407                                                      
REMARK 465     LYS B   408                                                      
REMARK 465     ALA B   409                                                      
REMARK 465     SER B   410                                                      
REMARK 465     VAL B   411                                                      
REMARK 465     VAL B   412                                                      
REMARK 465     ASP B   413                                                      
REMARK 465     GLY B   414                                                      
REMARK 465     THR B   415                                                      
REMARK 465     PRO B   416                                                      
REMARK 465     LEU B   417                                                      
REMARK 465     VAL B   418                                                      
REMARK 465     ALA B   419                                                      
REMARK 465     ALA B   420                                                      
REMARK 465     PRO B   421                                                      
REMARK 465     SER B   422                                                      
REMARK 465     LEU B   423                                                      
REMARK 465     ASN B   424                                                      
REMARK 465     ALA B   425                                                      
REMARK 465     THR B   426                                                      
REMARK 465     THR B   427                                                      
REMARK 465     VAL B   428                                                      
REMARK 465     VAL B   429                                                      
REMARK 465     THR B   430                                                      
REMARK 465     THR B   431                                                      
REMARK 465     VAL B   432                                                      
REMARK 465     TYR B   433                                                      
REMARK 465     GLN B   434                                                      
REMARK 465     GLU B   435                                                      
REMARK 465     PRO B   436                                                      
REMARK 465     ILE B   437                                                      
REMARK 465     MET B   438                                                      
REMARK 465     SER B   439                                                      
REMARK 465     GLN B   440                                                      
REMARK 465     GLY B   441                                                      
REMARK 465     ALA B   442                                                      
REMARK 465     ALA B   443                                                      
REMARK 465     LEU B   444                                                      
REMARK 465     SER B   445                                                      
REMARK 465     GLY B   446                                                      
REMARK 465     GLU B   447                                                      
REMARK 465     PRO B   448                                                      
REMARK 465     THR B   449                                                      
REMARK 465     THR B   450                                                      
REMARK 465     LEU B   451                                                      
REMARK 465     THR B   452                                                      
REMARK 465     LYS B   453                                                      
REMARK 465     GLU B   454                                                      
REMARK 465     GLU B   455                                                      
REMARK 465     GLU B   456                                                      
REMARK 465     LYS B   457                                                      
REMARK 465     LYS B   458                                                      
REMARK 465     GLN B   459                                                      
REMARK 465     PRO B   460                                                      
REMARK 465     ASP B   461                                                      
REMARK 465     GLU B   462                                                      
REMARK 465     GLU B   463                                                      
REMARK 465     PRO B   464                                                      
REMARK 465     MET B   465                                                      
REMARK 465     ASP B   466                                                      
REMARK 465     MET B   467                                                      
REMARK 465     VAL B   468                                                      
REMARK 465     VAL B   469                                                      
REMARK 465     GLU B   470                                                      
REMARK 465     LYS B   471                                                      
REMARK 465     GLN B   472                                                      
REMARK 465     GLU B   473                                                      
REMARK 465     GLU B   474                                                      
REMARK 465     THR B   475                                                      
REMARK 465     ASP B   476                                                      
REMARK 465     HIS B   477                                                      
REMARK 465     LYS B   478                                                      
REMARK 465     ASN B   479                                                      
REMARK 465     ASP B   480                                                      
REMARK 465     ASN B   481                                                      
REMARK 465     GLN B   482                                                      
REMARK 465     ILE B   483                                                      
REMARK 465     LEU B   484                                                      
REMARK 465     SER B   485                                                      
REMARK 465     GLU B   486                                                      
REMARK 465     ILE B   487                                                      
REMARK 465     VAL B   488                                                      
REMARK 465     GLU B   489                                                      
REMARK 465     ALA B   490                                                      
REMARK 465     LYS B   491                                                      
REMARK 465     MET B   492                                                      
REMARK 465     ALA B   493                                                      
REMARK 465     GLU B   494                                                      
REMARK 465     GLU B   495                                                      
REMARK 465     LEU B   496                                                      
REMARK 465     LYS B   497                                                      
REMARK 465     PRO B   498                                                      
REMARK 465     MET B   499                                                      
REMARK 465     ASP B   500                                                      
REMARK 465     THR B   501                                                      
REMARK 465     ASP B   502                                                      
REMARK 465     LYS B   503                                                      
REMARK 465     GLU B   504                                                      
REMARK 465     SER B   505                                                      
REMARK 465     ILE B   506                                                      
REMARK 465     ALA B   507                                                      
REMARK 465     GLU B   508                                                      
REMARK 465     SER B   509                                                      
REMARK 465     LYS B   510                                                      
REMARK 465     SER B   511                                                      
REMARK 465     PRO B   512                                                      
REMARK 465     GLU B   513                                                      
REMARK 465     MET B   514                                                      
REMARK 465     SER B   515                                                      
REMARK 465     MET B   516                                                      
REMARK 465     GLN B   517                                                      
REMARK 465     GLU B   518                                                      
REMARK 465     ASP B   519                                                      
REMARK 465     CYS B   520                                                      
REMARK 465     ILE B   521                                                      
REMARK 465     SER B   522                                                      
REMARK 465     ASP B   523                                                      
REMARK 465     ILE B   524                                                      
REMARK 465     ALA B   525                                                      
REMARK 465     PRO B   526                                                      
REMARK 465     MET B   527                                                      
REMARK 465     GLN B   528                                                      
REMARK 465     THR B   529                                                      
REMARK 465     ASP B   530                                                      
REMARK 465     GLU B   531                                                      
REMARK 465     GLN B   532                                                      
REMARK 465     THR B   533                                                      
REMARK 465     ASN B   534                                                      
REMARK 465     LYS B   535                                                      
REMARK 465     PRO B   707                                                      
REMARK 465     LEU B   708                                                      
REMARK 465     THR B   709                                                      
REMARK 465     PRO B   710                                                      
REMARK 465     THR B   711                                                      
REMARK 465     SER B   712                                                      
REMARK 465     LYS B   713                                                      
REMARK 465     VAL B   714                                                      
REMARK 465     TYR B   715                                                      
REMARK 465     THR B   716                                                      
REMARK 465     ILE B   717                                                      
REMARK 465     ARG B   718                                                      
REMARK 465     PRO B   719                                                      
REMARK 465     TYR B   720                                                      
REMARK 465     PHE B   721                                                      
REMARK 465     PRO B   722                                                      
REMARK 465     LYS B   723                                                      
REMARK 465     ASP B   724                                                      
REMARK 465     GLU B   725                                                      
REMARK 465     ALA B   726                                                      
REMARK 465     SER B   727                                                      
REMARK 465     VAL B   728                                                      
REMARK 465     TYR B   729                                                      
REMARK 465     LYS B   730                                                      
REMARK 465     ILE B   731                                                      
REMARK 465     CYS B   732                                                      
REMARK 465     ARG B   733                                                      
REMARK 465     GLU B   734                                                      
REMARK 465     MET B   735                                                      
REMARK 465     TYR B   736                                                      
REMARK 465     ASP B   737                                                      
REMARK 465     ASP B   738                                                      
REMARK 465     GLY B   739                                                      
REMARK 465     VAL B   740                                                      
REMARK 465     GLY B   741                                                      
REMARK 465     LEU B   742                                                      
REMARK 465     PRO B   743                                                      
REMARK 465     PHE B   744                                                      
REMARK 465     GLN B   745                                                      
REMARK 465     SER B   746                                                      
REMARK 465     GLN B   747                                                      
REMARK 465     PRO B   748                                                      
REMARK 465     ASP B   749                                                      
REMARK 465     LEU B   750                                                      
REMARK 465     ILE B   751                                                      
REMARK 465     GLY B   752                                                      
REMARK 465     ASP B   753                                                      
REMARK 465     LYS B   754                                                      
REMARK 465     LEU B   755                                                      
REMARK 465     VAL B   756                                                      
REMARK 465     GLY B   757                                                      
REMARK 465     GLY B   758                                                      
REMARK 465     LEU B   759                                                      
REMARK 465     LEU B   760                                                      
REMARK 465     SER B   761                                                      
REMARK 465     LEU B   762                                                      
REMARK 465     SER B   763                                                      
REMARK 465     LEU B   764                                                      
REMARK 465     ASP B   765                                                      
REMARK 465     TYR B   766                                                      
REMARK 465     CYS B   767                                                      
REMARK 465     PHE B   768                                                      
REMARK 465     VAL B   769                                                      
REMARK 465     LEU B   770                                                      
REMARK 465     GLU B   771                                                      
REMARK 465     ASP B   772                                                      
REMARK 465     GLU B   773                                                      
REMARK 465     ASP B   774                                                      
REMARK 465     GLY B   775                                                      
REMARK 465     ILE B   776                                                      
REMARK 465     CYS B   777                                                      
REMARK 465     GLY B   778                                                      
REMARK 465     TYR B   779                                                      
REMARK 465     ALA B   780                                                      
REMARK 465     LEU B   781                                                      
REMARK 465     GLY B   782                                                      
REMARK 465     THR B   783                                                      
REMARK 465     VAL B   784                                                      
REMARK 465     ASP B   785                                                      
REMARK 465     VAL B   786                                                      
REMARK 465     THR B   787                                                      
REMARK 465     PRO B   788                                                      
REMARK 465     PHE B   789                                                      
REMARK 465     ILE B   790                                                      
REMARK 465     LYS B   791                                                      
REMARK 465     LYS B   792                                                      
REMARK 465     CYS B   793                                                      
REMARK 465     LYS B   794                                                      
REMARK 465     ILE B   795                                                      
REMARK 465     SER B   796                                                      
REMARK 465     TRP B   797                                                      
REMARK 465     ILE B   798                                                      
REMARK 465     PRO B   799                                                      
REMARK 465     PHE B   800                                                      
REMARK 465     MET B   801                                                      
REMARK 465     GLN B   802                                                      
REMARK 465     GLU B   803                                                      
REMARK 465     LYS B   804                                                      
REMARK 465     TYR B   805                                                      
REMARK 465     THR B   806                                                      
REMARK 465     LYS B   807                                                      
REMARK 465     PRO B   808                                                      
REMARK 465     ASN B   809                                                      
REMARK 465     GLY B   810                                                      
REMARK 465     ASP B   811                                                      
REMARK 465     LYS B   812                                                      
REMARK 465     GLU B   813                                                      
REMARK 465     LEU B   814                                                      
REMARK 465     SER B   815                                                      
REMARK 465     GLU B   816                                                      
REMARK 465     ALA B   817                                                      
REMARK 465     GLU B   818                                                      
REMARK 465     LYS B   819                                                      
REMARK 465     ILE B   820                                                      
REMARK 465     MET B   821                                                      
REMARK 465     LEU B   822                                                      
REMARK 465     SER B   823                                                      
REMARK 465     PHE B   824                                                      
REMARK 465     HIS B   825                                                      
REMARK 465     GLU B   826                                                      
REMARK 465     GLU B   827                                                      
REMARK 465     GLN B   828                                                      
REMARK 465     GLU B   829                                                      
REMARK 465     VAL B   830                                                      
REMARK 465     LEU B   831                                                      
REMARK 465     PRO B   832                                                      
REMARK 465     GLU B   833                                                      
REMARK 465     THR B   834                                                      
REMARK 465     PHE B   835                                                      
REMARK 465     LEU B   836                                                      
REMARK 465     ALA B   837                                                      
REMARK 465     ASN B   838                                                      
REMARK 465     PHE B   839                                                      
REMARK 465     PRO B   840                                                      
REMARK 465     SER B   841                                                      
REMARK 465     LEU B   842                                                      
REMARK 465     ILE B   843                                                      
REMARK 465     LYS B   844                                                      
REMARK 465     MET B   845                                                      
REMARK 465     ASP B   846                                                      
REMARK 465     ILE B   847                                                      
REMARK 465     HIS B   848                                                      
REMARK 465     LYS B   849                                                      
REMARK 465     LYS B   850                                                      
REMARK 465     VAL B   851                                                      
REMARK 465     THR B   852                                                      
REMARK 465     ASP B   853                                                      
REMARK 465     PRO B   854                                                      
REMARK 465     SER B   855                                                      
REMARK 465     VAL B   856                                                      
REMARK 465     ALA B   857                                                      
REMARK 465     LYS B   858                                                      
REMARK 465     SER B   859                                                      
REMARK 465     MET B   860                                                      
REMARK 465     MET B   861                                                      
REMARK 465     ALA B   862                                                      
REMARK 465     CYS B   863                                                      
REMARK 465     LEU B   864                                                      
REMARK 465     LEU B   865                                                      
REMARK 465     SER B   866                                                      
REMARK 465     SER B   867                                                      
REMARK 465     LEU B   868                                                      
REMARK 465     LYS B   869                                                      
REMARK 465     ALA B   870                                                      
REMARK 465     ASN B   871                                                      
REMARK 465     GLY B   872                                                      
REMARK 465     SER B   873                                                      
REMARK 465     ARG B   874                                                      
REMARK 465     GLY B   875                                                      
REMARK 465     ALA B   876                                                      
REMARK 465     PHE B   877                                                      
REMARK 465     CYS B   878                                                      
REMARK 465     GLU B   879                                                      
REMARK 465     VAL B   880                                                      
REMARK 465     ARG B   881                                                      
REMARK 465     PRO B   882                                                      
REMARK 465     ASP B   883                                                      
REMARK 465     ASP B   884                                                      
REMARK 465     LYS B   885                                                      
REMARK 465     ARG B   886                                                      
REMARK 465     ILE B   887                                                      
REMARK 465     LEU B   888                                                      
REMARK 465     GLU B   889                                                      
REMARK 465     PHE B   890                                                      
REMARK 465     TYR B   891                                                      
REMARK 465     SER B   892                                                      
REMARK 465     LYS B   893                                                      
REMARK 465     LEU B   894                                                      
REMARK 465     GLY B   895                                                      
REMARK 465     CYS B   896                                                      
REMARK 465     PHE B   897                                                      
REMARK 465     GLU B   898                                                      
REMARK 465     ILE B   899                                                      
REMARK 465     ALA B   900                                                      
REMARK 465     LYS B   901                                                      
REMARK 465     MET B   902                                                      
REMARK 465     GLU B   903                                                      
REMARK 465     GLY B   904                                                      
REMARK 465     PHE B   905                                                      
REMARK 465     PRO B   906                                                      
REMARK 465     LYS B   907                                                      
REMARK 465     ASP B   908                                                      
REMARK 465     VAL B   909                                                      
REMARK 465     VAL B   910                                                      
REMARK 465     ILE B   911                                                      
REMARK 465     LEU B   912                                                      
REMARK 465     GLY B   913                                                      
REMARK 465     ARG B   914                                                      
REMARK 465     SER B   915                                                      
REMARK 465     LEU B   916                                                      
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 597    CG   CD   CE   NZ                                   
REMARK 470     LYS A 599    CG   CD   CE   NZ                                   
REMARK 470     LYS A 603    CG   CD   CE   NZ                                   
REMARK 470     LYS A 613    CG   CD   CE   NZ                                   
REMARK 470     HIS A 666    CG   ND1  CD2  CE1  NE2                             
REMARK 470     ARG A 682    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP A 696    CG   OD1  OD2                                       
REMARK 470     ASN A 699    CG   OD1  ND2                                       
REMARK 470     LEU A 708    CG   CD1  CD2                                       
REMARK 470     GLU B  76    CD   OE1  OE2                                       
REMARK 470     LYS B  79    CG   CD   CE   NZ                                   
REMARK 470     ARG B  83    NH1  NH2                                            
REMARK 470     GLU B 114    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 117    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 118    CG   CD   OE1  NE2                                  
REMARK 470     ASP B 347    CB   CG   OD1  OD2                                  
REMARK 470     CYS B 596    SG                                                  
REMARK 470     LYS B 597    CG   CD   CE   NZ                                   
REMARK 470     LYS B 599    CG   CD   CE   NZ                                   
REMARK 470     GLN B 676    CG   CD   OE1  NE2                                  
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    CYS B 631   CB  -  CA  -  C   ANGL. DEV. =   9.3 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ALA A  96       39.40   -143.38                                   
REMARK 500    ARG A 104      -69.48   -133.44                                   
REMARK 500    VAL A 187      -55.24   -123.97                                   
REMARK 500    PRO A 209      153.90    -43.20                                   
REMARK 500    ASN A 227      162.98    166.97                                   
REMARK 500    TRP A 249      130.71   -177.92                                   
REMARK 500    GLN A 288       31.21    -91.31                                   
REMARK 500    LYS A 297      150.04    177.94                                   
REMARK 500    SER A 334      -10.83    -40.62                                   
REMARK 500    ASN A 335       48.50    179.58                                   
REMARK 500    ASP A 371      100.89     66.36                                   
REMARK 500    HIS A 395     -129.70     44.95                                   
REMARK 500    THR A 549      106.03     63.44                                   
REMARK 500    PHE A 565       60.50   -113.43                                   
REMARK 500    TYR A 566      -90.63    -79.92                                   
REMARK 500    GLU A 570      139.63   -171.55                                   
REMARK 500    ASN A 588       44.22   -109.74                                   
REMARK 500    VAL A 594      -69.36   -101.74                                   
REMARK 500    ASN A 595     -121.29   -149.95                                   
REMARK 500    LYS A 597      -98.87   -140.48                                   
REMARK 500    LYS A 603     -109.79    -96.43                                   
REMARK 500    ILE A 604      -71.25    -45.82                                   
REMARK 500    CYS A 663       51.53   -144.57                                   
REMARK 500    SER A 667     -147.83   -155.00                                   
REMARK 500    SER A 668       60.78   -154.74                                   
REMARK 500    ALA A 669     -174.33    -59.16                                   
REMARK 500    ASP A 675       17.71   -153.69                                   
REMARK 500    GLN A 676     -165.78   -129.83                                   
REMARK 500    ARG A 682       43.11     30.64                                   
REMARK 500    ALA A 698     -120.30   -111.61                                   
REMARK 500    ASN A 699       74.93      0.65                                   
REMARK 500    LEU A 708      -42.64     67.94                                   
REMARK 500    THR A 711       26.13   -149.87                                   
REMARK 500    LYS A 713      -56.96    -19.10                                   
REMARK 500    ALA B  96       44.20   -162.60                                   
REMARK 500    ARG B 104      -67.59   -154.87                                   
REMARK 500    PHE B 106       77.87   -116.98                                   
REMARK 500    PHE B 173       51.10   -115.67                                   
REMARK 500    ILE B 176     -167.84   -105.39                                   
REMARK 500    GLU B 208       67.54     36.37                                   
REMARK 500    ARG B 273      141.49   -173.61                                   
REMARK 500    ASP B 285       32.01    -90.86                                   
REMARK 500    ASP B 287     -133.83   -112.58                                   
REMARK 500    PRO B 314     -157.53   -103.73                                   
REMARK 500    ASN B 335       46.73   -150.34                                   
REMARK 500    ARG B 340      118.40    -38.65                                   
REMARK 500    MET B 345       64.82     35.43                                   
REMARK 500    PHE B 565       72.37   -111.34                                   
REMARK 500    TYR B 566     -103.38    -90.12                                   
REMARK 500    SER B 593       46.07   -179.22                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      63 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  83         0.08    SIDE CHAIN                              
REMARK 500    ARG A 235         0.14    SIDE CHAIN                              
REMARK 500    ARG A 273         0.08    SIDE CHAIN                              
REMARK 500    ARG B  59         0.08    SIDE CHAIN                              
REMARK 500    ARG B  78         0.09    SIDE CHAIN                              
REMARK 500    ARG B 608         0.11    SIDE CHAIN                              
REMARK 500    ARG B 664         0.12    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  6HKI A    1   916  UNP    O60502   OGA_HUMAN        1    916             
DBREF  6HKI B    1   916  UNP    O60502   OGA_HUMAN        1    916             
SEQADV 6HKI ALA A  602  UNP  O60502    GLU   602 ENGINEERED MUTATION            
SEQADV 6HKI ALA A  605  UNP  O60502    GLU   605 ENGINEERED MUTATION            
SEQADV 6HKI ALA B  602  UNP  O60502    GLU   602 ENGINEERED MUTATION            
SEQADV 6HKI ALA B  605  UNP  O60502    GLU   605 ENGINEERED MUTATION            
SEQRES   1 A  916  MET VAL GLN LYS GLU SER GLN ALA THR LEU GLU GLU ARG          
SEQRES   2 A  916  GLU SER GLU LEU SER SER ASN PRO ALA ALA SER ALA GLY          
SEQRES   3 A  916  ALA SER LEU GLU PRO PRO ALA ALA PRO ALA PRO GLY GLU          
SEQRES   4 A  916  ASP ASN PRO ALA GLY ALA GLY GLY ALA ALA VAL ALA GLY          
SEQRES   5 A  916  ALA ALA GLY GLY ALA ARG ARG PHE LEU CYS GLY VAL VAL          
SEQRES   6 A  916  GLU GLY PHE TYR GLY ARG PRO TRP VAL MET GLU GLN ARG          
SEQRES   7 A  916  LYS GLU LEU PHE ARG ARG LEU GLN LYS TRP GLU LEU ASN          
SEQRES   8 A  916  THR TYR LEU TYR ALA PRO LYS ASP ASP TYR LYS HIS ARG          
SEQRES   9 A  916  MET PHE TRP ARG GLU MET TYR SER VAL GLU GLU ALA GLU          
SEQRES  10 A  916  GLN LEU MET THR LEU ILE SER ALA ALA ARG GLU TYR GLU          
SEQRES  11 A  916  ILE GLU PHE ILE TYR ALA ILE SER PRO GLY LEU ASP ILE          
SEQRES  12 A  916  THR PHE SER ASN PRO LYS GLU VAL SER THR LEU LYS ARG          
SEQRES  13 A  916  LYS LEU ASP GLN VAL SER GLN PHE GLY CYS ARG SER PHE          
SEQRES  14 A  916  ALA LEU LEU PHE ASP ASP ILE ASP HIS ASN MET CYS ALA          
SEQRES  15 A  916  ALA ASP LYS GLU VAL PHE SER SER PHE ALA HIS ALA GLN          
SEQRES  16 A  916  VAL SER ILE THR ASN GLU ILE TYR GLN TYR LEU GLY GLU          
SEQRES  17 A  916  PRO GLU THR PHE LEU PHE CYS PRO THR GLU TYR CYS GLY          
SEQRES  18 A  916  THR PHE CYS TYR PRO ASN VAL SER GLN SER PRO TYR LEU          
SEQRES  19 A  916  ARG THR VAL GLY GLU LYS LEU LEU PRO GLY ILE GLU VAL          
SEQRES  20 A  916  LEU TRP THR GLY PRO LYS VAL VAL SER LYS GLU ILE PRO          
SEQRES  21 A  916  VAL GLU SER ILE GLU GLU VAL SER LYS ILE ILE LYS ARG          
SEQRES  22 A  916  ALA PRO VAL ILE TRP ASP ASN ILE HIS ALA ASN ASP TYR          
SEQRES  23 A  916  ASP GLN LYS ARG LEU PHE LEU GLY PRO TYR LYS GLY ARG          
SEQRES  24 A  916  SER THR GLU LEU ILE PRO ARG LEU LYS GLY VAL LEU THR          
SEQRES  25 A  916  ASN PRO ASN CYS GLU PHE GLU ALA ASN TYR VAL ALA ILE          
SEQRES  26 A  916  HIS THR LEU ALA THR TRP TYR LYS SER ASN MET ASN GLY          
SEQRES  27 A  916  VAL ARG LYS ASP VAL VAL MET THR ASP SER GLU ASP SER          
SEQRES  28 A  916  THR VAL SER ILE GLN ILE LYS LEU GLU ASN GLU GLY SER          
SEQRES  29 A  916  ASP GLU ASP ILE GLU THR ASP VAL LEU TYR SER PRO GLN          
SEQRES  30 A  916  MET ALA LEU LYS LEU ALA LEU THR GLU TRP LEU GLN GLU          
SEQRES  31 A  916  PHE GLY VAL PRO HIS GLN TYR SER SER ARG GLN VAL ALA          
SEQRES  32 A  916  HIS SER GLY ALA LYS ALA SER VAL VAL ASP GLY THR PRO          
SEQRES  33 A  916  LEU VAL ALA ALA PRO SER LEU ASN ALA THR THR VAL VAL          
SEQRES  34 A  916  THR THR VAL TYR GLN GLU PRO ILE MET SER GLN GLY ALA          
SEQRES  35 A  916  ALA LEU SER GLY GLU PRO THR THR LEU THR LYS GLU GLU          
SEQRES  36 A  916  GLU LYS LYS GLN PRO ASP GLU GLU PRO MET ASP MET VAL          
SEQRES  37 A  916  VAL GLU LYS GLN GLU GLU THR ASP HIS LYS ASN ASP ASN          
SEQRES  38 A  916  GLN ILE LEU SER GLU ILE VAL GLU ALA LYS MET ALA GLU          
SEQRES  39 A  916  GLU LEU LYS PRO MET ASP THR ASP LYS GLU SER ILE ALA          
SEQRES  40 A  916  GLU SER LYS SER PRO GLU MET SER MET GLN GLU ASP CYS          
SEQRES  41 A  916  ILE SER ASP ILE ALA PRO MET GLN THR ASP GLU GLN THR          
SEQRES  42 A  916  ASN LYS GLU GLN PHE VAL PRO GLY PRO ASN GLU LYS PRO          
SEQRES  43 A  916  LEU TYR THR ALA GLU PRO VAL THR LEU GLU ASP LEU GLN          
SEQRES  44 A  916  LEU LEU ALA ASP LEU PHE TYR LEU PRO TYR GLU HIS GLY          
SEQRES  45 A  916  PRO LYS GLY ALA GLN MET LEU ARG GLU PHE GLN TRP LEU          
SEQRES  46 A  916  ARG ALA ASN SER SER VAL VAL SER VAL ASN CYS LYS GLY          
SEQRES  47 A  916  LYS ASP SER ALA LYS ILE ALA GLU TRP ARG SER ARG ALA          
SEQRES  48 A  916  ALA LYS PHE GLU GLU MET CYS GLY LEU VAL MET GLY MET          
SEQRES  49 A  916  PHE THR ARG LEU SER ASN CYS ALA ASN ARG THR ILE LEU          
SEQRES  50 A  916  TYR ASP MET TYR SER TYR VAL TRP ASP ILE LYS SER ILE          
SEQRES  51 A  916  MET SER MET VAL LYS SER PHE VAL GLN TRP LEU GLY CYS          
SEQRES  52 A  916  ARG SER HIS SER SER ALA GLN PHE LEU ILE GLY ASP GLN          
SEQRES  53 A  916  GLU PRO TRP ALA PHE ARG GLY GLY LEU ALA GLY GLU PHE          
SEQRES  54 A  916  GLN ARG LEU LEU PRO ILE ASP GLY ALA ASN ASP LEU PHE          
SEQRES  55 A  916  PHE GLN PRO PRO PRO LEU THR PRO THR SER LYS VAL TYR          
SEQRES  56 A  916  THR ILE ARG PRO TYR PHE PRO LYS ASP GLU ALA SER VAL          
SEQRES  57 A  916  TYR LYS ILE CYS ARG GLU MET TYR ASP ASP GLY VAL GLY          
SEQRES  58 A  916  LEU PRO PHE GLN SER GLN PRO ASP LEU ILE GLY ASP LYS          
SEQRES  59 A  916  LEU VAL GLY GLY LEU LEU SER LEU SER LEU ASP TYR CYS          
SEQRES  60 A  916  PHE VAL LEU GLU ASP GLU ASP GLY ILE CYS GLY TYR ALA          
SEQRES  61 A  916  LEU GLY THR VAL ASP VAL THR PRO PHE ILE LYS LYS CYS          
SEQRES  62 A  916  LYS ILE SER TRP ILE PRO PHE MET GLN GLU LYS TYR THR          
SEQRES  63 A  916  LYS PRO ASN GLY ASP LYS GLU LEU SER GLU ALA GLU LYS          
SEQRES  64 A  916  ILE MET LEU SER PHE HIS GLU GLU GLN GLU VAL LEU PRO          
SEQRES  65 A  916  GLU THR PHE LEU ALA ASN PHE PRO SER LEU ILE LYS MET          
SEQRES  66 A  916  ASP ILE HIS LYS LYS VAL THR ASP PRO SER VAL ALA LYS          
SEQRES  67 A  916  SER MET MET ALA CYS LEU LEU SER SER LEU LYS ALA ASN          
SEQRES  68 A  916  GLY SER ARG GLY ALA PHE CYS GLU VAL ARG PRO ASP ASP          
SEQRES  69 A  916  LYS ARG ILE LEU GLU PHE TYR SER LYS LEU GLY CYS PHE          
SEQRES  70 A  916  GLU ILE ALA LYS MET GLU GLY PHE PRO LYS ASP VAL VAL          
SEQRES  71 A  916  ILE LEU GLY ARG SER LEU                                      
SEQRES   1 B  916  MET VAL GLN LYS GLU SER GLN ALA THR LEU GLU GLU ARG          
SEQRES   2 B  916  GLU SER GLU LEU SER SER ASN PRO ALA ALA SER ALA GLY          
SEQRES   3 B  916  ALA SER LEU GLU PRO PRO ALA ALA PRO ALA PRO GLY GLU          
SEQRES   4 B  916  ASP ASN PRO ALA GLY ALA GLY GLY ALA ALA VAL ALA GLY          
SEQRES   5 B  916  ALA ALA GLY GLY ALA ARG ARG PHE LEU CYS GLY VAL VAL          
SEQRES   6 B  916  GLU GLY PHE TYR GLY ARG PRO TRP VAL MET GLU GLN ARG          
SEQRES   7 B  916  LYS GLU LEU PHE ARG ARG LEU GLN LYS TRP GLU LEU ASN          
SEQRES   8 B  916  THR TYR LEU TYR ALA PRO LYS ASP ASP TYR LYS HIS ARG          
SEQRES   9 B  916  MET PHE TRP ARG GLU MET TYR SER VAL GLU GLU ALA GLU          
SEQRES  10 B  916  GLN LEU MET THR LEU ILE SER ALA ALA ARG GLU TYR GLU          
SEQRES  11 B  916  ILE GLU PHE ILE TYR ALA ILE SER PRO GLY LEU ASP ILE          
SEQRES  12 B  916  THR PHE SER ASN PRO LYS GLU VAL SER THR LEU LYS ARG          
SEQRES  13 B  916  LYS LEU ASP GLN VAL SER GLN PHE GLY CYS ARG SER PHE          
SEQRES  14 B  916  ALA LEU LEU PHE ASP ASP ILE ASP HIS ASN MET CYS ALA          
SEQRES  15 B  916  ALA ASP LYS GLU VAL PHE SER SER PHE ALA HIS ALA GLN          
SEQRES  16 B  916  VAL SER ILE THR ASN GLU ILE TYR GLN TYR LEU GLY GLU          
SEQRES  17 B  916  PRO GLU THR PHE LEU PHE CYS PRO THR GLU TYR CYS GLY          
SEQRES  18 B  916  THR PHE CYS TYR PRO ASN VAL SER GLN SER PRO TYR LEU          
SEQRES  19 B  916  ARG THR VAL GLY GLU LYS LEU LEU PRO GLY ILE GLU VAL          
SEQRES  20 B  916  LEU TRP THR GLY PRO LYS VAL VAL SER LYS GLU ILE PRO          
SEQRES  21 B  916  VAL GLU SER ILE GLU GLU VAL SER LYS ILE ILE LYS ARG          
SEQRES  22 B  916  ALA PRO VAL ILE TRP ASP ASN ILE HIS ALA ASN ASP TYR          
SEQRES  23 B  916  ASP GLN LYS ARG LEU PHE LEU GLY PRO TYR LYS GLY ARG          
SEQRES  24 B  916  SER THR GLU LEU ILE PRO ARG LEU LYS GLY VAL LEU THR          
SEQRES  25 B  916  ASN PRO ASN CYS GLU PHE GLU ALA ASN TYR VAL ALA ILE          
SEQRES  26 B  916  HIS THR LEU ALA THR TRP TYR LYS SER ASN MET ASN GLY          
SEQRES  27 B  916  VAL ARG LYS ASP VAL VAL MET THR ASP SER GLU ASP SER          
SEQRES  28 B  916  THR VAL SER ILE GLN ILE LYS LEU GLU ASN GLU GLY SER          
SEQRES  29 B  916  ASP GLU ASP ILE GLU THR ASP VAL LEU TYR SER PRO GLN          
SEQRES  30 B  916  MET ALA LEU LYS LEU ALA LEU THR GLU TRP LEU GLN GLU          
SEQRES  31 B  916  PHE GLY VAL PRO HIS GLN TYR SER SER ARG GLN VAL ALA          
SEQRES  32 B  916  HIS SER GLY ALA LYS ALA SER VAL VAL ASP GLY THR PRO          
SEQRES  33 B  916  LEU VAL ALA ALA PRO SER LEU ASN ALA THR THR VAL VAL          
SEQRES  34 B  916  THR THR VAL TYR GLN GLU PRO ILE MET SER GLN GLY ALA          
SEQRES  35 B  916  ALA LEU SER GLY GLU PRO THR THR LEU THR LYS GLU GLU          
SEQRES  36 B  916  GLU LYS LYS GLN PRO ASP GLU GLU PRO MET ASP MET VAL          
SEQRES  37 B  916  VAL GLU LYS GLN GLU GLU THR ASP HIS LYS ASN ASP ASN          
SEQRES  38 B  916  GLN ILE LEU SER GLU ILE VAL GLU ALA LYS MET ALA GLU          
SEQRES  39 B  916  GLU LEU LYS PRO MET ASP THR ASP LYS GLU SER ILE ALA          
SEQRES  40 B  916  GLU SER LYS SER PRO GLU MET SER MET GLN GLU ASP CYS          
SEQRES  41 B  916  ILE SER ASP ILE ALA PRO MET GLN THR ASP GLU GLN THR          
SEQRES  42 B  916  ASN LYS GLU GLN PHE VAL PRO GLY PRO ASN GLU LYS PRO          
SEQRES  43 B  916  LEU TYR THR ALA GLU PRO VAL THR LEU GLU ASP LEU GLN          
SEQRES  44 B  916  LEU LEU ALA ASP LEU PHE TYR LEU PRO TYR GLU HIS GLY          
SEQRES  45 B  916  PRO LYS GLY ALA GLN MET LEU ARG GLU PHE GLN TRP LEU          
SEQRES  46 B  916  ARG ALA ASN SER SER VAL VAL SER VAL ASN CYS LYS GLY          
SEQRES  47 B  916  LYS ASP SER ALA LYS ILE ALA GLU TRP ARG SER ARG ALA          
SEQRES  48 B  916  ALA LYS PHE GLU GLU MET CYS GLY LEU VAL MET GLY MET          
SEQRES  49 B  916  PHE THR ARG LEU SER ASN CYS ALA ASN ARG THR ILE LEU          
SEQRES  50 B  916  TYR ASP MET TYR SER TYR VAL TRP ASP ILE LYS SER ILE          
SEQRES  51 B  916  MET SER MET VAL LYS SER PHE VAL GLN TRP LEU GLY CYS          
SEQRES  52 B  916  ARG SER HIS SER SER ALA GLN PHE LEU ILE GLY ASP GLN          
SEQRES  53 B  916  GLU PRO TRP ALA PHE ARG GLY GLY LEU ALA GLY GLU PHE          
SEQRES  54 B  916  GLN ARG LEU LEU PRO ILE ASP GLY ALA ASN ASP LEU PHE          
SEQRES  55 B  916  PHE GLN PRO PRO PRO LEU THR PRO THR SER LYS VAL TYR          
SEQRES  56 B  916  THR ILE ARG PRO TYR PHE PRO LYS ASP GLU ALA SER VAL          
SEQRES  57 B  916  TYR LYS ILE CYS ARG GLU MET TYR ASP ASP GLY VAL GLY          
SEQRES  58 B  916  LEU PRO PHE GLN SER GLN PRO ASP LEU ILE GLY ASP LYS          
SEQRES  59 B  916  LEU VAL GLY GLY LEU LEU SER LEU SER LEU ASP TYR CYS          
SEQRES  60 B  916  PHE VAL LEU GLU ASP GLU ASP GLY ILE CYS GLY TYR ALA          
SEQRES  61 B  916  LEU GLY THR VAL ASP VAL THR PRO PHE ILE LYS LYS CYS          
SEQRES  62 B  916  LYS ILE SER TRP ILE PRO PHE MET GLN GLU LYS TYR THR          
SEQRES  63 B  916  LYS PRO ASN GLY ASP LYS GLU LEU SER GLU ALA GLU LYS          
SEQRES  64 B  916  ILE MET LEU SER PHE HIS GLU GLU GLN GLU VAL LEU PRO          
SEQRES  65 B  916  GLU THR PHE LEU ALA ASN PHE PRO SER LEU ILE LYS MET          
SEQRES  66 B  916  ASP ILE HIS LYS LYS VAL THR ASP PRO SER VAL ALA LYS          
SEQRES  67 B  916  SER MET MET ALA CYS LEU LEU SER SER LEU LYS ALA ASN          
SEQRES  68 B  916  GLY SER ARG GLY ALA PHE CYS GLU VAL ARG PRO ASP ASP          
SEQRES  69 B  916  LYS ARG ILE LEU GLU PHE TYR SER LYS LEU GLY CYS PHE          
SEQRES  70 B  916  GLU ILE ALA LYS MET GLU GLY PHE PRO LYS ASP VAL VAL          
SEQRES  71 B  916  ILE LEU GLY ARG SER LEU                                      
FORMUL   3  HOH   *(H2 O)                                                       
HELIX    1 AA1 VAL A   74  TRP A   88  1                                  15    
HELIX    2 AA2 SER A  112  TYR A  129  1                                  18    
HELIX    3 AA3 ASN A  147  GLN A  163  1                                  17    
HELIX    4 AA4 CYS A  181  GLU A  186  1                                   6    
HELIX    5 AA5 SER A  190  LEU A  206  1                                  17    
HELIX    6 AA6 ASN A  227  GLN A  230  5                                   4    
HELIX    7 AA7 SER A  231  LEU A  241  1                                  11    
HELIX    8 AA8 PRO A  260  LYS A  272  1                                  13    
HELIX    9 AA9 SER A  300  ILE A  304  5                                   5    
HELIX   10 AB1 GLU A  317  ALA A  320  5                                   4    
HELIX   11 AB2 ASN A  321  SER A  334  1                                  14    
HELIX   12 AB3 SER A  375  GLY A  392  1                                  18    
HELIX   13 AB4 THR A  554  PHE A  565  1                                  12    
HELIX   14 AB5 GLY A  572  ASN A  588  1                                  17    
HELIX   15 AB6 SER A  589  SER A  593  5                                   5    
HELIX   16 AB7 LYS A  603  SER A  629  1                                  27    
HELIX   17 AB8 ARG A  634  GLY A  662  1                                  29    
HELIX   18 AB9 GLU A  677  ARG A  682  5                                   6    
HELIX   19 AC1 GLY A  684  ARG A  691  1                                   8    
HELIX   20 AC2 VAL B   74  TRP B   88  1                                  15    
HELIX   21 AC3 ASP B  100  ARG B  104  5                                   5    
HELIX   22 AC4 SER B  112  TYR B  129  1                                  18    
HELIX   23 AC5 ASN B  147  GLY B  165  1                                  19    
HELIX   24 AC6 CYS B  181  GLU B  186  1                                   6    
HELIX   25 AC7 SER B  190  LEU B  206  1                                  17    
HELIX   26 AC8 CYS B  220  CYS B  224  5                                   5    
HELIX   27 AC9 ASN B  227  GLN B  230  5                                   4    
HELIX   28 AD1 SER B  231  LEU B  241  1                                  11    
HELIX   29 AD2 PRO B  260  LYS B  272  1                                  13    
HELIX   30 AD3 SER B  300  LEU B  307  5                                   8    
HELIX   31 AD4 GLU B  317  ALA B  320  5                                   4    
HELIX   32 AD5 ASN B  321  ASN B  335  1                                  15    
HELIX   33 AD6 SER B  375  GLY B  392  1                                  18    
HELIX   34 AD7 THR B  554  PHE B  565  1                                  12    
HELIX   35 AD8 GLY B  572  ASN B  588  1                                  17    
HELIX   36 AD9 ASP B  600  CYS B  631  1                                  32    
HELIX   37 AE1 ARG B  634  ASP B  639  1                                   6    
HELIX   38 AE2 MET B  640  GLY B  662  1                                  23    
HELIX   39 AE3 GLU B  677  ARG B  682  5                                   6    
HELIX   40 AE4 GLY B  683  ARG B  691  1                                   9    
SHEET    1 AA1 9 LEU A  61  GLU A  66  0                                        
SHEET    2 AA1 9 THR A  92  TYR A  95  1  O  LEU A  94   N  GLU A  66           
SHEET    3 AA1 9 GLU A 132  ILE A 137  1  O  ILE A 134   N  TYR A  95           
SHEET    4 AA1 9 SER A 168  LEU A 172  1  O  LEU A 172   N  ILE A 137           
SHEET    5 AA1 9 PHE A 212  CYS A 215  1  O  LEU A 213   N  LEU A 171           
SHEET    6 AA1 9 GLU A 246  TRP A 249  1  O  LEU A 248   N  PHE A 214           
SHEET    7 AA1 9 VAL A 276  ASP A 279  1  O  TRP A 278   N  TRP A 249           
SHEET    8 AA1 9 GLY A 309  THR A 312  1  O  LEU A 311   N  ILE A 277           
SHEET    9 AA1 9 LEU A  61  GLU A  66  1  N  VAL A  65   O  THR A 312           
SHEET    1 AA2 9 LEU B  61  GLU B  66  0                                        
SHEET    2 AA2 9 THR B  92  TYR B  95  1  O  LEU B  94   N  GLU B  66           
SHEET    3 AA2 9 GLU B 132  ILE B 137  1  O  ILE B 134   N  TYR B  95           
SHEET    4 AA2 9 SER B 168  LEU B 172  1  O  LEU B 172   N  ILE B 137           
SHEET    5 AA2 9 PHE B 212  CYS B 215  1  O  LEU B 213   N  LEU B 171           
SHEET    6 AA2 9 GLU B 246  TRP B 249  1  O  GLU B 246   N  PHE B 214           
SHEET    7 AA2 9 VAL B 276  ASP B 279  1  O  VAL B 276   N  VAL B 247           
SHEET    8 AA2 9 GLY B 309  THR B 312  1  O  LEU B 311   N  ILE B 277           
SHEET    9 AA2 9 LEU B  61  GLU B  66  1  N  GLY B  63   O  THR B 312           
CISPEP   1 TYR A  225    PRO A  226          0         7.26                     
CISPEP   2 TYR B  225    PRO B  226          0        -1.09                     
CRYST1  222.168  222.168   72.396  90.00  90.00 120.00 P 31 2 1     12          
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      0.004501  0.002599  0.000000        0.00000                         
SCALE2      0.000000  0.005197  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013813        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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