HEADER    EXUDATE PROTEIN                         26-SEP-03   1UOY              
TITLE     THE BUBBLE PROTEIN FROM PENICILLIUM BREVICOMPACTUM DIERCKX EXUDATE.   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BUBBLE PROTEIN;                                            
COMPND   3 CHAIN: A                                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PENICILLIUM BREVICOMPACTUM;                     
SOURCE   3 ORGANISM_TAXID: 5074;                                                
SOURCE   4 VARIANT: DIERCKX                                                     
KEYWDS    EXUDATE PROTEIN, SULFUR PHASING, POTENTIAL KILLER TOXIN               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.G.OLSEN,C.FLENSBURG,O.OLSEN,M.SEIBOLD,G.BRICOGNE,A.HENRIKSEN        
REVDAT   5   03-APR-19 1UOY    1       REMARK                                   
REVDAT   4   12-JUL-17 1UOY    1                                                
REVDAT   3   24-FEB-09 1UOY    1       VERSN                                    
REVDAT   2   05-FEB-04 1UOY    1       JRNL                                     
REVDAT   1   04-NOV-03 1UOY    0                                                
JRNL        AUTH   J.G.OLSEN,C.FLENSBURG,O.OLSEN,G.BRICOGNE,A.HENRIKSEN         
JRNL        TITL   SOLVING THE STRUCTURE OF THE BUBBLE PROTEIN USING THE        
JRNL        TITL 2 ANOMALOUS SULFUR SIGNAL FROM SINGLE-CRYSTAL IN-HOUSE CU      
JRNL        TITL 3 KALPHA DIFFRACTION DATA ONLY                                 
JRNL        REF    ACTA CRYSTALLOGR.,SECT.D      V.  60   250 2004              
JRNL        REFN                   ISSN 0907-4449                               
JRNL        PMID   14747700                                                     
JRNL        DOI    10.1107/S0907444903025927                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,              
REMARK   3               : READ,RICE,SIMONSON,WARREN                            
REMARK   3                                                                      
REMARK   3  REFINEMENT TARGET : NULL                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 15.21                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 834780.520                     
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.0000                         
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 11234                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE            (WORKING SET) : 0.164                           
REMARK   3   FREE R VALUE                     : 0.185                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 8.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 908                             
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.006                           
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 6                            
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.50                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.59                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.0                        
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 1707                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1640                       
REMARK   3   BIN FREE R VALUE                    : 0.2160                       
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 7.30                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 134                          
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.019                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 452                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 129                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 14.00                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 14.70                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.13000                                             
REMARK   3    B22 (A**2) : 0.68000                                              
REMARK   3    B33 (A**2) : 0.45000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.12                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.00                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.15                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.013                           
REMARK   3   BOND ANGLES            (DEGREES) : 1.700                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 25.50                           
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.330                           
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED                                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.380 ; 1.500                
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.730 ; 2.000                
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.660 ; 2.000                
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 3.630 ; 2.500                
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELING.                                              
REMARK   3   METHOD USED : FLAT MODEL                                           
REMARK   3   KSOL        : 0.34                                                 
REMARK   3   BSOL        : 37.19                                                
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : PROTEIN_REP.PARAM                              
REMARK   3  PARAMETER FILE  2  : WATER_REP.PARAM                                
REMARK   3  PARAMETER FILE  3  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : PROTEIN.TOP                                    
REMARK   3  TOPOLOGY FILE  2   : WATER.TOP                                      
REMARK   3  TOPOLOGY FILE  3   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1UOY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 26-SEP-03.                  
REMARK 100 THE DEPOSITION ID IS D_1290013564.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 15-JAN-02                          
REMARK 200  TEMPERATURE           (KELVIN) : 120.0                              
REMARK 200  PH                             : 5.00                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RUH3R                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : MIRRORS                            
REMARK 200  OPTICS                         : MAX-FLUX OPTICAL SYSTEM            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU IMAGE PLATE                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 11250                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 15.200                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 13.50                              
REMARK 200  R MERGE                    (I) : 0.05500                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 8.3000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.58                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 12.30                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.15500                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.600                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SHELXD                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: PHASING USING THE ANOMALOUS SIGNAL FROM 8 CYSTEINE SULFURS   
REMARK 200  (4 DISULFIDE BRIDGES). THE IMAGE PLATE MODEL USED WAS RAXIS IV++    
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 52.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 16 MG/ML PROTEIN IN 30 MM NA-ACETATE     
REMARK 280  BUFFER, PH 5.0 AT 4 DEG., PH 5.00, TEMPERATURE 277K                 
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       26.70750            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       26.70750            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       21.80750            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       29.21800            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       21.80750            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       29.21800            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       26.70750            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       21.80750            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       29.21800            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       26.70750            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       21.80750            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       29.21800            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A  15       -0.13     76.92                                   
REMARK 500    ARG A  32       16.19     58.70                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A2015        DISTANCE =  7.08 ANGSTROMS                       
REMARK 525    HOH A2025        DISTANCE =  6.60 ANGSTROMS                       
REMARK 525    HOH A2033        DISTANCE =  6.19 ANGSTROMS                       
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 SEQUENCE YET TO BE DEPOSITED IN PUBLIC DATABASE                      
DBREF  1UOY A    1    64  PDB    1UOY     1UOY             1     64             
SEQRES   1 A   64  ASP THR CYS GLY SER GLY TYR ASN VAL ASP GLN ARG ARG          
SEQRES   2 A   64  THR ASN SER GLY CYS LYS ALA GLY ASN GLY ASP ARG HIS          
SEQRES   3 A   64  PHE CYS GLY CYS ASP ARG THR GLY VAL VAL GLU CYS LYS          
SEQRES   4 A   64  GLY GLY LYS TRP THR GLU VAL GLN ASP CYS GLY SER SER          
SEQRES   5 A   64  SER CYS LYS GLY THR SER ASN GLY GLY ALA THR CYS              
FORMUL   2  HOH   *129(H2 O)                                                    
HELIX    1   1 LYS A   19  GLY A   23  5                                   5    
SHEET    1  AA 3 HIS A  26  CYS A  28  0                                        
SHEET    2  AA 3 GLY A  34  LYS A  39 -1  O  VAL A  36   N  PHE A  27           
SHEET    3  AA 3 LYS A  42  ASP A  48 -1  O  LYS A  42   N  LYS A  39           
SHEET    1  AB 2 LYS A  55  THR A  57  0                                        
SHEET    2  AB 2 GLY A  60  THR A  63 -1  O  GLY A  60   N  THR A  57           
SSBOND   1 CYS A    3    CYS A   30                          1555   1555  2.04  
SSBOND   2 CYS A   18    CYS A   38                          1555   1555  2.05  
SSBOND   3 CYS A   28    CYS A   54                          1555   1555  2.04  
SSBOND   4 CYS A   49    CYS A   64                          1555   1555  2.01  
CRYST1   43.615   58.436   53.415  90.00  90.00  90.00 C 2 2 21      8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.022928  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017113  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.018721        0.00000                         
ATOM      1  N   ASP A   1      -1.975  13.681   1.305  1.00  8.89           N  
ATOM      2  CA  ASP A   1      -2.770  14.720   1.986  1.00  8.19           C  
ATOM      3  C   ASP A   1      -2.208  16.073   1.634  1.00 10.28           C  
ATOM      4  O   ASP A   1      -1.015  16.183   1.262  1.00  9.51           O  
ATOM      5  CB  ASP A   1      -2.572  14.585   3.510  1.00  9.90           C  
ATOM      6  CG  ASP A   1      -3.062  13.279   4.058  1.00 13.69           C  
ATOM      7  OD1 ASP A   1      -3.385  12.350   3.295  1.00 12.00           O  
ATOM      8  OD2 ASP A   1      -3.091  13.176   5.309  1.00 15.76           O  
ATOM      9  N   THR A   2      -3.063  17.082   1.704  1.00 11.26           N  
ATOM     10  CA  THR A   2      -2.567  18.458   1.587  1.00 10.50           C  
ATOM     11  C   THR A   2      -1.999  18.729   3.003  1.00 12.30           C  
ATOM     12  O   THR A   2      -2.145  17.926   3.938  1.00 14.53           O  
ATOM     13  CB  THR A   2      -3.664  19.455   1.226  1.00 11.88           C  
ATOM     14  OG1 THR A   2      -4.695  19.366   2.209  1.00 19.78           O  
ATOM     15  CG2 THR A   2      -4.278  19.164  -0.138  1.00 13.65           C  
ATOM     16  N   CYS A   3      -1.383  19.899   3.170  1.00 11.66           N  
ATOM     17  CA  CYS A   3      -0.761  20.227   4.434  1.00 13.80           C  
ATOM     18  C   CYS A   3      -1.690  20.801   5.476  1.00 15.76           C  
ATOM     19  O   CYS A   3      -1.331  20.803   6.661  1.00 18.39           O  
ATOM     20  CB  CYS A   3       0.390  21.191   4.175  1.00 11.93           C  
ATOM     21  SG  CYS A   3       1.743  20.404   3.240  1.00 11.72           S  
ATOM     22  N   GLY A   4      -2.879  21.230   5.054  1.00 14.68           N  
ATOM     23  CA  GLY A   4      -3.790  21.801   6.035  1.00 17.11           C  
ATOM     24  C   GLY A   4      -3.896  23.318   5.995  1.00 13.23           C  
ATOM     25  O   GLY A   4      -3.425  24.010   5.090  1.00 14.07           O  
ATOM     26  N   SER A   5      -4.614  23.822   6.989  1.00 18.19           N  
ATOM     27  CA  SER A   5      -4.858  25.243   7.098  1.00 16.09           C  
ATOM     28  C   SER A   5      -3.555  26.034   7.191  1.00 15.18           C  
ATOM     29  O   SER A   5      -2.638  25.686   7.940  1.00 17.75           O  
ATOM     30  CB  SER A   5      -5.721  25.511   8.338  1.00 24.40           C  
ATOM     31  OG  SER A   5      -6.059  26.892   8.403  1.00 30.82           O  
ATOM     32  N   GLY A   6      -3.491  27.112   6.419  1.00 16.00           N  
ATOM     33  CA  GLY A   6      -2.295  27.945   6.399  1.00 13.94           C  
ATOM     34  C   GLY A   6      -1.312  27.601   5.306  1.00 12.50           C  
ATOM     35  O   GLY A   6      -0.307  28.301   5.140  1.00 15.15           O  
ATOM     36  N   TYR A   7      -1.538  26.462   4.648  1.00 11.57           N  
ATOM     37  CA  TYR A   7      -0.656  26.019   3.588  1.00 11.50           C  
ATOM     38  C   TYR A   7      -1.336  26.230   2.229  1.00 10.09           C  
ATOM     39  O   TYR A   7      -2.541  26.434   2.135  1.00 11.85           O  
ATOM     40  CB  TYR A   7      -0.287  24.558   3.850  1.00 11.47           C  
ATOM     41  CG  TYR A   7       0.567  24.357   5.070  1.00 11.84           C  
ATOM     42  CD1 TYR A   7       1.935  24.532   5.023  1.00 13.07           C  
ATOM     43  CD2 TYR A   7      -0.023  23.973   6.278  1.00 13.75           C  
ATOM     44  CE1 TYR A   7       2.723  24.319   6.154  1.00 12.47           C  
ATOM     45  CE2 TYR A   7       0.747  23.761   7.405  1.00 15.52           C  
ATOM     46  CZ  TYR A   7       2.117  23.934   7.326  1.00 17.64           C  
ATOM     47  OH  TYR A   7       2.886  23.662   8.445  1.00 19.31           O  
ATOM     48  N   ASN A   8      -0.521  26.168   1.182  1.00 10.23           N  
ATOM     49  CA  ASN A   8      -0.942  26.515  -0.167  1.00 10.70           C  
ATOM     50  C   ASN A   8      -1.256  25.343  -1.072  1.00  9.78           C  
ATOM     51  O   ASN A   8      -0.895  24.190  -0.741  1.00  9.03           O  
ATOM     52  CB  ASN A   8       0.157  27.409  -0.780  1.00 10.22           C  
ATOM     53  CG  ASN A   8      -0.325  28.252  -1.940  1.00 13.76           C  
ATOM     54  OD1 ASN A   8      -1.432  28.777  -1.917  1.00 22.89           O  
ATOM     55  ND2 ASN A   8       0.487  28.351  -2.981  1.00 15.76           N  
ATOM     56  N   VAL A   9      -1.928  25.657  -2.187  1.00  9.97           N  
ATOM     57  CA  VAL A   9      -2.379  24.632  -3.114  1.00  9.65           C  
ATOM     58  C   VAL A   9      -1.260  23.881  -3.797  1.00  8.98           C  
ATOM     59  O   VAL A   9      -1.544  22.865  -4.420  1.00 10.34           O  
ATOM     60  CB  VAL A   9      -3.342  25.214  -4.188  1.00 10.12           C  
ATOM     61  CG1 VAL A   9      -4.671  25.639  -3.502  1.00 14.62           C  
ATOM     62  CG2 VAL A   9      -2.704  26.365  -4.913  1.00 12.06           C  
ATOM     63  N   ASP A  10      -0.025  24.409  -3.726  1.00  9.02           N  
ATOM     64  CA  ASP A  10       1.100  23.685  -4.348  1.00  8.52           C  
ATOM     65  C   ASP A  10       1.798  22.798  -3.327  1.00  8.57           C  
ATOM     66  O   ASP A  10       2.874  22.299  -3.648  1.00  9.42           O  
ATOM     67  CB  ASP A  10       2.127  24.679  -4.955  1.00  8.93           C  
ATOM     68  CG  ASP A  10       2.782  25.562  -3.922  1.00  8.87           C  
ATOM     69  OD1 ASP A  10       2.151  25.855  -2.874  1.00  9.36           O  
ATOM     70  OD2 ASP A  10       3.901  26.030  -4.200  1.00 10.59           O  
ATOM     71  N   GLN A  11       1.198  22.547  -2.160  1.00  7.86           N  
ATOM     72  CA  GLN A  11       1.859  21.774  -1.116  1.00  7.22           C  
ATOM     73  C   GLN A  11       1.171  20.469  -0.797  1.00  9.62           C  
ATOM     74  O   GLN A  11      -0.077  20.392  -0.860  1.00  8.81           O  
ATOM     75  CB  GLN A  11       1.970  22.615   0.143  1.00  8.02           C  
ATOM     76  CG  GLN A  11       2.793  23.859  -0.101  1.00  8.18           C  
ATOM     77  CD  GLN A  11       3.022  24.633   1.163  1.00  8.30           C  
ATOM     78  OE1 GLN A  11       2.168  25.428   1.600  1.00  9.35           O  
ATOM     79  NE2 GLN A  11       4.181  24.391   1.803  1.00 10.59           N  
ATOM     80  N   ARG A  12       1.985  19.451  -0.498  1.00  8.60           N  
ATOM     81  CA  ARG A  12       1.501  18.124  -0.123  1.00  6.89           C  
ATOM     82  C   ARG A  12       2.368  17.667   1.008  1.00  7.88           C  
ATOM     83  O   ARG A  12       3.564  18.016   1.089  1.00 10.22           O  
ATOM     84  CB  ARG A  12       1.580  17.130  -1.297  1.00  8.80           C  
ATOM     85  CG  ARG A  12       0.737  17.546  -2.485  1.00  7.94           C  
ATOM     86  CD  ARG A  12      -0.756  17.362  -2.211  1.00  7.62           C  
ATOM     87  NE  ARG A  12      -1.567  17.580  -3.413  1.00  7.49           N  
ATOM     88  CZ  ARG A  12      -1.938  18.759  -3.882  1.00  7.81           C  
ATOM     89  NH1 ARG A  12      -1.571  19.887  -3.267  1.00 11.74           N  
ATOM     90  NH2 ARG A  12      -2.675  18.826  -4.995  1.00 11.92           N  
ATOM     91  N   ARG A  13       1.790  16.890   1.928  1.00  7.93           N  
ATOM     92  CA  ARG A  13       2.547  16.505   3.109  1.00  8.56           C  
ATOM     93  C   ARG A  13       3.452  15.313   2.817  1.00  9.46           C  
ATOM     94  O   ARG A  13       2.965  14.224   2.449  1.00  8.90           O  
ATOM     95  CB  ARG A  13       1.577  16.236   4.281  1.00  9.84           C  
ATOM     96  CG  ARG A  13       2.350  15.900   5.552  1.00 11.47           C  
ATOM     97  CD  ARG A  13       1.374  15.910   6.779  1.00 16.92           C  
ATOM     98  NE  ARG A  13       0.883  17.263   7.039  1.00 17.34           N  
ATOM     99  CZ  ARG A  13       1.541  18.202   7.730  1.00 20.49           C  
ATOM    100  NH1 ARG A  13       2.736  17.947   8.260  1.00 21.46           N  
ATOM    101  NH2 ARG A  13       1.006  19.408   7.894  1.00 15.67           N  
ATOM    102  N   THR A  14       4.760  15.512   2.980  1.00  9.31           N  
ATOM    103  CA  THR A  14       5.700  14.444   2.732  1.00  7.96           C  
ATOM    104  C   THR A  14       5.322  13.200   3.574  1.00 11.59           C  
ATOM    105  O   THR A  14       4.981  13.296   4.768  1.00 10.43           O  
ATOM    106  CB  THR A  14       7.123  14.898   3.065  1.00  9.16           C  
ATOM    107  OG1 THR A  14       7.355  16.170   2.429  1.00 10.01           O  
ATOM    108  CG2 THR A  14       8.159  13.881   2.601  1.00 10.74           C  
ATOM    109  N   ASN A  15       5.347  12.068   2.891  1.00 10.63           N  
ATOM    110  CA  ASN A  15       5.074  10.745   3.436  1.00 11.19           C  
ATOM    111  C   ASN A  15       3.596  10.446   3.661  1.00 10.53           C  
ATOM    112  O   ASN A  15       3.242   9.381   4.136  1.00 14.73           O  
ATOM    113  CB  ASN A  15       5.936  10.491   4.692  1.00 12.27           C  
ATOM    114  CG  ASN A  15       7.391  10.597   4.374  1.00 16.41           C  
ATOM    115  OD1 ASN A  15       7.829  10.173   3.303  1.00 17.99           O  
ATOM    116  ND2 ASN A  15       8.163  11.178   5.289  1.00 23.19           N  
ATOM    117  N   SER A  16       2.729  11.401   3.347  1.00  9.50           N  
ATOM    118  CA  SER A  16       1.291  11.120   3.449  1.00  9.04           C  
ATOM    119  C   SER A  16       0.823  10.407   2.183  1.00  9.69           C  
ATOM    120  O   SER A  16       1.535  10.309   1.174  1.00  8.89           O  
ATOM    121  CB  SER A  16       0.503  12.417   3.645  1.00  9.16           C  
ATOM    122  OG  SER A  16       0.518  13.271   2.493  1.00 10.20           O  
ATOM    123  N   GLY A  17      -0.392   9.871   2.226  1.00  9.10           N  
ATOM    124  CA  GLY A  17      -0.900   9.141   1.081  1.00  9.25           C  
ATOM    125  C   GLY A  17      -1.174   9.994  -0.157  1.00  7.99           C  
ATOM    126  O   GLY A  17      -1.442  11.190  -0.042  1.00  9.32           O  
ATOM    127  N   CYS A  18      -1.142   9.357  -1.327  1.00  8.92           N  
ATOM    128  CA  CYS A  18      -1.385  10.067  -2.595  1.00  9.96           C  
ATOM    129  C   CYS A  18      -1.957   9.128  -3.644  1.00  8.66           C  
ATOM    130  O   CYS A  18      -1.532   7.974  -3.779  1.00 10.44           O  
ATOM    131  CB  CYS A  18      -0.087  10.749  -3.097  1.00  9.99           C  
ATOM    132  SG  CYS A  18       1.292   9.614  -3.380  1.00  9.84           S  
ATOM    133  N   LYS A  19      -2.925   9.666  -4.360  1.00  9.25           N  
ATOM    134  CA  LYS A  19      -3.626   8.924  -5.414  1.00  9.19           C  
ATOM    135  C   LYS A  19      -2.725   8.674  -6.606  1.00  9.96           C  
ATOM    136  O   LYS A  19      -1.906   9.513  -7.012  1.00  9.46           O  
ATOM    137  CB  LYS A  19      -4.833   9.713  -5.904  1.00  9.16           C  
ATOM    138  CG  LYS A  19      -5.901   9.891  -4.850  1.00 12.33           C  
ATOM    139  CD  LYS A  19      -7.112  10.649  -5.342  1.00 10.47           C  
ATOM    140  CE  LYS A  19      -7.568  11.567  -4.218  1.00 12.01           C  
ATOM    141  NZ  LYS A  19      -8.003  10.816  -2.979  1.00 10.74           N  
ATOM    142  N   ALA A  20      -2.932   7.518  -7.213  1.00 10.11           N  
ATOM    143  CA  ALA A  20      -2.074   7.156  -8.329  1.00 11.70           C  
ATOM    144  C   ALA A  20      -2.175   8.119  -9.535  1.00 11.52           C  
ATOM    145  O   ALA A  20      -1.183   8.285 -10.271  1.00 11.02           O  
ATOM    146  CB  ALA A  20      -2.389   5.735  -8.760  1.00 12.33           C  
ATOM    147  N   GLY A  21      -3.341   8.737  -9.726  1.00  9.10           N  
ATOM    148  CA  GLY A  21      -3.549   9.692 -10.816  1.00 10.13           C  
ATOM    149  C   GLY A  21      -2.643  10.910 -10.753  1.00  8.71           C  
ATOM    150  O   GLY A  21      -2.558  11.655 -11.714  1.00  8.38           O  
ATOM    151  N   ASN A  22      -1.982  11.137  -9.622  1.00  7.97           N  
ATOM    152  CA  ASN A  22      -1.037  12.234  -9.543  1.00  7.48           C  
ATOM    153  C   ASN A  22       0.084  12.049 -10.565  1.00  8.04           C  
ATOM    154  O   ASN A  22       0.696  13.050 -10.989  1.00  8.51           O  
ATOM    155  CB  ASN A  22      -0.426  12.309  -8.130  1.00  6.57           C  
ATOM    156  CG  ASN A  22      -1.328  13.021  -7.170  1.00  7.67           C  
ATOM    157  OD1 ASN A  22      -1.484  14.228  -7.259  1.00  8.14           O  
ATOM    158  ND2 ASN A  22      -1.923  12.291  -6.228  1.00 10.87           N  
ATOM    159  N   GLY A  23       0.333  10.810 -10.980  1.00  8.34           N  
ATOM    160  CA  GLY A  23       1.400  10.600 -11.943  1.00  9.27           C  
ATOM    161  C   GLY A  23       2.703  11.161 -11.400  1.00  8.35           C  
ATOM    162  O   GLY A  23       2.999  11.006 -10.186  1.00  8.62           O  
ATOM    163  N   ASP A  24       3.493  11.811 -12.269  1.00  7.04           N  
ATOM    164  CA  ASP A  24       4.766  12.326 -11.824  1.00  6.80           C  
ATOM    165  C   ASP A  24       4.748  13.784 -11.480  1.00  8.37           C  
ATOM    166  O   ASP A  24       5.783  14.424 -11.480  1.00 10.00           O  
ATOM    167  CB  ASP A  24       5.858  12.011 -12.853  1.00  8.26           C  
ATOM    168  CG  ASP A  24       5.622  12.632 -14.214  1.00 10.64           C  
ATOM    169  OD1 ASP A  24       4.791  13.553 -14.375  1.00  9.36           O  
ATOM    170  OD2 ASP A  24       6.337  12.204 -15.162  1.00 14.50           O  
ATOM    171  N   ARG A  25       3.568  14.307 -11.135  1.00  7.19           N  
ATOM    172  CA  ARG A  25       3.514  15.725 -10.715  1.00  7.31           C  
ATOM    173  C   ARG A  25       4.424  15.954  -9.518  1.00  8.06           C  
ATOM    174  O   ARG A  25       4.515  15.132  -8.585  1.00  8.34           O  
ATOM    175  CB  ARG A  25       2.092  16.087 -10.269  1.00  8.15           C  
ATOM    176  CG  ARG A  25       1.099  16.279 -11.408  1.00  6.45           C  
ATOM    177  CD  ARG A  25      -0.240  16.619 -10.771  1.00  7.08           C  
ATOM    178  NE  ARG A  25      -1.399  16.772 -11.671  1.00  7.28           N  
ATOM    179  CZ  ARG A  25      -2.136  15.762 -12.113  1.00  6.29           C  
ATOM    180  NH1 ARG A  25      -1.811  14.492 -11.904  1.00  7.16           N  
ATOM    181  NH2 ARG A  25      -3.365  16.016 -12.595  1.00  8.11           N  
ATOM    182  N   HIS A  26       5.049  17.129  -9.522  1.00  7.64           N  
ATOM    183  CA  HIS A  26       5.904  17.535  -8.407  1.00  6.82           C  
ATOM    184  C   HIS A  26       5.249  18.662  -7.646  1.00  6.56           C  
ATOM    185  O   HIS A  26       4.807  19.661  -8.218  1.00  7.60           O  
ATOM    186  CB  HIS A  26       7.241  18.009  -8.967  1.00  6.91           C  
ATOM    187  CG  HIS A  26       8.123  16.886  -9.334  1.00  8.45           C  
ATOM    188  ND1 HIS A  26       9.410  17.081  -9.778  1.00 10.38           N  
ATOM    189  CD2 HIS A  26       7.920  15.556  -9.293  1.00 12.26           C  
ATOM    190  CE1 HIS A  26       9.965  15.897  -9.997  1.00  8.71           C  
ATOM    191  NE2 HIS A  26       9.079  14.960  -9.717  1.00 12.03           N  
ATOM    192  N   PHE A  27       5.168  18.461  -6.341  1.00  8.12           N  
ATOM    193  CA  PHE A  27       4.619  19.440  -5.403  1.00  7.60           C  
ATOM    194  C   PHE A  27       5.667  19.794  -4.356  1.00  7.54           C  
ATOM    195  O   PHE A  27       6.749  19.205  -4.353  1.00  8.97           O  
ATOM    196  CB  PHE A  27       3.359  18.877  -4.704  1.00  7.49           C  
ATOM    197  CG  PHE A  27       2.160  18.813  -5.625  1.00  7.57           C  
ATOM    198  CD1 PHE A  27       1.361  19.933  -5.806  1.00 10.54           C  
ATOM    199  CD2 PHE A  27       1.854  17.662  -6.307  1.00  8.30           C  
ATOM    200  CE1 PHE A  27       0.240  19.879  -6.667  1.00 10.44           C  
ATOM    201  CE2 PHE A  27       0.743  17.590  -7.173  1.00  8.31           C  
ATOM    202  CZ  PHE A  27      -0.062  18.686  -7.352  1.00  8.60           C  
ATOM    203  N   CYS A  28       5.371  20.779  -3.511  1.00  7.38           N  
ATOM    204  CA  CYS A  28       6.272  21.146  -2.431  1.00  6.20           C  
ATOM    205  C   CYS A  28       5.811  20.520  -1.144  1.00  8.02           C  
ATOM    206  O   CYS A  28       4.599  20.394  -0.919  1.00  9.16           O  
ATOM    207  CB  CYS A  28       6.255  22.644  -2.225  1.00  7.50           C  
ATOM    208  SG  CYS A  28       6.960  23.559  -3.608  1.00  8.63           S  
ATOM    209  N   GLY A  29       6.758  20.119  -0.278  1.00  8.18           N  
ATOM    210  CA  GLY A  29       6.378  19.655   1.047  1.00  7.42           C  
ATOM    211  C   GLY A  29       5.889  20.844   1.862  1.00  8.42           C  
ATOM    212  O   GLY A  29       5.971  22.012   1.456  1.00  8.77           O  
ATOM    213  N   CYS A  30       5.356  20.553   3.032  1.00  7.94           N  
ATOM    214  CA  CYS A  30       4.796  21.603   3.851  1.00  8.80           C  
ATOM    215  C   CYS A  30       5.781  22.682   4.274  1.00  8.01           C  
ATOM    216  O   CYS A  30       5.420  23.869   4.300  1.00 10.59           O  
ATOM    217  CB  CYS A  30       4.072  21.054   5.084  1.00 10.97           C  
ATOM    218  SG  CYS A  30       2.934  19.673   4.726  1.00 12.25           S  
ATOM    219  N   ASP A  31       7.003  22.290   4.613  1.00  8.65           N  
ATOM    220  CA  ASP A  31       7.975  23.306   4.990  1.00  7.15           C  
ATOM    221  C   ASP A  31       8.799  23.854   3.863  1.00  8.21           C  
ATOM    222  O   ASP A  31       9.678  24.678   4.086  1.00  9.82           O  
ATOM    223  CB  ASP A  31       8.866  22.821   6.137  1.00  8.91           C  
ATOM    224  CG  ASP A  31       9.802  21.704   5.748  1.00 14.13           C  
ATOM    225  OD1 ASP A  31       9.948  21.378   4.548  1.00  9.97           O  
ATOM    226  OD2 ASP A  31      10.459  21.151   6.686  1.00 18.12           O  
ATOM    227  N   ARG A  32       8.413  23.480   2.631  1.00  8.96           N  
ATOM    228  CA  ARG A  32       9.062  23.908   1.396  1.00  7.72           C  
ATOM    229  C   ARG A  32      10.519  23.560   1.284  1.00  6.74           C  
ATOM    230  O   ARG A  32      11.195  24.044   0.399  1.00  8.59           O  
ATOM    231  CB  ARG A  32       8.836  25.408   1.139  1.00  7.98           C  
ATOM    232  CG  ARG A  32       7.335  25.705   0.939  1.00  6.16           C  
ATOM    233  CD  ARG A  32       7.154  27.139   0.373  1.00  9.00           C  
ATOM    234  NE  ARG A  32       5.711  27.415   0.200  1.00  8.13           N  
ATOM    235  CZ  ARG A  32       4.997  27.048  -0.867  1.00  6.80           C  
ATOM    236  NH1 ARG A  32       5.574  26.413  -1.890  1.00  9.33           N  
ATOM    237  NH2 ARG A  32       3.672  27.233  -0.866  1.00  7.99           N  
ATOM    238  N   THR A  33      11.001  22.642   2.114  1.00  8.77           N  
ATOM    239  CA  THR A  33      12.406  22.237   2.013  1.00  7.78           C  
ATOM    240  C   THR A  33      12.630  21.081   1.072  1.00  7.42           C  
ATOM    241  O   THR A  33      13.767  20.670   0.874  1.00  8.90           O  
ATOM    242  CB  THR A  33      13.072  21.859   3.374  1.00  8.15           C  
ATOM    243  OG1 THR A  33      12.437  20.683   3.899  1.00  9.69           O  
ATOM    244  CG2 THR A  33      12.977  23.025   4.369  1.00  9.11           C  
ATOM    245  N   GLY A  34      11.547  20.607   0.434  1.00  7.47           N  
ATOM    246  CA  GLY A  34      11.701  19.534  -0.509  1.00  8.05           C  
ATOM    247  C   GLY A  34      10.595  19.505  -1.546  1.00  7.55           C  
ATOM    248  O   GLY A  34       9.520  20.023  -1.334  1.00  9.04           O  
ATOM    249  N   VAL A  35      10.942  18.922  -2.671  1.00  6.99           N  
ATOM    250  CA  VAL A  35      10.021  18.652  -3.760  1.00  5.79           C  
ATOM    251  C   VAL A  35       9.563  17.228  -3.581  1.00  7.02           C  
ATOM    252  O   VAL A  35      10.411  16.313  -3.370  1.00  9.03           O  
ATOM    253  CB  VAL A  35      10.720  18.753  -5.084  1.00  6.18           C  
ATOM    254  CG1 VAL A  35       9.729  18.409  -6.225  1.00  7.82           C  
ATOM    255  CG2 VAL A  35      11.240  20.191  -5.261  1.00  9.81           C  
ATOM    256  N   VAL A  36       8.244  16.962  -3.657  1.00  6.50           N  
ATOM    257  CA  VAL A  36       7.733  15.591  -3.500  1.00  7.19           C  
ATOM    258  C   VAL A  36       6.981  15.114  -4.750  1.00  7.11           C  
ATOM    259  O   VAL A  36       6.393  15.917  -5.500  1.00  7.92           O  
ATOM    260  CB  VAL A  36       6.794  15.486  -2.259  1.00  6.42           C  
ATOM    261  CG1 VAL A  36       7.608  15.763  -0.949  1.00  8.46           C  
ATOM    262  CG2 VAL A  36       5.664  16.550  -2.301  1.00  9.17           C  
ATOM    263  N   GLU A  37       6.946  13.786  -4.906  1.00  7.22           N  
ATOM    264  CA  GLU A  37       6.293  13.144  -6.050  1.00  7.73           C  
ATOM    265  C   GLU A  37       5.563  11.948  -5.472  1.00  8.70           C  
ATOM    266  O   GLU A  37       6.036  11.325  -4.527  1.00  8.68           O  
ATOM    267  CB  GLU A  37       7.373  12.675  -7.069  1.00  7.09           C  
ATOM    268  CG  GLU A  37       6.756  12.064  -8.349  1.00  8.67           C  
ATOM    269  CD  GLU A  37       7.802  11.605  -9.309  1.00  9.46           C  
ATOM    270  OE1 GLU A  37       8.905  12.182  -9.371  1.00 12.69           O  
ATOM    271  OE2 GLU A  37       7.526  10.636 -10.036  1.00 12.67           O  
ATOM    272  N   CYS A  38       4.432  11.571  -6.068  1.00  8.02           N  
ATOM    273  CA  CYS A  38       3.696  10.415  -5.592  1.00  8.50           C  
ATOM    274  C   CYS A  38       4.343   9.137  -6.095  1.00 10.80           C  
ATOM    275  O   CYS A  38       4.313   8.859  -7.292  1.00 12.25           O  
ATOM    276  CB  CYS A  38       2.254  10.555  -6.066  1.00  8.55           C  
ATOM    277  SG  CYS A  38       1.217   9.210  -5.383  1.00 11.11           S  
ATOM    278  N   LYS A  39       4.942   8.405  -5.180  1.00 10.31           N  
ATOM    279  CA  LYS A  39       5.615   7.142  -5.513  1.00 10.91           C  
ATOM    280  C   LYS A  39       5.194   6.078  -4.507  1.00 10.60           C  
ATOM    281  O   LYS A  39       5.267   6.273  -3.301  1.00 12.23           O  
ATOM    282  CB  LYS A  39       7.139   7.315  -5.442  1.00 12.67           C  
ATOM    283  CG  LYS A  39       7.662   8.360  -6.440  1.00 14.06           C  
ATOM    284  CD  LYS A  39       9.178   8.508  -6.280  1.00 24.61           C  
ATOM    285  CE  LYS A  39       9.774   9.136  -7.495  1.00 30.97           C  
ATOM    286  NZ  LYS A  39       9.672   8.224  -8.666  1.00 36.32           N  
ATOM    287  N   GLY A  40       4.748   4.944  -5.033  1.00 14.22           N  
ATOM    288  CA  GLY A  40       4.349   3.876  -4.121  1.00 16.11           C  
ATOM    289  C   GLY A  40       3.270   4.291  -3.129  1.00 13.96           C  
ATOM    290  O   GLY A  40       3.249   3.828  -1.982  1.00 16.47           O  
ATOM    291  N   GLY A  41       2.397   5.182  -3.584  1.00 12.37           N  
ATOM    292  CA  GLY A  41       1.283   5.620  -2.782  1.00 12.71           C  
ATOM    293  C   GLY A  41       1.545   6.635  -1.716  1.00 10.42           C  
ATOM    294  O   GLY A  41       0.657   6.914  -0.925  1.00 11.91           O  
ATOM    295  N   LYS A  42       2.764   7.166  -1.682  1.00  9.09           N  
ATOM    296  CA  LYS A  42       3.100   8.169  -0.699  1.00 10.40           C  
ATOM    297  C   LYS A  42       3.840   9.339  -1.326  1.00  9.20           C  
ATOM    298  O   LYS A  42       4.608   9.159  -2.280  1.00  9.26           O  
ATOM    299  CB  LYS A  42       4.016   7.553   0.372  1.00 12.72           C  
ATOM    300  CG  LYS A  42       3.408   6.355   1.103  1.00 19.73           C  
ATOM    301  CD  LYS A  42       2.215   6.742   1.989  1.00 27.50           C  
ATOM    302  CE  LYS A  42       1.580   5.502   2.668  1.00 35.05           C  
ATOM    303  NZ  LYS A  42       0.129   5.714   3.093  1.00 35.77           N  
ATOM    304  N   TRP A  43       3.582  10.540  -0.806  1.00  8.38           N  
ATOM    305  CA  TRP A  43       4.363  11.703  -1.264  1.00  9.62           C  
ATOM    306  C   TRP A  43       5.800  11.498  -0.820  1.00  9.42           C  
ATOM    307  O   TRP A  43       6.103  11.431   0.354  1.00 10.24           O  
ATOM    308  CB  TRP A  43       3.806  13.018  -0.708  1.00  8.25           C  
ATOM    309  CG  TRP A  43       2.517  13.364  -1.373  1.00  7.96           C  
ATOM    310  CD1 TRP A  43       1.258  13.311  -0.809  1.00  7.47           C  
ATOM    311  CD2 TRP A  43       2.342  13.758  -2.726  1.00  8.27           C  
ATOM    312  NE1 TRP A  43       0.325  13.646  -1.740  1.00  6.76           N  
ATOM    313  CE2 TRP A  43       0.954  13.924  -2.927  1.00  7.26           C  
ATOM    314  CE3 TRP A  43       3.215  13.986  -3.801  1.00  8.29           C  
ATOM    315  CZ2 TRP A  43       0.418  14.288  -4.155  1.00  6.81           C  
ATOM    316  CZ3 TRP A  43       2.667  14.341  -5.054  1.00  6.60           C  
ATOM    317  CH2 TRP A  43       1.284  14.479  -5.200  1.00  7.65           C  
ATOM    318  N   THR A  44       6.709  11.422  -1.773  1.00  8.44           N  
ATOM    319  CA  THR A  44       8.104  11.042  -1.512  1.00  9.22           C  
ATOM    320  C   THR A  44       8.996  12.156  -1.954  1.00  8.76           C  
ATOM    321  O   THR A  44       8.861  12.673  -3.078  1.00  9.04           O  
ATOM    322  CB  THR A  44       8.374   9.767  -2.346  1.00 11.89           C  
ATOM    323  OG1 THR A  44       7.480   8.729  -1.923  1.00 12.33           O  
ATOM    324  CG2 THR A  44       9.786   9.238  -2.162  1.00 13.52           C  
ATOM    325  N   GLU A  45       9.934  12.523  -1.094  1.00  8.76           N  
ATOM    326  CA  GLU A  45      10.839  13.624  -1.454  1.00  8.88           C  
ATOM    327  C   GLU A  45      11.804  13.185  -2.552  1.00 10.53           C  
ATOM    328  O   GLU A  45      12.499  12.163  -2.393  1.00 12.28           O  
ATOM    329  CB  GLU A  45      11.614  14.109  -0.226  1.00  8.72           C  
ATOM    330  CG  GLU A  45      12.482  15.331  -0.535  1.00 10.70           C  
ATOM    331  CD  GLU A  45      13.046  15.956   0.704  1.00 10.42           C  
ATOM    332  OE1 GLU A  45      14.226  15.677   1.019  1.00 13.14           O  
ATOM    333  OE2 GLU A  45      12.305  16.697   1.378  1.00 11.13           O  
ATOM    334  N   VAL A  46      11.766  13.927  -3.658  1.00  8.94           N  
ATOM    335  CA  VAL A  46      12.649  13.653  -4.807  1.00  8.36           C  
ATOM    336  C   VAL A  46      13.790  14.650  -4.954  1.00  9.09           C  
ATOM    337  O   VAL A  46      14.743  14.407  -5.727  1.00 12.71           O  
ATOM    338  CB  VAL A  46      11.861  13.535  -6.140  1.00  9.41           C  
ATOM    339  CG1 VAL A  46      10.943  12.297  -6.094  1.00 11.06           C  
ATOM    340  CG2 VAL A  46      11.077  14.785  -6.418  1.00 11.59           C  
ATOM    341  N   GLN A  47      13.724  15.753  -4.210  1.00  7.72           N  
ATOM    342  CA  GLN A  47      14.822  16.697  -4.191  1.00  8.89           C  
ATOM    343  C   GLN A  47      14.764  17.409  -2.871  1.00 10.24           C  
ATOM    344  O   GLN A  47      13.694  17.827  -2.404  1.00  9.72           O  
ATOM    345  CB  GLN A  47      14.744  17.724  -5.309  1.00  8.70           C  
ATOM    346  CG  GLN A  47      15.993  18.658  -5.311  1.00 11.07           C  
ATOM    347  CD  GLN A  47      15.965  19.684  -6.456  1.00 14.95           C  
ATOM    348  OE1 GLN A  47      15.187  19.574  -7.419  1.00 13.90           O  
ATOM    349  NE2 GLN A  47      16.828  20.679  -6.362  1.00 13.60           N  
ATOM    350  N   ASP A  48      15.914  17.500  -2.213  1.00  9.86           N  
ATOM    351  CA  ASP A  48      16.014  18.227  -0.960  1.00  8.47           C  
ATOM    352  C   ASP A  48      16.480  19.634  -1.274  1.00  9.52           C  
ATOM    353  O   ASP A  48      17.631  19.828  -1.706  1.00 11.33           O  
ATOM    354  CB  ASP A  48      17.053  17.548  -0.053  1.00  8.77           C  
ATOM    355  CG  ASP A  48      17.022  18.037   1.365  1.00 12.21           C  
ATOM    356  OD1 ASP A  48      16.368  19.070   1.658  1.00 10.22           O  
ATOM    357  OD2 ASP A  48      17.682  17.401   2.245  1.00 10.19           O  
ATOM    358  N   CYS A  49      15.601  20.620  -1.093  1.00  8.39           N  
ATOM    359  CA  CYS A  49      15.957  22.000  -1.326  1.00  8.57           C  
ATOM    360  C   CYS A  49      16.881  22.537  -0.257  1.00 10.53           C  
ATOM    361  O   CYS A  49      17.544  23.538  -0.466  1.00 10.14           O  
ATOM    362  CB  CYS A  49      14.675  22.866  -1.392  1.00  7.77           C  
ATOM    363  SG  CYS A  49      13.459  22.342  -2.624  1.00  9.03           S  
ATOM    364  N   GLY A  50      16.909  21.847   0.883  1.00  9.49           N  
ATOM    365  CA  GLY A  50      17.750  22.284   2.005  1.00 11.02           C  
ATOM    366  C   GLY A  50      17.006  23.361   2.751  1.00 10.45           C  
ATOM    367  O   GLY A  50      16.408  23.084   3.797  1.00 13.44           O  
ATOM    368  N   SER A  51      17.059  24.566   2.204  1.00 10.57           N  
ATOM    369  CA  SER A  51      16.278  25.679   2.749  1.00 10.79           C  
ATOM    370  C   SER A  51      14.820  25.582   2.204  1.00 10.03           C  
ATOM    371  O   SER A  51      14.502  24.768   1.295  1.00  9.51           O  
ATOM    372  CB  SER A  51      16.912  26.987   2.336  1.00 13.94           C  
ATOM    373  OG  SER A  51      16.981  27.023   0.899  1.00 18.27           O  
ATOM    374  N   SER A  52      13.953  26.412   2.778  1.00  9.06           N  
ATOM    375  CA  SER A  52      12.508  26.399   2.493  1.00  8.50           C  
ATOM    376  C   SER A  52      12.149  27.118   1.207  1.00  7.52           C  
ATOM    377  O   SER A  52      11.296  27.980   1.229  1.00  8.00           O  
ATOM    378  CB  SER A  52      11.769  27.044   3.677  1.00  8.22           C  
ATOM    379  OG  SER A  52      12.352  28.307   4.003  1.00  9.70           O  
ATOM    380  N   SER A  53      12.804  26.753   0.107  1.00  8.24           N  
ATOM    381  CA  SER A  53      12.643  27.490  -1.130  1.00  8.18           C  
ATOM    382  C   SER A  53      11.713  26.949  -2.187  1.00  7.65           C  
ATOM    383  O   SER A  53      11.513  27.599  -3.228  1.00  8.74           O  
ATOM    384  CB  SER A  53      14.025  27.676  -1.768  1.00  9.20           C  
ATOM    385  OG  SER A  53      14.485  26.411  -2.251  1.00 10.03           O  
ATOM    386  N   CYS A  54      11.145  25.770  -1.965  1.00  6.67           N  
ATOM    387  CA  CYS A  54      10.309  25.161  -3.023  1.00  8.25           C  
ATOM    388  C   CYS A  54       9.107  26.013  -3.417  1.00  7.37           C  
ATOM    389  O   CYS A  54       8.493  26.647  -2.554  1.00  8.66           O  
ATOM    390  CB  CYS A  54       9.833  23.792  -2.526  1.00  8.30           C  
ATOM    391  SG  CYS A  54       8.859  22.821  -3.732  1.00  8.89           S  
ATOM    392  N   LYS A  55       8.793  26.028  -4.718  1.00  6.58           N  
ATOM    393  CA  LYS A  55       7.552  26.692  -5.180  1.00  8.98           C  
ATOM    394  C   LYS A  55       7.002  25.902  -6.365  1.00  7.00           C  
ATOM    395  O   LYS A  55       7.757  25.327  -7.158  1.00  8.60           O  
ATOM    396  CB  LYS A  55       7.736  28.162  -5.606  1.00 10.32           C  
ATOM    397  CG  LYS A  55       8.698  28.362  -6.771  1.00 12.13           C  
ATOM    398  CD  LYS A  55      10.154  28.376  -6.208  1.00 13.51           C  
ATOM    399  CE  LYS A  55      11.169  28.971  -7.162  1.00 20.08           C  
ATOM    400  NZ  LYS A  55      12.528  28.870  -6.581  1.00 18.23           N  
ATOM    401  N   GLY A  56       5.675  25.871  -6.483  1.00  9.93           N  
ATOM    402  CA  GLY A  56       5.064  25.205  -7.601  1.00 11.18           C  
ATOM    403  C   GLY A  56       3.673  25.748  -7.777  1.00  8.18           C  
ATOM    404  O   GLY A  56       3.346  26.888  -7.395  1.00 10.54           O  
ATOM    405  N   THR A  57       2.836  24.922  -8.392  1.00  8.26           N  
ATOM    406  CA  THR A  57       1.461  25.320  -8.651  1.00  8.85           C  
ATOM    407  C   THR A  57       0.497  24.236  -8.194  1.00  9.62           C  
ATOM    408  O   THR A  57       0.880  23.120  -7.817  1.00  9.37           O  
ATOM    409  CB  THR A  57       1.184  25.547 -10.179  1.00 10.25           C  
ATOM    410  OG1 THR A  57       1.018  24.285 -10.862  1.00 10.82           O  
ATOM    411  CG2 THR A  57       2.326  26.303 -10.836  1.00 10.88           C  
ATOM    412  N   SER A  58      -0.792  24.557  -8.254  1.00  8.99           N  
ATOM    413  CA  SER A  58      -1.812  23.604  -7.871  1.00  8.79           C  
ATOM    414  C   SER A  58      -1.859  22.385  -8.803  1.00  9.98           C  
ATOM    415  O   SER A  58      -2.469  21.382  -8.462  1.00 11.43           O  
ATOM    416  CB  SER A  58      -3.188  24.288  -7.881  1.00 13.48           C  
ATOM    417  OG  SER A  58      -3.513  24.693  -9.206  1.00 15.52           O  
ATOM    418  N   ASN A  59      -1.178  22.491  -9.940  1.00  8.15           N  
ATOM    419  CA  ASN A  59      -1.165  21.390 -10.899  1.00  9.90           C  
ATOM    420  C   ASN A  59       0.181  20.703 -10.954  1.00 10.15           C  
ATOM    421  O   ASN A  59       0.388  19.833 -11.802  1.00 11.21           O  
ATOM    422  CB  ASN A  59      -1.487  21.959 -12.298  1.00 10.31           C  
ATOM    423  CG  ASN A  59      -2.959  22.258 -12.462  1.00 11.02           C  
ATOM    424  OD1 ASN A  59      -3.754  21.356 -12.408  1.00 12.14           O  
ATOM    425  ND2 ASN A  59      -3.320  23.537 -12.614  1.00 14.94           N  
ATOM    426  N   GLY A  60       1.073  21.069 -10.028  1.00  9.71           N  
ATOM    427  CA  GLY A  60       2.423  20.498 -10.033  1.00 11.17           C  
ATOM    428  C   GLY A  60       3.445  21.516 -10.521  1.00 10.71           C  
ATOM    429  O   GLY A  60       3.247  22.721 -10.383  1.00 13.03           O  
ATOM    430  N   GLY A  61       4.552  21.044 -11.073  1.00  9.11           N  
ATOM    431  CA  GLY A  61       5.602  21.945 -11.542  1.00 11.21           C  
ATOM    432  C   GLY A  61       6.527  22.478 -10.455  1.00 10.05           C  
ATOM    433  O   GLY A  61       7.266  23.440 -10.695  1.00 11.66           O  
ATOM    434  N   ALA A  62       6.483  21.891  -9.262  1.00  8.63           N  
ATOM    435  CA  ALA A  62       7.364  22.405  -8.205  1.00  7.45           C  
ATOM    436  C   ALA A  62       8.865  22.234  -8.500  1.00  8.12           C  
ATOM    437  O   ALA A  62       9.303  21.234  -9.068  1.00  9.88           O  
ATOM    438  CB  ALA A  62       7.042  21.720  -6.880  1.00  8.04           C  
ATOM    439  N   THR A  63       9.597  23.238  -8.068  1.00  7.44           N  
ATOM    440  CA  THR A  63      11.068  23.225  -8.151  1.00  7.74           C  
ATOM    441  C   THR A  63      11.595  23.862  -6.873  1.00 10.81           C  
ATOM    442  O   THR A  63      10.885  24.563  -6.148  1.00  9.88           O  
ATOM    443  CB  THR A  63      11.657  24.049  -9.317  1.00  8.14           C  
ATOM    444  OG1 THR A  63      11.375  25.417  -9.104  1.00 12.88           O  
ATOM    445  CG2 THR A  63      11.092  23.621 -10.656  1.00 10.44           C  
ATOM    446  N   CYS A  64      12.856  23.607  -6.577  1.00  9.91           N  
ATOM    447  CA  CYS A  64      13.483  24.267  -5.454  1.00 10.53           C  
ATOM    448  C   CYS A  64      13.738  25.750  -5.785  1.00 13.56           C  
ATOM    449  O   CYS A  64      14.189  26.505  -4.923  1.00 12.00           O  
ATOM    450  CB  CYS A  64      14.794  23.566  -5.098  1.00 12.08           C  
ATOM    451  SG  CYS A  64      14.537  21.952  -4.271  1.00 11.75           S  
ATOM    452  OXT CYS A  64      13.470  26.182  -6.936  1.00 15.52           O  
TER     453      CYS A  64                                                      
HETATM  454  O   HOH A2001      -2.079  10.211   4.638  1.00 19.72           O  
HETATM  455  O   HOH A2002      -2.183  14.855   7.025  1.00 40.09           O  
HETATM  456  O   HOH A2003      -0.501  10.163   6.801  1.00 48.86           O  
HETATM  457  O   HOH A2004      -4.440  18.486   7.198  1.00 39.83           O  
HETATM  458  O   HOH A2005      -6.974  22.834   4.267  1.00 45.78           O  
HETATM  459  O   HOH A2006      -6.479  25.386   3.503  1.00 45.44           O  
HETATM  460  O   HOH A2007      -5.831  18.183   4.752  1.00 47.24           O  
HETATM  461  O   HOH A2008      -1.814  17.425   6.509  1.00 19.05           O  
HETATM  462  O   HOH A2009      -5.572  15.962   2.637  1.00 22.94           O  
HETATM  463  O   HOH A2010      -4.790  21.834   3.210  1.00 34.73           O  
HETATM  464  O   HOH A2011       6.621  20.540   8.018  1.00 32.52           O  
HETATM  465  O   HOH A2012      -5.082  23.011  -0.553  1.00 37.79           O  
HETATM  466  O   HOH A2013      -1.313  22.006   1.284  1.00 15.43           O  
HETATM  467  O   HOH A2014      -1.717  21.315   9.335  1.00 39.99           O  
HETATM  468  O   HOH A2015       3.372   4.850 -14.469  1.00 39.52           O  
HETATM  469  O   HOH A2016      -5.458  22.018   9.140  1.00 40.01           O  
HETATM  470  O   HOH A2017      -2.205  23.890   9.925  1.00 40.93           O  
HETATM  471  O   HOH A2018      -7.393  22.146   7.022  1.00 43.65           O  
HETATM  472  O   HOH A2019      -6.393  19.356  -3.150  1.00 36.02           O  
HETATM  473  O   HOH A2020       8.120  17.760   7.013  1.00 39.10           O  
HETATM  474  O   HOH A2021       0.843  12.305   7.123  1.00 36.05           O  
HETATM  475  O   HOH A2022      10.299   6.397   0.385  1.00 43.38           O  
HETATM  476  O   HOH A2023       2.726  28.000   5.777  1.00 27.56           O  
HETATM  477  O   HOH A2024       0.689  30.605   6.398  1.00 17.97           O  
HETATM  478  O   HOH A2025      17.518  26.969   9.014  1.00 47.75           O  
HETATM  479  O   HOH A2026      -3.564  23.441   1.934  1.00 32.28           O  
HETATM  480  O   HOH A2027       5.567  23.207   7.736  1.00 23.59           O  
HETATM  481  O   HOH A2028       2.085  21.420   9.736  1.00 36.30           O  
HETATM  482  O   HOH A2029      -4.567  26.106   0.227  1.00 38.93           O  
HETATM  483  O   HOH A2030      -1.486   3.373  -3.931  1.00 33.49           O  
HETATM  484  O   HOH A2031       3.742  28.591 -13.355  1.00 47.42           O  
HETATM  485  O   HOH A2032       2.226   7.013 -12.755  1.00 31.58           O  
HETATM  486  O   HOH A2033       8.052  28.452 -14.240  1.00 47.45           O  
HETATM  487  O   HOH A2034       7.528  18.217 -12.833  1.00 21.47           O  
HETATM  488  O   HOH A2035       5.779  13.364 -19.491  1.00 37.60           O  
HETATM  489  O   HOH A2036       9.323  11.880 -18.223  1.00 31.68           O  
HETATM  490  O   HOH A2037       6.419   7.861 -13.932  1.00 38.99           O  
HETATM  491  O   HOH A2038       3.866  28.865  -3.951  1.00 13.49           O  
HETATM  492  O   HOH A2039       2.895  28.179   1.709  1.00 12.95           O  
HETATM  493  O   HOH A2040       8.804  26.190   8.568  1.00 44.29           O  
HETATM  494  O   HOH A2041      10.494  16.878   4.619  1.00 41.19           O  
HETATM  495  O   HOH A2042      -4.792  21.431  -3.053  1.00 45.44           O  
HETATM  496  O   HOH A2043      -5.172  17.087  -6.654  1.00 27.92           O  
HETATM  497  O   HOH A2044      -5.526  16.857  -3.926  1.00 23.53           O  
HETATM  498  O   HOH A2045      -3.781  21.319  -5.764  1.00 24.08           O  
HETATM  499  O   HOH A2046      -4.082  15.977  -1.746  1.00 11.78           O  
HETATM  500  O   HOH A2047       6.408   6.227  -9.726  1.00 30.24           O  
HETATM  501  O   HOH A2048      13.674  11.114  -8.439  1.00 45.27           O  
HETATM  502  O   HOH A2049       4.549  19.792   9.569  1.00 39.83           O  
HETATM  503  O   HOH A2050       3.936  15.364   8.798  1.00 37.08           O  
HETATM  504  O   HOH A2051       1.823   2.753  -6.624  1.00 40.66           O  
HETATM  505  O   HOH A2052       6.193  17.908   4.160  1.00 13.85           O  
HETATM  506  O   HOH A2053       3.564  12.539   7.073  1.00 41.89           O  
HETATM  507  O   HOH A2054      14.214  11.526   1.578  1.00 38.41           O  
HETATM  508  O   HOH A2055      12.006  12.296   3.050  1.00 28.04           O  
HETATM  509  O   HOH A2056      11.357   8.650   1.357  1.00 36.53           O  
HETATM  510  O   HOH A2057      12.688   7.353  -2.921  1.00 46.88           O  
HETATM  511  O   HOH A2058      13.643  15.694  -9.351  1.00 40.59           O  
HETATM  512  O   HOH A2059      18.627  24.780  -6.642  1.00 49.20           O  
HETATM  513  O   HOH A2060      14.209  22.040 -11.262  1.00 45.99           O  
HETATM  514  O   HOH A2061      14.508  23.181   8.009  1.00 35.67           O  
HETATM  515  O   HOH A2062      17.315  26.164   6.521  1.00 21.80           O  
HETATM  516  O   HOH A2063      -1.080   5.723  -5.371  1.00 16.03           O  
HETATM  517  O   HOH A2064       2.798  30.072 -10.460  1.00 46.02           O  
HETATM  518  O   HOH A2065       0.991   6.910 -10.461  1.00 36.54           O  
HETATM  519  O   HOH A2066       9.778  26.312 -13.065  1.00 33.05           O  
HETATM  520  O   HOH A2067      10.057  21.510 -13.661  1.00 38.22           O  
HETATM  521  O   HOH A2068      -6.142   8.816  -8.982  1.00 20.62           O  
HETATM  522  O   HOH A2069      -2.727  15.642  -5.209  1.00 10.36           O  
HETATM  523  O   HOH A2070      -3.086  16.153  -8.637  1.00 13.19           O  
HETATM  524  O   HOH A2071       4.351   8.495 -12.330  1.00 18.58           O  
HETATM  525  O   HOH A2072       4.838  14.488 -16.966  1.00 17.65           O  
HETATM  526  O   HOH A2073       7.923  15.372 -12.955  1.00 19.41           O  
HETATM  527  O   HOH A2074       6.412  11.467 -17.705  1.00 28.05           O  
HETATM  528  O   HOH A2075       7.953  10.069 -14.661  1.00 30.21           O  
HETATM  529  O   HOH A2076       6.816  16.161 -15.593  1.00 25.03           O  
HETATM  530  O   HOH A2077      -5.081  18.290 -11.611  1.00 15.29           O  
HETATM  531  O   HOH A2078       3.071  12.878  -8.172  1.00  9.33           O  
HETATM  532  O   HOH A2079       6.029  26.439   5.084  1.00 20.52           O  
HETATM  533  O   HOH A2080      10.097  25.968   6.496  1.00 29.49           O  
HETATM  534  O   HOH A2081       9.203  20.026   2.218  1.00 12.13           O  
HETATM  535  O   HOH A2082       9.198  20.938   9.262  1.00 37.51           O  
HETATM  536  O   HOH A2083       7.091  19.519   5.630  1.00 19.50           O  
HETATM  537  O   HOH A2084      11.158  18.614   6.425  1.00 35.19           O  
HETATM  538  O   HOH A2085       6.133  28.300   3.046  1.00 14.44           O  
HETATM  539  O   HOH A2086      11.334  11.164  -9.652  1.00 32.18           O  
HETATM  540  O   HOH A2087       9.174  10.534 -12.289  1.00 35.09           O  
HETATM  541  O   HOH A2088       5.538   8.814  -9.822  1.00 14.64           O  
HETATM  542  O   HOH A2089       2.748   6.851  -8.311  1.00 25.96           O  
HETATM  543  O   HOH A2090      11.422   8.965 -11.639  1.00 45.60           O  
HETATM  544  O   HOH A2091       4.710   4.845  -7.965  1.00 31.51           O  
HETATM  545  O   HOH A2092       1.563   5.460  -6.257  1.00 20.04           O  
HETATM  546  O   HOH A2093      -1.206   5.384   0.376  1.00 30.19           O  
HETATM  547  O   HOH A2094      -3.349   5.257   4.100  1.00 28.17           O  
HETATM  548  O   HOH A2095       0.984   7.508   4.970  1.00 46.96           O  
HETATM  549  O   HOH A2096      15.653  13.644  -0.041  1.00 16.71           O  
HETATM  550  O   HOH A2097      14.464  14.311   3.340  1.00 33.07           O  
HETATM  551  O   HOH A2098      13.264   9.873  -3.964  1.00 27.56           O  
HETATM  552  O   HOH A2099       9.802  17.300   2.175  1.00 16.57           O  
HETATM  553  O   HOH A2100      10.161  11.101   1.437  1.00 16.41           O  
HETATM  554  O   HOH A2101      14.542  11.407  -0.921  1.00 37.12           O  
HETATM  555  O   HOH A2102      14.086  21.834  -8.534  1.00 15.59           O  
HETATM  556  O   HOH A2103      17.328  23.018  -8.294  1.00 34.16           O  
HETATM  557  O   HOH A2104      12.970  17.969  -8.143  1.00 15.68           O  
HETATM  558  O   HOH A2105      18.441  21.160  -3.953  1.00 16.10           O  
HETATM  559  O   HOH A2106      17.642  15.918   4.559  1.00 14.05           O  
HETATM  560  O   HOH A2107      19.264  15.356   1.434  1.00  9.58           O  
HETATM  561  O   HOH A2108      16.681  23.508   6.428  1.00 13.59           O  
HETATM  562  O   HOH A2109      19.910  26.005   0.798  1.00 33.82           O  
HETATM  563  O   HOH A2110      15.117  27.309   5.366  1.00 15.58           O  
HETATM  564  O   HOH A2111      17.135  25.576  -2.312  1.00 17.04           O  
HETATM  565  O   HOH A2112       8.918  29.454  -2.517  1.00  9.67           O  
HETATM  566  O   HOH A2113      12.997  32.149  -7.072  1.00 28.12           O  
HETATM  567  O   HOH A2114       5.089  28.893  -8.447  1.00 25.63           O  
HETATM  568  O   HOH A2115       3.601  22.174  -7.261  1.00 16.03           O  
HETATM  569  O   HOH A2116      -3.056  18.739  -9.725  1.00 14.68           O  
HETATM  570  O   HOH A2117      -1.257  27.347  -8.420  1.00 16.49           O  
HETATM  571  O   HOH A2118      -3.997  28.001  -8.045  1.00 33.78           O  
HETATM  572  O   HOH A2119      -6.153  24.968  -9.367  1.00 49.14           O  
HETATM  573  O   HOH A2120       2.566  18.934 -13.363  1.00  9.63           O  
HETATM  574  O   HOH A2121      -1.885  25.773 -11.678  1.00 23.74           O  
HETATM  575  O   HOH A2122      -6.281  21.014 -11.343  1.00 31.62           O  
HETATM  576  O   HOH A2123       8.408  24.015 -13.169  1.00 28.19           O  
HETATM  577  O   HOH A2124       8.403  25.829 -10.219  1.00 25.73           O  
HETATM  578  O   HOH A2125       5.172  18.495 -12.045  1.00 11.86           O  
HETATM  579  O   HOH A2126      11.114  19.247  -9.679  1.00 10.69           O  
HETATM  580  O   HOH A2127       8.454  20.175 -11.553  1.00 15.99           O  
HETATM  581  O   HOH A2128      15.798  28.516  -5.406  1.00 25.21           O  
HETATM  582  O   HOH A2129      15.522  25.200  -8.891  1.00 46.40           O  
CONECT   21  218                                                                
CONECT  132  277                                                                
CONECT  208  391                                                                
CONECT  218   21                                                                
CONECT  277  132                                                                
CONECT  363  451                                                                
CONECT  391  208                                                                
CONECT  451  363                                                                
MASTER      268    0    0    1    5    0    0    6  581    1    8    5          
END                                                                             
