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Database: PDB
Entry: 2RGZ
LinkDB: 2RGZ
Original site: 2RGZ 
HEADER    OXIDOREDUCTASE                          05-OCT-07   2RGZ              
TITLE     ENSEMBLE REFINEMENT OF THE PROTEIN CRYSTAL STRUCTURE OF HUMAN HEME    
TITLE    2 OXYGENASE-2 C127A (HO-2) WITH BOUND HEME                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HEME OXYGENASE 2;                                          
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: HO-2;                                                       
COMPND   5 EC: 1.14.99.3;                                                       
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 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: HMOX2, HO2;                                                    
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX 4T-2                                 
KEYWDS    ENSEMBLE REFINEMENT, REFINEMENT METHODOLOGY DEVELOPMENT, STRUCTURAL   
KEYWDS   2 GENOMICS MEDICAL RELEVANCE, STRUCTURAL GENOMICS COMMUNITY REQUEST,   
KEYWDS   3 HO-2, HEME OXYGENASE, ENDOPLASMIC RETICULUM, IRON, METAL-BINDING,    
KEYWDS   4 MICROSOME, OXIDOREDUCTASE, STRUCTURAL GENOMICS, PROTEIN STRUCTURE    
KEYWDS   5 INITIATIVE, PSI, CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS, CESG     
EXPDTA    X-RAY DIFFRACTION                                                     
NUMMDL    16                                                                    
AUTHOR    C.M.BIANCHETTI,C.A.BINGMAN,E.BITTO,G.E.WESENBERG,G.N.PHILLIPS JR.,    
AUTHOR   2 CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS (CESG)                     
REVDAT   5   25-OCT-17 2RGZ    1       REMARK                                   
REVDAT   4   10-AUG-11 2RGZ    1       REMARK                                   
REVDAT   3   24-FEB-09 2RGZ    1       VERSN                                    
REVDAT   2   22-JAN-08 2RGZ    1       JRNL                                     
REVDAT   1   23-OCT-07 2RGZ    0                                                
JRNL        AUTH   C.M.BIANCHETTI,L.YI,S.W.RAGSDALE,G.N.PHILLIPS JR.            
JRNL        TITL   COMPARISON OF APO- AND HEME-BOUND CRYSTAL STRUCTURES OF A    
JRNL        TITL 2 TRUNCATED HUMAN HEME OXYGENASE-2.                            
JRNL        REF    J.BIOL.CHEM.                  V. 282 37624 2007              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   17965015                                                     
JRNL        DOI    10.1074/JBC.M707396200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.61 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : MAXIMUM LIKELIHOOD USING AMPLITUDES             
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.61                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 39.02                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1772722.500                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 99.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 19515                          
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 SET) : 0.161                           
REMARK   3   FREE R VALUE                     : 0.249                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1005                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.008                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.61                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.77                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 96.70                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 2977                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3180                       
REMARK   3   BIN FREE R VALUE                    : 0.3730                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.90                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 154                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.030                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3552                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 86                                      
REMARK   3   SOLVENT ATOMS            : 83                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 56.50                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.00000                                              
REMARK   3    B22 (A**2) : 0.00000                                              
REMARK   3    B33 (A**2) : 0.00000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.25                            
REMARK   3   ESD FROM SIGMAA              (A) : 0.26                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.39                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.38                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.008                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.600                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 20.10                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 0.950                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.020 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.560 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 1.660 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 2.200 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.33                                                 
REMARK   3   BSOL        : 53.31                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : HEMEFE+3.PAR                                   
REMARK   3  PARAMETER FILE  4  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3  TOPOLOGY FILE  4   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THIS PDB ENTRY IS A RE-REFINEMENT USING AN ENSEMBLE MODEL OF THE    
REMARK   3  PREVIOUSLY                                                          
REMARK   3  DEPOSITED SINGLE-CONFORMER STRUCTURE 2QPP AND                       
REMARK   3  THE FIRST DATA SET IN THE DEPOSITED STRUCTURE FACTOR FILE           
REMARK   3  FOR 2QPP ALONG WITH THE R-FREE SET DEFINED THEREIN. THE COORDINATES 
REMARK   3  WERE GENERATED BY AN AUTOMATED PROTOCOL FROM AN INITIAL MODEL       
REMARK   3  CONSISTING                                                          
REMARK   3  OF 16 IDENTICAL COPIES OF THE PROTEIN AND NON-WATER                 
REMARK   3  HETERO-ATOMS ASSIGNED FRACTIONAL OCCUPANCIES ADDING UP TO ONE, AND  
REMARK   3  A                                                                   
REMARK   3  SINGLE COPY OF THE SOLVENT MOLECULES. REFINEMENT WAS CARRIED OUT    
REMARK   3  WITH                                                                
REMARK   3  ALL THE CONFORMERS PRESENT SIMULTANEOUSLY AND WITH THE POTENTIAL    
REMARK   3  ENERGY                                                              
REMARK   3  TERMS CORRESPONDING TO INTERACTIONS BETWEEN THE DIFFERENT           
REMARK   3  CONFORMERS                                                          
REMARK   3  EXCLUDED. THE HELIX AND SHEET RECORDS WERE CALCULATED USING         
REMARK   3  COORDINATES                                                         
REMARK   3  FROM THE FIRST CONFORMER ONLY. THE STRUCTURE VISUALIZATION PROGRAM  
REMARK   3  PYMOL IS WELL-SUITED FOR DIRECTLY VIEWING THE ENSEMBLE MODEL        
REMARK   3  PRESENTED IN THIS PDB FILE.                                         
REMARK   4                                                                      
REMARK   4 2RGZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-OCT-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000044847.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 06-JUL-07                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 23-ID-B                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97946                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL CRYO-COOLED         
REMARK 200                                   SI(111)                            
REMARK 200  OPTICS                         : ADJUSTABLE FOCUS K-B PAIR SI       
REMARK 200                                   PLUS PT, RH COATINGS               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 24030                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.320                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 42.413                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 85.6                               
REMARK 200  DATA REDUNDANCY                : 11.60                              
REMARK 200  R MERGE                    (I) : 0.08300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.2680                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.32                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.40                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 27.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 1.80                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.71500                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 0.776                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MULTI-CONFORMER RE           
REMARK 200  -REFINEMENT                                                         
REMARK 200 SOFTWARE USED: CNS 1.1                                               
REMARK 200 STARTING MODEL: PDB ENTRY 2QPP                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 51.94                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.56                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN SOLUTION (5 MG/ML PROTEIN, 1:1   
REMARK 280  RATIO HEME, 2% DMSO, 0.050 M POTASSIUM CHLORIDE, 0.050 M TRIS-      
REMARK 280  HCL PH 7.5) MIXED IN A 1.5:1 RATIO WITH THE WELL SOLUTION (33%      
REMARK 280  PEG DME 500, 0.020 M MAGNESIUM CHLORIDE, 0.10 M HEPES PH 7.5).      
REMARK 280  CRYOPROTECTED WITH WELL SOLUTION, VAPOR DIFFUSION, HANGING DROP,    
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       37.48850            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       48.92300            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       42.54700            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       48.92300            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       37.48850            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       42.54700            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
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 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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: 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   1 MET A     1                                                      
REMARK 465   1 SER A     2                                                      
REMARK 465   1 ALA A     3                                                      
REMARK 465   1 GLU A     4                                                      
REMARK 465   1 VAL A     5                                                      
REMARK 465   1 GLU A     6                                                      
REMARK 465   1 THR A     7                                                      
REMARK 465   1 SER A     8                                                      
REMARK 465   1 GLU A     9                                                      
REMARK 465   1 GLY A    10                                                      
REMARK 465   1 VAL A    11                                                      
REMARK 465   1 ASP A    12                                                      
REMARK 465   1 GLU A    13                                                      
REMARK 465   1 SER A    14                                                      
REMARK 465   1 GLU A    15                                                      
REMARK 465   1 LYS A    16                                                      
REMARK 465   1 LYS A    17                                                      
REMARK 465   1 ASN A    18                                                      
REMARK 465   1 SER A    19                                                      
REMARK 465   1 GLY A    20                                                      
REMARK 465   1 ALA A    21                                                      
REMARK 465   1 LEU A    22                                                      
REMARK 465   1 GLU A    23                                                      
REMARK 465   1 LYS A    24                                                      
REMARK 465   1 GLU A    25                                                      
REMARK 465   1 ASN A    26                                                      
REMARK 465   1 GLN A    27                                                      
REMARK 465   1 MET A    28                                                      
REMARK 465   1 THR A   243                                                      
REMARK 465   1 LEU A   244                                                      
REMARK 465   1 ALA A   245                                                      
REMARK 465   1 ARG A   246                                                      
REMARK 465   1 GLU A   247                                                      
REMARK 465   1 THR A   248                                                      
REMARK 465   1 LEU A   249                                                      
REMARK 465   1 GLU A   250                                                      
REMARK 465   1 ASP A   251                                                      
REMARK 465   1 GLY A   252                                                      
REMARK 465   1 PHE A   253                                                      
REMARK 465   1 PRO A   254                                                      
REMARK 465   1 VAL A   255                                                      
REMARK 465   1 HIS A   256                                                      
REMARK 465   1 ASP A   257                                                      
REMARK 465   1 GLY A   258                                                      
REMARK 465   1 LYS A   259                                                      
REMARK 465   1 GLY A   260                                                      
REMARK 465   1 ASP A   261                                                      
REMARK 465   1 MET A   262                                                      
REMARK 465   1 ARG A   263                                                      
REMARK 465   1 LYS A   264                                                      
REMARK 465   1 MET B     1                                                      
REMARK 465   1 SER B     2                                                      
REMARK 465   1 ALA B     3                                                      
REMARK 465   1 GLU B     4                                                      
REMARK 465   1 VAL B     5                                                      
REMARK 465   1 GLU B     6                                                      
REMARK 465   1 THR B     7                                                      
REMARK 465   1 SER B     8                                                      
REMARK 465   1 GLU B     9                                                      
REMARK 465   1 GLY B    10                                                      
REMARK 465   1 VAL B    11                                                      
REMARK 465   1 ASP B    12                                                      
REMARK 465   1 GLU B    13                                                      
REMARK 465   1 SER B    14                                                      
REMARK 465   1 GLU B    15                                                      
REMARK 465   1 LYS B    16                                                      
REMARK 465   1 LYS B    17                                                      
REMARK 465   1 ASN B    18                                                      
REMARK 465   1 SER B    19                                                      
REMARK 465   1 GLY B    20                                                      
REMARK 465   1 ALA B    21                                                      
REMARK 465   1 LEU B    22                                                      
REMARK 465   1 GLU B    23                                                      
REMARK 465   1 LYS B    24                                                      
REMARK 465   1 GLU B    25                                                      
REMARK 465   1 ASN B    26                                                      
REMARK 465   1 GLN B    27                                                      
REMARK 465   1 MET B    28                                                      
REMARK 465   1 ARG B    29                                                      
REMARK 465   1 LEU B   249                                                      
REMARK 465   1 GLU B   250                                                      
REMARK 465   1 ASP B   251                                                      
REMARK 465   1 GLY B   252                                                      
REMARK 465   1 PHE B   253                                                      
REMARK 465   1 PRO B   254                                                      
REMARK 465   1 VAL B   255                                                      
REMARK 465   1 HIS B   256                                                      
REMARK 465   1 ASP B   257                                                      
REMARK 465   1 GLY B   258                                                      
REMARK 465   1 LYS B   259                                                      
REMARK 465   1 GLY B   260                                                      
REMARK 465   1 ASP B   261                                                      
REMARK 465   1 MET B   262                                                      
REMARK 465   1 ARG B   263                                                      
REMARK 465   1 LYS B   264                                                      
REMARK 465   2 MET A     1                                                      
REMARK 465   2 SER A     2                                                      
REMARK 465   2 ALA A     3                                                      
REMARK 465   2 GLU A     4                                                      
REMARK 465   2 VAL A     5                                                      
REMARK 465   2 GLU A     6                                                      
REMARK 465   2 THR A     7                                                      
REMARK 465   2 SER A     8                                                      
REMARK 465   2 GLU A     9                                                      
REMARK 465   2 GLY A    10                                                      
REMARK 465   2 VAL A    11                                                      
REMARK 465   2 ASP A    12                                                      
REMARK 465   2 GLU A    13                                                      
REMARK 465   2 SER A    14                                                      
REMARK 465   2 GLU A    15                                                      
REMARK 465   2 LYS A    16                                                      
REMARK 465   2 LYS A    17                                                      
REMARK 465   2 ASN A    18                                                      
REMARK 465   2 SER A    19                                                      
REMARK 465   2 GLY A    20                                                      
REMARK 465   2 ALA A    21                                                      
REMARK 465   2 LEU A    22                                                      
REMARK 465   2 GLU A    23                                                      
REMARK 465   2 LYS A    24                                                      
REMARK 465   2 GLU A    25                                                      
REMARK 465   2 ASN A    26                                                      
REMARK 465   2 GLN A    27                                                      
REMARK 465   2 MET A    28                                                      
REMARK 465   2 THR A   243                                                      
REMARK 465   2 LEU A   244                                                      
REMARK 465   2 ALA A   245                                                      
REMARK 465   2 ARG A   246                                                      
REMARK 465   2 GLU A   247                                                      
REMARK 465   2 THR A   248                                                      
REMARK 465   2 LEU A   249                                                      
REMARK 465   2 GLU A   250                                                      
REMARK 465   2 ASP A   251                                                      
REMARK 465   2 GLY A   252                                                      
REMARK 465   2 PHE A   253                                                      
REMARK 465   2 PRO A   254                                                      
REMARK 465   2 VAL A   255                                                      
REMARK 465   2 HIS A   256                                                      
REMARK 465   2 ASP A   257                                                      
REMARK 465   2 GLY A   258                                                      
REMARK 465   2 LYS A   259                                                      
REMARK 465   2 GLY A   260                                                      
REMARK 465   2 ASP A   261                                                      
REMARK 465   2 MET A   262                                                      
REMARK 465   2 ARG A   263                                                      
REMARK 465   2 LYS A   264                                                      
REMARK 465   2 MET B     1                                                      
REMARK 465   2 SER B     2                                                      
REMARK 465   2 ALA B     3                                                      
REMARK 465   2 GLU B     4                                                      
REMARK 465   2 VAL B     5                                                      
REMARK 465   2 GLU B     6                                                      
REMARK 465   2 THR B     7                                                      
REMARK 465   2 SER B     8                                                      
REMARK 465   2 GLU B     9                                                      
REMARK 465   2 GLY B    10                                                      
REMARK 465   2 VAL B    11                                                      
REMARK 465   2 ASP B    12                                                      
REMARK 465   2 GLU B    13                                                      
REMARK 465   2 SER B    14                                                      
REMARK 465   2 GLU B    15                                                      
REMARK 465   2 LYS B    16                                                      
REMARK 465   2 LYS B    17                                                      
REMARK 465   2 ASN B    18                                                      
REMARK 465   2 SER B    19                                                      
REMARK 465   2 GLY B    20                                                      
REMARK 465   2 ALA B    21                                                      
REMARK 465   2 LEU B    22                                                      
REMARK 465   2 GLU B    23                                                      
REMARK 465   2 LYS B    24                                                      
REMARK 465   2 GLU B    25                                                      
REMARK 465   2 ASN B    26                                                      
REMARK 465   2 GLN B    27                                                      
REMARK 465   2 MET B    28                                                      
REMARK 465   2 ARG B    29                                                      
REMARK 465   2 LEU B   249                                                      
REMARK 465   2 GLU B   250                                                      
REMARK 465   2 ASP B   251                                                      
REMARK 465   2 GLY B   252                                                      
REMARK 465   2 PHE B   253                                                      
REMARK 465   2 PRO B   254                                                      
REMARK 465   2 VAL B   255                                                      
REMARK 465   2 HIS B   256                                                      
REMARK 465   2 ASP B   257                                                      
REMARK 465   2 GLY B   258                                                      
REMARK 465   2 LYS B   259                                                      
REMARK 465   2 GLY B   260                                                      
REMARK 465   2 ASP B   261                                                      
REMARK 465   2 MET B   262                                                      
REMARK 465   2 ARG B   263                                                      
REMARK 465   2 LYS B   264                                                      
REMARK 465   3 MET A     1                                                      
REMARK 465   3 SER A     2                                                      
REMARK 465   3 ALA A     3                                                      
REMARK 465   3 GLU A     4                                                      
REMARK 465   3 VAL A     5                                                      
REMARK 465   3 GLU A     6                                                      
REMARK 465   3 THR A     7                                                      
REMARK 465   3 SER A     8                                                      
REMARK 465   3 GLU A     9                                                      
REMARK 465   3 GLY A    10                                                      
REMARK 465   3 VAL A    11                                                      
REMARK 465   3 ASP A    12                                                      
REMARK 465   3 GLU A    13                                                      
REMARK 465   3 SER A    14                                                      
REMARK 465   3 GLU A    15                                                      
REMARK 465   3 LYS A    16                                                      
REMARK 465   3 LYS A    17                                                      
REMARK 465   3 ASN A    18                                                      
REMARK 465   3 SER A    19                                                      
REMARK 465   3 GLY A    20                                                      
REMARK 465   3 ALA A    21                                                      
REMARK 465   3 LEU A    22                                                      
REMARK 465   3 GLU A    23                                                      
REMARK 465   3 LYS A    24                                                      
REMARK 465   3 GLU A    25                                                      
REMARK 465   3 ASN A    26                                                      
REMARK 465   3 GLN A    27                                                      
REMARK 465   3 MET A    28                                                      
REMARK 465   3 THR A   243                                                      
REMARK 465   3 LEU A   244                                                      
REMARK 465   3 ALA A   245                                                      
REMARK 465   3 ARG A   246                                                      
REMARK 465   3 GLU A   247                                                      
REMARK 465   3 THR A   248                                                      
REMARK 465   3 LEU A   249                                                      
REMARK 465   3 GLU A   250                                                      
REMARK 465   3 ASP A   251                                                      
REMARK 465   3 GLY A   252                                                      
REMARK 465   3 PHE A   253                                                      
REMARK 465   3 PRO A   254                                                      
REMARK 465   3 VAL A   255                                                      
REMARK 465   3 HIS A   256                                                      
REMARK 465   3 ASP A   257                                                      
REMARK 465   3 GLY A   258                                                      
REMARK 465   3 LYS A   259                                                      
REMARK 465   3 GLY A   260                                                      
REMARK 465   3 ASP A   261                                                      
REMARK 465   3 MET A   262                                                      
REMARK 465   3 ARG A   263                                                      
REMARK 465   3 LYS A   264                                                      
REMARK 465   3 MET B     1                                                      
REMARK 465   3 SER B     2                                                      
REMARK 465   3 ALA B     3                                                      
REMARK 465   3 GLU B     4                                                      
REMARK 465   3 VAL B     5                                                      
REMARK 465   3 GLU B     6                                                      
REMARK 465   3 THR B     7                                                      
REMARK 465   3 SER B     8                                                      
REMARK 465   3 GLU B     9                                                      
REMARK 465   3 GLY B    10                                                      
REMARK 465   3 VAL B    11                                                      
REMARK 465   3 ASP B    12                                                      
REMARK 465   3 GLU B    13                                                      
REMARK 465   3 SER B    14                                                      
REMARK 465   3 GLU B    15                                                      
REMARK 465   3 LYS B    16                                                      
REMARK 465   3 LYS B    17                                                      
REMARK 465   3 ASN B    18                                                      
REMARK 465   3 SER B    19                                                      
REMARK 465   3 GLY B    20                                                      
REMARK 465   3 ALA B    21                                                      
REMARK 465   3 LEU B    22                                                      
REMARK 465   3 GLU B    23                                                      
REMARK 465   3 LYS B    24                                                      
REMARK 465   3 GLU B    25                                                      
REMARK 465   3 ASN B    26                                                      
REMARK 465   3 GLN B    27                                                      
REMARK 465   3 MET B    28                                                      
REMARK 465   3 ARG B    29                                                      
REMARK 465   3 LEU B   249                                                      
REMARK 465   3 GLU B   250                                                      
REMARK 465   3 ASP B   251                                                      
REMARK 465   3 GLY B   252                                                      
REMARK 465   3 PHE B   253                                                      
REMARK 465   3 PRO B   254                                                      
REMARK 465   3 VAL B   255                                                      
REMARK 465   3 HIS B   256                                                      
REMARK 465   3 ASP B   257                                                      
REMARK 465   3 GLY B   258                                                      
REMARK 465   3 LYS B   259                                                      
REMARK 465   3 GLY B   260                                                      
REMARK 465   3 ASP B   261                                                      
REMARK 465   3 MET B   262                                                      
REMARK 465   3 ARG B   263                                                      
REMARK 465   3 LYS B   264                                                      
REMARK 465   4 MET A     1                                                      
REMARK 465   4 SER A     2                                                      
REMARK 465   4 ALA A     3                                                      
REMARK 465   4 GLU A     4                                                      
REMARK 465   4 VAL A     5                                                      
REMARK 465   4 GLU A     6                                                      
REMARK 465   4 THR A     7                                                      
REMARK 465   4 SER A     8                                                      
REMARK 465   4 GLU A     9                                                      
REMARK 465   4 GLY A    10                                                      
REMARK 465   4 VAL A    11                                                      
REMARK 465   4 ASP A    12                                                      
REMARK 465   4 GLU A    13                                                      
REMARK 465   4 SER A    14                                                      
REMARK 465   4 GLU A    15                                                      
REMARK 465   4 LYS A    16                                                      
REMARK 465   4 LYS A    17                                                      
REMARK 465   4 ASN A    18                                                      
REMARK 465   4 SER A    19                                                      
REMARK 465   4 GLY A    20                                                      
REMARK 465   4 ALA A    21                                                      
REMARK 465   4 LEU A    22                                                      
REMARK 465   4 GLU A    23                                                      
REMARK 465   4 LYS A    24                                                      
REMARK 465   4 GLU A    25                                                      
REMARK 465   4 ASN A    26                                                      
REMARK 465   4 GLN A    27                                                      
REMARK 465   4 MET A    28                                                      
REMARK 465   4 THR A   243                                                      
REMARK 465   4 LEU A   244                                                      
REMARK 465   4 ALA A   245                                                      
REMARK 465   4 ARG A   246                                                      
REMARK 465   4 GLU A   247                                                      
REMARK 465   4 THR A   248                                                      
REMARK 465   4 LEU A   249                                                      
REMARK 465   4 GLU A   250                                                      
REMARK 465   4 ASP A   251                                                      
REMARK 465   4 GLY A   252                                                      
REMARK 465   4 PHE A   253                                                      
REMARK 465   4 PRO A   254                                                      
REMARK 465   4 VAL A   255                                                      
REMARK 465   4 HIS A   256                                                      
REMARK 465   4 ASP A   257                                                      
REMARK 465   4 GLY A   258                                                      
REMARK 465   4 LYS A   259                                                      
REMARK 465   4 GLY A   260                                                      
REMARK 465   4 ASP A   261                                                      
REMARK 465   4 MET A   262                                                      
REMARK 465   4 ARG A   263                                                      
REMARK 465   4 LYS A   264                                                      
REMARK 465   4 MET B     1                                                      
REMARK 465   4 SER B     2                                                      
REMARK 465   4 ALA B     3                                                      
REMARK 465   4 GLU B     4                                                      
REMARK 465   4 VAL B     5                                                      
REMARK 465   4 GLU B     6                                                      
REMARK 465   4 THR B     7                                                      
REMARK 465   4 SER B     8                                                      
REMARK 465   4 GLU B     9                                                      
REMARK 465   4 GLY B    10                                                      
REMARK 465   4 VAL B    11                                                      
REMARK 465   4 ASP B    12                                                      
REMARK 465   4 GLU B    13                                                      
REMARK 465   4 SER B    14                                                      
REMARK 465   4 GLU B    15                                                      
REMARK 465   4 LYS B    16                                                      
REMARK 465   4 LYS B    17                                                      
REMARK 465   4 ASN B    18                                                      
REMARK 465   4 SER B    19                                                      
REMARK 465   4 GLY B    20                                                      
REMARK 465   4 ALA B    21                                                      
REMARK 465   4 LEU B    22                                                      
REMARK 465   4 GLU B    23                                                      
REMARK 465   4 LYS B    24                                                      
REMARK 465   4 GLU B    25                                                      
REMARK 465   4 ASN B    26                                                      
REMARK 465   4 GLN B    27                                                      
REMARK 465   4 MET B    28                                                      
REMARK 465   4 ARG B    29                                                      
REMARK 465   4 LEU B   249                                                      
REMARK 465   4 GLU B   250                                                      
REMARK 465   4 ASP B   251                                                      
REMARK 465   4 GLY B   252                                                      
REMARK 465   4 PHE B   253                                                      
REMARK 465   4 PRO B   254                                                      
REMARK 465   4 VAL B   255                                                      
REMARK 465   4 HIS B   256                                                      
REMARK 465   4 ASP B   257                                                      
REMARK 465   4 GLY B   258                                                      
REMARK 465   4 LYS B   259                                                      
REMARK 465   4 GLY B   260                                                      
REMARK 465   4 ASP B   261                                                      
REMARK 465   4 MET B   262                                                      
REMARK 465   4 ARG B   263                                                      
REMARK 465   4 LYS B   264                                                      
REMARK 465   5 MET A     1                                                      
REMARK 465   5 SER A     2                                                      
REMARK 465   5 ALA A     3                                                      
REMARK 465   5 GLU A     4                                                      
REMARK 465   5 VAL A     5                                                      
REMARK 465   5 GLU A     6                                                      
REMARK 465   5 THR A     7                                                      
REMARK 465   5 SER A     8                                                      
REMARK 465   5 GLU A     9                                                      
REMARK 465   5 GLY A    10                                                      
REMARK 465   5 VAL A    11                                                      
REMARK 465   5 ASP A    12                                                      
REMARK 465   5 GLU A    13                                                      
REMARK 465   5 SER A    14                                                      
REMARK 465   5 GLU A    15                                                      
REMARK 465   5 LYS A    16                                                      
REMARK 465   5 LYS A    17                                                      
REMARK 465   5 ASN A    18                                                      
REMARK 465   5 SER A    19                                                      
REMARK 465   5 GLY A    20                                                      
REMARK 465   5 ALA A    21                                                      
REMARK 465   5 LEU A    22                                                      
REMARK 465   5 GLU A    23                                                      
REMARK 465   5 LYS A    24                                                      
REMARK 465   5 GLU A    25                                                      
REMARK 465   5 ASN A    26                                                      
REMARK 465   5 GLN A    27                                                      
REMARK 465   5 MET A    28                                                      
REMARK 465   5 THR A   243                                                      
REMARK 465   5 LEU A   244                                                      
REMARK 465   5 ALA A   245                                                      
REMARK 465   5 ARG A   246                                                      
REMARK 465   5 GLU A   247                                                      
REMARK 465   5 THR A   248                                                      
REMARK 465   5 LEU A   249                                                      
REMARK 465   5 GLU A   250                                                      
REMARK 465   5 ASP A   251                                                      
REMARK 465   5 GLY A   252                                                      
REMARK 465   5 PHE A   253                                                      
REMARK 465   5 PRO A   254                                                      
REMARK 465   5 VAL A   255                                                      
REMARK 465   5 HIS A   256                                                      
REMARK 465   5 ASP A   257                                                      
REMARK 465   5 GLY A   258                                                      
REMARK 465   5 LYS A   259                                                      
REMARK 465   5 GLY A   260                                                      
REMARK 465   5 ASP A   261                                                      
REMARK 465   5 MET A   262                                                      
REMARK 465   5 ARG A   263                                                      
REMARK 465   5 LYS A   264                                                      
REMARK 465   5 MET B     1                                                      
REMARK 465   5 SER B     2                                                      
REMARK 465   5 ALA B     3                                                      
REMARK 465   5 GLU B     4                                                      
REMARK 465   5 VAL B     5                                                      
REMARK 465   5 GLU B     6                                                      
REMARK 465   5 THR B     7                                                      
REMARK 465   5 SER B     8                                                      
REMARK 465   5 GLU B     9                                                      
REMARK 465   5 GLY B    10                                                      
REMARK 465   5 VAL B    11                                                      
REMARK 465   5 ASP B    12                                                      
REMARK 465   5 GLU B    13                                                      
REMARK 465   5 SER B    14                                                      
REMARK 465   5 GLU B    15                                                      
REMARK 465   5 LYS B    16                                                      
REMARK 465   5 LYS B    17                                                      
REMARK 465   5 ASN B    18                                                      
REMARK 465   5 SER B    19                                                      
REMARK 465   5 GLY B    20                                                      
REMARK 465   5 ALA B    21                                                      
REMARK 465   5 LEU B    22                                                      
REMARK 465   5 GLU B    23                                                      
REMARK 465   5 LYS B    24                                                      
REMARK 465   5 GLU B    25                                                      
REMARK 465   5 ASN B    26                                                      
REMARK 465   5 GLN B    27                                                      
REMARK 465   5 MET B    28                                                      
REMARK 465   5 ARG B    29                                                      
REMARK 465   5 LEU B   249                                                      
REMARK 465   5 GLU B   250                                                      
REMARK 465   5 ASP B   251                                                      
REMARK 465   5 GLY B   252                                                      
REMARK 465   5 PHE B   253                                                      
REMARK 465   5 PRO B   254                                                      
REMARK 465   5 VAL B   255                                                      
REMARK 465   5 HIS B   256                                                      
REMARK 465   5 ASP B   257                                                      
REMARK 465   5 GLY B   258                                                      
REMARK 465   5 LYS B   259                                                      
REMARK 465   5 GLY B   260                                                      
REMARK 465   5 ASP B   261                                                      
REMARK 465   5 MET B   262                                                      
REMARK 465   5 ARG B   263                                                      
REMARK 465   5 LYS B   264                                                      
REMARK 465   6 MET A     1                                                      
REMARK 465   6 SER A     2                                                      
REMARK 465   6 ALA A     3                                                      
REMARK 465   6 GLU A     4                                                      
REMARK 465   6 VAL A     5                                                      
REMARK 465   6 GLU A     6                                                      
REMARK 465   6 THR A     7                                                      
REMARK 465   6 SER A     8                                                      
REMARK 465   6 GLU A     9                                                      
REMARK 465   6 GLY A    10                                                      
REMARK 465   6 VAL A    11                                                      
REMARK 465   6 ASP A    12                                                      
REMARK 465   6 GLU A    13                                                      
REMARK 465   6 SER A    14                                                      
REMARK 465   6 GLU A    15                                                      
REMARK 465   6 LYS A    16                                                      
REMARK 465   6 LYS A    17                                                      
REMARK 465   6 ASN A    18                                                      
REMARK 465   6 SER A    19                                                      
REMARK 465   6 GLY A    20                                                      
REMARK 465   6 ALA A    21                                                      
REMARK 465   6 LEU A    22                                                      
REMARK 465   6 GLU A    23                                                      
REMARK 465   6 LYS A    24                                                      
REMARK 465   6 GLU A    25                                                      
REMARK 465   6 ASN A    26                                                      
REMARK 465   6 GLN A    27                                                      
REMARK 465   6 MET A    28                                                      
REMARK 465   6 THR A   243                                                      
REMARK 465   6 LEU A   244                                                      
REMARK 465   6 ALA A   245                                                      
REMARK 465   6 ARG A   246                                                      
REMARK 465   6 GLU A   247                                                      
REMARK 465   6 THR A   248                                                      
REMARK 465   6 LEU A   249                                                      
REMARK 465   6 GLU A   250                                                      
REMARK 465   6 ASP A   251                                                      
REMARK 465   6 GLY A   252                                                      
REMARK 465   6 PHE A   253                                                      
REMARK 465   6 PRO A   254                                                      
REMARK 465   6 VAL A   255                                                      
REMARK 465   6 HIS A   256                                                      
REMARK 465   6 ASP A   257                                                      
REMARK 465   6 GLY A   258                                                      
REMARK 465   6 LYS A   259                                                      
REMARK 465   6 GLY A   260                                                      
REMARK 465   6 ASP A   261                                                      
REMARK 465   6 MET A   262                                                      
REMARK 465   6 ARG A   263                                                      
REMARK 465   6 LYS A   264                                                      
REMARK 465   6 MET B     1                                                      
REMARK 465   6 SER B     2                                                      
REMARK 465   6 ALA B     3                                                      
REMARK 465   6 GLU B     4                                                      
REMARK 465   6 VAL B     5                                                      
REMARK 465   6 GLU B     6                                                      
REMARK 465   6 THR B     7                                                      
REMARK 465   6 SER B     8                                                      
REMARK 465   6 GLU B     9                                                      
REMARK 465   6 GLY B    10                                                      
REMARK 465   6 VAL B    11                                                      
REMARK 465   6 ASP B    12                                                      
REMARK 465   6 GLU B    13                                                      
REMARK 465   6 SER B    14                                                      
REMARK 465   6 GLU B    15                                                      
REMARK 465   6 LYS B    16                                                      
REMARK 465   6 LYS B    17                                                      
REMARK 465   6 ASN B    18                                                      
REMARK 465   6 SER B    19                                                      
REMARK 465   6 GLY B    20                                                      
REMARK 465   6 ALA B    21                                                      
REMARK 465   6 LEU B    22                                                      
REMARK 465   6 GLU B    23                                                      
REMARK 465   6 LYS B    24                                                      
REMARK 465   6 GLU B    25                                                      
REMARK 465   6 ASN B    26                                                      
REMARK 465   6 GLN B    27                                                      
REMARK 465   6 MET B    28                                                      
REMARK 465   6 ARG B    29                                                      
REMARK 465   6 LEU B   249                                                      
REMARK 465   6 GLU B   250                                                      
REMARK 465   6 ASP B   251                                                      
REMARK 465   6 GLY B   252                                                      
REMARK 465   6 PHE B   253                                                      
REMARK 465   6 PRO B   254                                                      
REMARK 465   6 VAL B   255                                                      
REMARK 465   6 HIS B   256                                                      
REMARK 465   6 ASP B   257                                                      
REMARK 465   6 GLY B   258                                                      
REMARK 465   6 LYS B   259                                                      
REMARK 465   6 GLY B   260                                                      
REMARK 465   6 ASP B   261                                                      
REMARK 465   6 MET B   262                                                      
REMARK 465   6 ARG B   263                                                      
REMARK 465   6 LYS B   264                                                      
REMARK 465   7 MET A     1                                                      
REMARK 465   7 SER A     2                                                      
REMARK 465   7 ALA A     3                                                      
REMARK 465   7 GLU A     4                                                      
REMARK 465   7 VAL A     5                                                      
REMARK 465   7 GLU A     6                                                      
REMARK 465   7 THR A     7                                                      
REMARK 465   7 SER A     8                                                      
REMARK 465   7 GLU A     9                                                      
REMARK 465   7 GLY A    10                                                      
REMARK 465   7 VAL A    11                                                      
REMARK 465   7 ASP A    12                                                      
REMARK 465   7 GLU A    13                                                      
REMARK 465   7 SER A    14                                                      
REMARK 465   7 GLU A    15                                                      
REMARK 465   7 LYS A    16                                                      
REMARK 465   7 LYS A    17                                                      
REMARK 465   7 ASN A    18                                                      
REMARK 465   7 SER A    19                                                      
REMARK 465   7 GLY A    20                                                      
REMARK 465   7 ALA A    21                                                      
REMARK 465   7 LEU A    22                                                      
REMARK 465   7 GLU A    23                                                      
REMARK 465   7 LYS A    24                                                      
REMARK 465   7 GLU A    25                                                      
REMARK 465   7 ASN A    26                                                      
REMARK 465   7 GLN A    27                                                      
REMARK 465   7 MET A    28                                                      
REMARK 465   7 THR A   243                                                      
REMARK 465   7 LEU A   244                                                      
REMARK 465   7 ALA A   245                                                      
REMARK 465   7 ARG A   246                                                      
REMARK 465   7 GLU A   247                                                      
REMARK 465   7 THR A   248                                                      
REMARK 465   7 LEU A   249                                                      
REMARK 465   7 GLU A   250                                                      
REMARK 465   7 ASP A   251                                                      
REMARK 465   7 GLY A   252                                                      
REMARK 465   7 PHE A   253                                                      
REMARK 465   7 PRO A   254                                                      
REMARK 465   7 VAL A   255                                                      
REMARK 465   7 HIS A   256                                                      
REMARK 465   7 ASP A   257                                                      
REMARK 465   7 GLY A   258                                                      
REMARK 465   7 LYS A   259                                                      
REMARK 465   7 GLY A   260                                                      
REMARK 465   7 ASP A   261                                                      
REMARK 465   7 MET A   262                                                      
REMARK 465   7 ARG A   263                                                      
REMARK 465   7 LYS A   264                                                      
REMARK 465   7 MET B     1                                                      
REMARK 465   7 SER B     2                                                      
REMARK 465   7 ALA B     3                                                      
REMARK 465   7 GLU B     4                                                      
REMARK 465   7 VAL B     5                                                      
REMARK 465   7 GLU B     6                                                      
REMARK 465   7 THR B     7                                                      
REMARK 465   7 SER B     8                                                      
REMARK 465   7 GLU B     9                                                      
REMARK 465   7 GLY B    10                                                      
REMARK 465   7 VAL B    11                                                      
REMARK 465   7 ASP B    12                                                      
REMARK 465   7 GLU B    13                                                      
REMARK 465   7 SER B    14                                                      
REMARK 465   7 GLU B    15                                                      
REMARK 465   7 LYS B    16                                                      
REMARK 465   7 LYS B    17                                                      
REMARK 465   7 ASN B    18                                                      
REMARK 465   7 SER B    19                                                      
REMARK 465   7 GLY B    20                                                      
REMARK 465   7 ALA B    21                                                      
REMARK 465   7 LEU B    22                                                      
REMARK 465   7 GLU B    23                                                      
REMARK 465   7 LYS B    24                                                      
REMARK 465   7 GLU B    25                                                      
REMARK 465   7 ASN B    26                                                      
REMARK 465   7 GLN B    27                                                      
REMARK 465   7 MET B    28                                                      
REMARK 465   7 ARG B    29                                                      
REMARK 465   7 LEU B   249                                                      
REMARK 465   7 GLU B   250                                                      
REMARK 465   7 ASP B   251                                                      
REMARK 465   7 GLY B   252                                                      
REMARK 465   7 PHE B   253                                                      
REMARK 465   7 PRO B   254                                                      
REMARK 465   7 VAL B   255                                                      
REMARK 465   7 HIS B   256                                                      
REMARK 465   7 ASP B   257                                                      
REMARK 465   7 GLY B   258                                                      
REMARK 465   7 LYS B   259                                                      
REMARK 465   7 GLY B   260                                                      
REMARK 465   7 ASP B   261                                                      
REMARK 465   7 MET B   262                                                      
REMARK 465   7 ARG B   263                                                      
REMARK 465   7 LYS B   264                                                      
REMARK 465   8 MET A     1                                                      
REMARK 465   8 SER A     2                                                      
REMARK 465   8 ALA A     3                                                      
REMARK 465   8 GLU A     4                                                      
REMARK 465   8 VAL A     5                                                      
REMARK 465   8 GLU A     6                                                      
REMARK 465   8 THR A     7                                                      
REMARK 465   8 SER A     8                                                      
REMARK 465   8 GLU A     9                                                      
REMARK 465   8 GLY A    10                                                      
REMARK 465   8 VAL A    11                                                      
REMARK 465   8 ASP A    12                                                      
REMARK 465   8 GLU A    13                                                      
REMARK 465   8 SER A    14                                                      
REMARK 465   8 GLU A    15                                                      
REMARK 465   8 LYS A    16                                                      
REMARK 465   8 LYS A    17                                                      
REMARK 465   8 ASN A    18                                                      
REMARK 465   8 SER A    19                                                      
REMARK 465   8 GLY A    20                                                      
REMARK 465   8 ALA A    21                                                      
REMARK 465   8 LEU A    22                                                      
REMARK 465   8 GLU A    23                                                      
REMARK 465   8 LYS A    24                                                      
REMARK 465   8 GLU A    25                                                      
REMARK 465   8 ASN A    26                                                      
REMARK 465   8 GLN A    27                                                      
REMARK 465   8 MET A    28                                                      
REMARK 465   8 THR A   243                                                      
REMARK 465   8 LEU A   244                                                      
REMARK 465   8 ALA A   245                                                      
REMARK 465   8 ARG A   246                                                      
REMARK 465   8 GLU A   247                                                      
REMARK 465   8 THR A   248                                                      
REMARK 465   8 LEU A   249                                                      
REMARK 465   8 GLU A   250                                                      
REMARK 465   8 ASP A   251                                                      
REMARK 465   8 GLY A   252                                                      
REMARK 465   8 PHE A   253                                                      
REMARK 465   8 PRO A   254                                                      
REMARK 465   8 VAL A   255                                                      
REMARK 465   8 HIS A   256                                                      
REMARK 465   8 ASP A   257                                                      
REMARK 465   8 GLY A   258                                                      
REMARK 465   8 LYS A   259                                                      
REMARK 465   8 GLY A   260                                                      
REMARK 465   8 ASP A   261                                                      
REMARK 465   8 MET A   262                                                      
REMARK 465   8 ARG A   263                                                      
REMARK 465   8 LYS A   264                                                      
REMARK 465   8 MET B     1                                                      
REMARK 465   8 SER B     2                                                      
REMARK 465   8 ALA B     3                                                      
REMARK 465   8 GLU B     4                                                      
REMARK 465   8 VAL B     5                                                      
REMARK 465   8 GLU B     6                                                      
REMARK 465   8 THR B     7                                                      
REMARK 465   8 SER B     8                                                      
REMARK 465   8 GLU B     9                                                      
REMARK 465   8 GLY B    10                                                      
REMARK 465   8 VAL B    11                                                      
REMARK 465   8 ASP B    12                                                      
REMARK 465   8 GLU B    13                                                      
REMARK 465   8 SER B    14                                                      
REMARK 465   8 GLU B    15                                                      
REMARK 465   8 LYS B    16                                                      
REMARK 465   8 LYS B    17                                                      
REMARK 465   8 ASN B    18                                                      
REMARK 465   8 SER B    19                                                      
REMARK 465   8 GLY B    20                                                      
REMARK 465   8 ALA B    21                                                      
REMARK 465   8 LEU B    22                                                      
REMARK 465   8 GLU B    23                                                      
REMARK 465   8 LYS B    24                                                      
REMARK 465   8 GLU B    25                                                      
REMARK 465   8 ASN B    26                                                      
REMARK 465   8 GLN B    27                                                      
REMARK 465   8 MET B    28                                                      
REMARK 465   8 ARG B    29                                                      
REMARK 465   8 LEU B   249                                                      
REMARK 465   8 GLU B   250                                                      
REMARK 465   8 ASP B   251                                                      
REMARK 465   8 GLY B   252                                                      
REMARK 465   8 PHE B   253                                                      
REMARK 465   8 PRO B   254                                                      
REMARK 465   8 VAL B   255                                                      
REMARK 465   8 HIS B   256                                                      
REMARK 465   8 ASP B   257                                                      
REMARK 465   8 GLY B   258                                                      
REMARK 465   8 LYS B   259                                                      
REMARK 465   8 GLY B   260                                                      
REMARK 465   8 ASP B   261                                                      
REMARK 465   8 MET B   262                                                      
REMARK 465   8 ARG B   263                                                      
REMARK 465   8 LYS B   264                                                      
REMARK 465   9 MET A     1                                                      
REMARK 465   9 SER A     2                                                      
REMARK 465   9 ALA A     3                                                      
REMARK 465   9 GLU A     4                                                      
REMARK 465   9 VAL A     5                                                      
REMARK 465   9 GLU A     6                                                      
REMARK 465   9 THR A     7                                                      
REMARK 465   9 SER A     8                                                      
REMARK 465   9 GLU A     9                                                      
REMARK 465   9 GLY A    10                                                      
REMARK 465   9 VAL A    11                                                      
REMARK 465   9 ASP A    12                                                      
REMARK 465   9 GLU A    13                                                      
REMARK 465   9 SER A    14                                                      
REMARK 465   9 GLU A    15                                                      
REMARK 465   9 LYS A    16                                                      
REMARK 465   9 LYS A    17                                                      
REMARK 465   9 ASN A    18                                                      
REMARK 465   9 SER A    19                                                      
REMARK 465   9 GLY A    20                                                      
REMARK 465   9 ALA A    21                                                      
REMARK 465   9 LEU A    22                                                      
REMARK 465   9 GLU A    23                                                      
REMARK 465   9 LYS A    24                                                      
REMARK 465   9 GLU A    25                                                      
REMARK 465   9 ASN A    26                                                      
REMARK 465   9 GLN A    27                                                      
REMARK 465   9 MET A    28                                                      
REMARK 465   9 THR A   243                                                      
REMARK 465   9 LEU A   244                                                      
REMARK 465   9 ALA A   245                                                      
REMARK 465   9 ARG A   246                                                      
REMARK 465   9 GLU A   247                                                      
REMARK 465   9 THR A   248                                                      
REMARK 465   9 LEU A   249                                                      
REMARK 465   9 GLU A   250                                                      
REMARK 465   9 ASP A   251                                                      
REMARK 465   9 GLY A   252                                                      
REMARK 465   9 PHE A   253                                                      
REMARK 465   9 PRO A   254                                                      
REMARK 465   9 VAL A   255                                                      
REMARK 465   9 HIS A   256                                                      
REMARK 465   9 ASP A   257                                                      
REMARK 465   9 GLY A   258                                                      
REMARK 465   9 LYS A   259                                                      
REMARK 465   9 GLY A   260                                                      
REMARK 465   9 ASP A   261                                                      
REMARK 465   9 MET A   262                                                      
REMARK 465   9 ARG A   263                                                      
REMARK 465   9 LYS A   264                                                      
REMARK 465   9 MET B     1                                                      
REMARK 465   9 SER B     2                                                      
REMARK 465   9 ALA B     3                                                      
REMARK 465   9 GLU B     4                                                      
REMARK 465   9 VAL B     5                                                      
REMARK 465   9 GLU B     6                                                      
REMARK 465   9 THR B     7                                                      
REMARK 465   9 SER B     8                                                      
REMARK 465   9 GLU B     9                                                      
REMARK 465   9 GLY B    10                                                      
REMARK 465   9 VAL B    11                                                      
REMARK 465   9 ASP B    12                                                      
REMARK 465   9 GLU B    13                                                      
REMARK 465   9 SER B    14                                                      
REMARK 465   9 GLU B    15                                                      
REMARK 465   9 LYS B    16                                                      
REMARK 465   9 LYS B    17                                                      
REMARK 465   9 ASN B    18                                                      
REMARK 465   9 SER B    19                                                      
REMARK 465   9 GLY B    20                                                      
REMARK 465   9 ALA B    21                                                      
REMARK 465   9 LEU B    22                                                      
REMARK 465   9 GLU B    23                                                      
REMARK 465   9 LYS B    24                                                      
REMARK 465   9 GLU B    25                                                      
REMARK 465   9 ASN B    26                                                      
REMARK 465   9 GLN B    27                                                      
REMARK 465   9 MET B    28                                                      
REMARK 465   9 ARG B    29                                                      
REMARK 465   9 LEU B   249                                                      
REMARK 465   9 GLU B   250                                                      
REMARK 465   9 ASP B   251                                                      
REMARK 465   9 GLY B   252                                                      
REMARK 465   9 PHE B   253                                                      
REMARK 465   9 PRO B   254                                                      
REMARK 465   9 VAL B   255                                                      
REMARK 465   9 HIS B   256                                                      
REMARK 465   9 ASP B   257                                                      
REMARK 465   9 GLY B   258                                                      
REMARK 465   9 LYS B   259                                                      
REMARK 465   9 GLY B   260                                                      
REMARK 465   9 ASP B   261                                                      
REMARK 465   9 MET B   262                                                      
REMARK 465   9 ARG B   263                                                      
REMARK 465   9 LYS B   264                                                      
REMARK 465  10 MET A     1                                                      
REMARK 465  10 SER A     2                                                      
REMARK 465  10 ALA A     3                                                      
REMARK 465  10 GLU A     4                                                      
REMARK 465  10 VAL A     5                                                      
REMARK 465  10 GLU A     6                                                      
REMARK 465  10 THR A     7                                                      
REMARK 465  10 SER A     8                                                      
REMARK 465  10 GLU A     9                                                      
REMARK 465  10 GLY A    10                                                      
REMARK 465  10 VAL A    11                                                      
REMARK 465  10 ASP A    12                                                      
REMARK 465  10 GLU A    13                                                      
REMARK 465  10 SER A    14                                                      
REMARK 465  10 GLU A    15                                                      
REMARK 465  10 LYS A    16                                                      
REMARK 465  10 LYS A    17                                                      
REMARK 465  10 ASN A    18                                                      
REMARK 465  10 SER A    19                                                      
REMARK 465  10 GLY A    20                                                      
REMARK 465  10 ALA A    21                                                      
REMARK 465  10 LEU A    22                                                      
REMARK 465  10 GLU A    23                                                      
REMARK 465  10 LYS A    24                                                      
REMARK 465  10 GLU A    25                                                      
REMARK 465  10 ASN A    26                                                      
REMARK 465  10 GLN A    27                                                      
REMARK 465  10 MET A    28                                                      
REMARK 465  10 THR A   243                                                      
REMARK 465  10 LEU A   244                                                      
REMARK 465  10 ALA A   245                                                      
REMARK 465  10 ARG A   246                                                      
REMARK 465  10 GLU A   247                                                      
REMARK 465  10 THR A   248                                                      
REMARK 465  10 LEU A   249                                                      
REMARK 465  10 GLU A   250                                                      
REMARK 465  10 ASP A   251                                                      
REMARK 465  10 GLY A   252                                                      
REMARK 465  10 PHE A   253                                                      
REMARK 465  10 PRO A   254                                                      
REMARK 465  10 VAL A   255                                                      
REMARK 465  10 HIS A   256                                                      
REMARK 465  10 ASP A   257                                                      
REMARK 465  10 GLY A   258                                                      
REMARK 465  10 LYS A   259                                                      
REMARK 465  10 GLY A   260                                                      
REMARK 465  10 ASP A   261                                                      
REMARK 465  10 MET A   262                                                      
REMARK 465  10 ARG A   263                                                      
REMARK 465  10 LYS A   264                                                      
REMARK 465  10 MET B     1                                                      
REMARK 465  10 SER B     2                                                      
REMARK 465  10 ALA B     3                                                      
REMARK 465  10 GLU B     4                                                      
REMARK 465  10 VAL B     5                                                      
REMARK 465  10 GLU B     6                                                      
REMARK 465  10 THR B     7                                                      
REMARK 465  10 SER B     8                                                      
REMARK 465  10 GLU B     9                                                      
REMARK 465  10 GLY B    10                                                      
REMARK 465  10 VAL B    11                                                      
REMARK 465  10 ASP B    12                                                      
REMARK 465  10 GLU B    13                                                      
REMARK 465  10 SER B    14                                                      
REMARK 465  10 GLU B    15                                                      
REMARK 465  10 LYS B    16                                                      
REMARK 465  10 LYS B    17                                                      
REMARK 465  10 ASN B    18                                                      
REMARK 465  10 SER B    19                                                      
REMARK 465  10 GLY B    20                                                      
REMARK 465  10 ALA B    21                                                      
REMARK 465  10 LEU B    22                                                      
REMARK 465  10 GLU B    23                                                      
REMARK 465  10 LYS B    24                                                      
REMARK 465  10 GLU B    25                                                      
REMARK 465  10 ASN B    26                                                      
REMARK 465  10 GLN B    27                                                      
REMARK 465  10 MET B    28                                                      
REMARK 465  10 ARG B    29                                                      
REMARK 465  10 LEU B   249                                                      
REMARK 465  10 GLU B   250                                                      
REMARK 465  10 ASP B   251                                                      
REMARK 465  10 GLY B   252                                                      
REMARK 465  10 PHE B   253                                                      
REMARK 465  10 PRO B   254                                                      
REMARK 465  10 VAL B   255                                                      
REMARK 465  10 HIS B   256                                                      
REMARK 465  10 ASP B   257                                                      
REMARK 465  10 GLY B   258                                                      
REMARK 465  10 LYS B   259                                                      
REMARK 465  10 GLY B   260                                                      
REMARK 465  10 ASP B   261                                                      
REMARK 465  10 MET B   262                                                      
REMARK 465  10 ARG B   263                                                      
REMARK 465  10 LYS B   264                                                      
REMARK 465  11 MET A     1                                                      
REMARK 465  11 SER A     2                                                      
REMARK 465  11 ALA A     3                                                      
REMARK 465  11 GLU A     4                                                      
REMARK 465  11 VAL A     5                                                      
REMARK 465  11 GLU A     6                                                      
REMARK 465  11 THR A     7                                                      
REMARK 465  11 SER A     8                                                      
REMARK 465  11 GLU A     9                                                      
REMARK 465  11 GLY A    10                                                      
REMARK 465  11 VAL A    11                                                      
REMARK 465  11 ASP A    12                                                      
REMARK 465  11 GLU A    13                                                      
REMARK 465  11 SER A    14                                                      
REMARK 465  11 GLU A    15                                                      
REMARK 465  11 LYS A    16                                                      
REMARK 465  11 LYS A    17                                                      
REMARK 465  11 ASN A    18                                                      
REMARK 465  11 SER A    19                                                      
REMARK 465  11 GLY A    20                                                      
REMARK 465  11 ALA A    21                                                      
REMARK 465  11 LEU A    22                                                      
REMARK 465  11 GLU A    23                                                      
REMARK 465  11 LYS A    24                                                      
REMARK 465  11 GLU A    25                                                      
REMARK 465  11 ASN A    26                                                      
REMARK 465  11 GLN A    27                                                      
REMARK 465  11 MET A    28                                                      
REMARK 465  11 THR A   243                                                      
REMARK 465  11 LEU A   244                                                      
REMARK 465  11 ALA A   245                                                      
REMARK 465  11 ARG A   246                                                      
REMARK 465  11 GLU A   247                                                      
REMARK 465  11 THR A   248                                                      
REMARK 465  11 LEU A   249                                                      
REMARK 465  11 GLU A   250                                                      
REMARK 465  11 ASP A   251                                                      
REMARK 465  11 GLY A   252                                                      
REMARK 465  11 PHE A   253                                                      
REMARK 465  11 PRO A   254                                                      
REMARK 465  11 VAL A   255                                                      
REMARK 465  11 HIS A   256                                                      
REMARK 465  11 ASP A   257                                                      
REMARK 465  11 GLY A   258                                                      
REMARK 465  11 LYS A   259                                                      
REMARK 465  11 GLY A   260                                                      
REMARK 465  11 ASP A   261                                                      
REMARK 465  11 MET A   262                                                      
REMARK 465  11 ARG A   263                                                      
REMARK 465  11 LYS A   264                                                      
REMARK 465  11 MET B     1                                                      
REMARK 465  11 SER B     2                                                      
REMARK 465  11 ALA B     3                                                      
REMARK 465  11 GLU B     4                                                      
REMARK 465  11 VAL B     5                                                      
REMARK 465  11 GLU B     6                                                      
REMARK 465  11 THR B     7                                                      
REMARK 465  11 SER B     8                                                      
REMARK 465  11 GLU B     9                                                      
REMARK 465  11 GLY B    10                                                      
REMARK 465  11 VAL B    11                                                      
REMARK 465  11 ASP B    12                                                      
REMARK 465  11 GLU B    13                                                      
REMARK 465  11 SER B    14                                                      
REMARK 465  11 GLU B    15                                                      
REMARK 465  11 LYS B    16                                                      
REMARK 465  11 LYS B    17                                                      
REMARK 465  11 ASN B    18                                                      
REMARK 465  11 SER B    19                                                      
REMARK 465  11 GLY B    20                                                      
REMARK 465  11 ALA B    21                                                      
REMARK 465  11 LEU B    22                                                      
REMARK 465  11 GLU B    23                                                      
REMARK 465  11 LYS B    24                                                      
REMARK 465  11 GLU B    25                                                      
REMARK 465  11 ASN B    26                                                      
REMARK 465  11 GLN B    27                                                      
REMARK 465  11 MET B    28                                                      
REMARK 465  11 ARG B    29                                                      
REMARK 465  11 LEU B   249                                                      
REMARK 465  11 GLU B   250                                                      
REMARK 465  11 ASP B   251                                                      
REMARK 465  11 GLY B   252                                                      
REMARK 465  11 PHE B   253                                                      
REMARK 465  11 PRO B   254                                                      
REMARK 465  11 VAL B   255                                                      
REMARK 465  11 HIS B   256                                                      
REMARK 465  11 ASP B   257                                                      
REMARK 465  11 GLY B   258                                                      
REMARK 465  11 LYS B   259                                                      
REMARK 465  11 GLY B   260                                                      
REMARK 465  11 ASP B   261                                                      
REMARK 465  11 MET B   262                                                      
REMARK 465  11 ARG B   263                                                      
REMARK 465  11 LYS B   264                                                      
REMARK 465  12 MET A     1                                                      
REMARK 465  12 SER A     2                                                      
REMARK 465  12 ALA A     3                                                      
REMARK 465  12 GLU A     4                                                      
REMARK 465  12 VAL A     5                                                      
REMARK 465  12 GLU A     6                                                      
REMARK 465  12 THR A     7                                                      
REMARK 465  12 SER A     8                                                      
REMARK 465  12 GLU A     9                                                      
REMARK 465  12 GLY A    10                                                      
REMARK 465  12 VAL A    11                                                      
REMARK 465  12 ASP A    12                                                      
REMARK 465  12 GLU A    13                                                      
REMARK 465  12 SER A    14                                                      
REMARK 465  12 GLU A    15                                                      
REMARK 465  12 LYS A    16                                                      
REMARK 465  12 LYS A    17                                                      
REMARK 465  12 ASN A    18                                                      
REMARK 465  12 SER A    19                                                      
REMARK 465  12 GLY A    20                                                      
REMARK 465  12 ALA A    21                                                      
REMARK 465  12 LEU A    22                                                      
REMARK 465  12 GLU A    23                                                      
REMARK 465  12 LYS A    24                                                      
REMARK 465  12 GLU A    25                                                      
REMARK 465  12 ASN A    26                                                      
REMARK 465  12 GLN A    27                                                      
REMARK 465  12 MET A    28                                                      
REMARK 465  12 THR A   243                                                      
REMARK 465  12 LEU A   244                                                      
REMARK 465  12 ALA A   245                                                      
REMARK 465  12 ARG A   246                                                      
REMARK 465  12 GLU A   247                                                      
REMARK 465  12 THR A   248                                                      
REMARK 465  12 LEU A   249                                                      
REMARK 465  12 GLU A   250                                                      
REMARK 465  12 ASP A   251                                                      
REMARK 465  12 GLY A   252                                                      
REMARK 465  12 PHE A   253                                                      
REMARK 465  12 PRO A   254                                                      
REMARK 465  12 VAL A   255                                                      
REMARK 465  12 HIS A   256                                                      
REMARK 465  12 ASP A   257                                                      
REMARK 465  12 GLY A   258                                                      
REMARK 465  12 LYS A   259                                                      
REMARK 465  12 GLY A   260                                                      
REMARK 465  12 ASP A   261                                                      
REMARK 465  12 MET A   262                                                      
REMARK 465  12 ARG A   263                                                      
REMARK 465  12 LYS A   264                                                      
REMARK 465  12 MET B     1                                                      
REMARK 465  12 SER B     2                                                      
REMARK 465  12 ALA B     3                                                      
REMARK 465  12 GLU B     4                                                      
REMARK 465  12 VAL B     5                                                      
REMARK 465  12 GLU B     6                                                      
REMARK 465  12 THR B     7                                                      
REMARK 465  12 SER B     8                                                      
REMARK 465  12 GLU B     9                                                      
REMARK 465  12 GLY B    10                                                      
REMARK 465  12 VAL B    11                                                      
REMARK 465  12 ASP B    12                                                      
REMARK 465  12 GLU B    13                                                      
REMARK 465  12 SER B    14                                                      
REMARK 465  12 GLU B    15                                                      
REMARK 465  12 LYS B    16                                                      
REMARK 465  12 LYS B    17                                                      
REMARK 465  12 ASN B    18                                                      
REMARK 465  12 SER B    19                                                      
REMARK 465  12 GLY B    20                                                      
REMARK 465  12 ALA B    21                                                      
REMARK 465  12 LEU B    22                                                      
REMARK 465  12 GLU B    23                                                      
REMARK 465  12 LYS B    24                                                      
REMARK 465  12 GLU B    25                                                      
REMARK 465  12 ASN B    26                                                      
REMARK 465  12 GLN B    27                                                      
REMARK 465  12 MET B    28                                                      
REMARK 465  12 ARG B    29                                                      
REMARK 465  12 LEU B   249                                                      
REMARK 465  12 GLU B   250                                                      
REMARK 465  12 ASP B   251                                                      
REMARK 465  12 GLY B   252                                                      
REMARK 465  12 PHE B   253                                                      
REMARK 465  12 PRO B   254                                                      
REMARK 465  12 VAL B   255                                                      
REMARK 465  12 HIS B   256                                                      
REMARK 465  12 ASP B   257                                                      
REMARK 465  12 GLY B   258                                                      
REMARK 465  12 LYS B   259                                                      
REMARK 465  12 GLY B   260                                                      
REMARK 465  12 ASP B   261                                                      
REMARK 465  12 MET B   262                                                      
REMARK 465  12 ARG B   263                                                      
REMARK 465  12 LYS B   264                                                      
REMARK 465  13 MET A     1                                                      
REMARK 465  13 SER A     2                                                      
REMARK 465  13 ALA A     3                                                      
REMARK 465  13 GLU A     4                                                      
REMARK 465  13 VAL A     5                                                      
REMARK 465  13 GLU A     6                                                      
REMARK 465  13 THR A     7                                                      
REMARK 465  13 SER A     8                                                      
REMARK 465  13 GLU A     9                                                      
REMARK 465  13 GLY A    10                                                      
REMARK 465  13 VAL A    11                                                      
REMARK 465  13 ASP A    12                                                      
REMARK 465  13 GLU A    13                                                      
REMARK 465  13 SER A    14                                                      
REMARK 465  13 GLU A    15                                                      
REMARK 465  13 LYS A    16                                                      
REMARK 465  13 LYS A    17                                                      
REMARK 465  13 ASN A    18                                                      
REMARK 465  13 SER A    19                                                      
REMARK 465  13 GLY A    20                                                      
REMARK 465  13 ALA A    21                                                      
REMARK 465  13 LEU A    22                                                      
REMARK 465  13 GLU A    23                                                      
REMARK 465  13 LYS A    24                                                      
REMARK 465  13 GLU A    25                                                      
REMARK 465  13 ASN A    26                                                      
REMARK 465  13 GLN A    27                                                      
REMARK 465  13 MET A    28                                                      
REMARK 465  13 THR A   243                                                      
REMARK 465  13 LEU A   244                                                      
REMARK 465  13 ALA A   245                                                      
REMARK 465  13 ARG A   246                                                      
REMARK 465  13 GLU A   247                                                      
REMARK 465  13 THR A   248                                                      
REMARK 465  13 LEU A   249                                                      
REMARK 465  13 GLU A   250                                                      
REMARK 465  13 ASP A   251                                                      
REMARK 465  13 GLY A   252                                                      
REMARK 465  13 PHE A   253                                                      
REMARK 465  13 PRO A   254                                                      
REMARK 465  13 VAL A   255                                                      
REMARK 465  13 HIS A   256                                                      
REMARK 465  13 ASP A   257                                                      
REMARK 465  13 GLY A   258                                                      
REMARK 465  13 LYS A   259                                                      
REMARK 465  13 GLY A   260                                                      
REMARK 465  13 ASP A   261                                                      
REMARK 465  13 MET A   262                                                      
REMARK 465  13 ARG A   263                                                      
REMARK 465  13 LYS A   264                                                      
REMARK 465  13 MET B     1                                                      
REMARK 465  13 SER B     2                                                      
REMARK 465  13 ALA B     3                                                      
REMARK 465  13 GLU B     4                                                      
REMARK 465  13 VAL B     5                                                      
REMARK 465  13 GLU B     6                                                      
REMARK 465  13 THR B     7                                                      
REMARK 465  13 SER B     8                                                      
REMARK 465  13 GLU B     9                                                      
REMARK 465  13 GLY B    10                                                      
REMARK 465  13 VAL B    11                                                      
REMARK 465  13 ASP B    12                                                      
REMARK 465  13 GLU B    13                                                      
REMARK 465  13 SER B    14                                                      
REMARK 465  13 GLU B    15                                                      
REMARK 465  13 LYS B    16                                                      
REMARK 465  13 LYS B    17                                                      
REMARK 465  13 ASN B    18                                                      
REMARK 465  13 SER B    19                                                      
REMARK 465  13 GLY B    20                                                      
REMARK 465  13 ALA B    21                                                      
REMARK 465  13 LEU B    22                                                      
REMARK 465  13 GLU B    23                                                      
REMARK 465  13 LYS B    24                                                      
REMARK 465  13 GLU B    25                                                      
REMARK 465  13 ASN B    26                                                      
REMARK 465  13 GLN B    27                                                      
REMARK 465  13 MET B    28                                                      
REMARK 465  13 ARG B    29                                                      
REMARK 465  13 LEU B   249                                                      
REMARK 465  13 GLU B   250                                                      
REMARK 465  13 ASP B   251                                                      
REMARK 465  13 GLY B   252                                                      
REMARK 465  13 PHE B   253                                                      
REMARK 465  13 PRO B   254                                                      
REMARK 465  13 VAL B   255                                                      
REMARK 465  13 HIS B   256                                                      
REMARK 465  13 ASP B   257                                                      
REMARK 465  13 GLY B   258                                                      
REMARK 465  13 LYS B   259                                                      
REMARK 465  13 GLY B   260                                                      
REMARK 465  13 ASP B   261                                                      
REMARK 465  13 MET B   262                                                      
REMARK 465  13 ARG B   263                                                      
REMARK 465  13 LYS B   264                                                      
REMARK 465  14 MET A     1                                                      
REMARK 465  14 SER A     2                                                      
REMARK 465  14 ALA A     3                                                      
REMARK 465  14 GLU A     4                                                      
REMARK 465  14 VAL A     5                                                      
REMARK 465  14 GLU A     6                                                      
REMARK 465  14 THR A     7                                                      
REMARK 465  14 SER A     8                                                      
REMARK 465  14 GLU A     9                                                      
REMARK 465  14 GLY A    10                                                      
REMARK 465  14 VAL A    11                                                      
REMARK 465  14 ASP A    12                                                      
REMARK 465  14 GLU A    13                                                      
REMARK 465  14 SER A    14                                                      
REMARK 465  14 GLU A    15                                                      
REMARK 465  14 LYS A    16                                                      
REMARK 465  14 LYS A    17                                                      
REMARK 465  14 ASN A    18                                                      
REMARK 465  14 SER A    19                                                      
REMARK 465  14 GLY A    20                                                      
REMARK 465  14 ALA A    21                                                      
REMARK 465  14 LEU A    22                                                      
REMARK 465  14 GLU A    23                                                      
REMARK 465  14 LYS A    24                                                      
REMARK 465  14 GLU A    25                                                      
REMARK 465  14 ASN A    26                                                      
REMARK 465  14 GLN A    27                                                      
REMARK 465  14 MET A    28                                                      
REMARK 465  14 THR A   243                                                      
REMARK 465  14 LEU A   244                                                      
REMARK 465  14 ALA A   245                                                      
REMARK 465  14 ARG A   246                                                      
REMARK 465  14 GLU A   247                                                      
REMARK 465  14 THR A   248                                                      
REMARK 465  14 LEU A   249                                                      
REMARK 465  14 GLU A   250                                                      
REMARK 465  14 ASP A   251                                                      
REMARK 465  14 GLY A   252                                                      
REMARK 465  14 PHE A   253                                                      
REMARK 465  14 PRO A   254                                                      
REMARK 465  14 VAL A   255                                                      
REMARK 465  14 HIS A   256                                                      
REMARK 465  14 ASP A   257                                                      
REMARK 465  14 GLY A   258                                                      
REMARK 465  14 LYS A   259                                                      
REMARK 465  14 GLY A   260                                                      
REMARK 465  14 ASP A   261                                                      
REMARK 465  14 MET A   262                                                      
REMARK 465  14 ARG A   263                                                      
REMARK 465  14 LYS A   264                                                      
REMARK 465  14 MET B     1                                                      
REMARK 465  14 SER B     2                                                      
REMARK 465  14 ALA B     3                                                      
REMARK 465  14 GLU B     4                                                      
REMARK 465  14 VAL B     5                                                      
REMARK 465  14 GLU B     6                                                      
REMARK 465  14 THR B     7                                                      
REMARK 465  14 SER B     8                                                      
REMARK 465  14 GLU B     9                                                      
REMARK 465  14 GLY B    10                                                      
REMARK 465  14 VAL B    11                                                      
REMARK 465  14 ASP B    12                                                      
REMARK 465  14 GLU B    13                                                      
REMARK 465  14 SER B    14                                                      
REMARK 465  14 GLU B    15                                                      
REMARK 465  14 LYS B    16                                                      
REMARK 465  14 LYS B    17                                                      
REMARK 465  14 ASN B    18                                                      
REMARK 465  14 SER B    19                                                      
REMARK 465  14 GLY B    20                                                      
REMARK 465  14 ALA B    21                                                      
REMARK 465  14 LEU B    22                                                      
REMARK 465  14 GLU B    23                                                      
REMARK 465  14 LYS B    24                                                      
REMARK 465  14 GLU B    25                                                      
REMARK 465  14 ASN B    26                                                      
REMARK 465  14 GLN B    27                                                      
REMARK 465  14 MET B    28                                                      
REMARK 465  14 ARG B    29                                                      
REMARK 465  14 LEU B   249                                                      
REMARK 465  14 GLU B   250                                                      
REMARK 465  14 ASP B   251                                                      
REMARK 465  14 GLY B   252                                                      
REMARK 465  14 PHE B   253                                                      
REMARK 465  14 PRO B   254                                                      
REMARK 465  14 VAL B   255                                                      
REMARK 465  14 HIS B   256                                                      
REMARK 465  14 ASP B   257                                                      
REMARK 465  14 GLY B   258                                                      
REMARK 465  14 LYS B   259                                                      
REMARK 465  14 GLY B   260                                                      
REMARK 465  14 ASP B   261                                                      
REMARK 465  14 MET B   262                                                      
REMARK 465  14 ARG B   263                                                      
REMARK 465  14 LYS B   264                                                      
REMARK 465  15 MET A     1                                                      
REMARK 465  15 SER A     2                                                      
REMARK 465  15 ALA A     3                                                      
REMARK 465  15 GLU A     4                                                      
REMARK 465  15 VAL A     5                                                      
REMARK 465  15 GLU A     6                                                      
REMARK 465  15 THR A     7                                                      
REMARK 465  15 SER A     8                                                      
REMARK 465  15 GLU A     9                                                      
REMARK 465  15 GLY A    10                                                      
REMARK 465  15 VAL A    11                                                      
REMARK 465  15 ASP A    12                                                      
REMARK 465  15 GLU A    13                                                      
REMARK 465  15 SER A    14                                                      
REMARK 465  15 GLU A    15                                                      
REMARK 465  15 LYS A    16                                                      
REMARK 465  15 LYS A    17                                                      
REMARK 465  15 ASN A    18                                                      
REMARK 465  15 SER A    19                                                      
REMARK 465  15 GLY A    20                                                      
REMARK 465  15 ALA A    21                                                      
REMARK 465  15 LEU A    22                                                      
REMARK 465  15 GLU A    23                                                      
REMARK 465  15 LYS A    24                                                      
REMARK 465  15 GLU A    25                                                      
REMARK 465  15 ASN A    26                                                      
REMARK 465  15 GLN A    27                                                      
REMARK 465  15 MET A    28                                                      
REMARK 465  15 THR A   243                                                      
REMARK 465  15 LEU A   244                                                      
REMARK 465  15 ALA A   245                                                      
REMARK 465  15 ARG A   246                                                      
REMARK 465  15 GLU A   247                                                      
REMARK 465  15 THR A   248                                                      
REMARK 465  15 LEU A   249                                                      
REMARK 465  15 GLU A   250                                                      
REMARK 465  15 ASP A   251                                                      
REMARK 465  15 GLY A   252                                                      
REMARK 465  15 PHE A   253                                                      
REMARK 465  15 PRO A   254                                                      
REMARK 465  15 VAL A   255                                                      
REMARK 465  15 HIS A   256                                                      
REMARK 465  15 ASP A   257                                                      
REMARK 465  15 GLY A   258                                                      
REMARK 465  15 LYS A   259                                                      
REMARK 465  15 GLY A   260                                                      
REMARK 465  15 ASP A   261                                                      
REMARK 465  15 MET A   262                                                      
REMARK 465  15 ARG A   263                                                      
REMARK 465  15 LYS A   264                                                      
REMARK 465  15 MET B     1                                                      
REMARK 465  15 SER B     2                                                      
REMARK 465  15 ALA B     3                                                      
REMARK 465  15 GLU B     4                                                      
REMARK 465  15 VAL B     5                                                      
REMARK 465  15 GLU B     6                                                      
REMARK 465  15 THR B     7                                                      
REMARK 465  15 SER B     8                                                      
REMARK 465  15 GLU B     9                                                      
REMARK 465  15 GLY B    10                                                      
REMARK 465  15 VAL B    11                                                      
REMARK 465  15 ASP B    12                                                      
REMARK 465  15 GLU B    13                                                      
REMARK 465  15 SER B    14                                                      
REMARK 465  15 GLU B    15                                                      
REMARK 465  15 LYS B    16                                                      
REMARK 465  15 LYS B    17                                                      
REMARK 465  15 ASN B    18                                                      
REMARK 465  15 SER B    19                                                      
REMARK 465  15 GLY B    20                                                      
REMARK 465  15 ALA B    21                                                      
REMARK 465  15 LEU B    22                                                      
REMARK 465  15 GLU B    23                                                      
REMARK 465  15 LYS B    24                                                      
REMARK 465  15 GLU B    25                                                      
REMARK 465  15 ASN B    26                                                      
REMARK 465  15 GLN B    27                                                      
REMARK 465  15 MET B    28                                                      
REMARK 465  15 ARG B    29                                                      
REMARK 465  15 LEU B   249                                                      
REMARK 465  15 GLU B   250                                                      
REMARK 465  15 ASP B   251                                                      
REMARK 465  15 GLY B   252                                                      
REMARK 465  15 PHE B   253                                                      
REMARK 465  15 PRO B   254                                                      
REMARK 465  15 VAL B   255                                                      
REMARK 465  15 HIS B   256                                                      
REMARK 465  15 ASP B   257                                                      
REMARK 465  15 GLY B   258                                                      
REMARK 465  15 LYS B   259                                                      
REMARK 465  15 GLY B   260                                                      
REMARK 465  15 ASP B   261                                                      
REMARK 465  15 MET B   262                                                      
REMARK 465  15 ARG B   263                                                      
REMARK 465  15 LYS B   264                                                      
REMARK 465  16 MET A     1                                                      
REMARK 465  16 SER A     2                                                      
REMARK 465  16 ALA A     3                                                      
REMARK 465  16 GLU A     4                                                      
REMARK 465  16 VAL A     5                                                      
REMARK 465  16 GLU A     6                                                      
REMARK 465  16 THR A     7                                                      
REMARK 465  16 SER A     8                                                      
REMARK 465  16 GLU A     9                                                      
REMARK 465  16 GLY A    10                                                      
REMARK 465  16 VAL A    11                                                      
REMARK 465  16 ASP A    12                                                      
REMARK 465  16 GLU A    13                                                      
REMARK 465  16 SER A    14                                                      
REMARK 465  16 GLU A    15                                                      
REMARK 465  16 LYS A    16                                                      
REMARK 465  16 LYS A    17                                                      
REMARK 465  16 ASN A    18                                                      
REMARK 465  16 SER A    19                                                      
REMARK 465  16 GLY A    20                                                      
REMARK 465  16 ALA A    21                                                      
REMARK 465  16 LEU A    22                                                      
REMARK 465  16 GLU A    23                                                      
REMARK 465  16 LYS A    24                                                      
REMARK 465  16 GLU A    25                                                      
REMARK 465  16 ASN A    26                                                      
REMARK 465  16 GLN A    27                                                      
REMARK 465  16 MET A    28                                                      
REMARK 465  16 THR A   243                                                      
REMARK 465  16 LEU A   244                                                      
REMARK 465  16 ALA A   245                                                      
REMARK 465  16 ARG A   246                                                      
REMARK 465  16 GLU A   247                                                      
REMARK 465  16 THR A   248                                                      
REMARK 465  16 LEU A   249                                                      
REMARK 465  16 GLU A   250                                                      
REMARK 465  16 ASP A   251                                                      
REMARK 465  16 GLY A   252                                                      
REMARK 465  16 PHE A   253                                                      
REMARK 465  16 PRO A   254                                                      
REMARK 465  16 VAL A   255                                                      
REMARK 465  16 HIS A   256                                                      
REMARK 465  16 ASP A   257                                                      
REMARK 465  16 GLY A   258                                                      
REMARK 465  16 LYS A   259                                                      
REMARK 465  16 GLY A   260                                                      
REMARK 465  16 ASP A   261                                                      
REMARK 465  16 MET A   262                                                      
REMARK 465  16 ARG A   263                                                      
REMARK 465  16 LYS A   264                                                      
REMARK 465  16 MET B     1                                                      
REMARK 465  16 SER B     2                                                      
REMARK 465  16 ALA B     3                                                      
REMARK 465  16 GLU B     4                                                      
REMARK 465  16 VAL B     5                                                      
REMARK 465  16 GLU B     6                                                      
REMARK 465  16 THR B     7                                                      
REMARK 465  16 SER B     8                                                      
REMARK 465  16 GLU B     9                                                      
REMARK 465  16 GLY B    10                                                      
REMARK 465  16 VAL B    11                                                      
REMARK 465  16 ASP B    12                                                      
REMARK 465  16 GLU B    13                                                      
REMARK 465  16 SER B    14                                                      
REMARK 465  16 GLU B    15                                                      
REMARK 465  16 LYS B    16                                                      
REMARK 465  16 LYS B    17                                                      
REMARK 465  16 ASN B    18                                                      
REMARK 465  16 SER B    19                                                      
REMARK 465  16 GLY B    20                                                      
REMARK 465  16 ALA B    21                                                      
REMARK 465  16 LEU B    22                                                      
REMARK 465  16 GLU B    23                                                      
REMARK 465  16 LYS B    24                                                      
REMARK 465  16 GLU B    25                                                      
REMARK 465  16 ASN B    26                                                      
REMARK 465  16 GLN B    27                                                      
REMARK 465  16 MET B    28                                                      
REMARK 465  16 ARG B    29                                                      
REMARK 465  16 LEU B   249                                                      
REMARK 465  16 GLU B   250                                                      
REMARK 465  16 ASP B   251                                                      
REMARK 465  16 GLY B   252                                                      
REMARK 465  16 PHE B   253                                                      
REMARK 465  16 PRO B   254                                                      
REMARK 465  16 VAL B   255                                                      
REMARK 465  16 HIS B   256                                                      
REMARK 465  16 ASP B   257                                                      
REMARK 465  16 GLY B   258                                                      
REMARK 465  16 LYS B   259                                                      
REMARK 465  16 GLY B   260                                                      
REMARK 465  16 ASP B   261                                                      
REMARK 465  16 MET B   262                                                      
REMARK 465  16 ARG B   263                                                      
REMARK 465  16 LYS B   264                                                      
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 13 PRO A 128   C   -  N   -  CA  ANGL. DEV. =   9.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 MET A  30       22.05    -76.95                                   
REMARK 500  1 LYS A  63     -167.72    -79.69                                   
REMARK 500  1 TYR A  75      -70.82    -45.54                                   
REMARK 500  1 PHE A  76      -79.02    -37.87                                   
REMARK 500  1 LYS A  89      -19.29    -46.28                                   
REMARK 500  1 PHE A  94      -19.72   -150.01                                   
REMARK 500  1 PHE A  99       46.51   -155.46                                   
REMARK 500  1 HIS A 104      130.22    -23.07                                   
REMARK 500  1 TRP A 121      -47.76    -28.39                                   
REMARK 500  1 GLU A 123       30.34    -75.33                                   
REMARK 500  1 GLN A 124      -34.14   -138.67                                   
REMARK 500  1 VAL A 125      153.43    -35.48                                   
REMARK 500  1 GLN A 126      112.77   -169.14                                   
REMARK 500  1 LYS A 129      -38.81    -37.49                                   
REMARK 500  1 GLN A 143        5.50   -158.78                                   
REMARK 500  1 PRO A 146      -29.34    -38.37                                   
REMARK 500  1 GLN A 185       -2.85    -58.81                                   
REMARK 500  1 ASN A 194       84.05   -158.36                                   
REMARK 500  1 GLN A 196      -79.22    -38.21                                   
REMARK 500  1 LYS B  42      -66.51    -24.29                                   
REMARK 500  1 GLN B  52      -52.42    -19.33                                   
REMARK 500  1 LYS B  59      -87.48    -88.50                                   
REMARK 500  1 LYS B  64      -57.07    -12.36                                   
REMARK 500  1 LYS B 106      -73.74    -49.45                                   
REMARK 500  1 PHE B 116      -71.54    -80.35                                   
REMARK 500  1 ASN B 120       30.82    -75.07                                   
REMARK 500  1 GLU B 136      -36.61    -39.07                                   
REMARK 500  1 ARG B 156      -64.77    -96.79                                   
REMARK 500  1 LYS B 168      -76.12    -51.28                                   
REMARK 500  1 GLU B 182      127.54    -39.80                                   
REMARK 500  1 GLN B 185        2.71    -61.57                                   
REMARK 500  1 GLU B 190       24.34    -68.79                                   
REMARK 500  1 ASP B 193      -93.62    -67.96                                   
REMARK 500  1 ASN B 212     -166.26    -79.57                                   
REMARK 500  1 PHE B 234      -73.41    -61.68                                   
REMARK 500  1 ARG B 246      -14.72    -49.60                                   
REMARK 500  2 MET A  30      -72.79    -65.78                                   
REMARK 500  2 LYS A  63     -168.40   -112.57                                   
REMARK 500  2 LYS A  64      -86.54    -36.20                                   
REMARK 500  2 ALA A  93       31.78    -98.30                                   
REMARK 500  2 PHE A  94      -21.21   -173.58                                   
REMARK 500  2 ASN A 144      -13.50   -151.56                                   
REMARK 500  2 GLU A 145       56.07   -153.44                                   
REMARK 500  2 TYR A 154      -79.59    -56.07                                   
REMARK 500  2 THR A 155      -32.70    -31.59                                   
REMARK 500  2 ARG A 156      -92.06    -87.18                                   
REMARK 500  2 LEU A 161       28.88    -72.58                                   
REMARK 500  2 SER A 162      -36.61   -143.53                                   
REMARK 500  2 GLN A 185       -3.03    -58.96                                   
REMARK 500  2 ASN A 194       74.49   -169.50                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     562 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEM A 300  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  45   NE2                                                    
REMARK 620 2 HEM A 300   NA   95.7                                              
REMARK 620 3 HEM A 300   NB   95.2  89.4                                        
REMARK 620 4 HEM A 300   NC   87.3 177.0  90.3                                  
REMARK 620 5 HEM A 300   ND   88.8  90.5 176.0  89.6                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEM B 265  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B  45   NE2                                                    
REMARK 620 2 HEM B 265   NA   95.0                                              
REMARK 620 3 HEM B 265   NB   97.2  89.3                                        
REMARK 620 4 HEM B 265   NC   92.0 173.0  89.8                                  
REMARK 620 5 HEM B 265   ND   93.6  89.7 169.2  89.9                            
REMARK 620 N                    1     2     3     4                             
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 300                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 265                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: GO.91265   RELATED DB: TARGETDB                          
REMARK 900 RELATED ID: 2QPP   RELATED DB: PDB                                   
REMARK 900 ORIGINAL REFINEMENT BASED ON SAME DATA AND R-FREE SET.               
REMARK 900 RELATED ID: 2Q32   RELATED DB: PDB                                   
REMARK 900 HUMAN HEME OXYGENASE-2 C127A (HO-2) WITHOUT BOUND HEME.              
DBREF  2RGZ A    1   264  UNP    P30519   HMOX2_HUMAN      1    264             
DBREF  2RGZ B    1   264  UNP    P30519   HMOX2_HUMAN      1    264             
SEQADV 2RGZ ALA A  127  UNP  P30519    CYS   127 ENGINEERED                     
SEQADV 2RGZ ALA B  127  UNP  P30519    CYS   127 ENGINEERED                     
SEQRES   1 A  264  MET SER ALA GLU VAL GLU THR SER GLU GLY VAL ASP GLU          
SEQRES   2 A  264  SER GLU LYS LYS ASN SER GLY ALA LEU GLU LYS GLU ASN          
SEQRES   3 A  264  GLN MET ARG MET ALA ASP LEU SER GLU LEU LEU LYS GLU          
SEQRES   4 A  264  GLY THR LYS GLU ALA HIS ASP ARG ALA GLU ASN THR GLN          
SEQRES   5 A  264  PHE VAL LYS ASP PHE LEU LYS GLY ASN ILE LYS LYS GLU          
SEQRES   6 A  264  LEU PHE LYS LEU ALA THR THR ALA LEU TYR PHE THR TYR          
SEQRES   7 A  264  SER ALA LEU GLU GLU GLU MET GLU ARG ASN LYS ASP HIS          
SEQRES   8 A  264  PRO ALA PHE ALA PRO LEU TYR PHE PRO MET GLU LEU HIS          
SEQRES   9 A  264  ARG LYS GLU ALA LEU THR LYS ASP MET GLU TYR PHE PHE          
SEQRES  10 A  264  GLY GLU ASN TRP GLU GLU GLN VAL GLN ALA PRO LYS ALA          
SEQRES  11 A  264  ALA GLN LYS TYR VAL GLU ARG ILE HIS TYR ILE GLY GLN          
SEQRES  12 A  264  ASN GLU PRO GLU LEU LEU VAL ALA HIS ALA TYR THR ARG          
SEQRES  13 A  264  TYR MET GLY ASP LEU SER GLY GLY GLN VAL LEU LYS LYS          
SEQRES  14 A  264  VAL ALA GLN ARG ALA LEU LYS LEU PRO SER THR GLY GLU          
SEQRES  15 A  264  GLY THR GLN PHE TYR LEU PHE GLU ASN VAL ASP ASN ALA          
SEQRES  16 A  264  GLN GLN PHE LYS GLN LEU TYR ARG ALA ARG MET ASN ALA          
SEQRES  17 A  264  LEU ASP LEU ASN MET LYS THR LYS GLU ARG ILE VAL GLU          
SEQRES  18 A  264  GLU ALA ASN LYS ALA PHE GLU TYR ASN MET GLN ILE PHE          
SEQRES  19 A  264  ASN GLU LEU ASP GLN ALA GLY SER THR LEU ALA ARG GLU          
SEQRES  20 A  264  THR LEU GLU ASP GLY PHE PRO VAL HIS ASP GLY LYS GLY          
SEQRES  21 A  264  ASP MET ARG LYS                                              
SEQRES   1 B  264  MET SER ALA GLU VAL GLU THR SER GLU GLY VAL ASP GLU          
SEQRES   2 B  264  SER GLU LYS LYS ASN SER GLY ALA LEU GLU LYS GLU ASN          
SEQRES   3 B  264  GLN MET ARG MET ALA ASP LEU SER GLU LEU LEU LYS GLU          
SEQRES   4 B  264  GLY THR LYS GLU ALA HIS ASP ARG ALA GLU ASN THR GLN          
SEQRES   5 B  264  PHE VAL LYS ASP PHE LEU LYS GLY ASN ILE LYS LYS GLU          
SEQRES   6 B  264  LEU PHE LYS LEU ALA THR THR ALA LEU TYR PHE THR TYR          
SEQRES   7 B  264  SER ALA LEU GLU GLU GLU MET GLU ARG ASN LYS ASP HIS          
SEQRES   8 B  264  PRO ALA PHE ALA PRO LEU TYR PHE PRO MET GLU LEU HIS          
SEQRES   9 B  264  ARG LYS GLU ALA LEU THR LYS ASP MET GLU TYR PHE PHE          
SEQRES  10 B  264  GLY GLU ASN TRP GLU GLU GLN VAL GLN ALA PRO LYS ALA          
SEQRES  11 B  264  ALA GLN LYS TYR VAL GLU ARG ILE HIS TYR ILE GLY GLN          
SEQRES  12 B  264  ASN GLU PRO GLU LEU LEU VAL ALA HIS ALA TYR THR ARG          
SEQRES  13 B  264  TYR MET GLY ASP LEU SER GLY GLY GLN VAL LEU LYS LYS          
SEQRES  14 B  264  VAL ALA GLN ARG ALA LEU LYS LEU PRO SER THR GLY GLU          
SEQRES  15 B  264  GLY THR GLN PHE TYR LEU PHE GLU ASN VAL ASP ASN ALA          
SEQRES  16 B  264  GLN GLN PHE LYS GLN LEU TYR ARG ALA ARG MET ASN ALA          
SEQRES  17 B  264  LEU ASP LEU ASN MET LYS THR LYS GLU ARG ILE VAL GLU          
SEQRES  18 B  264  GLU ALA ASN LYS ALA PHE GLU TYR ASN MET GLN ILE PHE          
SEQRES  19 B  264  ASN GLU LEU ASP GLN ALA GLY SER THR LEU ALA ARG GLU          
SEQRES  20 B  264  THR LEU GLU ASP GLY PHE PRO VAL HIS ASP GLY LYS GLY          
SEQRES  21 B  264  ASP MET ARG LYS                                              
HET    HEM  A 300      43                                                       
HET    HEM  B 265      43                                                       
HETNAM     HEM PROTOPORPHYRIN IX CONTAINING FE                                  
HETSYN     HEM HEME                                                             
FORMUL   3  HEM    2(C34 H32 FE N4 O4)                                          
FORMUL   5  HOH   *83(H2 O)                                                     
HELIX    1   1 ASP A   32  THR A   41  1                                  10    
HELIX    2   2 THR A   41  THR A   51  1                                  11    
HELIX    3   3 THR A   51  LYS A   59  1                                   9    
HELIX    4   4 LYS A   64  ASN A   88  1                                  25    
HELIX    5   5 PHE A   94  TYR A   98  5                                   5    
HELIX    6   6 ARG A  105  PHE A  117  1                                  13    
HELIX    7   7 GLY A  118  GLN A  124  5                                   7    
HELIX    8   8 PRO A  128  ILE A  141  1                                  14    
HELIX    9   9 GLU A  145  LEU A  148  5                                   4    
HELIX   10  10 LEU A  149  LEU A  175  1                                  27    
HELIX   11  11 ASN A  194  LEU A  209  1                                  16    
HELIX   12  12 ASN A  212  ALA A  240  1                                  29    
HELIX   13  13 ASP B   32  THR B   41  1                                  10    
HELIX   14  14 THR B   41  ARG B   47  1                                   7    
HELIX   15  15 THR B   51  LYS B   59  1                                   9    
HELIX   16  16 LYS B   63  ASN B   88  1                                  26    
HELIX   17  17 PHE B   94  TYR B   98  5                                   5    
HELIX   18  18 PHE B   99  HIS B  104  1                                   6    
HELIX   19  19 ARG B  105  GLY B  118  1                                  14    
HELIX   20  20 GLU B  119  GLN B  124  5                                   6    
HELIX   21  21 PRO B  128  GLU B  145  1                                  18    
HELIX   22  22 LEU B  148  LEU B  161  1                                  14    
HELIX   23  23 GLY B  163  LEU B  175  1                                  13    
HELIX   24  24 THR B  184  LEU B  188  5                                   5    
HELIX   25  25 ASN B  194  ALA B  208  1                                  15    
HELIX   26  26 MET B  213  THR B  243  1                                  31    
LINK         NE2 HIS A  45                FE   HEM A 300     1555   1555  2.09  
LINK         NE2 HIS B  45                FE   HEM B 265     1555   1555  2.13  
SITE     1 AC1 16 HIS A  45  ALA A  48  GLU A  49  VAL A  54                    
SITE     2 AC1 16 LEU A  58  TYR A 154  THR A 155  ARG A 156                    
SITE     3 AC1 16 GLY A 159  SER A 162  LYS A 199  ARG A 203                    
SITE     4 AC1 16 PHE A 227  ASN A 230  PHE A 234  HOH A 319                    
SITE     1 AC2 12 HIS B  45  VAL B  54  LEU B  58  TYR B 154                    
SITE     2 AC2 12 THR B 155  ARG B 156  MET B 158  GLY B 159                    
SITE     3 AC2 12 SER B 162  ARG B 203  PHE B 227  PHE B 234                    
CRYST1   74.977   85.094   97.846  90.00  90.00  90.00 P 21 21 21    8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.013337  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.011752  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010220        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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