HEADER    HORMONE                                 11-MAY-12   4F4V              
TITLE     HUMAN INSULIN                                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: INSULIN A CHAIN;                                           
COMPND   3 CHAIN: A, C;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 90-110;                                       
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: INSULIN B CHAIN;                                           
COMPND   7 CHAIN: B, D;                                                         
COMPND   8 FRAGMENT: UNP RESIDUES 25-54                                         
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   7 ORGANISM_COMMON: HUMAN;                                              
SOURCE   8 ORGANISM_TAXID: 9606                                                 
KEYWDS    PANCREATIC HORMONE, HORMONE                                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.P.FAVERO-RETTO,L.C.PALMIERI,L.M.T.R.LIMA                            
REVDAT   3   18-DEC-13 4F4V    1       JRNL                                     
REVDAT   2   12-JUN-13 4F4V    1       JRNL                                     
REVDAT   1   15-MAY-13 4F4V    0                                                
JRNL        AUTH   M.P.FAVERO-RETTO,L.C.PALMIERI,T.A.SOUZA,F.C.ALMEIDA,L.M.LIMA 
JRNL        TITL   STRUCTURAL META-ANALYSIS OF REGULAR HUMAN INSULIN IN         
JRNL        TITL 2 PHARMACEUTICAL FORMULATIONS.                                 
JRNL        REF    EUR J PHARM BIOPHARM          V.  85  1112 2013              
JRNL        REFN                                                                
JRNL        PMID   23692694                                                     
JRNL        DOI    10.1016/J.EJPB.2013.05.005                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.64 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0102                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.64                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.43                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 86.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 9005                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.212                           
REMARK   3   R VALUE            (WORKING SET) : 0.209                           
REMARK   3   FREE R VALUE                     : 0.264                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 446                             
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.64                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.68                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 668                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 91.12                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.5290                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 30                           
REMARK   3   BIN FREE R VALUE                    : 0.8060                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 808                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 4                                       
REMARK   3   SOLVENT ATOMS            : 101                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 20.82                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.30000                                             
REMARK   3    B22 (A**2) : -0.30000                                             
REMARK   3    B33 (A**2) : 0.45000                                              
REMARK   3    B12 (A**2) : -0.15000                                             
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.157         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.129         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 9.366         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.936                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.913                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   894 ; 0.026 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):   568 ; 0.004 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1224 ; 2.054 ; 1.947       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1390 ; 1.168 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   111 ; 8.141 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    42 ;33.901 ;24.048       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   140 ;13.782 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     3 ; 8.952 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   135 ; 0.135 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1020 ; 0.010 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   195 ; 0.002 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):   543 ; 1.976 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   220 ; 0.716 ; 1.500       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   885 ; 2.752 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   351 ; 4.686 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   339 ; 6.171 ; 4.500       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  1462 ; 2.062 ; 3.000       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS                   
REMARK   3  U VALUES      : REFINED INDIVIDUALLY                                
REMARK   4                                                                      
REMARK   4 4F4V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAY-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB072457.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 01-OCT-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : LNLS                               
REMARK 200  BEAMLINE                       : W01B-MX2                           
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.458600                           
REMARK 200  MONOCHROMATOR                  : DOUBLE FLAT CRYSTAL SI(111)        
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 225 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9124                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.637                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 24.435                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 87.8                               
REMARK 200  DATA REDUNDANCY                : 2.800                              
REMARK 200  R MERGE                    (I) : 0.15100                            
REMARK 200  R SYM                      (I) : 0.15100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.64                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.73                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 94.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.68200                            
REMARK 200  R SYM FOR SHELL            (I) : 0.68200                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 0.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 34.30                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.87                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 2 UL 0.1 M SODIUM PHOSPHATE, PH 5.5,     
REMARK 280  10% W/V PEG6000 + 2 UL 100 U/ML HUMAN INSULIN (HUMULIN R, LOT # A   
REMARK 280  505073), CRYOPROTECTANT: MOTHER LIQUOR + 10% GLYCEROL, VAPOR        
REMARK 280  DIFFUSION, HANGING DROP, TEMPERATURE 293K                           
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   X+2/3,Y+1/3,Z+1/3                                       
REMARK 290       5555   -Y+2/3,X-Y+1/3,Z+1/3                                    
REMARK 290       6555   -X+Y+2/3,-X+1/3,Z+1/3                                   
REMARK 290       7555   X+1/3,Y+2/3,Z+2/3                                       
REMARK 290       8555   -Y+1/3,X-Y+2/3,Z+2/3                                    
REMARK 290       9555   -X+Y+1/3,-X+2/3,Z+2/3                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       40.98500            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       23.66270            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       11.23000            
REMARK 290   SMTRY1   5 -0.500000 -0.866025  0.000000       40.98500            
REMARK 290   SMTRY2   5  0.866025 -0.500000  0.000000       23.66270            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       11.23000            
REMARK 290   SMTRY1   6 -0.500000  0.866025  0.000000       40.98500            
REMARK 290   SMTRY2   6 -0.866025 -0.500000  0.000000       23.66270            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       11.23000            
REMARK 290   SMTRY1   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       47.32540            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       22.46000            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       47.32540            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000       22.46000            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       47.32540            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       22.46000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DODECAMERIC                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC                
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 22710 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 10150 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -713.0 KCAL/MOL                       
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 350   BIOMT2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 350   BIOMT3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375 ZN    ZN D 101  LIES ON A SPECIAL POSITION.                          
REMARK 375 CL    CL D 102  LIES ON A SPECIAL POSITION.                          
REMARK 375 ZN    ZN B 101  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH D 228  LIES ON A SPECIAL POSITION.                          
REMARK 375 CL    CL B 102  LIES ON A SPECIAL POSITION.                          
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    LYS B  29   O   -  C   -  N   ANGL. DEV. =  10.6 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    SER A   9     -169.16    -79.29                                   
REMARK 500    SER C   9     -123.51   -124.71                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 LYS B   29     THR B   30                  147.74                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
REMARK 500                                                                      
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR                        
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE                                    
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
REMARK 500                                                                      
REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
REMARK 500    LYS B  29        23.0      L          L   OUTSIDE RANGE           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL D 102                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3I3Z   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EWW   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EWX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EWZ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EX0   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EX1   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EXX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EY1   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EY9   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EYD   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EYN   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4EYP   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F0N   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F0O   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F1A   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F1B   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F1C   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F1D   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F1F   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F1G   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F4T   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4F51   RELATED DB: PDB                                   
DBREF  4F4V A    1    21  UNP    P01308   INS_HUMAN       90    110             
DBREF  4F4V B    1    30  UNP    P01308   INS_HUMAN       25     54             
DBREF  4F4V C    1    21  UNP    P01308   INS_HUMAN       90    110             
DBREF  4F4V D    1    30  UNP    P01308   INS_HUMAN       25     54             
SEQRES   1 A   21  GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU          
SEQRES   2 A   21  TYR GLN LEU GLU ASN TYR CYS ASN                              
SEQRES   1 B   30  PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU          
SEQRES   2 B   30  ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR          
SEQRES   3 B   30  THR PRO LYS THR                                              
SEQRES   1 C   21  GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU          
SEQRES   2 C   21  TYR GLN LEU GLU ASN TYR CYS ASN                              
SEQRES   1 D   30  PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU          
SEQRES   2 D   30  ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR          
SEQRES   3 D   30  THR PRO LYS THR                                              
HET     ZN  B 101       1                                                       
HET     CL  B 102       1                                                       
HET     ZN  D 101       1                                                       
HET     CL  D 102       1                                                       
HETNAM      ZN ZINC ION                                                         
HETNAM      CL CHLORIDE ION                                                     
FORMUL   5   ZN    2(ZN 2+)                                                     
FORMUL   6   CL    2(CL 1-)                                                     
FORMUL   9  HOH   *101(H2 O)                                                    
HELIX    1   1 GLY A    1  CYS A    7  1                                   7    
HELIX    2   2 LEU A   13  GLU A   17  1                                   5    
HELIX    3   3 ASN A   18  CYS A   20  5                                   3    
HELIX    4   4 GLY B    8  GLY B   20  1                                  13    
HELIX    5   5 GLU B   21  GLY B   23  5                                   3    
HELIX    6   6 ILE C    2  SER C    9  1                                   8    
HELIX    7   7 SER C   12  ASN C   18  1                                   7    
HELIX    8   8 GLY D    8  GLY D   20  1                                  13    
HELIX    9   9 GLU D   21  GLY D   23  5                                   3    
SHEET    1   A 2 CYS A  11  SER A  12  0                                        
SHEET    2   A 2 ASN B   3  GLN B   4 -1  O  GLN B   4   N  CYS A  11           
SHEET    1   B 2 PHE B  24  TYR B  26  0                                        
SHEET    2   B 2 PHE D  24  TYR D  26 -1  O  TYR D  26   N  PHE B  24           
SSBOND   1 CYS A    6    CYS A   11                          1555   1555  2.09  
SSBOND   2 CYS A    7    CYS B    7                          1555   1555  2.06  
SSBOND   3 CYS A   20    CYS B   19                          1555   1555  2.02  
SSBOND   4 CYS C    6    CYS C   11                          1555   1555  2.02  
SSBOND   5 CYS C    7    CYS D    7                          1555   1555  2.09  
SSBOND   6 CYS C   20    CYS D   19                          1555   1555  2.03  
LINK         NE2 HIS B  10                ZN    ZN B 101     1555   1555  1.96  
LINK         NE2 HIS D  10                ZN    ZN D 101     1555   1555  2.15  
SITE     1 AC1  2 HIS B  10   CL B 102                                          
SITE     1 AC2  1  ZN B 101                                                     
SITE     1 AC3  2 HIS D  10   CL D 102                                          
SITE     1 AC4  2  ZN D 101  HOH D 227                                          
CRYST1   81.970   81.970   33.690  90.00  90.00 120.00 H 3          18          
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      0.012200  0.007043  0.000000        0.00000                         
SCALE2      0.000000  0.014087  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.029682        0.00000                         
ATOM      1  N   GLY A   1      -0.675  20.032 -19.450  1.00 18.24           N  
ATOM      2  CA  GLY A   1      -0.559  19.903 -17.967  1.00 20.12           C  
ATOM      3  C   GLY A   1       0.285  18.746 -17.513  1.00 19.64           C  
ATOM      4  O   GLY A   1       1.205  18.292 -18.205  1.00 22.18           O  
ATOM      5  N   ILE A   2       0.009  18.281 -16.310  1.00 19.78           N  
ATOM      6  CA  ILE A   2       0.772  17.213 -15.735  1.00 17.84           C  
ATOM      7  C   ILE A   2       0.811  15.954 -16.605  1.00 18.75           C  
ATOM      8  O   ILE A   2       1.827  15.287 -16.706  1.00 17.43           O  
ATOM      9  CB  ILE A   2       0.249  16.855 -14.246  1.00 17.74           C  
ATOM     10  CG1 ILE A   2       1.273  16.021 -13.488  1.00 16.73           C  
ATOM     11  CG2 ILE A   2      -1.194  16.290 -14.162  1.00 15.12           C  
ATOM     12  CD1 ILE A   2       0.866  15.719 -12.156  1.00 15.60           C  
ATOM     13  N   VAL A   3      -0.321  15.594 -17.172  1.00 19.02           N  
ATOM     14  CA  VAL A   3      -0.437  14.340 -17.903  1.00 19.06           C  
ATOM     15  C   VAL A   3       0.437  14.357 -19.122  1.00 19.73           C  
ATOM     16  O   VAL A   3       1.082  13.362 -19.492  1.00 19.98           O  
ATOM     17  CB  VAL A   3      -1.920  14.001 -18.293  1.00 17.89           C  
ATOM     18  CG1 VAL A   3      -1.958  12.767 -19.097  1.00 18.04           C  
ATOM     19  CG2 VAL A   3      -2.799  13.861 -17.041  1.00 19.49           C  
ATOM     20  N   GLU A   4       0.519  15.524 -19.723  1.00 19.36           N  
ATOM     21  CA  GLU A   4       1.309  15.696 -20.902  1.00 20.22           C  
ATOM     22  C   GLU A   4       2.796  15.739 -20.487  1.00 20.15           C  
ATOM     23  O   GLU A   4       3.644  15.116 -21.074  1.00 18.72           O  
ATOM     24  CB  GLU A   4       0.856  16.968 -21.604  1.00 19.55           C  
ATOM     25  CG  GLU A   4      -0.471  16.845 -22.264  1.00 21.54           C  
ATOM     26  CD  GLU A   4      -1.678  16.889 -21.358  1.00 20.68           C  
ATOM     27  OE1 GLU A   4      -1.731  17.710 -20.415  1.00 24.66           O  
ATOM     28  OE2 GLU A   4      -2.570  16.016 -21.572  1.00 22.72           O  
ATOM     29  N   GLN A   5       3.087  16.467 -19.444  1.00 20.52           N  
ATOM     30  CA  GLN A   5       4.448  16.638 -19.042  1.00 21.10           C  
ATOM     31  C   GLN A   5       5.067  15.304 -18.562  1.00 21.09           C  
ATOM     32  O   GLN A   5       6.207  15.011 -18.847  1.00 21.52           O  
ATOM     33  CB  GLN A   5       4.497  17.735 -17.983  1.00 23.14           C  
ATOM     34  CG  GLN A   5       4.202  19.171 -18.558  1.00 23.99           C  
ATOM     35  CD  GLN A   5       5.317  19.690 -19.425  1.00 26.79           C  
ATOM     36  OE1 GLN A   5       6.480  19.314 -19.270  1.00 27.18           O  
ATOM     37  NE2 GLN A   5       4.974  20.557 -20.373  1.00 31.48           N  
ATOM     38  N   CYS A   6       4.291  14.472 -17.872  1.00 21.25           N  
ATOM     39  CA  CYS A   6       4.815  13.355 -17.081  1.00 20.06           C  
ATOM     40  C   CYS A   6       4.371  11.975 -17.571  1.00 19.72           C  
ATOM     41  O   CYS A   6       5.024  10.966 -17.257  1.00 19.29           O  
ATOM     42  CB  CYS A   6       4.403  13.527 -15.637  1.00 19.79           C  
ATOM     43  SG  CYS A   6       5.180  14.877 -14.778  1.00 23.93           S  
ATOM     44  N   CYS A   7       3.255  11.887 -18.258  1.00 17.98           N  
ATOM     45  CA  CYS A   7       2.773  10.582 -18.693  1.00 18.52           C  
ATOM     46  C   CYS A   7       3.050  10.433 -20.213  1.00 19.35           C  
ATOM     47  O   CYS A   7       3.657   9.513 -20.666  1.00 21.29           O  
ATOM     48  CB  CYS A   7       1.274  10.438 -18.409  1.00 18.70           C  
ATOM     49  SG  CYS A   7       0.533   8.974 -19.180  1.00 19.29           S  
ATOM     50  N   THR A   8       2.532  11.359 -20.961  1.00 19.68           N  
ATOM     51  CA  THR A   8       2.671  11.375 -22.400  1.00 20.09           C  
ATOM     52  C   THR A   8       4.129  11.576 -22.726  1.00 19.77           C  
ATOM     53  O   THR A   8       4.718  10.751 -23.356  1.00 21.34           O  
ATOM     54  CB  THR A   8       1.824  12.448 -23.009  1.00 20.84           C  
ATOM     55  OG1 THR A   8       0.460  12.275 -22.633  1.00 21.46           O  
ATOM     56  CG2 THR A   8       1.950  12.454 -24.581  1.00 21.97           C  
ATOM     57  N   SER A   9       4.703  12.687 -22.334  1.00 20.42           N  
ATOM     58  CA  SER A   9       6.136  12.817 -22.184  1.00 19.82           C  
ATOM     59  C   SER A   9       6.665  12.190 -20.842  1.00 19.39           C  
ATOM     60  O   SER A   9       5.981  11.384 -20.162  1.00 18.59           O  
ATOM     61  CB  SER A   9       6.436  14.323 -22.259  1.00 19.72           C  
ATOM     62  OG  SER A   9       7.791  14.533 -22.328  1.00 18.62           O  
ATOM     63  N  AILE A  10       7.931  12.467 -20.529  0.50 20.46           N  
ATOM     64  N  BILE A  10       7.937  12.456 -20.569  0.50 19.04           N  
ATOM     65  CA AILE A  10       8.576  12.165 -19.263  0.50 20.06           C  
ATOM     66  CA BILE A  10       8.581  12.189 -19.306  0.50 18.22           C  
ATOM     67  C  AILE A  10       8.986  13.313 -18.352  0.50 19.97           C  
ATOM     68  C  BILE A  10       8.982  13.351 -18.418  0.50 18.99           C  
ATOM     69  O  AILE A  10       9.205  14.352 -18.783  0.50 19.40           O  
ATOM     70  O  BILE A  10       9.210  14.393 -18.826  0.50 18.83           O  
ATOM     71  CB AILE A  10       9.822  11.331 -19.508  0.50 20.31           C  
ATOM     72  CB BILE A  10       9.825  11.347 -19.520  0.50 17.64           C  
ATOM     73  CG1AILE A  10      10.849  12.134 -20.218  0.50 21.27           C  
ATOM     74  CG1BILE A  10      10.864  12.137 -20.224  0.50 16.19           C  
ATOM     75  CG2AILE A  10       9.535  10.061 -20.228  0.50 19.25           C  
ATOM     76  CG2BILE A  10       9.543  10.066 -20.224  0.50 15.56           C  
ATOM     77  CD1AILE A  10      12.116  11.303 -20.332  0.50 21.97           C  
ATOM     78  CD1BILE A  10      12.122  11.291 -20.333  0.50 16.94           C  
ATOM     79  N   CYS A  11       9.025  13.084 -17.050  1.00 20.20           N  
ATOM     80  CA  CYS A  11       9.344  14.261 -16.291  1.00 21.53           C  
ATOM     81  C   CYS A  11      10.213  13.761 -15.166  1.00 21.77           C  
ATOM     82  O   CYS A  11      10.260  12.593 -14.927  1.00 23.14           O  
ATOM     83  CB  CYS A  11       8.089  14.949 -15.737  1.00 23.03           C  
ATOM     84  SG  CYS A  11       7.089  14.063 -14.516  1.00 23.88           S  
ATOM     85  N   SER A  12      10.913  14.650 -14.546  1.00 20.12           N  
ATOM     86  CA  SER A  12      11.641  14.420 -13.300  1.00 21.72           C  
ATOM     87  C   SER A  12      10.818  14.579 -12.007  1.00 21.24           C  
ATOM     88  O   SER A  12       9.724  15.100 -12.021  1.00 20.78           O  
ATOM     89  CB  SER A  12      12.846  15.369 -13.228  1.00 21.33           C  
ATOM     90  OG  SER A  12      12.407  16.702 -13.046  1.00 23.05           O  
ATOM     91  N   LEU A  13      11.526  14.363 -10.983  1.00 21.31           N  
ATOM     92  CA  LEU A  13      10.826  14.303  -9.766  1.00 22.37           C  
ATOM     93  C   LEU A  13      10.567  15.752  -9.208  1.00 22.93           C  
ATOM     94  O   LEU A  13       9.477  16.075  -8.692  1.00 22.04           O  
ATOM     95  CB  LEU A  13      11.607  13.371  -8.773  1.00 23.04           C  
ATOM     96  CG  LEU A  13      11.385  11.842  -8.815  1.00 24.29           C  
ATOM     97  CD1 LEU A  13       9.962  11.305  -8.556  1.00 20.95           C  
ATOM     98  CD2 LEU A  13      11.889  11.332 -10.100  1.00 24.86           C  
ATOM     99  N   TYR A  14      11.604  16.586  -9.701  1.00 23.92           N  
ATOM    100  CA  TYR A  14      11.592  18.002  -9.524  1.00 24.45           C  
ATOM    101  C   TYR A  14      10.464  18.645 -10.274  1.00 24.05           C  
ATOM    102  O   TYR A  14       9.840  19.542  -9.730  1.00 25.59           O  
ATOM    103  CB  TYR A  14      12.895  18.660  -9.972  1.00 26.10           C  
ATOM    104  CG  TYR A  14      14.091  18.261  -9.175  1.00 31.88           C  
ATOM    105  CD1 TYR A  14      14.265  18.753  -7.880  1.00 36.61           C  
ATOM    106  CD2 TYR A  14      15.047  17.360  -9.680  1.00 35.99           C  
ATOM    107  CE1 TYR A  14      15.353  18.388  -7.109  1.00 37.22           C  
ATOM    108  CE2 TYR A  14      16.165  16.974  -8.889  1.00 38.30           C  
ATOM    109  CZ  TYR A  14      16.295  17.510  -7.607  1.00 39.41           C  
ATOM    110  OH  TYR A  14      17.355  17.147  -6.800  1.00 42.05           O  
ATOM    111  N   GLN A  15      10.220  18.258 -11.540  1.00 22.76           N  
ATOM    112  CA  GLN A  15       9.039  18.736 -12.247  1.00 21.88           C  
ATOM    113  C   GLN A  15       7.780  18.394 -11.517  1.00 20.64           C  
ATOM    114  O   GLN A  15       6.943  19.235 -11.366  1.00 19.95           O  
ATOM    115  CB  GLN A  15       8.958  18.174 -13.623  1.00 23.09           C  
ATOM    116  CG  GLN A  15      10.024  18.657 -14.527  1.00 25.45           C  
ATOM    117  CD  GLN A  15       9.931  18.012 -15.914  1.00 28.28           C  
ATOM    118  OE1 GLN A  15      10.693  17.079 -16.249  1.00 25.92           O  
ATOM    119  NE2 GLN A  15       8.954  18.477 -16.710  1.00 27.42           N  
ATOM    120  N   LEU A  16       7.645  17.164 -11.042  1.00 19.13           N  
ATOM    121  CA  LEU A  16       6.439  16.792 -10.324  1.00 19.86           C  
ATOM    122  C   LEU A  16       6.183  17.707  -9.081  1.00 19.03           C  
ATOM    123  O   LEU A  16       5.046  17.885  -8.713  1.00 19.23           O  
ATOM    124  CB  LEU A  16       6.517  15.357  -9.808  1.00 20.96           C  
ATOM    125  CG  LEU A  16       6.088  14.230 -10.689  1.00 22.76           C  
ATOM    126  CD1 LEU A  16       6.421  12.952  -9.846  1.00 20.90           C  
ATOM    127  CD2 LEU A  16       4.583  14.355 -11.066  1.00 25.63           C  
ATOM    128  N   GLU A  17       7.245  18.277  -8.493  1.00 17.22           N  
ATOM    129  CA  GLU A  17       7.083  19.238  -7.408  1.00 17.08           C  
ATOM    130  C   GLU A  17       6.338  20.471  -7.861  1.00 16.28           C  
ATOM    131  O   GLU A  17       5.878  21.250  -7.023  1.00 15.54           O  
ATOM    132  CB  GLU A  17       8.429  19.640  -6.861  1.00 18.09           C  
ATOM    133  CG  GLU A  17       8.972  18.622  -5.957  1.00 19.60           C  
ATOM    134  CD  GLU A  17      10.130  19.145  -5.131  1.00 21.55           C  
ATOM    135  OE1 GLU A  17      11.043  19.671  -5.738  1.00 20.91           O  
ATOM    136  OE2 GLU A  17      10.160  19.008  -3.889  1.00 18.48           O  
ATOM    137  N   ASN A  18       6.171  20.650  -9.175  1.00 14.99           N  
ATOM    138  CA  ASN A  18       5.428  21.820  -9.673  1.00 15.93           C  
ATOM    139  C   ASN A  18       3.951  21.732  -9.263  1.00 15.63           C  
ATOM    140  O   ASN A  18       3.244  22.744  -9.269  1.00 14.89           O  
ATOM    141  CB  ASN A  18       5.552  21.914 -11.215  1.00 16.26           C  
ATOM    142  CG  ASN A  18       6.955  22.219 -11.678  1.00 18.50           C  
ATOM    143  OD1 ASN A  18       7.753  22.734 -10.929  1.00 21.37           O  
ATOM    144  ND2 ASN A  18       7.254  21.894 -12.954  1.00 18.78           N  
ATOM    145  N   TYR A  19       3.484  20.514  -8.960  1.00 14.91           N  
ATOM    146  CA  TYR A  19       2.096  20.285  -8.670  1.00 14.05           C  
ATOM    147  C   TYR A  19       1.785  20.132  -7.186  1.00 14.19           C  
ATOM    148  O   TYR A  19       0.722  19.736  -6.786  1.00 11.28           O  
ATOM    149  CB  TYR A  19       1.578  19.121  -9.485  1.00 14.97           C  
ATOM    150  CG  TYR A  19       1.881  19.299 -10.961  1.00 13.86           C  
ATOM    151  CD1 TYR A  19       1.178  20.215 -11.720  1.00 14.09           C  
ATOM    152  CD2 TYR A  19       2.972  18.690 -11.531  1.00 16.56           C  
ATOM    153  CE1 TYR A  19       1.472  20.409 -13.015  1.00 16.58           C  
ATOM    154  CE2 TYR A  19       3.345  18.961 -12.849  1.00 12.39           C  
ATOM    155  CZ  TYR A  19       2.558  19.772 -13.576  1.00 17.31           C  
ATOM    156  OH  TYR A  19       2.869  19.964 -14.873  1.00 16.79           O  
ATOM    157  N   CYS A  20       2.777  20.406  -6.365  1.00 14.91           N  
ATOM    158  CA  CYS A  20       2.558  20.446  -4.961  1.00 15.06           C  
ATOM    159  C   CYS A  20       1.822  21.721  -4.684  1.00 16.47           C  
ATOM    160  O   CYS A  20       1.949  22.703  -5.426  1.00 17.10           O  
ATOM    161  CB  CYS A  20       3.878  20.404  -4.197  1.00 13.25           C  
ATOM    162  SG  CYS A  20       4.890  18.871  -4.411  1.00 15.96           S  
ATOM    163  N   ASN A  21       1.145  21.722  -3.531  1.00 18.46           N  
ATOM    164  CA  ASN A  21       0.553  22.871  -2.990  1.00 20.29           C  
ATOM    165  C   ASN A  21       1.592  23.522  -2.121  1.00 20.79           C  
ATOM    166  O   ASN A  21       2.737  23.147  -2.051  1.00 21.23           O  
ATOM    167  CB  ASN A  21      -0.772  22.501  -2.264  1.00 20.25           C  
ATOM    168  CG  ASN A  21      -1.892  22.270  -3.278  1.00 21.72           C  
ATOM    169  OD1 ASN A  21      -1.801  22.855  -4.357  1.00 22.32           O  
ATOM    170  ND2 ASN A  21      -2.913  21.432  -2.965  1.00 20.47           N  
ATOM    171  OXT ASN A  21       1.282  24.518  -1.571  1.00 20.77           O  
TER     172      ASN A  21                                                      
ATOM    173  N   PHE B   1      18.162  12.636  -9.968  1.00 44.21           N  
ATOM    174  CA  PHE B   1      17.394  11.343  -9.914  1.00 43.71           C  
ATOM    175  C   PHE B   1      17.215  10.886 -11.362  1.00 43.37           C  
ATOM    176  O   PHE B   1      18.186  10.932 -12.132  1.00 43.21           O  
ATOM    177  CB  PHE B   1      16.063  11.496  -9.175  1.00 43.80           C  
ATOM    178  CG  PHE B   1      16.211  11.930  -7.745  1.00 44.49           C  
ATOM    179  CD1 PHE B   1      15.872  11.061  -6.702  1.00 44.23           C  
ATOM    180  CD2 PHE B   1      16.697  13.212  -7.430  1.00 45.30           C  
ATOM    181  CE1 PHE B   1      16.010  11.466  -5.352  1.00 45.16           C  
ATOM    182  CE2 PHE B   1      16.852  13.633  -6.086  1.00 45.14           C  
ATOM    183  CZ  PHE B   1      16.495  12.764  -5.039  1.00 44.99           C  
ATOM    184  N   VAL B   2      15.998  10.464 -11.734  1.00 42.55           N  
ATOM    185  CA  VAL B   2      15.648  10.122 -13.138  1.00 41.58           C  
ATOM    186  C   VAL B   2      14.348  10.818 -13.674  1.00 40.02           C  
ATOM    187  O   VAL B   2      13.625  11.525 -12.936  1.00 40.08           O  
ATOM    188  CB  VAL B   2      15.490   8.570 -13.301  1.00 41.32           C  
ATOM    189  CG1 VAL B   2      16.853   7.854 -13.214  1.00 41.38           C  
ATOM    190  CG2 VAL B   2      14.466   8.026 -12.244  1.00 42.15           C  
ATOM    191  N   ASN B   3      14.114  10.596 -14.979  1.00 38.68           N  
ATOM    192  CA  ASN B   3      12.866  10.905 -15.711  1.00 37.71           C  
ATOM    193  C   ASN B   3      12.202   9.645 -16.235  1.00 35.87           C  
ATOM    194  O   ASN B   3      12.834   8.898 -16.929  1.00 35.91           O  
ATOM    195  CB  ASN B   3      13.151  11.772 -16.942  1.00 37.50           C  
ATOM    196  CG  ASN B   3      13.850  13.076 -16.598  1.00 39.69           C  
ATOM    197  OD1 ASN B   3      13.902  13.488 -15.414  1.00 42.12           O  
ATOM    198  ND2 ASN B   3      14.399  13.740 -17.630  1.00 40.86           N  
ATOM    199  N   GLN B   4      10.948   9.390 -15.888  1.00 34.57           N  
ATOM    200  CA  GLN B   4      10.201   8.222 -16.442  1.00 32.27           C  
ATOM    201  C   GLN B   4       8.807   8.702 -16.886  1.00 28.67           C  
ATOM    202  O   GLN B   4       8.433   9.852 -16.596  1.00 28.13           O  
ATOM    203  CB  GLN B   4      10.114   6.989 -15.464  1.00 33.42           C  
ATOM    204  CG  GLN B   4      10.151   7.183 -13.865  1.00 36.06           C  
ATOM    205  CD  GLN B   4       9.927   5.861 -13.078  1.00 35.73           C  
ATOM    206  OE1 GLN B   4      10.861   5.088 -12.875  1.00 36.24           O  
ATOM    207  NE2 GLN B   4       8.686   5.616 -12.631  1.00 34.70           N  
ATOM    208  N   HIS B   5       8.055   7.829 -17.566  1.00 25.44           N  
ATOM    209  CA  HIS B   5       6.589   8.011 -17.785  1.00 23.33           C  
ATOM    210  C   HIS B   5       5.823   7.621 -16.559  1.00 20.80           C  
ATOM    211  O   HIS B   5       5.962   6.513 -16.024  1.00 21.29           O  
ATOM    212  CB  HIS B   5       6.012   7.191 -18.909  1.00 22.37           C  
ATOM    213  CG  HIS B   5       6.515   7.593 -20.256  1.00 20.46           C  
ATOM    214  ND1 HIS B   5       7.503   6.895 -20.894  1.00 21.57           N  
ATOM    215  CD2 HIS B   5       6.162   8.595 -21.090  1.00 20.57           C  
ATOM    216  CE1 HIS B   5       7.797   7.502 -22.026  1.00 20.50           C  
ATOM    217  NE2 HIS B   5       6.975   8.522 -22.185  1.00 23.73           N  
ATOM    218  N   LEU B   6       4.985   8.536 -16.127  1.00 19.84           N  
ATOM    219  CA  LEU B   6       4.240   8.344 -14.899  1.00 17.86           C  
ATOM    220  C   LEU B   6       2.781   8.692 -15.285  1.00 17.82           C  
ATOM    221  O   LEU B   6       2.485   9.816 -15.666  1.00 17.29           O  
ATOM    222  CB  LEU B   6       4.792   9.259 -13.827  1.00 18.58           C  
ATOM    223  CG  LEU B   6       6.085   8.915 -13.116  1.00 18.59           C  
ATOM    224  CD1 LEU B   6       6.419  10.046 -12.235  1.00 22.63           C  
ATOM    225  CD2 LEU B   6       5.887   7.670 -12.309  1.00 19.47           C  
ATOM    226  N   CYS B   7       1.923   7.680 -15.263  1.00 17.76           N  
ATOM    227  CA  CYS B   7       0.575   7.734 -15.770  1.00 17.14           C  
ATOM    228  C   CYS B   7      -0.408   7.241 -14.768  1.00 17.71           C  
ATOM    229  O   CYS B   7      -0.074   6.375 -13.982  1.00 15.48           O  
ATOM    230  CB  CYS B   7       0.463   6.813 -16.972  1.00 17.68           C  
ATOM    231  SG  CYS B   7       1.560   7.432 -18.288  1.00 19.47           S  
ATOM    232  N   GLY B   8      -1.594   7.828 -14.777  1.00 16.97           N  
ATOM    233  CA  GLY B   8      -2.699   7.331 -13.928  1.00 17.23           C  
ATOM    234  C   GLY B   8      -2.388   7.263 -12.483  1.00 16.48           C  
ATOM    235  O   GLY B   8      -1.878   8.201 -11.864  1.00 17.78           O  
ATOM    236  N   SER B   9      -2.695   6.120 -11.904  1.00 16.48           N  
ATOM    237  CA  SER B   9      -2.517   5.995 -10.490  1.00 15.91           C  
ATOM    238  C   SER B   9      -1.042   6.120 -10.111  1.00 16.04           C  
ATOM    239  O   SER B   9      -0.728   6.631  -9.064  1.00 15.31           O  
ATOM    240  CB  SER B   9      -3.222   4.757  -9.975  1.00 16.02           C  
ATOM    241  OG  SER B   9      -2.601   3.608 -10.440  1.00 17.18           O  
ATOM    242  N   HIS B  10      -0.162   5.750 -11.038  1.00 15.46           N  
ATOM    243  CA  HIS B  10       1.260   5.857 -10.827  1.00 15.13           C  
ATOM    244  C   HIS B  10       1.747   7.298 -10.711  1.00 15.19           C  
ATOM    245  O   HIS B  10       2.662   7.607  -9.970  1.00 15.85           O  
ATOM    246  CB  HIS B  10       1.969   5.125 -11.911  1.00 15.47           C  
ATOM    247  CG  HIS B  10       1.638   3.680 -11.945  1.00 14.32           C  
ATOM    248  ND1 HIS B  10       1.957   2.843 -10.910  1.00 14.25           N  
ATOM    249  CD2 HIS B  10       0.971   2.935 -12.855  1.00 13.47           C  
ATOM    250  CE1 HIS B  10       1.556   1.618 -11.203  1.00 14.77           C  
ATOM    251  NE2 HIS B  10       0.954   1.647 -12.385  1.00 13.74           N  
ATOM    252  N   LEU B  11       1.058   8.179 -11.393  1.00 13.91           N  
ATOM    253  CA  LEU B  11       1.387   9.590 -11.384  1.00 13.94           C  
ATOM    254  C   LEU B  11       0.989  10.180 -10.049  1.00 14.56           C  
ATOM    255  O   LEU B  11       1.747  10.944  -9.500  1.00 13.58           O  
ATOM    256  CB  LEU B  11       0.705  10.261 -12.571  1.00 12.29           C  
ATOM    257  CG  LEU B  11       0.900  11.803 -12.632  1.00 12.74           C  
ATOM    258  CD1 LEU B  11       2.391  12.161 -12.306  1.00  7.38           C  
ATOM    259  CD2 LEU B  11       0.390  12.230 -13.928  1.00 14.63           C  
ATOM    260  N   VAL B  12      -0.166   9.798  -9.493  1.00 15.71           N  
ATOM    261  CA  VAL B  12      -0.618  10.421  -8.264  1.00 15.18           C  
ATOM    262  C   VAL B  12       0.173   9.791  -7.073  1.00 15.22           C  
ATOM    263  O   VAL B  12       0.404  10.451  -6.089  1.00 13.55           O  
ATOM    264  CB  VAL B  12      -2.176  10.339  -8.008  1.00 16.55           C  
ATOM    265  CG1 VAL B  12      -2.965  11.071  -9.046  1.00 19.04           C  
ATOM    266  CG2 VAL B  12      -2.623   8.940  -7.961  1.00 15.35           C  
ATOM    267  N   GLU B  13       0.623   8.539  -7.212  1.00 13.57           N  
ATOM    268  CA  GLU B  13       1.519   7.952  -6.268  1.00 15.31           C  
ATOM    269  C   GLU B  13       2.802   8.719  -6.222  1.00 14.02           C  
ATOM    270  O   GLU B  13       3.336   8.930  -5.142  1.00 13.80           O  
ATOM    271  CB  GLU B  13       1.798   6.473  -6.591  1.00 16.03           C  
ATOM    272  CG  GLU B  13       0.589   5.482  -6.419  1.00 19.92           C  
ATOM    273  CD  GLU B  13       0.540   4.939  -5.017  1.00 23.03           C  
ATOM    274  OE1 GLU B  13       1.482   5.205  -4.227  1.00 25.06           O  
ATOM    275  OE2 GLU B  13      -0.437   4.202  -4.701  1.00 25.43           O  
ATOM    276  N   ALA B  14       3.299   9.115  -7.385  1.00 15.48           N  
ATOM    277  CA  ALA B  14       4.583   9.911  -7.448  1.00 14.38           C  
ATOM    278  C   ALA B  14       4.362  11.297  -6.856  1.00 14.47           C  
ATOM    279  O   ALA B  14       5.110  11.717  -5.949  1.00 14.57           O  
ATOM    280  CB  ALA B  14       5.112   9.984  -8.760  1.00 15.77           C  
ATOM    281  N   LEU B  15       3.273  11.954  -7.217  1.00 14.35           N  
ATOM    282  CA  LEU B  15       2.917  13.255  -6.565  1.00 14.87           C  
ATOM    283  C   LEU B  15       2.833  13.156  -5.049  1.00 14.60           C  
ATOM    284  O   LEU B  15       3.360  13.995  -4.308  1.00 13.94           O  
ATOM    285  CB  LEU B  15       1.576  13.797  -7.099  1.00 15.55           C  
ATOM    286  CG  LEU B  15       1.522  14.408  -8.454  1.00 14.17           C  
ATOM    287  CD1 LEU B  15       0.065  14.636  -8.837  1.00 18.15           C  
ATOM    288  CD2 LEU B  15       2.390  15.642  -8.613  1.00 10.56           C  
ATOM    289  N   TYR B  16       2.146  12.130  -4.571  1.00 15.16           N  
ATOM    290  CA  TYR B  16       2.101  11.877  -3.145  1.00 13.21           C  
ATOM    291  C   TYR B  16       3.521  11.758  -2.534  1.00 14.73           C  
ATOM    292  O   TYR B  16       3.859  12.315  -1.449  1.00 10.43           O  
ATOM    293  CB  TYR B  16       1.321  10.589  -2.850  1.00 13.88           C  
ATOM    294  CG  TYR B  16       1.371  10.203  -1.379  1.00 13.76           C  
ATOM    295  CD1 TYR B  16       0.634  10.873  -0.446  1.00 14.87           C  
ATOM    296  CD2 TYR B  16       2.154   9.161  -0.938  1.00 16.06           C  
ATOM    297  CE1 TYR B  16       0.704  10.552   0.863  1.00 17.40           C  
ATOM    298  CE2 TYR B  16       2.236   8.846   0.385  1.00 16.52           C  
ATOM    299  CZ  TYR B  16       1.506   9.544   1.298  1.00 16.75           C  
ATOM    300  OH  TYR B  16       1.584   9.205   2.683  1.00 20.78           O  
ATOM    301  N   LEU B  17       4.374  10.980  -3.228  1.00 15.25           N  
ATOM    302  CA  LEU B  17       5.747  10.779  -2.704  1.00 16.64           C  
ATOM    303  C   LEU B  17       6.551  12.087  -2.555  1.00 16.41           C  
ATOM    304  O   LEU B  17       7.145  12.386  -1.506  1.00 16.00           O  
ATOM    305  CB  LEU B  17       6.515   9.854  -3.610  1.00 17.59           C  
ATOM    306  CG  LEU B  17       7.745   9.073  -3.161  1.00 22.62           C  
ATOM    307  CD1 LEU B  17       8.731   9.983  -2.478  1.00 27.60           C  
ATOM    308  CD2 LEU B  17       7.383   7.873  -2.318  1.00 27.60           C  
ATOM    309  N  AVAL B  18       6.531  12.851  -3.631  0.50 15.85           N  
ATOM    310  N  BVAL B  18       6.582  12.879  -3.609  0.50 15.61           N  
ATOM    311  CA AVAL B  18       7.264  14.086  -3.807  0.50 16.14           C  
ATOM    312  CA BVAL B  18       7.367  14.102  -3.632  0.50 15.49           C  
ATOM    313  C  AVAL B  18       6.751  15.262  -2.982  0.50 16.32           C  
ATOM    314  C  BVAL B  18       6.756  15.284  -2.900  0.50 16.05           C  
ATOM    315  O  AVAL B  18       7.537  16.033  -2.406  0.50 15.76           O  
ATOM    316  O  BVAL B  18       7.486  16.108  -2.322  0.50 15.11           O  
ATOM    317  CB AVAL B  18       7.151  14.399  -5.341  0.50 16.47           C  
ATOM    318  CB BVAL B  18       7.562  14.502  -5.101  0.50 16.08           C  
ATOM    319  CG1AVAL B  18       7.181  15.926  -5.665  0.50 17.56           C  
ATOM    320  CG1BVAL B  18       8.444  13.467  -5.784  0.50 14.50           C  
ATOM    321  CG2AVAL B  18       8.229  13.635  -6.095  0.50 16.43           C  
ATOM    322  CG2BVAL B  18       6.175  14.677  -5.817  0.50 16.08           C  
ATOM    323  N   CYS B  19       5.422  15.395  -2.932  1.00 16.84           N  
ATOM    324  CA  CYS B  19       4.739  16.531  -2.229  1.00 16.23           C  
ATOM    325  C   CYS B  19       4.485  16.262  -0.802  1.00 17.21           C  
ATOM    326  O   CYS B  19       4.542  17.173  -0.034  1.00 14.96           O  
ATOM    327  CB  CYS B  19       3.411  16.888  -2.858  1.00 14.16           C  
ATOM    328  SG  CYS B  19       3.562  17.352  -4.571  1.00 15.84           S  
ATOM    329  N   GLY B  20       4.056  15.035  -0.507  1.00 20.17           N  
ATOM    330  CA  GLY B  20       3.620  14.630   0.798  1.00 19.88           C  
ATOM    331  C   GLY B  20       2.690  15.560   1.543  1.00 21.74           C  
ATOM    332  O   GLY B  20       1.606  15.892   1.049  1.00 21.37           O  
ATOM    333  N   GLU B  21       3.144  15.971   2.734  1.00 21.41           N  
ATOM    334  CA  GLU B  21       2.438  16.922   3.597  1.00 21.84           C  
ATOM    335  C   GLU B  21       2.013  18.291   2.970  1.00 20.31           C  
ATOM    336  O   GLU B  21       1.011  18.913   3.408  1.00 19.89           O  
ATOM    337  CB  GLU B  21       3.270  17.202   4.800  1.00 24.17           C  
ATOM    338  CG  GLU B  21       4.663  17.731   4.470  1.00 28.37           C  
ATOM    339  CD  GLU B  21       5.444  18.033   5.758  1.00 34.70           C  
ATOM    340  OE1 GLU B  21       4.903  18.862   6.526  1.00 38.26           O  
ATOM    341  OE2 GLU B  21       6.563  17.447   5.995  1.00 36.51           O  
ATOM    342  N  AARG B  22       2.780  18.739   1.976  0.50 18.78           N  
ATOM    343  N  BARG B  22       2.754  18.739   1.961  0.50 18.36           N  
ATOM    344  CA AARG B  22       2.492  19.972   1.286  0.50 18.43           C  
ATOM    345  CA BARG B  22       2.447  19.996   1.330  0.50 17.77           C  
ATOM    346  C  AARG B  22       1.106  19.829   0.605  0.50 17.88           C  
ATOM    347  C  BARG B  22       1.162  19.863   0.493  0.50 17.56           C  
ATOM    348  O  AARG B  22       0.309  20.791   0.547  0.50 18.07           O  
ATOM    349  O  BARG B  22       0.528  20.890   0.161  0.50 17.89           O  
ATOM    350  CB AARG B  22       3.556  20.230   0.220  0.50 18.88           C  
ATOM    351  CB BARG B  22       3.555  20.399   0.393  0.50 17.87           C  
ATOM    352  CG AARG B  22       4.982  20.416   0.712  0.50 19.16           C  
ATOM    353  CG BARG B  22       4.926  20.125   0.856  0.50 17.08           C  
ATOM    354  CD AARG B  22       5.958  20.820  -0.393  0.50 19.24           C  
ATOM    355  CD BARG B  22       5.901  20.540  -0.200  0.50 16.49           C  
ATOM    356  NE AARG B  22       6.650  19.659  -0.983  0.50 18.79           N  
ATOM    357  NE BARG B  22       5.517  21.735  -0.953  0.50 15.58           N  
ATOM    358  CZ AARG B  22       7.536  19.710  -1.989  0.50 18.01           C  
ATOM    359  CZ BARG B  22       6.124  22.120  -2.067  0.50 14.04           C  
ATOM    360  NH1AARG B  22       8.093  18.606  -2.431  0.50 13.93           N  
ATOM    361  NH1BARG B  22       5.744  23.228  -2.733  0.50 12.61           N  
ATOM    362  NH2AARG B  22       7.899  20.871  -2.533  0.50 18.32           N  
ATOM    363  NH2BARG B  22       7.103  21.356  -2.543  0.50 12.73           N  
ATOM    364  N   GLY B  23       0.833  18.619   0.113  1.00 16.40           N  
ATOM    365  CA  GLY B  23      -0.411  18.312  -0.603  1.00 15.46           C  
ATOM    366  C   GLY B  23      -0.132  18.594  -2.031  1.00 14.40           C  
ATOM    367  O   GLY B  23       0.945  19.035  -2.361  1.00 13.27           O  
ATOM    368  N   PHE B  24      -1.074  18.295  -2.899  1.00 13.70           N  
ATOM    369  CA  PHE B  24      -0.831  18.482  -4.342  1.00 13.84           C  
ATOM    370  C   PHE B  24      -2.186  18.530  -5.004  1.00 13.13           C  
ATOM    371  O   PHE B  24      -3.264  18.290  -4.415  1.00 14.56           O  
ATOM    372  CB  PHE B  24       0.015  17.349  -4.892  1.00 14.53           C  
ATOM    373  CG  PHE B  24      -0.620  15.969  -4.759  1.00 13.03           C  
ATOM    374  CD1 PHE B  24      -0.259  15.062  -3.713  1.00 12.20           C  
ATOM    375  CD2 PHE B  24      -1.564  15.562  -5.682  1.00 11.17           C  
ATOM    376  CE1 PHE B  24      -0.836  13.811  -3.668  1.00 16.00           C  
ATOM    377  CE2 PHE B  24      -2.151  14.303  -5.598  1.00 14.26           C  
ATOM    378  CZ  PHE B  24      -1.790  13.424  -4.609  1.00 12.48           C  
ATOM    379  N   PHE B  25      -2.144  18.899  -6.235  1.00 14.58           N  
ATOM    380  CA  PHE B  25      -3.327  18.811  -7.079  1.00 13.23           C  
ATOM    381  C   PHE B  25      -3.002  17.943  -8.289  1.00 15.52           C  
ATOM    382  O   PHE B  25      -1.916  18.050  -8.918  1.00 13.88           O  
ATOM    383  CB  PHE B  25      -3.830  20.206  -7.509  1.00 14.00           C  
ATOM    384  CG  PHE B  25      -2.778  21.087  -8.134  1.00 14.22           C  
ATOM    385  CD1 PHE B  25      -1.952  21.884  -7.336  1.00 14.55           C  
ATOM    386  CD2 PHE B  25      -2.674  21.183  -9.493  1.00 12.31           C  
ATOM    387  CE1 PHE B  25      -0.957  22.659  -7.919  1.00 15.90           C  
ATOM    388  CE2 PHE B  25      -1.699  21.949 -10.089  1.00 15.30           C  
ATOM    389  CZ  PHE B  25      -0.859  22.715  -9.344  1.00 13.77           C  
ATOM    390  N   TYR B  26      -3.978  17.120  -8.628  1.00 14.77           N  
ATOM    391  CA  TYR B  26      -3.913  16.297  -9.770  1.00 14.63           C  
ATOM    392  C   TYR B  26      -5.054  16.769 -10.622  1.00 15.35           C  
ATOM    393  O   TYR B  26      -6.214  16.546 -10.286  1.00 15.42           O  
ATOM    394  CB  TYR B  26      -4.094  14.881  -9.355  1.00 15.98           C  
ATOM    395  CG  TYR B  26      -4.247  14.001 -10.553  1.00 13.90           C  
ATOM    396  CD1 TYR B  26      -5.406  13.315 -10.781  1.00 14.31           C  
ATOM    397  CD2 TYR B  26      -3.208  13.872 -11.450  1.00 15.77           C  
ATOM    398  CE1 TYR B  26      -5.556  12.525 -11.991  1.00 14.24           C  
ATOM    399  CE2 TYR B  26      -3.349  13.130 -12.612  1.00 18.47           C  
ATOM    400  CZ  TYR B  26      -4.515  12.409 -12.821  1.00 16.37           C  
ATOM    401  OH  TYR B  26      -4.662  11.642 -13.979  1.00 22.77           O  
ATOM    402  N   THR B  27      -4.743  17.425 -11.725  1.00 14.83           N  
ATOM    403  CA  THR B  27      -5.739  18.117 -12.528  1.00 16.84           C  
ATOM    404  C   THR B  27      -5.436  17.771 -13.998  1.00 16.83           C  
ATOM    405  O   THR B  27      -4.810  18.555 -14.743  1.00 19.85           O  
ATOM    406  CB  THR B  27      -5.717  19.628 -12.288  1.00 16.86           C  
ATOM    407  OG1 THR B  27      -4.355  20.143 -12.481  1.00 24.52           O  
ATOM    408  CG2 THR B  27      -6.260  19.995 -10.856  1.00 15.63           C  
ATOM    409  N   PRO B  28      -5.838  16.571 -14.411  1.00 17.60           N  
ATOM    410  CA  PRO B  28      -5.581  16.117 -15.794  1.00 17.97           C  
ATOM    411  C   PRO B  28      -6.234  16.939 -16.905  1.00 19.68           C  
ATOM    412  O   PRO B  28      -5.702  16.935 -18.031  1.00 19.81           O  
ATOM    413  CB  PRO B  28      -6.213  14.735 -15.816  1.00 19.48           C  
ATOM    414  CG  PRO B  28      -6.972  14.579 -14.458  1.00 17.51           C  
ATOM    415  CD  PRO B  28      -6.420  15.524 -13.559  1.00 16.77           C  
ATOM    416  N   LYS B  29      -7.335  17.666 -16.707  1.00 19.06           N  
ATOM    417  CA  LYS B  29      -7.771  18.580 -17.780  1.00 22.50           C  
ATOM    418  C   LYS B  29      -6.967  19.890 -18.097  1.00 22.08           C  
ATOM    419  O   LYS B  29      -7.228  20.499 -19.147  1.00 22.57           O  
ATOM    420  CB  LYS B  29      -9.312  18.893 -17.764  1.00 23.57           C  
ATOM    421  CG  LYS B  29     -10.263  17.695 -17.756  1.00 29.96           C  
ATOM    422  CD  LYS B  29     -10.326  16.988 -19.098  1.00 37.01           C  
ATOM    423  CE  LYS B  29     -11.577  17.240 -19.914  1.00 40.63           C  
ATOM    424  NZ  LYS B  29     -11.434  17.506 -21.409  1.00 41.23           N  
ATOM    425  N  ATHR B  30      -6.344  20.232 -16.982  0.50 21.25           N  
ATOM    426  N  BTHR B  30      -6.070  19.977 -17.115  0.50 21.06           N  
ATOM    427  CA ATHR B  30      -5.023  20.912 -16.957  0.50 20.31           C  
ATOM    428  CA BTHR B  30      -5.141  21.105 -16.880  0.50 19.44           C  
ATOM    429  C  ATHR B  30      -4.926  22.042 -15.951  0.50 19.32           C  
ATOM    430  C  BTHR B  30      -5.888  22.287 -16.352  0.50 19.05           C  
ATOM    431  O  ATHR B  30      -5.504  21.960 -14.889  0.50 17.74           O  
ATOM    432  O  BTHR B  30      -6.416  22.190 -15.225  0.50 17.70           O  
ATOM    433  CB ATHR B  30      -4.501  21.382 -18.276  0.50 20.19           C  
ATOM    434  CB BTHR B  30      -4.002  21.309 -17.948  0.50 19.11           C  
ATOM    435  OG1ATHR B  30      -3.637  20.369 -18.772  0.50 20.32           O  
ATOM    436  OG1BTHR B  30      -4.413  22.076 -19.088  0.50 16.52           O  
ATOM    437  CG2ATHR B  30      -3.694  22.604 -18.052  0.50 20.22           C  
ATOM    438  CG2BTHR B  30      -3.533  19.978 -18.352  0.50 17.69           C  
TER     439      THR B  30                                                      
ATOM    440  N   GLY C   1      -9.032  16.719   9.019  1.00 14.52           N  
ATOM    441  CA  GLY C   1      -9.543  16.808   7.617  1.00 14.85           C  
ATOM    442  C   GLY C   1      -9.711  15.414   7.054  1.00 15.89           C  
ATOM    443  O   GLY C   1      -9.628  14.475   7.813  1.00 16.91           O  
ATOM    444  N   ILE C   2      -9.993  15.313   5.721  1.00 17.04           N  
ATOM    445  CA  ILE C   2     -10.283  14.063   5.088  1.00 16.64           C  
ATOM    446  C   ILE C   2      -9.120  13.060   5.143  1.00 17.99           C  
ATOM    447  O   ILE C   2      -9.294  11.877   5.470  1.00 17.84           O  
ATOM    448  CB  ILE C   2     -10.792  14.336   3.625  1.00 16.83           C  
ATOM    449  CG1 ILE C   2     -11.436  13.047   3.098  1.00 19.95           C  
ATOM    450  CG2 ILE C   2      -9.636  14.928   2.765  1.00 13.71           C  
ATOM    451  CD1 ILE C   2     -12.700  12.644   3.826  1.00 20.61           C  
ATOM    452  N   VAL C   3      -7.927  13.574   4.868  1.00 18.32           N  
ATOM    453  CA  VAL C   3      -6.705  12.806   4.909  1.00 19.40           C  
ATOM    454  C   VAL C   3      -6.590  12.130   6.267  1.00 19.66           C  
ATOM    455  O   VAL C   3      -6.364  10.939   6.341  1.00 22.73           O  
ATOM    456  CB  VAL C   3      -5.528  13.703   4.510  1.00 17.71           C  
ATOM    457  CG1 VAL C   3      -4.163  13.044   4.617  1.00 20.62           C  
ATOM    458  CG2 VAL C   3      -5.697  14.141   3.107  1.00 18.85           C  
ATOM    459  N   GLU C   4      -6.828  12.857   7.334  1.00 20.72           N  
ATOM    460  CA  GLU C   4      -6.718  12.346   8.711  1.00 18.85           C  
ATOM    461  C   GLU C   4      -7.923  11.470   9.131  1.00 19.20           C  
ATOM    462  O   GLU C   4      -7.779  10.360   9.703  1.00 16.03           O  
ATOM    463  CB  GLU C   4      -6.502  13.507   9.701  1.00 19.37           C  
ATOM    464  CG  GLU C   4      -5.231  14.479   9.404  1.00 18.90           C  
ATOM    465  CD  GLU C   4      -5.328  15.258   8.097  1.00 21.47           C  
ATOM    466  OE1 GLU C   4      -6.459  15.738   7.740  1.00 19.63           O  
ATOM    467  OE2 GLU C   4      -4.250  15.394   7.425  1.00 18.93           O  
ATOM    468  N   GLN C   5      -9.116  11.929   8.753  1.00 19.07           N  
ATOM    469  CA  GLN C   5     -10.311  11.137   8.997  1.00 18.12           C  
ATOM    470  C   GLN C   5     -10.311   9.701   8.443  1.00 17.18           C  
ATOM    471  O   GLN C   5     -10.690   8.774   9.132  1.00 16.94           O  
ATOM    472  CB  GLN C   5     -11.501  11.860   8.457  1.00 19.30           C  
ATOM    473  CG  GLN C   5     -12.797  11.182   8.814  1.00 21.13           C  
ATOM    474  CD  GLN C   5     -13.912  11.585   7.881  1.00 24.59           C  
ATOM    475  OE1 GLN C   5     -13.997  12.756   7.487  1.00 30.75           O  
ATOM    476  NE2 GLN C   5     -14.772  10.638   7.510  1.00 25.15           N  
ATOM    477  N   CYS C   6      -9.947   9.534   7.187  1.00 17.35           N  
ATOM    478  CA  CYS C   6      -9.948   8.283   6.532  1.00 15.75           C  
ATOM    479  C   CYS C   6      -8.958   7.360   7.171  1.00 16.12           C  
ATOM    480  O   CYS C   6      -9.132   6.143   7.135  1.00 14.65           O  
ATOM    481  CB  CYS C   6      -9.536   8.501   5.038  1.00 17.62           C  
ATOM    482  SG  CYS C   6     -10.781   9.300   3.994  1.00 15.83           S  
ATOM    483  N   CYS C   7      -7.884   7.911   7.722  1.00 16.57           N  
ATOM    484  CA  CYS C   7      -6.863   7.083   8.379  1.00 16.74           C  
ATOM    485  C   CYS C   7      -7.128   6.755   9.842  1.00 17.58           C  
ATOM    486  O   CYS C   7      -7.051   5.590  10.274  1.00 18.03           O  
ATOM    487  CB  CYS C   7      -5.512   7.751   8.281  1.00 16.47           C  
ATOM    488  SG  CYS C   7      -4.207   6.694   8.837  1.00 21.15           S  
ATOM    489  N   THR C   8      -7.410   7.768  10.640  1.00 18.46           N  
ATOM    490  CA  THR C   8      -7.735   7.541  12.056  1.00 19.55           C  
ATOM    491  C   THR C   8      -9.091   6.974  12.290  1.00 19.92           C  
ATOM    492  O   THR C   8      -9.322   6.274  13.335  1.00 20.76           O  
ATOM    493  CB  THR C   8      -7.699   8.813  12.912  1.00 21.19           C  
ATOM    494  OG1 THR C   8      -8.754   9.703  12.458  1.00 19.70           O  
ATOM    495  CG2 THR C   8      -6.330   9.479  12.804  1.00 22.44           C  
ATOM    496  N  ASER C   9     -10.043   7.264  11.407  0.50 19.45           N  
ATOM    497  N  BSER C   9     -10.023   7.248  11.385  0.50 18.97           N  
ATOM    498  CA ASER C   9     -11.373   6.677  11.544  0.50 19.18           C  
ATOM    499  CA BSER C   9     -11.365   6.723  11.525  0.50 18.28           C  
ATOM    500  C  ASER C   9     -11.784   5.943  10.279  0.50 17.78           C  
ATOM    501  C  BSER C   9     -11.778   5.960  10.278  0.50 17.27           C  
ATOM    502  O  ASER C   9     -11.097   5.008   9.864  0.50 16.11           O  
ATOM    503  O  BSER C   9     -11.086   5.024   9.875  0.50 15.63           O  
ATOM    504  CB ASER C   9     -12.401   7.742  12.028  0.50 19.67           C  
ATOM    505  CB BSER C   9     -12.334   7.867  11.916  0.50 18.43           C  
ATOM    506  OG ASER C   9     -12.833   8.603  10.992  0.50 22.47           O  
ATOM    507  OG BSER C   9     -13.579   7.343  12.351  0.50 18.67           O  
ATOM    508  N   ILE C  10     -12.917   6.313   9.694  1.00 17.82           N  
ATOM    509  CA  ILE C  10     -13.314   5.746   8.385  1.00 17.99           C  
ATOM    510  C   ILE C  10     -13.905   6.858   7.629  1.00 17.18           C  
ATOM    511  O   ILE C  10     -14.227   7.887   8.226  1.00 18.12           O  
ATOM    512  CB  ILE C  10     -14.273   4.510   8.477  1.00 18.67           C  
ATOM    513  CG1 ILE C  10     -15.549   4.874   9.246  1.00 21.39           C  
ATOM    514  CG2 ILE C  10     -13.604   3.364   9.242  1.00 19.98           C  
ATOM    515  CD1 ILE C  10     -16.683   3.820   9.146  1.00 26.67           C  
ATOM    516  N   CYS C  11     -13.998   6.654   6.322  1.00 16.14           N  
ATOM    517  CA  CYS C  11     -14.592   7.646   5.433  1.00 16.30           C  
ATOM    518  C   CYS C  11     -15.295   6.969   4.347  1.00 15.40           C  
ATOM    519  O   CYS C  11     -14.982   5.840   4.006  1.00 17.87           O  
ATOM    520  CB  CYS C  11     -13.541   8.603   4.885  1.00 15.91           C  
ATOM    521  SG  CYS C  11     -12.227   7.908   3.809  1.00 15.44           S  
ATOM    522  N   SER C  12     -16.172   7.700   3.701  1.00 15.53           N  
ATOM    523  CA  SER C  12     -16.889   7.174   2.525  1.00 13.79           C  
ATOM    524  C   SER C  12     -16.415   7.683   1.220  1.00 14.78           C  
ATOM    525  O   SER C  12     -15.766   8.730   1.133  1.00 13.93           O  
ATOM    526  CB  SER C  12     -18.398   7.461   2.648  1.00 13.40           C  
ATOM    527  OG  SER C  12     -18.673   8.863   2.474  1.00 13.67           O  
ATOM    528  N   LEU C  13     -16.755   6.940   0.171  1.00 13.84           N  
ATOM    529  CA  LEU C  13     -16.389   7.364  -1.200  1.00 15.21           C  
ATOM    530  C   LEU C  13     -17.112   8.690  -1.546  1.00 14.95           C  
ATOM    531  O   LEU C  13     -16.606   9.491  -2.232  1.00 14.30           O  
ATOM    532  CB  LEU C  13     -16.723   6.263  -2.196  1.00 15.40           C  
ATOM    533  CG  LEU C  13     -15.834   4.981  -2.088  1.00 16.13           C  
ATOM    534  CD1 LEU C  13     -16.062   3.976  -3.208  1.00 16.94           C  
ATOM    535  CD2 LEU C  13     -14.383   5.264  -1.971  1.00 10.77           C  
ATOM    536  N   TYR C  14     -18.304   8.861  -0.977  1.00 15.27           N  
ATOM    537  CA  TYR C  14     -19.097  10.051  -1.175  1.00 13.88           C  
ATOM    538  C   TYR C  14     -18.358  11.229  -0.554  1.00 13.85           C  
ATOM    539  O   TYR C  14     -18.362  12.303  -1.133  1.00 14.10           O  
ATOM    540  CB  TYR C  14     -20.533   9.895  -0.614  1.00 14.28           C  
ATOM    541  CG  TYR C  14     -21.233   8.799  -1.273  1.00 15.70           C  
ATOM    542  CD1 TYR C  14     -21.798   9.015  -2.525  1.00 15.23           C  
ATOM    543  CD2 TYR C  14     -21.238   7.502  -0.778  1.00 17.52           C  
ATOM    544  CE1 TYR C  14     -22.420   8.002  -3.214  1.00 20.99           C  
ATOM    545  CE2 TYR C  14     -21.914   6.452  -1.506  1.00 18.84           C  
ATOM    546  CZ  TYR C  14     -22.471   6.729  -2.704  1.00 19.15           C  
ATOM    547  OH  TYR C  14     -23.078   5.771  -3.468  1.00 21.66           O  
ATOM    548  N   GLN C  15     -17.797  11.055   0.675  1.00 12.48           N  
ATOM    549  CA  GLN C  15     -16.963  12.094   1.282  1.00 13.23           C  
ATOM    550  C   GLN C  15     -15.717  12.379   0.467  1.00 13.08           C  
ATOM    551  O   GLN C  15     -15.339  13.550   0.320  1.00 15.25           O  
ATOM    552  CB  GLN C  15     -16.622  11.755   2.710  1.00 13.61           C  
ATOM    553  CG  GLN C  15     -17.813  11.644   3.670  1.00 12.78           C  
ATOM    554  CD  GLN C  15     -17.440  11.010   5.008  1.00 15.84           C  
ATOM    555  OE1 GLN C  15     -16.573  10.184   5.044  1.00 17.32           O  
ATOM    556  NE2 GLN C  15     -18.033  11.477   6.123  1.00 17.89           N  
ATOM    557  N   LEU C  16     -15.109  11.340  -0.096  1.00 13.67           N  
ATOM    558  CA  LEU C  16     -13.940  11.474  -0.960  1.00 13.66           C  
ATOM    559  C   LEU C  16     -14.257  12.352  -2.177  1.00 13.90           C  
ATOM    560  O   LEU C  16     -13.481  13.207  -2.585  1.00 11.45           O  
ATOM    561  CB  LEU C  16     -13.379  10.048  -1.348  1.00 13.15           C  
ATOM    562  CG  LEU C  16     -12.723   9.327  -0.099  1.00 11.86           C  
ATOM    563  CD1 LEU C  16     -11.837   8.219  -0.597  1.00 16.98           C  
ATOM    564  CD2 LEU C  16     -11.847  10.247   0.733  1.00 12.92           C  
ATOM    565  N   GLU C  17     -15.469  12.175  -2.682  1.00 15.69           N  
ATOM    566  CA  GLU C  17     -15.897  12.813  -3.902  1.00 16.44           C  
ATOM    567  C   GLU C  17     -15.894  14.323  -3.770  1.00 16.80           C  
ATOM    568  O   GLU C  17     -15.741  15.050  -4.779  1.00 17.94           O  
ATOM    569  CB  GLU C  17     -17.277  12.319  -4.270  1.00 17.59           C  
ATOM    570  CG  GLU C  17     -17.607  12.472  -5.712  1.00 18.86           C  
ATOM    571  CD  GLU C  17     -18.997  12.008  -6.043  1.00 22.10           C  
ATOM    572  OE1 GLU C  17     -19.861  11.777  -5.127  1.00 20.38           O  
ATOM    573  OE2 GLU C  17     -19.245  11.893  -7.225  1.00 24.46           O  
ATOM    574  N   ASN C  18     -15.996  14.815  -2.532  1.00 17.83           N  
ATOM    575  CA  ASN C  18     -15.959  16.253  -2.305  1.00 17.00           C  
ATOM    576  C   ASN C  18     -14.569  16.821  -2.641  1.00 17.50           C  
ATOM    577  O   ASN C  18     -14.415  18.035  -2.760  1.00 18.34           O  
ATOM    578  CB  ASN C  18     -16.335  16.587  -0.871  1.00 17.69           C  
ATOM    579  CG  ASN C  18     -17.731  16.134  -0.528  1.00 18.57           C  
ATOM    580  OD1 ASN C  18     -18.638  16.227  -1.330  1.00 23.86           O  
ATOM    581  ND2 ASN C  18     -17.887  15.586   0.627  1.00 19.75           N  
ATOM    582  N   TYR C  19     -13.568  15.957  -2.737  1.00 15.32           N  
ATOM    583  CA  TYR C  19     -12.245  16.466  -3.024  1.00 14.62           C  
ATOM    584  C   TYR C  19     -11.871  16.423  -4.529  1.00 15.36           C  
ATOM    585  O   TYR C  19     -10.847  16.782  -4.903  1.00 16.42           O  
ATOM    586  CB  TYR C  19     -11.239  15.809  -2.150  1.00 15.95           C  
ATOM    587  CG  TYR C  19     -11.544  16.162  -0.743  1.00 14.29           C  
ATOM    588  CD1 TYR C  19     -10.991  17.280  -0.164  1.00 15.89           C  
ATOM    589  CD2 TYR C  19     -12.504  15.463  -0.042  1.00 19.00           C  
ATOM    590  CE1 TYR C  19     -11.311  17.665   1.138  1.00 18.78           C  
ATOM    591  CE2 TYR C  19     -12.842  15.838   1.302  1.00 19.70           C  
ATOM    592  CZ  TYR C  19     -12.239  16.949   1.866  1.00 19.98           C  
ATOM    593  OH  TYR C  19     -12.541  17.335   3.183  1.00 23.14           O  
ATOM    594  N   CYS C  20     -12.751  15.915  -5.313  1.00 15.04           N  
ATOM    595  CA  CYS C  20     -12.620  16.038  -6.753  1.00 16.72           C  
ATOM    596  C   CYS C  20     -12.678  17.496  -7.260  1.00 18.18           C  
ATOM    597  O   CYS C  20     -13.288  18.364  -6.635  1.00 17.83           O  
ATOM    598  CB  CYS C  20     -13.667  15.212  -7.481  1.00 17.25           C  
ATOM    599  SG  CYS C  20     -13.820  13.509  -7.019  1.00 16.34           S  
ATOM    600  N   ASN C  21     -12.033  17.776  -8.398  1.00 20.44           N  
ATOM    601  CA  ASN C  21     -12.067  19.137  -8.920  1.00 23.00           C  
ATOM    602  C   ASN C  21     -13.331  19.329  -9.758  1.00 25.24           C  
ATOM    603  O   ASN C  21     -13.970  18.357 -10.210  1.00 26.96           O  
ATOM    604  CB  ASN C  21     -10.926  19.464  -9.831  1.00 23.83           C  
ATOM    605  CG  ASN C  21      -9.615  19.246  -9.247  1.00 24.76           C  
ATOM    606  OD1 ASN C  21      -8.834  18.461  -9.798  1.00 29.76           O  
ATOM    607  ND2 ASN C  21      -9.292  19.960  -8.184  1.00 26.31           N  
ATOM    608  OXT ASN C  21     -13.700  20.499 -10.037  1.00 28.15           O  
TER     609      ASN C  21                                                      
ATOM    610  N   PHE D   1     -21.658   1.128  -1.851  1.00 24.20           N  
ATOM    611  CA  PHE D   1     -20.229   1.229  -1.484  1.00 22.88           C  
ATOM    612  C   PHE D   1     -20.136   1.053   0.007  1.00 23.28           C  
ATOM    613  O   PHE D   1     -21.124   1.202   0.770  1.00 23.52           O  
ATOM    614  CB  PHE D   1     -19.655   2.584  -1.963  1.00 22.34           C  
ATOM    615  CG  PHE D   1     -19.837   2.843  -3.472  1.00 23.96           C  
ATOM    616  CD1 PHE D   1     -19.560   1.832  -4.415  1.00 23.27           C  
ATOM    617  CD2 PHE D   1     -20.182   4.093  -3.940  1.00 24.42           C  
ATOM    618  CE1 PHE D   1     -19.692   2.037  -5.765  1.00 24.20           C  
ATOM    619  CE2 PHE D   1     -20.326   4.325  -5.325  1.00 24.54           C  
ATOM    620  CZ  PHE D   1     -20.099   3.272  -6.234  1.00 25.33           C  
ATOM    621  N   VAL D   2     -18.947   0.646   0.420  1.00 22.98           N  
ATOM    622  CA  VAL D   2     -18.596   0.460   1.823  1.00 22.42           C  
ATOM    623  C   VAL D   2     -17.681   1.601   2.301  1.00 21.05           C  
ATOM    624  O   VAL D   2     -16.934   2.212   1.492  1.00 20.99           O  
ATOM    625  CB  VAL D   2     -17.858  -0.889   2.071  1.00 21.13           C  
ATOM    626  CG1 VAL D   2     -18.839  -2.083   1.998  1.00 19.71           C  
ATOM    627  CG2 VAL D   2     -16.572  -0.986   1.159  1.00 23.42           C  
ATOM    628  N   ASN D   3     -17.736   1.846   3.610  1.00 20.33           N  
ATOM    629  CA  ASN D   3     -16.798   2.733   4.264  1.00 20.27           C  
ATOM    630  C   ASN D   3     -15.387   2.217   4.188  1.00 19.85           C  
ATOM    631  O   ASN D   3     -15.184   1.011   4.036  1.00 19.84           O  
ATOM    632  CB  ASN D   3     -17.172   2.944   5.725  1.00 21.83           C  
ATOM    633  CG  ASN D   3     -18.462   3.734   5.901  1.00 24.75           C  
ATOM    634  OD1 ASN D   3     -19.354   3.336   6.699  1.00 29.26           O  
ATOM    635  ND2 ASN D   3     -18.609   4.806   5.146  1.00 30.69           N  
ATOM    636  N   GLN D   4     -14.428   3.134   4.340  1.00 18.48           N  
ATOM    637  CA  GLN D   4     -13.041   2.931   3.962  1.00 17.78           C  
ATOM    638  C   GLN D   4     -12.173   3.269   5.169  1.00 17.42           C  
ATOM    639  O   GLN D   4     -12.458   4.219   5.890  1.00 17.05           O  
ATOM    640  CB  GLN D   4     -12.770   3.927   2.874  1.00 19.08           C  
ATOM    641  CG  GLN D   4     -13.739   3.753   1.717  1.00 20.58           C  
ATOM    642  CD  GLN D   4     -13.417   2.447   0.938  1.00 27.52           C  
ATOM    643  OE1 GLN D   4     -12.276   2.242   0.497  1.00 33.64           O  
ATOM    644  NE2 GLN D   4     -14.414   1.605   0.741  1.00 26.87           N  
ATOM    645  N   HIS D   5     -11.099   2.544   5.329  1.00 16.05           N  
ATOM    646  CA  HIS D   5      -9.982   2.956   6.157  1.00 16.17           C  
ATOM    647  C   HIS D   5      -8.712   3.064   5.313  1.00 16.19           C  
ATOM    648  O   HIS D   5      -8.212   2.047   4.753  1.00 16.58           O  
ATOM    649  CB  HIS D   5      -9.923   1.991   7.344  1.00 17.66           C  
ATOM    650  CG  HIS D   5      -8.935   2.370   8.359  1.00 15.99           C  
ATOM    651  ND1 HIS D   5      -8.241   1.432   9.064  1.00 21.94           N  
ATOM    652  CD2 HIS D   5      -8.405   3.562   8.681  1.00 17.77           C  
ATOM    653  CE1 HIS D   5      -7.386   2.034   9.873  1.00 22.01           C  
ATOM    654  NE2 HIS D   5      -7.456   3.329   9.646  1.00 23.76           N  
ATOM    655  N   LEU D   6      -8.280   4.323   5.124  1.00 14.70           N  
ATOM    656  CA  LEU D   6      -7.308   4.665   4.178  1.00 15.28           C  
ATOM    657  C   LEU D   6      -6.271   5.605   4.777  1.00 14.90           C  
ATOM    658  O   LEU D   6      -6.576   6.752   5.109  1.00 14.91           O  
ATOM    659  CB  LEU D   6      -7.977   5.305   2.966  1.00 13.56           C  
ATOM    660  CG  LEU D   6      -9.061   4.643   2.116  1.00 14.15           C  
ATOM    661  CD1 LEU D   6      -9.605   5.622   1.058  1.00 13.90           C  
ATOM    662  CD2 LEU D   6      -8.598   3.334   1.464  1.00 14.96           C  
ATOM    663  N   CYS D   7      -5.040   5.076   4.868  1.00 15.13           N  
ATOM    664  CA  CYS D   7      -3.857   5.813   5.119  1.00 16.10           C  
ATOM    665  C   CYS D   7      -2.848   5.890   4.052  1.00 15.35           C  
ATOM    666  O   CYS D   7      -2.776   5.097   3.085  1.00 12.23           O  
ATOM    667  CB  CYS D   7      -3.134   5.244   6.349  1.00 18.68           C  
ATOM    668  SG  CYS D   7      -4.257   4.976   7.645  1.00 20.59           S  
ATOM    669  N   GLY D   8      -2.026   6.906   4.260  1.00 15.77           N  
ATOM    670  CA  GLY D   8      -1.025   7.290   3.341  1.00 15.35           C  
ATOM    671  C   GLY D   8      -1.415   7.332   1.871  1.00 15.14           C  
ATOM    672  O   GLY D   8      -2.426   7.918   1.442  1.00 15.32           O  
ATOM    673  N   SER D   9      -0.638   6.615   1.130  1.00 14.51           N  
ATOM    674  CA  SER D   9      -0.803   6.563  -0.348  1.00 15.13           C  
ATOM    675  C   SER D   9      -2.101   5.818  -0.730  1.00 15.15           C  
ATOM    676  O   SER D   9      -2.633   6.033  -1.799  1.00 15.59           O  
ATOM    677  CB  SER D   9       0.395   5.869  -0.920  1.00 16.02           C  
ATOM    678  OG  SER D   9       0.485   4.562  -0.389  1.00 18.81           O  
ATOM    679  N   HIS D  10      -2.697   5.027   0.198  1.00 15.74           N  
ATOM    680  CA  HIS D  10      -4.006   4.432  -0.115  1.00 15.57           C  
ATOM    681  C   HIS D  10      -5.139   5.421  -0.271  1.00 15.00           C  
ATOM    682  O   HIS D  10      -6.092   5.206  -1.162  1.00 15.98           O  
ATOM    683  CB  HIS D  10      -4.395   3.361   0.824  1.00 15.32           C  
ATOM    684  CG  HIS D  10      -3.385   2.282   0.892  1.00 14.88           C  
ATOM    685  ND1 HIS D  10      -3.167   1.431  -0.176  1.00 12.08           N  
ATOM    686  CD2 HIS D  10      -2.468   1.977   1.842  1.00  9.91           C  
ATOM    687  CE1 HIS D  10      -2.186   0.604   0.166  1.00 15.91           C  
ATOM    688  NE2 HIS D  10      -1.753   0.919   1.379  1.00 13.50           N  
ATOM    689  N   LEU D  11      -5.026   6.527   0.459  1.00 14.72           N  
ATOM    690  CA  LEU D  11      -5.990   7.610   0.272  1.00 14.10           C  
ATOM    691  C   LEU D  11      -5.966   8.213  -1.134  1.00 12.90           C  
ATOM    692  O   LEU D  11      -6.984   8.458  -1.687  1.00 11.63           O  
ATOM    693  CB  LEU D  11      -5.801   8.727   1.271  1.00 14.96           C  
ATOM    694  CG  LEU D  11      -6.822   9.866   1.055  1.00 14.31           C  
ATOM    695  CD1 LEU D  11      -8.291   9.353   0.899  1.00 12.22           C  
ATOM    696  CD2 LEU D  11      -6.703  10.757   2.322  1.00 13.79           C  
ATOM    697  N   VAL D  12      -4.764   8.467  -1.644  1.00 13.84           N  
ATOM    698  CA  VAL D  12      -4.524   9.029  -2.918  1.00 14.34           C  
ATOM    699  C   VAL D  12      -5.005   8.102  -4.064  1.00 14.32           C  
ATOM    700  O   VAL D  12      -5.651   8.526  -4.985  1.00 14.01           O  
ATOM    701  CB  VAL D  12      -3.082   9.471  -3.047  1.00 14.02           C  
ATOM    702  CG1 VAL D  12      -2.648   9.593  -4.513  1.00 15.90           C  
ATOM    703  CG2 VAL D  12      -2.861  10.758  -2.229  1.00 14.76           C  
ATOM    704  N   GLU D  13      -4.726   6.821  -3.942  1.00 14.74           N  
ATOM    705  CA  GLU D  13      -5.322   5.837  -4.770  1.00 15.51           C  
ATOM    706  C   GLU D  13      -6.861   5.910  -4.809  1.00 14.93           C  
ATOM    707  O   GLU D  13      -7.468   5.828  -5.876  1.00 14.40           O  
ATOM    708  CB  GLU D  13      -4.883   4.454  -4.213  1.00 16.04           C  
ATOM    709  CG  GLU D  13      -3.394   4.109  -4.514  1.00 19.57           C  
ATOM    710  CD  GLU D  13      -3.142   3.920  -6.030  1.00 25.31           C  
ATOM    711  OE1 GLU D  13      -4.137   3.777  -6.772  1.00 29.15           O  
ATOM    712  OE2 GLU D  13      -1.942   3.887  -6.480  1.00 28.75           O  
ATOM    713  N   ALA D  14      -7.480   5.958  -3.624  1.00 14.45           N  
ATOM    714  CA  ALA D  14      -8.924   6.041  -3.549  1.00 13.48           C  
ATOM    715  C   ALA D  14      -9.466   7.328  -4.194  1.00 12.76           C  
ATOM    716  O   ALA D  14     -10.432   7.298  -4.935  1.00 13.03           O  
ATOM    717  CB  ALA D  14      -9.409   5.941  -2.122  1.00 13.48           C  
ATOM    718  N   LEU D  15      -8.860   8.452  -3.926  1.00 12.69           N  
ATOM    719  CA  LEU D  15      -9.221   9.695  -4.627  1.00 12.81           C  
ATOM    720  C   LEU D  15      -9.103   9.627  -6.157  1.00 14.00           C  
ATOM    721  O   LEU D  15      -9.935  10.161  -6.918  1.00 13.48           O  
ATOM    722  CB  LEU D  15      -8.375  10.864  -4.062  1.00 12.51           C  
ATOM    723  CG  LEU D  15      -8.821  11.421  -2.713  1.00 11.21           C  
ATOM    724  CD1 LEU D  15      -7.675  12.324  -2.239  1.00 10.93           C  
ATOM    725  CD2 LEU D  15     -10.206  12.141  -2.737  1.00  7.33           C  
ATOM    726  N   TYR D  16      -8.056   8.961  -6.592  1.00 15.39           N  
ATOM    727  CA  TYR D  16      -7.813   8.770  -7.993  1.00 15.14           C  
ATOM    728  C   TYR D  16      -8.980   8.031  -8.718  1.00 16.59           C  
ATOM    729  O   TYR D  16      -9.418   8.406  -9.736  1.00 15.73           O  
ATOM    730  CB  TYR D  16      -6.524   7.984  -8.218  1.00 15.82           C  
ATOM    731  CG  TYR D  16      -6.318   7.769  -9.692  1.00 15.22           C  
ATOM    732  CD1 TYR D  16      -5.925   8.794 -10.484  1.00 16.11           C  
ATOM    733  CD2 TYR D  16      -6.621   6.579 -10.275  1.00 14.37           C  
ATOM    734  CE1 TYR D  16      -5.777   8.645 -11.820  1.00 18.75           C  
ATOM    735  CE2 TYR D  16      -6.501   6.400 -11.675  1.00 16.43           C  
ATOM    736  CZ  TYR D  16      -6.048   7.460 -12.426  1.00 17.21           C  
ATOM    737  OH  TYR D  16      -5.842   7.343 -13.779  1.00 20.63           O  
ATOM    738  N   LEU D  17      -9.387   6.947  -8.121  1.00 17.11           N  
ATOM    739  CA  LEU D  17     -10.467   6.110  -8.671  1.00 16.70           C  
ATOM    740  C   LEU D  17     -11.780   6.825  -8.570  1.00 15.99           C  
ATOM    741  O   LEU D  17     -12.555   6.816  -9.484  1.00 15.50           O  
ATOM    742  CB  LEU D  17     -10.563   4.794  -7.910  1.00 17.69           C  
ATOM    743  CG  LEU D  17      -9.391   3.913  -8.258  1.00 20.73           C  
ATOM    744  CD1 LEU D  17      -9.190   2.819  -7.079  1.00 26.73           C  
ATOM    745  CD2 LEU D  17      -9.568   3.339  -9.684  1.00 24.26           C  
ATOM    746  N   VAL D  18     -12.021   7.476  -7.439  1.00 15.68           N  
ATOM    747  CA  VAL D  18     -13.248   8.216  -7.274  1.00 15.25           C  
ATOM    748  C   VAL D  18     -13.428   9.405  -8.209  1.00 15.12           C  
ATOM    749  O   VAL D  18     -14.512   9.653  -8.646  1.00 16.05           O  
ATOM    750  CB  VAL D  18     -13.473   8.665  -5.808  1.00 13.48           C  
ATOM    751  CG1 VAL D  18     -14.478   9.813  -5.757  1.00 14.12           C  
ATOM    752  CG2 VAL D  18     -13.856   7.508  -4.930  1.00 15.44           C  
ATOM    753  N   CYS D  19     -12.375  10.186  -8.438  1.00 15.43           N  
ATOM    754  CA  CYS D  19     -12.520  11.407  -9.144  1.00 17.29           C  
ATOM    755  C   CYS D  19     -12.301  11.253 -10.647  1.00 19.07           C  
ATOM    756  O   CYS D  19     -12.734  12.102 -11.398  1.00 19.13           O  
ATOM    757  CB  CYS D  19     -11.587  12.454  -8.566  1.00 16.91           C  
ATOM    758  SG  CYS D  19     -11.936  12.779  -6.853  1.00 16.64           S  
ATOM    759  N   GLY D  20     -11.550  10.261 -11.075  1.00 21.62           N  
ATOM    760  CA  GLY D  20     -11.324  10.104 -12.493  1.00 23.43           C  
ATOM    761  C   GLY D  20     -10.642  11.286 -13.122  1.00 25.62           C  
ATOM    762  O   GLY D  20      -9.678  11.856 -12.544  1.00 26.16           O  
ATOM    763  N   GLU D  21     -11.132  11.633 -14.315  1.00 26.85           N  
ATOM    764  CA  GLU D  21     -10.598  12.739 -15.150  1.00 27.93           C  
ATOM    765  C   GLU D  21     -10.865  14.124 -14.602  1.00 25.74           C  
ATOM    766  O   GLU D  21     -10.270  15.115 -15.061  1.00 22.02           O  
ATOM    767  CB  GLU D  21     -11.122  12.626 -16.602  1.00 29.29           C  
ATOM    768  CG  GLU D  21     -12.686  12.529 -16.795  1.00 33.75           C  
ATOM    769  CD  GLU D  21     -13.127  12.672 -18.236  1.00 38.76           C  
ATOM    770  OE1 GLU D  21     -12.342  12.219 -19.095  1.00 43.93           O  
ATOM    771  OE2 GLU D  21     -14.232  13.221 -18.529  1.00 38.32           O  
ATOM    772  N   ARG D  22     -11.752  14.185 -13.589  1.00 25.24           N  
ATOM    773  CA  ARG D  22     -11.953  15.414 -12.810  1.00 24.45           C  
ATOM    774  C   ARG D  22     -10.734  15.798 -11.981  1.00 23.06           C  
ATOM    775  O   ARG D  22     -10.406  16.998 -11.830  1.00 23.95           O  
ATOM    776  CB  ARG D  22     -13.131  15.271 -11.856  1.00 24.41           C  
ATOM    777  CG  ARG D  22     -14.502  15.166 -12.531  1.00 27.77           C  
ATOM    778  CD  ARG D  22     -15.568  15.075 -11.439  1.00 30.27           C  
ATOM    779  NE  ARG D  22     -15.633  13.697 -10.950  1.00 31.19           N  
ATOM    780  CZ  ARG D  22     -16.311  13.266  -9.882  1.00 30.62           C  
ATOM    781  NH1 ARG D  22     -16.258  11.992  -9.589  1.00 28.28           N  
ATOM    782  NH2 ARG D  22     -17.008  14.102  -9.115  1.00 31.02           N  
ATOM    783  N   GLY D  23     -10.084  14.792 -11.402  1.00 21.59           N  
ATOM    784  CA  GLY D  23      -8.903  15.005 -10.651  1.00 18.61           C  
ATOM    785  C   GLY D  23      -9.362  15.378  -9.288  1.00 18.15           C  
ATOM    786  O   GLY D  23     -10.562  15.377  -8.995  1.00 17.19           O  
ATOM    787  N   PHE D  24      -8.392  15.687  -8.448  1.00 16.38           N  
ATOM    788  CA  PHE D  24      -8.628  15.976  -7.101  1.00 14.37           C  
ATOM    789  C   PHE D  24      -7.528  16.779  -6.506  1.00 13.96           C  
ATOM    790  O   PHE D  24      -6.476  16.924  -7.056  1.00 14.09           O  
ATOM    791  CB  PHE D  24      -8.756  14.651  -6.345  1.00 13.86           C  
ATOM    792  CG  PHE D  24      -7.518  13.758  -6.451  1.00 12.74           C  
ATOM    793  CD1 PHE D  24      -7.363  12.866  -7.500  1.00 10.33           C  
ATOM    794  CD2 PHE D  24      -6.556  13.776  -5.408  1.00 12.97           C  
ATOM    795  CE1 PHE D  24      -6.283  12.090  -7.583  1.00 13.34           C  
ATOM    796  CE2 PHE D  24      -5.450  12.998  -5.467  1.00 11.88           C  
ATOM    797  CZ  PHE D  24      -5.306  12.118  -6.557  1.00 12.30           C  
ATOM    798  N  APHE D  25      -7.825  17.330  -5.348  0.50 14.46           N  
ATOM    799  N  BPHE D  25      -7.842  17.380  -5.369  0.50 14.56           N  
ATOM    800  CA APHE D  25      -6.796  17.878  -4.482  0.50 14.74           C  
ATOM    801  CA BPHE D  25      -6.847  17.920  -4.432  0.50 14.92           C  
ATOM    802  C  APHE D  25      -6.588  17.060  -3.213  0.50 14.38           C  
ATOM    803  C  BPHE D  25      -6.582  16.960  -3.292  0.50 14.45           C  
ATOM    804  O  APHE D  25      -7.537  16.598  -2.568  0.50 14.91           O  
ATOM    805  O  BPHE D  25      -7.507  16.311  -2.817  0.50 14.83           O  
ATOM    806  CB APHE D  25      -7.057  19.355  -4.176  0.50 15.32           C  
ATOM    807  CB BPHE D  25      -7.326  19.245  -3.849  0.50 15.19           C  
ATOM    808  CG APHE D  25      -8.358  19.646  -3.469  0.50 14.81           C  
ATOM    809  CG BPHE D  25      -6.901  20.439  -4.667  0.50 15.34           C  
ATOM    810  CD1APHE D  25      -9.562  19.799  -4.185  0.50 15.25           C  
ATOM    811  CD1BPHE D  25      -5.918  21.301  -4.238  0.50 16.18           C  
ATOM    812  CD2APHE D  25      -8.362  19.875  -2.091  0.50 14.83           C  
ATOM    813  CD2BPHE D  25      -7.457  20.642  -5.919  0.50 13.80           C  
ATOM    814  CE1APHE D  25     -10.714  20.099  -3.517  0.50 15.08           C  
ATOM    815  CE1BPHE D  25      -5.558  22.377  -5.014  0.50 13.92           C  
ATOM    816  CE2APHE D  25      -9.503  20.196  -1.457  0.50 14.29           C  
ATOM    817  CE2BPHE D  25      -7.098  21.693  -6.673  0.50 12.30           C  
ATOM    818  CZ APHE D  25     -10.682  20.303  -2.175  0.50 12.65           C  
ATOM    819  CZ BPHE D  25      -6.145  22.545  -6.271  0.50 14.00           C  
ATOM    820  N   TYR D  26      -5.312  16.880  -2.885  1.00 14.64           N  
ATOM    821  CA  TYR D  26      -4.863  16.183  -1.678  1.00 15.00           C  
ATOM    822  C   TYR D  26      -4.298  17.216  -0.736  1.00 16.92           C  
ATOM    823  O   TYR D  26      -3.222  17.829  -0.977  1.00 16.62           O  
ATOM    824  CB  TYR D  26      -3.856  15.063  -2.011  1.00 14.97           C  
ATOM    825  CG  TYR D  26      -3.257  14.346  -0.864  1.00 17.12           C  
ATOM    826  CD1 TYR D  26      -1.938  14.593  -0.483  1.00 15.90           C  
ATOM    827  CD2 TYR D  26      -4.003  13.430  -0.166  1.00 16.83           C  
ATOM    828  CE1 TYR D  26      -1.387  13.937   0.658  1.00 19.35           C  
ATOM    829  CE2 TYR D  26      -3.483  12.736   0.910  1.00 20.33           C  
ATOM    830  CZ  TYR D  26      -2.193  13.004   1.320  1.00 17.34           C  
ATOM    831  OH  TYR D  26      -1.756  12.307   2.355  1.00 18.21           O  
ATOM    832  N  ATHR D  27      -4.972  17.382   0.376  0.50 17.65           N  
ATOM    833  N  BTHR D  27      -4.977  17.385   0.383  0.50 17.41           N  
ATOM    834  CA ATHR D  27      -4.581  18.420   1.325  0.50 18.18           C  
ATOM    835  CA BTHR D  27      -4.641  18.441   1.365  0.50 17.62           C  
ATOM    836  C  ATHR D  27      -4.665  17.899   2.756  0.50 18.56           C  
ATOM    837  C  BTHR D  27      -4.683  17.876   2.779  0.50 18.31           C  
ATOM    838  O  ATHR D  27      -5.678  18.076   3.443  0.50 18.69           O  
ATOM    839  O  BTHR D  27      -5.687  18.024   3.485  0.50 18.44           O  
ATOM    840  CB ATHR D  27      -5.344  19.761   1.047  0.50 18.53           C  
ATOM    841  CB BTHR D  27      -5.587  19.679   1.209  0.50 17.90           C  
ATOM    842  OG1ATHR D  27      -6.706  19.501   0.662  0.50 20.43           O  
ATOM    843  OG1BTHR D  27      -5.538  20.164  -0.134  0.50 16.49           O  
ATOM    844  CG2ATHR D  27      -4.674  20.522  -0.079  0.50 16.67           C  
ATOM    845  CG2BTHR D  27      -5.234  20.821   2.172  0.50 16.78           C  
ATOM    846  N   PRO D  28      -3.578  17.246   3.216  1.00 19.03           N  
ATOM    847  CA  PRO D  28      -3.483  16.850   4.595  1.00 20.09           C  
ATOM    848  C   PRO D  28      -3.320  18.044   5.531  1.00 21.33           C  
ATOM    849  O   PRO D  28      -2.933  19.159   5.161  1.00 20.54           O  
ATOM    850  CB  PRO D  28      -2.204  16.007   4.635  1.00 20.41           C  
ATOM    851  CG  PRO D  28      -1.478  16.342   3.428  1.00 20.80           C  
ATOM    852  CD  PRO D  28      -2.320  17.007   2.487  1.00 19.16           C  
ATOM    853  N   LYS D  29      -3.640  17.810   6.776  1.00 22.79           N  
ATOM    854  CA  LYS D  29      -3.151  18.711   7.799  1.00 24.95           C  
ATOM    855  C   LYS D  29      -1.638  18.819   7.852  1.00 26.57           C  
ATOM    856  O   LYS D  29      -0.902  17.809   7.793  1.00 26.11           O  
ATOM    857  CB  LYS D  29      -3.647  18.314   9.213  1.00 24.60           C  
ATOM    858  CG  LYS D  29      -4.851  19.025   9.618  1.00 25.99           C  
ATOM    859  CD  LYS D  29      -5.339  18.533  10.937  1.00 26.96           C  
ATOM    860  CE  LYS D  29      -4.664  19.161  12.063  1.00 30.94           C  
ATOM    861  NZ  LYS D  29      -5.039  18.384  13.312  1.00 33.49           N  
ATOM    862  N   THR D  30      -1.211  20.078   7.984  1.00 29.80           N  
ATOM    863  CA  THR D  30       0.118  20.475   8.473  1.00 32.13           C  
ATOM    864  C   THR D  30       1.278  19.776   7.760  1.00 33.50           C  
ATOM    865  O   THR D  30       1.143  19.219   6.653  1.00 35.65           O  
ATOM    866  CB  THR D  30       0.265  20.174   9.952  1.00 32.43           C  
ATOM    867  OG1 THR D  30      -0.877  20.665  10.689  1.00 35.51           O  
ATOM    868  CG2 THR D  30       1.580  20.738  10.503  1.00 30.36           C  
TER     869      THR D  30                                                      
HETATM  870 ZN    ZN B 101      -0.017   0.100 -13.098  0.33 17.37          ZN  
HETATM  871 CL    CL B 102      -0.101  -0.092 -16.001  0.33 45.28          CL  
HETATM  872 ZN    ZN D 101      -0.034   0.044   2.321  0.33 16.29          ZN  
HETATM  873 CL    CL D 102      -0.053   0.071   4.974  0.33 40.41          CL  
HETATM  874  O   HOH A 101      -2.646  17.229 -18.091  1.00 15.92           O  
HETATM  875  O   HOH A 102      -1.562  22.564 -19.998  1.00 22.83           O  
HETATM  876  O   HOH A 103       1.627  21.930 -16.317  1.00 20.34           O  
HETATM  877  O   HOH A 104       5.678  20.292 -15.147  1.00 30.07           O  
HETATM  878  O   HOH A 105       3.343   8.818 -25.027  1.00 38.79           O  
HETATM  879  O   HOH A 106      -0.379  26.362  -2.332  1.00 32.47           O  
HETATM  880  O   HOH A 107       7.033  23.047  -5.475  1.00 26.02           O  
HETATM  881  O   HOH A 108      -1.810  13.756 -22.701  1.00 28.00           O  
HETATM  882  O   HOH A 109      14.654  18.222 -12.616  1.00 79.21           O  
HETATM  883  O   HOH A 110       6.295  11.501 -26.302  1.00 24.53           O  
HETATM  884  O   HOH A 111      10.405  22.420 -13.424  1.00 35.30           O  
HETATM  885  O   HOH A 112       8.117  17.055 -19.183  1.00 34.05           O  
HETATM  886  O   HOH A 113      10.896  21.361  -8.655  1.00 54.46           O  
HETATM  887  O   HOH A 114      13.641  21.630  -9.789  1.00 32.50           O  
HETATM  888  O   HOH A 115      13.163  20.104  -4.875  1.00 27.46           O  
HETATM  889  O   HOH A 116       6.519  17.949 -22.395  1.00 44.56           O  
HETATM  890  O   HOH A 117      14.170  21.490  -6.464  1.00 36.83           O  
HETATM  891  O   HOH A 118       2.745  15.857 -24.475  1.00 37.18           O  
HETATM  892  O   HOH A 119       3.556  18.984 -23.475  1.00 41.32           O  
HETATM  893  O   HOH A 120       0.756   7.555 -23.358  1.00 40.21           O  
HETATM  894  O   HOH A 121       3.268   7.046 -21.684  1.00 21.11           O  
HETATM  895  O   HOH B 201      -3.651   9.781 -18.115  1.00 26.86           O  
HETATM  896  O   HOH B 202      -5.678  13.030 -20.356  1.00 25.38           O  
HETATM  897  O   HOH B 203      -1.983  18.228 -11.643  1.00 15.04           O  
HETATM  898  O   HOH B 204       3.224   4.947 -14.951  1.00 18.22           O  
HETATM  899  O   HOH B 205      -2.138  10.338 -15.737  1.00 26.18           O  
HETATM  900  O   HOH B 206      -3.314   3.662 -12.964  1.00 28.50           O  
HETATM  901  O   HOH B 207      -4.812  15.319 -20.077  1.00 22.96           O  
HETATM  902  O   HOH B 208       5.157   3.902 -12.657  1.00 21.23           O  
HETATM  903  O   HOH B 209       5.240  11.450   0.764  1.00 27.83           O  
HETATM  904  O   HOH B 210      -0.281   2.686  -2.473  1.00 32.97           O  
HETATM  905  O   HOH B 211      -8.663  17.965 -14.133  1.00 22.23           O  
HETATM  906  O   HOH B 212      -1.310  20.158   3.101  1.00 21.39           O  
HETATM  907  O   HOH B 213       2.932   3.229  -8.152  1.00 28.63           O  
HETATM  908  O   HOH B 214       3.393   6.907  -3.390  1.00 35.50           O  
HETATM  909  O   HOH B 215       0.862  23.259   1.177  1.00 34.66           O  
HETATM  910  O   HOH B 216       5.520   8.779   0.468  1.00 32.48           O  
HETATM  911  O   HOH B 217      -6.279  23.795 -20.455  1.00 42.81           O  
HETATM  912  O   HOH B 218      -2.388  21.145   0.700  1.00 30.49           O  
HETATM  913  O   HOH B 219      13.685   9.826 -10.113  1.00 34.05           O  
HETATM  914  O   HOH B 220      10.911  10.728 -12.618  1.00 31.70           O  
HETATM  915  O   HOH B 221       7.584   3.979 -18.389  1.00 38.52           O  
HETATM  916  O   HOH B 222      10.656   8.421 -11.528  1.00 54.98           O  
HETATM  917  O   HOH B 223       3.581  11.927   2.872  1.00 31.32           O  
HETATM  918  O   HOH B 224       0.291  10.270   4.822  1.00 30.51           O  
HETATM  919  O   HOH B 225       4.420   4.678 -17.087  1.00 37.03           O  
HETATM  920  O   HOH B 226      -7.593  24.038 -16.493  1.00 47.17           O  
HETATM  921  O   HOH B 227      -2.563  23.546   0.072  1.00 38.05           O  
HETATM  922  O   HOH B 228      -3.932  11.767 -21.584  1.00 33.71           O  
HETATM  923  O   HOH B 229       4.806   6.698  -0.336  1.00 21.57           O  
HETATM  924  O   HOH B 230      -2.580   9.668 -20.883  1.00 31.18           O  
HETATM  925  O   HOH B 231      -6.895  10.729 -14.731  1.00 30.19           O  
HETATM  926  O   HOH C 101      -6.963  16.500   5.458  1.00 15.92           O  
HETATM  927  O   HOH C 102     -18.368   4.604   0.690  1.00 18.52           O  
HETATM  928  O   HOH C 103      -5.279   9.060   4.939  1.00 19.22           O  
HETATM  929  O   HOH C 104     -20.940   9.885   3.580  1.00 18.58           O  
HETATM  930  O   HOH C 105     -20.617  12.916  -2.563  1.00 20.66           O  
HETATM  931  O   HOH C 106     -10.209  18.022   4.570  1.00 20.15           O  
HETATM  932  O   HOH C 107      -1.941  13.966   8.199  1.00 33.31           O  
HETATM  933  O   HOH C 108     -10.576  15.491  10.268  1.00 43.07           O  
HETATM  934  O   HOH C 109     -17.925   7.671   6.831  1.00 30.00           O  
HETATM  935  O   HOH C 110     -11.591  19.465   6.408  1.00 29.64           O  
HETATM  936  O   HOH C 111     -12.701  14.966   7.173  1.00 47.75           O  
HETATM  937  O   HOH C 112     -16.364  15.258   2.883  1.00 20.48           O  
HETATM  938  O   HOH C 113     -23.302   3.276  -2.913  1.00 42.73           O  
HETATM  939  O   HOH C 114      -3.426  10.654   7.714  1.00 26.95           O  
HETATM  940  O   HOH C 115     -13.441  20.244  -0.264  1.00 58.71           O  
HETATM  941  O   HOH C 116      -6.332   3.722  12.299  1.00 39.49           O  
HETATM  942  O   HOH C 117     -17.147   8.291   8.991  1.00 40.93           O  
HETATM  943  O   HOH C 118      -8.461  19.476   9.062  1.00 38.03           O  
HETATM  944  O   HOH C 119      -8.433  12.734  12.553  1.00 42.33           O  
HETATM  945  O   HOH C 120     -15.543  14.123   5.504  1.00 24.97           O  
HETATM  946  O   HOH D 201      -4.762   2.224   4.416  1.00 16.45           O  
HETATM  947  O   HOH D 202       1.177   4.644   2.243  1.00 15.74           O  
HETATM  948  O   HOH D 203      -7.538  16.058   0.484  1.00 20.56           O  
HETATM  949  O   HOH D 204      -4.521   1.432  -2.454  1.00 24.68           O  
HETATM  950  O   HOH D 205      -3.181  10.008   3.037  1.00 17.36           O  
HETATM  951  O   HOH D 206      -7.013   2.666  -1.948  1.00 23.28           O  
HETATM  952  O   HOH D 207     -19.109  -0.069   5.523  1.00 23.63           O  
HETATM  953  O   HOH D 208      -8.335  11.265 -10.497  1.00 26.95           O  
HETATM  954  O   HOH D 209      -5.949   1.258   6.598  1.00 31.85           O  
HETATM  955  O   HOH D 210      -1.734   8.624   6.206  1.00 30.80           O  
HETATM  956  O   HOH D 211     -11.035   0.106   3.112  1.00 33.65           O  
HETATM  957  O   HOH D 212      -9.128  20.654   2.129  1.00 33.40           O  
HETATM  958  O   HOH D 213     -18.653   1.416   8.392  1.00 24.67           O  
HETATM  959  O   HOH D 214      -0.538   2.788  -8.502  1.00 26.44           O  
HETATM  960  O   HOH D 215       1.229  20.828  13.076  1.00 29.80           O  
HETATM  961  O   HOH D 216       0.219   3.352   4.082  1.00 33.96           O  
HETATM  962  O   HOH D 217      -6.426   4.101  -7.505  1.00 30.34           O  
HETATM  963  O   HOH D 218      -6.124   0.764   2.279  1.00 28.49           O  
HETATM  964  O   HOH D 219      -8.338  18.269   2.594  1.00 29.08           O  
HETATM  965  O   HOH D 220      -6.818  -0.863   5.823  1.00 45.12           O  
HETATM  966  O   HOH D 221     -20.991   4.610   2.382  1.00 35.29           O  
HETATM  967  O   HOH D 222     -23.305   3.151  -0.413  1.00 28.97           O  
HETATM  968  O   HOH D 223      -9.967  10.011 -19.106  1.00 42.81           O  
HETATM  969  O   HOH D 224      -3.657  22.350   8.016  1.00 48.75           O  
HETATM  970  O   HOH D 225     -22.772   2.541   2.336  1.00 43.58           O  
HETATM  971  O   HOH D 226      -7.471  16.327  12.607  1.00 28.58           O  
HETATM  972  O   HOH D 227      -2.106   1.508   5.067  1.00 35.08           O  
HETATM  973  O   HOH D 228      -0.032   0.129  -8.500  0.33 18.32           O  
HETATM  974  O   HOH D 229       0.359  -0.568  -5.555  0.33 19.82           O  
CONECT   43   84                                                                
CONECT   49  231                                                                
CONECT   84   43                                                                
CONECT  162  328                                                                
CONECT  231   49                                                                
CONECT  251  870                                                                
CONECT  328  162                                                                
CONECT  482  521                                                                
CONECT  488  668                                                                
CONECT  521  482                                                                
CONECT  599  758                                                                
CONECT  668  488                                                                
CONECT  688  872                                                                
CONECT  758  599                                                                
CONECT  870  251                                                                
CONECT  872  688                                                                
MASTER      388    0    4    9    4    0    4    6  913    4   16   10          
END                                                                             
