HEADER    TRANSFERASE                             29-APR-99   1WWA              
TITLE     NGF BINDING DOMAIN OF HUMAN TRKA RECEPTOR                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN (NERVE GROWTH FACTOR RECEPTOR TRKA);               
COMPND   3 CHAIN: X, Y;                                                         
COMPND   4 FRAGMENT: LIGAND BINDING DOMAIN;                                     
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                  
KEYWDS    TRK RECEPTOR, RECEPTOR TYROSINE KINASE, 3D-DOMAIN SWAPPING            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.WIESMANN,M.H.ULTSCH,S.H.BASS,A.M.DE VOS                             
REVDAT   2   01-APR-03 1WWA    1       JRNL                                     
REVDAT   1   07-JUL-99 1WWA    0                                                
JRNL        AUTH   M.H.ULTSCH,C.WIESMANN,L.C.SIMMONS,J.HENRICH,M.YANG,          
JRNL        AUTH 2 D.REILLY,S.H.BASS,A.M.DE VOS                                 
JRNL        TITL   CRYSTAL STRUCTURES OF THE NEUROTROPHIN-BINDING               
JRNL        TITL 2 DOMAIN OF TRKA, TRKB AND TRKC.                               
JRNL        REF    J.MOL.BIOL.                   V. 290   149 1999              
JRNL        REFN   ASTM JMOBAK  UK ISSN 0022-2836                               
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. 2.50 ANGSTROMS.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.851                                         
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 20.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.200                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1000000.000                    
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0010                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 91.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 1404                           
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) : 0.207                           
REMARK   3   FREE R VALUE                     : 0.258                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.300                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 659                             
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           : 8                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.50                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.61                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 91.10                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1465                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3770                       
REMARK   3   BIN FREE R VALUE                    : 0.4090                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 4.50                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 67                           
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.005                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1634                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 66                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 12.72000                                             
REMARK   3    B22 (A**2) : 12.72000                                             
REMARK   3    B33 (A**2) : -24.70000                                            
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) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.012                           
REMARK   3   BOND ANGLES            (DEGREES) : 2.20                            
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
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) : 2.225 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 3.744 ; 2.500                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 4.123 ; 2.500                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 5.873 ; 3.000                
REMARK   3                                                                      
REMARK   3  NCS MODEL : RESTRAINED                                              
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  : NULL                                           
REMARK   3  PARAMETER FILE  2  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3  TOPOLOGY FILE  2   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1WWA COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006                         
REMARK   4                                                                      
REMARK   4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY.                    
REMARK   4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17)                     
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB .                              
REMARK 100 THE RCSB ID CODE IS RCSB000976.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : APR-1998                           
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 6.50                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRL                               
REMARK 200  BEAMLINE                       : BL9-1                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.98                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : NULL                               
REMARK 200  DETECTOR MANUFACTURER          : NULL                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 14884                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 25.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.4                               
REMARK 200  DATA REDUNDANCY                : 6.500                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.05100                            
REMARK 200   FOR THE DATA SET  : 15.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.59                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.03700                            
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 72.34                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.45                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.5                                   
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,1/2+Z                                             
REMARK 290       3555   1/2-Y,1/2+X,1/4+Z                                       
REMARK 290       4555   1/2+Y,1/2-X,3/4+Z                                       
REMARK 290       5555   1/2-X,1/2+Y,1/4-Z                                       
REMARK 290       6555   1/2+X,1/2-Y,3/4-Z                                       
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,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        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       37.99000            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       53.21000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       53.21000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       18.99500            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       53.21000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       53.21000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       56.98500            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       53.21000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       53.21000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       18.99500            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       53.21000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       53.21000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       56.98500            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       37.99000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             
REMARK 300 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR                     
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).                
REMARK 350                                                                      
REMARK 350 GENERATING THE BIOMOLECULE                                           
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 APPLY THE FOLLOWING TO CHAINS: X                                     
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 BIOMOLECULE: 2                                                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: Y                                     
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     VAL X   278                                                      
REMARK 465     GLN X   279                                                      
REMARK 465     VAL X   280                                                      
REMARK 465     ASN X   281                                                      
REMARK 465     PHE Y   383                                                      
REMARK 465     GLU Y   384                                                      
REMARK 465     PHE Y   385                                                      
REMARK 465     ASN Y   386                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
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,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3)                  
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991                                
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    MET Y 296   SD    MET Y 296   CE     0.105                        
REMARK 500    PRO Y 382   CB    PRO Y 382   CG     0.078                        
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: ENGH AND HUBER, 1991                                
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    SER X 283   N   -  CA  -  C   ANGL. DEV. = 14.4 DEGREES           
REMARK 500    LEU X 346   CA  -  CB  -  CG  ANGL. DEV. =-11.8 DEGREES           
REMARK 500    LEU X 346   N   -  CA  -  C   ANGL. DEV. =-20.8 DEGREES           
REMARK 500    ILE Y 301   N   -  CA  -  C   ANGL. DEV. =-11.4 DEGREES           
REMARK 500    GLU Y 339   N   -  CA  -  C   ANGL. DEV. =-13.9 DEGREES           
REMARK 500    LEU Y 346   N   -  CA  -  C   ANGL. DEV. =-22.7 DEGREES           
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1WWB   RELATED DB: PDB                                   
REMARK 900 TRKB                                                                 
REMARK 900 RELATED ID: 1WWC   RELATED DB: PDB                                   
REMARK 900 TRKC                                                                 
DBREF  1WWA X  278   386  UNP    P04629   NTRK1_HUMAN    278    408             
DBREF  1WWA Y  278   386  UNP    P04629   NTRK1_HUMAN    278    408             
SEQADV 1WWA     X       UNP  P04629    VAL   393 SEE REMARK 999                 
SEQADV 1WWA     X       UNP  P04629    SER   394 SEE REMARK 999                 
SEQADV 1WWA     X       UNP  P04629    PHE   395 SEE REMARK 999                 
SEQADV 1WWA     X       UNP  P04629    SER   396 SEE REMARK 999                 
SEQADV 1WWA     X       UNP  P04629    PRO   397 SEE REMARK 999                 
SEQADV 1WWA     X       UNP  P04629    VAL   398 SEE REMARK 999                 
SEQADV 1WWA     Y       UNP  P04629    VAL   393 SEE REMARK 999                 
SEQADV 1WWA     Y       UNP  P04629    SER   394 SEE REMARK 999                 
SEQADV 1WWA     Y       UNP  P04629    PHE   395 SEE REMARK 999                 
SEQADV 1WWA     Y       UNP  P04629    SER   396 SEE REMARK 999                 
SEQADV 1WWA     Y       UNP  P04629    PRO   397 SEE REMARK 999                 
SEQADV 1WWA     Y       UNP  P04629    VAL   398 SEE REMARK 999                 
SEQRES   1 X  109  VAL GLN VAL ASN VAL SER PHE PRO ALA SER VAL GLN LEU          
SEQRES   2 X  109  HIS THR ALA VAL GLU MET HIS HIS TRP CYS ILE PRO PHE          
SEQRES   3 X  109  SER VAL ASP GLY GLN PRO ALA PRO SER LEU ARG TRP LEU          
SEQRES   4 X  109  PHE ASN GLY SER VAL LEU ASN GLU THR SER PHE ILE PHE          
SEQRES   5 X  109  THR GLU PHE LEU GLU PRO ALA ALA ASN GLU THR VAL ARG          
SEQRES   6 X  109  HIS GLY CYS LEU ARG LEU ASN GLN PRO THR HIS VAL ASN          
SEQRES   7 X  109  ASN GLY ASN TYR THR LEU LEU ALA ALA ASN PRO PHE GLY          
SEQRES   8 X  109  GLN ALA SER ALA SER ILE MET ALA ALA PHE MET ASP ASN          
SEQRES   9 X  109  PRO PHE GLU PHE ASN                                          
SEQRES   1 Y  109  VAL GLN VAL ASN VAL SER PHE PRO ALA SER VAL GLN LEU          
SEQRES   2 Y  109  HIS THR ALA VAL GLU MET HIS HIS TRP CYS ILE PRO PHE          
SEQRES   3 Y  109  SER VAL ASP GLY GLN PRO ALA PRO SER LEU ARG TRP LEU          
SEQRES   4 Y  109  PHE ASN GLY SER VAL LEU ASN GLU THR SER PHE ILE PHE          
SEQRES   5 Y  109  THR GLU PHE LEU GLU PRO ALA ALA ASN GLU THR VAL ARG          
SEQRES   6 Y  109  HIS GLY CYS LEU ARG LEU ASN GLN PRO THR HIS VAL ASN          
SEQRES   7 Y  109  ASN GLY ASN TYR THR LEU LEU ALA ALA ASN PRO PHE GLY          
SEQRES   8 Y  109  GLN ALA SER ALA SER ILE MET ALA ALA PHE MET ASP ASN          
SEQRES   9 Y  109  PRO PHE GLU PHE ASN                                          
FORMUL   3  HOH   *66(H2 O)                                                     
HELIX    1   1 HIS X  353  ASN X  355  5                                   3    
HELIX    2   2 HIS Y  353  ASN Y  355  5                                   3    
SHEET    1   A 3 TRP X 299  VAL X 305  0                                        
SHEET    2   A 3 ARG X 342  LEU X 348 -1  N  LEU X 348   O  TRP X 299           
SHEET    3   A 3 ILE X 328  PHE X 332 -1  N  GLU X 331   O  CYS X 345           
SHEET    1   B 3 SER X 312  PHE X 317  0                                        
SHEET    2   B 3 GLY X 357  ASN X 365 -1  N  ALA X 364   O  SER X 312           
SHEET    3   B 3 GLY X 368  ALA X 376 -1  N  ALA X 376   O  GLY X 357           
SHEET    1   C 3 HIS Y 298  VAL Y 305  0                                        
SHEET    2   C 3 ARG Y 342  ASN Y 349 -1  N  LEU Y 348   O  TRP Y 299           
SHEET    3   C 3 ILE Y 328  PHE Y 332 -1  N  GLU Y 331   O  CYS Y 345           
SHEET    1   D 3 SER Y 312  PHE Y 317  0                                        
SHEET    2   D 3 GLY Y 357  ASN Y 365 -1  N  ALA Y 364   O  SER Y 312           
SHEET    3   D 3 GLY Y 368  ALA Y 376 -1  N  ALA Y 376   O  GLY Y 357           
SSBOND   1 CYS X  300    CYS X  345                                             
SSBOND   2 CYS Y  300    CYS Y  345                                             
CISPEP   1 GLN X  308    PRO X  309          0         0.27                     
CISPEP   2 GLN Y  308    PRO Y  309          0         0.04                     
CRYST1  106.420  106.420   75.980  90.00  90.00  90.00 P 41 21 2    16          
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      0.009397  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.009397  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013161        0.00000                         
MTRIX1   1 -0.999900  0.004000  0.015800      -17.96480    1                    
MTRIX2   1  0.011600 -0.514100  0.857700       96.75570    1                    
MTRIX3   1  0.011500  0.857700  0.514000      -54.58860    1