HEADER    LIGASE                                  06-NOV-14   4RR6              
TITLE     N-TERMINAL EDITING DOMAIN OF THREONYL-TRNA SYNTHETASE FROM AEROPYRUM  
TITLE    2 PERNIX WITH L-SER3AA (SNAPSHOT 1)                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROBABLE THREONINE--TRNA LIGASE 2;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 1-136;                                        
COMPND   5 SYNONYM: THREONYL-TRNA SYNTHETASE 2, THRRS 2;                        
COMPND   6 EC: 6.1.1.3;                                                         
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX K1;                            
SOURCE   3 ORGANISM_TAXID: 272557;                                              
SOURCE   4 STRAIN: ATCC 700893 / DSM 11879 / JCM 9820 / NBRC 100138 / K1;       
SOURCE   5 GENE: THRS2, APE_0117.1;                                             
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    DTD-LIKE, PROOFREADING, LIGASE                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.AHMAD,S.MUTHUKUMAR,A.S.K.YERABHAM,V.KAMARTHAPU,R.SANKARANARAYANAN   
REVDAT   3   28-FEB-24 4RR6    1       REMARK                                   
REVDAT   2   22-NOV-17 4RR6    1       REMARK                                   
REVDAT   1   15-JUL-15 4RR6    0                                                
JRNL        AUTH   S.AHMAD,S.MUTHUKUMAR,S.K.KUNCHA,S.B.ROUTH,A.S.YERABHAM,      
JRNL        AUTH 2 T.HUSSAIN,V.KAMARTHAPU,S.P.KRUPARANI,R.SANKARANARAYANAN      
JRNL        TITL   SPECIFICITY AND CATALYSIS HARDWIRED AT THE RNA-PROTEIN       
JRNL        TITL 2 INTERFACE IN A TRANSLATIONAL PROOFREADING ENZYME.            
JRNL        REF    NAT COMMUN                    V.   6  7552 2015              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   26113036                                                     
JRNL        DOI    10.1038/NCOMMS8552                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.88 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0109                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.88                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 25.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 10328                          
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) : 0.181                           
REMARK   3   R VALUE            (WORKING SET) : 0.179                           
REMARK   3   FREE R VALUE                     : 0.221                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 523                             
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) : 1.88                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.93                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 725                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.87                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.3390                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 26                           
REMARK   3   BIN FREE R VALUE                    : 0.4550                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1068                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 25                                      
REMARK   3   SOLVENT ATOMS            : 153                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 27.84                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.27000                                              
REMARK   3    B22 (A**2) : 0.27000                                              
REMARK   3    B33 (A**2) : -0.53000                                             
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 OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.165         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.147         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.102         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.563         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.964                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.950                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1124 ; 0.016 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1529 ; 1.621 ; 1.997       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   135 ; 5.929 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    44 ;41.287 ;21.591       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   175 ;14.048 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     8 ;19.867 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   167 ; 0.103 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   853 ; 0.009 ; 0.022       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
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):   688 ; 0.882 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1108 ; 1.632 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   436 ; 2.820 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   421 ; 4.481 ; 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):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS                                                           
REMARK   4                                                                      
REMARK   4 4RR6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-NOV-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000087695.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 17-JUN-11                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
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 MICROMAX-007 HF             
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : MIRRORS                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MAR SCANNER 345 MM PLATE           
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 10328                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.880                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 25.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP, PHASER                                        
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.03                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS, 0.2M MGCL2, 30% PEG4000, PH   
REMARK 280  8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+1/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+3/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+1/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+3/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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       56.31950            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       23.47800            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       23.47800            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       28.15975            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       23.47800            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       23.47800            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       84.47925            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       23.47800            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       23.47800            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       28.15975            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       23.47800            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       23.47800            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       84.47925            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       56.31950            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3640 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11460 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -2.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  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      HOH A 744  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 750  LIES ON A SPECIAL POSITION.                          
REMARK 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     MET A   86   CG   SD   CE                                        
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    ARG A  91   NE  -  CZ  -  NH1 ANGL. DEV. =  -3.5 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    VAL A  16     -113.13   -125.59                                   
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 A3S A 500                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4RR7   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RR8   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RR9   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRA   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRB   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRC   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRD   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRF   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRG   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRH   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRI   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRJ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRK   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRL   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRM   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRQ   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4RRR   RELATED DB: PDB                                   
DBREF  4RR6 A    1   136  UNP    Q9YFY3   SYT2_AERPE       1    136             
SEQRES   1 A  136  MET ARG LEU LEU TYR LEU HIS ALA ASP ARG PHE GLU TYR          
SEQRES   2 A  136  LYS THR VAL LYS PRO ALA LEU LYS ASN PRO PRO ASP PRO          
SEQRES   3 A  136  PRO GLY GLU ALA SER PHE GLY GLU ALA LEU VAL VAL PHE          
SEQRES   4 A  136  THR THR VAL GLU ASP GLY ASP GLY PRO GLN THR VAL MET          
SEQRES   5 A  136  TYR ALA ALA SER ASP ILE ALA SER HIS SER SER ARG LEU          
SEQRES   6 A  136  LYS VAL THR THR VAL ILE LEU TYR PRO TYR ALA HIS LEU          
SEQRES   7 A  136  SER SER ARG LEU ALA LYS PRO MET ALA ALA HIS LYS ARG          
SEQRES   8 A  136  LEU ILE GLU LEU GLU GLY ALA LEU ARG THR LYS PHE PRO          
SEQRES   9 A  136  GLY HIS VAL HIS ARG ALA PRO PHE GLY TRP TYR LYS SER          
SEQRES  10 A  136  PHE SER ILE ALA CYS LYS GLY HIS PRO LEU ALA GLU LEU          
SEQRES  11 A  136  SER ARG SER PHE THR GLU                                      
HET    A3S  A 500      25                                                       
HETNAM     A3S SERINE-3'-AMINOADENOSINE                                         
HETSYN     A3S N'-L-SERYL-3'-AMINO-(3'-DEOXY)-ADENOSINE                         
FORMUL   2  A3S    C13 H19 N7 O5                                                
FORMUL   3  HOH   *153(H2 O)                                                    
HELIX    1   1 GLY A   47  LEU A   65  1                                  19    
HELIX    2   2 LYS A   84  THR A  101  1                                  18    
SHEET    1   A 3 GLU A  29  PHE A  32  0                                        
SHEET    2   A 3 ARG A   2  PRO A  18 -1  N  PHE A  11   O  PHE A  32           
SHEET    3   A 3 TRP A 114  CYS A 122 -1  O  ALA A 121   N  ASP A   9           
SHEET    1   B 5 HIS A 106  ARG A 109  0                                        
SHEET    2   B 5 THR A  69  PRO A  74  1  N  VAL A  70   O  HIS A 108           
SHEET    3   B 5 ALA A  35  THR A  41  1  N  VAL A  38   O  ILE A  71           
SHEET    4   B 5 ARG A   2  PRO A  18 -1  N  LEU A   6   O  VAL A  37           
SHEET    5   B 5 GLU A 129  SER A 133 -1  O  LEU A 130   N  TYR A   5           
SITE     1 AC1 21 ALA A  19  THR A  40  VAL A  42  PRO A  74                    
SITE     2 AC1 21 TYR A  75  ALA A  76  HIS A  77  LEU A  82                    
SITE     3 AC1 21 ALA A  83  PHE A 112  GLY A 113  TRP A 114                    
SITE     4 AC1 21 TYR A 115  LYS A 116  GLU A 129  HOH A 601                    
SITE     5 AC1 21 HOH A 603  HOH A 616  HOH A 630  HOH A 631                    
SITE     6 AC1 21 HOH A 673                                                     
CRYST1   46.956   46.956  112.639  90.00  90.00  90.00 P 41 21 2     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      0.021297  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.021297  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008878        0.00000                         
ATOM      1  N   MET A   1      18.073   6.983   6.304  1.00 15.22           N  
ATOM      2  CA  MET A   1      17.017   5.955   6.188  1.00 16.89           C  
ATOM      3  C   MET A   1      15.640   6.615   6.215  1.00 17.24           C  
ATOM      4  O   MET A   1      15.377   7.490   7.046  1.00 18.51           O  
ATOM      5  CB  MET A   1      17.141   4.951   7.344  1.00 16.53           C  
ATOM      6  CG  MET A   1      16.150   3.748   7.268  1.00 18.53           C  
ATOM      7  SD  MET A   1      16.484   2.609   8.639  1.00 20.86           S  
ATOM      8  CE  MET A   1      18.090   1.968   8.148  1.00 23.88           C  
ATOM      9  N   ARG A   2      14.782   6.220   5.276  1.00 18.13           N  
ATOM     10  CA  ARG A   2      13.426   6.772   5.171  1.00 17.46           C  
ATOM     11  C   ARG A   2      12.451   5.632   5.357  1.00 17.25           C  
ATOM     12  O   ARG A   2      12.589   4.576   4.704  1.00 18.26           O  
ATOM     13  CB  ARG A   2      13.253   7.478   3.808  1.00 17.92           C  
ATOM     14  CG  ARG A   2      11.817   8.036   3.545  1.00 21.07           C  
ATOM     15  CD  ARG A   2      11.691   9.466   4.047  1.00 25.80           C  
ATOM     16  NE  ARG A   2      10.306   9.978   4.059  1.00 27.00           N  
ATOM     17  CZ  ARG A   2      10.012  11.254   4.298  1.00 24.43           C  
ATOM     18  NH1 ARG A   2      11.005  12.119   4.493  1.00 22.16           N  
ATOM     19  NH2 ARG A   2       8.744  11.667   4.330  1.00 21.93           N  
ATOM     20  N   LEU A   3      11.460   5.810   6.240  1.00 16.62           N  
ATOM     21  CA  LEU A   3      10.515   4.712   6.578  1.00 16.86           C  
ATOM     22  C   LEU A   3       9.102   5.235   6.452  1.00 16.50           C  
ATOM     23  O   LEU A   3       8.846   6.426   6.682  1.00 17.49           O  
ATOM     24  CB  LEU A   3      10.705   4.200   8.029  1.00 15.60           C  
ATOM     25  CG  LEU A   3      12.108   3.863   8.581  1.00 18.52           C  
ATOM     26  CD1 LEU A   3      12.012   3.498  10.057  1.00 21.92           C  
ATOM     27  CD2 LEU A   3      12.629   2.676   7.864  1.00 17.31           C  
ATOM     28  N   LEU A   4       8.204   4.341   6.085  1.00 16.04           N  
ATOM     29  CA  LEU A   4       6.763   4.590   6.054  1.00 15.42           C  
ATOM     30  C   LEU A   4       6.124   3.522   6.927  1.00 16.61           C  
ATOM     31  O   LEU A   4       6.290   2.302   6.664  1.00 16.54           O  
ATOM     32  CB  LEU A   4       6.229   4.540   4.602  1.00 16.62           C  
ATOM     33  CG  LEU A   4       4.727   4.835   4.317  1.00 15.87           C  
ATOM     34  CD1 LEU A   4       4.413   6.316   4.579  1.00 18.77           C  
ATOM     35  CD2 LEU A   4       4.357   4.442   2.828  1.00 18.56           C  
ATOM     36  N   TYR A   5       5.459   3.979   7.996  1.00 17.34           N  
ATOM     37  CA  TYR A   5       4.757   3.082   8.968  1.00 18.56           C  
ATOM     38  C   TYR A   5       3.300   2.924   8.579  1.00 18.40           C  
ATOM     39  O   TYR A   5       2.521   3.911   8.649  1.00 20.40           O  
ATOM     40  CB  TYR A   5       4.790   3.678  10.366  1.00 16.84           C  
ATOM     41  CG  TYR A   5       6.155   3.827  11.023  1.00 19.47           C  
ATOM     42  CD1 TYR A   5       7.314   3.221  10.500  1.00 16.29           C  
ATOM     43  CD2 TYR A   5       6.274   4.558  12.197  1.00 20.54           C  
ATOM     44  CE1 TYR A   5       8.559   3.402  11.139  1.00 17.37           C  
ATOM     45  CE2 TYR A   5       7.505   4.722  12.846  1.00 20.05           C  
ATOM     46  CZ  TYR A   5       8.628   4.117  12.322  1.00 19.80           C  
ATOM     47  OH  TYR A   5       9.818   4.303  12.975  1.00 17.97           O  
ATOM     48  N   LEU A   6       2.918   1.720   8.167  1.00 19.38           N  
ATOM     49  CA  LEU A   6       1.512   1.441   7.842  1.00 20.97           C  
ATOM     50  C   LEU A   6       0.920   0.449   8.804  1.00 22.38           C  
ATOM     51  O   LEU A   6       1.316  -0.724   8.797  1.00 23.35           O  
ATOM     52  CB  LEU A   6       1.343   0.927   6.398  1.00 20.64           C  
ATOM     53  CG  LEU A   6       1.926   1.830   5.293  1.00 21.55           C  
ATOM     54  CD1 LEU A   6       1.633   1.219   3.913  1.00 22.65           C  
ATOM     55  CD2 LEU A   6       1.474   3.283   5.343  1.00 20.95           C  
ATOM     56  N   HIS A   7      -0.029   0.909   9.620  1.00 23.53           N  
ATOM     57  CA  HIS A   7      -0.724   0.013  10.532  1.00 23.92           C  
ATOM     58  C   HIS A   7      -1.781  -0.739   9.740  1.00 25.03           C  
ATOM     59  O   HIS A   7      -2.775  -0.144   9.292  1.00 26.09           O  
ATOM     60  CB  HIS A   7      -1.336   0.799  11.674  1.00 23.72           C  
ATOM     61  CG  HIS A   7      -1.839  -0.056  12.789  1.00 24.09           C  
ATOM     62  ND1 HIS A   7      -2.487   0.472  13.885  1.00 25.10           N  
ATOM     63  CD2 HIS A   7      -1.779  -1.394  12.986  1.00 24.02           C  
ATOM     64  CE1 HIS A   7      -2.800  -0.510  14.711  1.00 25.74           C  
ATOM     65  NE2 HIS A   7      -2.402  -1.650  14.178  1.00 24.11           N  
ATOM     66  N   ALA A   8      -1.556  -2.027   9.543  1.00 24.25           N  
ATOM     67  CA  ALA A   8      -2.401  -2.848   8.708  1.00 25.90           C  
ATOM     68  C   ALA A   8      -3.318  -3.758   9.521  1.00 27.58           C  
ATOM     69  O   ALA A   8      -2.947  -4.202  10.606  1.00 26.88           O  
ATOM     70  CB  ALA A   8      -1.573  -3.670   7.769  1.00 25.15           C  
ATOM     71  N   ASP A   9      -4.531  -3.988   9.008  1.00 28.49           N  
ATOM     72  CA  ASP A   9      -5.385  -5.070   9.483  1.00 29.99           C  
ATOM     73  C   ASP A   9      -4.881  -6.431   9.007  1.00 29.63           C  
ATOM     74  O   ASP A   9      -5.122  -7.439   9.661  1.00 29.65           O  
ATOM     75  CB  ASP A   9      -6.821  -4.909   8.973  1.00 30.91           C  
ATOM     76  CG  ASP A   9      -7.568  -3.821   9.687  1.00 33.43           C  
ATOM     77  OD1 ASP A   9      -7.503  -3.757  10.930  1.00 35.20           O  
ATOM     78  OD2 ASP A   9      -8.233  -3.036   8.989  1.00 39.18           O  
ATOM     79  N   ARG A  10      -4.228  -6.449   7.851  1.00 29.09           N  
ATOM     80  CA  ARG A  10      -3.638  -7.641   7.258  1.00 28.99           C  
ATOM     81  C   ARG A  10      -2.611  -7.201   6.221  1.00 28.52           C  
ATOM     82  O   ARG A  10      -2.701  -6.090   5.683  1.00 27.69           O  
ATOM     83  CB  ARG A  10      -4.696  -8.511   6.558  1.00 30.60           C  
ATOM     84  CG  ARG A  10      -5.629  -7.730   5.626  1.00 34.60           C  
ATOM     85  CD  ARG A  10      -6.400  -8.589   4.585  1.00 41.31           C  
ATOM     86  NE  ARG A  10      -6.766  -7.788   3.399  1.00 44.23           N  
ATOM     87  CZ  ARG A  10      -5.924  -7.457   2.406  1.00 44.54           C  
ATOM     88  NH1 ARG A  10      -4.656  -7.853   2.420  1.00 47.67           N  
ATOM     89  NH2 ARG A  10      -6.343  -6.728   1.392  1.00 43.73           N  
ATOM     90  N   PHE A  11      -1.657  -8.078   5.932  1.00 27.24           N  
ATOM     91  CA  PHE A  11      -0.589  -7.808   4.980  1.00 26.62           C  
ATOM     92  C   PHE A  11      -0.102  -9.110   4.429  1.00 26.81           C  
ATOM     93  O   PHE A  11      -0.024 -10.080   5.165  1.00 27.72           O  
ATOM     94  CB  PHE A  11       0.603  -7.090   5.628  1.00 26.02           C  
ATOM     95  CG  PHE A  11       1.716  -6.734   4.643  1.00 24.50           C  
ATOM     96  CD1 PHE A  11       1.526  -5.747   3.684  1.00 26.79           C  
ATOM     97  CD2 PHE A  11       2.954  -7.357   4.701  1.00 22.24           C  
ATOM     98  CE1 PHE A  11       2.565  -5.380   2.775  1.00 23.92           C  
ATOM     99  CE2 PHE A  11       3.990  -7.012   3.805  1.00 21.54           C  
ATOM    100  CZ  PHE A  11       3.789  -6.011   2.842  1.00 24.22           C  
ATOM    101  N   GLU A  12       0.231  -9.131   3.146  1.00 26.86           N  
ATOM    102  CA  GLU A  12       0.849 -10.297   2.523  1.00 27.18           C  
ATOM    103  C   GLU A  12       1.633  -9.838   1.335  1.00 26.86           C  
ATOM    104  O   GLU A  12       1.328  -8.790   0.734  1.00 25.78           O  
ATOM    105  CB  GLU A  12      -0.179 -11.358   2.087  1.00 28.70           C  
ATOM    106  CG  GLU A  12      -1.332 -10.795   1.285  1.00 32.74           C  
ATOM    107  CD  GLU A  12      -2.226 -11.866   0.644  1.00 39.42           C  
ATOM    108  OE1 GLU A  12      -1.747 -12.636  -0.216  1.00 43.21           O  
ATOM    109  OE2 GLU A  12      -3.429 -11.915   0.990  1.00 42.25           O  
ATOM    110  N   TYR A  13       2.665 -10.607   1.022  1.00 25.82           N  
ATOM    111  CA  TYR A  13       3.536 -10.372  -0.076  1.00 25.49           C  
ATOM    112  C   TYR A  13       4.039 -11.710  -0.642  1.00 26.89           C  
ATOM    113  O   TYR A  13       4.026 -12.757   0.021  1.00 25.52           O  
ATOM    114  CB  TYR A  13       4.739  -9.507   0.360  1.00 26.64           C  
ATOM    115  CG  TYR A  13       5.743 -10.280   1.210  1.00 23.67           C  
ATOM    116  CD1 TYR A  13       5.652 -10.260   2.620  1.00 24.98           C  
ATOM    117  CD2 TYR A  13       6.756 -11.039   0.609  1.00 24.14           C  
ATOM    118  CE1 TYR A  13       6.548 -10.973   3.411  1.00 25.36           C  
ATOM    119  CE2 TYR A  13       7.652 -11.785   1.403  1.00 26.08           C  
ATOM    120  CZ  TYR A  13       7.545 -11.730   2.795  1.00 24.92           C  
ATOM    121  OH  TYR A  13       8.423 -12.456   3.573  1.00 23.04           O  
ATOM    122  N   LYS A  14       4.519 -11.642  -1.868  1.00 26.80           N  
ATOM    123  CA  LYS A  14       5.123 -12.762  -2.529  1.00 29.21           C  
ATOM    124  C   LYS A  14       6.162 -12.178  -3.461  1.00 28.71           C  
ATOM    125  O   LYS A  14       5.865 -11.241  -4.201  1.00 28.68           O  
ATOM    126  CB  LYS A  14       4.053 -13.492  -3.353  1.00 29.63           C  
ATOM    127  CG  LYS A  14       4.605 -14.589  -4.273  1.00 35.07           C  
ATOM    128  CD  LYS A  14       3.502 -15.261  -5.128  1.00 41.18           C  
ATOM    129  CE  LYS A  14       2.486 -16.035  -4.251  1.00 44.75           C  
ATOM    130  NZ  LYS A  14       1.569 -15.139  -3.438  1.00 45.20           N  
ATOM    131  N   THR A  15       7.371 -12.727  -3.411  1.00 28.81           N  
ATOM    132  CA  THR A  15       8.428 -12.367  -4.333  1.00 29.01           C  
ATOM    133  C   THR A  15       8.010 -12.911  -5.679  1.00 30.43           C  
ATOM    134  O   THR A  15       7.283 -13.909  -5.744  1.00 30.45           O  
ATOM    135  CB  THR A  15       9.788 -12.976  -3.947  1.00 29.25           C  
ATOM    136  OG1 THR A  15       9.655 -14.389  -3.790  1.00 28.94           O  
ATOM    137  CG2 THR A  15      10.318 -12.388  -2.644  1.00 28.64           C  
ATOM    138  N   VAL A  16       8.439 -12.224  -6.738  1.00 30.70           N  
ATOM    139  CA  VAL A  16       8.166 -12.619  -8.117  1.00 30.35           C  
ATOM    140  C   VAL A  16       9.539 -12.696  -8.798  1.00 30.86           C  
ATOM    141  O   VAL A  16      10.383 -13.549  -8.427  1.00 31.76           O  
ATOM    142  CB  VAL A  16       7.197 -11.638  -8.816  1.00 29.89           C  
ATOM    143  CG1 VAL A  16       6.754 -12.185 -10.188  1.00 30.80           C  
ATOM    144  CG2 VAL A  16       5.973 -11.391  -7.946  1.00 31.18           C  
ATOM    145  N   LYS A  17       9.814 -11.814  -9.750  1.00 30.01           N  
ATOM    146  CA  LYS A  17      11.100 -11.871 -10.412  1.00 30.27           C  
ATOM    147  C   LYS A  17      12.211 -11.295  -9.547  1.00 31.09           C  
ATOM    148  O   LYS A  17      11.977 -10.348  -8.790  1.00 29.02           O  
ATOM    149  CB  LYS A  17      11.053 -11.149 -11.753  1.00 31.00           C  
ATOM    150  CG  LYS A  17      10.096 -11.821 -12.785  1.00 32.90           C  
ATOM    151  CD  LYS A  17       9.844 -10.889 -13.970  1.00 40.11           C  
ATOM    152  CE  LYS A  17      10.665 -11.297 -15.177  1.00 43.76           C  
ATOM    153  NZ  LYS A  17       9.852 -12.248 -15.972  1.00 47.47           N  
ATOM    154  N   PRO A  18      13.422 -11.872  -9.654  1.00 31.32           N  
ATOM    155  CA  PRO A  18      14.576 -11.222  -9.028  1.00 32.19           C  
ATOM    156  C   PRO A  18      14.744  -9.793  -9.591  1.00 32.80           C  
ATOM    157  O   PRO A  18      14.620  -9.581 -10.807  1.00 32.93           O  
ATOM    158  CB  PRO A  18      15.752 -12.120  -9.434  1.00 31.56           C  
ATOM    159  CG  PRO A  18      15.301 -12.799 -10.710  1.00 31.30           C  
ATOM    160  CD  PRO A  18      13.821 -12.984 -10.546  1.00 31.62           C  
ATOM    161  N   ALA A  19      14.997  -8.834  -8.704  1.00 32.94           N  
ATOM    162  CA  ALA A  19      15.138  -7.425  -9.072  1.00 33.47           C  
ATOM    163  C   ALA A  19      16.597  -7.041  -9.137  1.00 34.17           C  
ATOM    164  O   ALA A  19      16.940  -5.948  -9.575  1.00 34.43           O  
ATOM    165  CB  ALA A  19      14.410  -6.523  -8.049  1.00 33.14           C  
ATOM    166  N   LEU A  20      17.452  -7.923  -8.634  1.00 34.97           N  
ATOM    167  CA  LEU A  20      18.906  -7.746  -8.673  1.00 36.26           C  
ATOM    168  C   LEU A  20      19.457  -8.979  -9.383  1.00 37.11           C  
ATOM    169  O   LEU A  20      18.848 -10.057  -9.339  1.00 36.57           O  
ATOM    170  CB  LEU A  20      19.515  -7.675  -7.248  1.00 36.15           C  
ATOM    171  CG  LEU A  20      19.205  -6.524  -6.268  1.00 36.62           C  
ATOM    172  CD1 LEU A  20      19.765  -6.798  -4.869  1.00 36.36           C  
ATOM    173  CD2 LEU A  20      19.757  -5.231  -6.787  1.00 37.47           C  
ATOM    174  N   LYS A  21      20.608  -8.820 -10.007  1.00 38.53           N  
ATOM    175  CA  LYS A  21      21.298  -9.948 -10.645  1.00 40.73           C  
ATOM    176  C   LYS A  21      21.235 -11.228  -9.793  1.00 40.88           C  
ATOM    177  O   LYS A  21      20.735 -12.273 -10.252  1.00 41.36           O  
ATOM    178  CB  LYS A  21      22.749  -9.570 -10.931  1.00 41.29           C  
ATOM    179  CG  LYS A  21      23.476 -10.607 -11.778  1.00 44.66           C  
ATOM    180  CD  LYS A  21      23.355 -10.299 -13.269  1.00 50.58           C  
ATOM    181  CE  LYS A  21      23.866 -11.478 -14.122  1.00 53.39           C  
ATOM    182  NZ  LYS A  21      25.205 -11.978 -13.657  1.00 54.79           N  
ATOM    183  N   ASN A  22      21.709 -11.127  -8.548  1.00 40.68           N  
ATOM    184  CA  ASN A  22      21.603 -12.214  -7.574  1.00 40.18           C  
ATOM    185  C   ASN A  22      21.053 -11.744  -6.196  1.00 38.75           C  
ATOM    186  O   ASN A  22      21.825 -11.272  -5.346  1.00 38.37           O  
ATOM    187  CB  ASN A  22      22.979 -12.863  -7.385  1.00 41.40           C  
ATOM    188  CG  ASN A  22      23.594 -13.344  -8.695  1.00 43.56           C  
ATOM    189  OD1 ASN A  22      23.171 -14.366  -9.262  1.00 46.23           O  
ATOM    190  ND2 ASN A  22      24.613 -12.627  -9.167  1.00 44.66           N  
ATOM    191  N   PRO A  23      19.724 -11.864  -5.974  1.00 37.11           N  
ATOM    192  CA  PRO A  23      19.162 -11.465  -4.679  1.00 35.63           C  
ATOM    193  C   PRO A  23      19.827 -12.187  -3.498  1.00 35.13           C  
ATOM    194  O   PRO A  23      19.981 -13.421  -3.536  1.00 34.80           O  
ATOM    195  CB  PRO A  23      17.701 -11.879  -4.784  1.00 35.26           C  
ATOM    196  CG  PRO A  23      17.415 -11.900  -6.252  1.00 36.02           C  
ATOM    197  CD  PRO A  23      18.683 -12.324  -6.911  1.00 36.79           C  
ATOM    198  N   PRO A  24      20.230 -11.425  -2.459  1.00 33.53           N  
ATOM    199  CA  PRO A  24      20.948 -12.001  -1.326  1.00 33.11           C  
ATOM    200  C   PRO A  24      20.047 -12.805  -0.361  1.00 32.33           C  
ATOM    201  O   PRO A  24      20.563 -13.502   0.507  1.00 32.98           O  
ATOM    202  CB  PRO A  24      21.570 -10.768  -0.648  1.00 33.11           C  
ATOM    203  CG  PRO A  24      20.586  -9.660  -0.921  1.00 32.68           C  
ATOM    204  CD  PRO A  24      20.106  -9.955  -2.343  1.00 33.99           C  
ATOM    205  N   ASP A  25      18.729 -12.710  -0.505  1.00 30.57           N  
ATOM    206  CA  ASP A  25      17.811 -13.553   0.259  1.00 30.85           C  
ATOM    207  C   ASP A  25      17.065 -14.475  -0.705  1.00 31.26           C  
ATOM    208  O   ASP A  25      16.864 -14.107  -1.861  1.00 30.97           O  
ATOM    209  CB  ASP A  25      16.800 -12.710   1.049  1.00 30.15           C  
ATOM    210  CG  ASP A  25      17.464 -11.694   1.968  1.00 30.50           C  
ATOM    211  OD1 ASP A  25      18.374 -12.072   2.743  1.00 27.29           O  
ATOM    212  OD2 ASP A  25      17.055 -10.509   1.951  1.00 28.88           O  
ATOM    213  N   PRO A  26      16.656 -15.671  -0.240  1.00 31.95           N  
ATOM    214  CA  PRO A  26      15.839 -16.572  -1.058  1.00 31.98           C  
ATOM    215  C   PRO A  26      14.397 -16.046  -1.249  1.00 31.97           C  
ATOM    216  O   PRO A  26      13.970 -15.122  -0.515  1.00 31.92           O  
ATOM    217  CB  PRO A  26      15.835 -17.891  -0.269  1.00 32.83           C  
ATOM    218  CG  PRO A  26      16.254 -17.575   1.095  1.00 33.14           C  
ATOM    219  CD  PRO A  26      16.779 -16.147   1.153  1.00 32.85           C  
ATOM    220  N   PRO A  27      13.670 -16.586  -2.259  1.00 30.98           N  
ATOM    221  CA  PRO A  27      12.316 -16.107  -2.560  1.00 30.34           C  
ATOM    222  C   PRO A  27      11.339 -16.553  -1.483  1.00 30.28           C  
ATOM    223  O   PRO A  27      11.642 -17.471  -0.712  1.00 29.08           O  
ATOM    224  CB  PRO A  27      11.995 -16.769  -3.916  1.00 30.30           C  
ATOM    225  CG  PRO A  27      12.882 -18.001  -3.939  1.00 31.57           C  
ATOM    226  CD  PRO A  27      14.138 -17.600  -3.232  1.00 31.02           C  
ATOM    227  N   GLY A  28      10.177 -15.920  -1.410  1.00 30.27           N  
ATOM    228  CA  GLY A  28       9.201 -16.403  -0.471  1.00 29.98           C  
ATOM    229  C   GLY A  28       7.914 -15.664  -0.405  1.00 29.70           C  
ATOM    230  O   GLY A  28       7.651 -14.766  -1.168  1.00 30.01           O  
ATOM    231  N   GLU A  29       7.097 -16.053   0.540  1.00 29.59           N  
ATOM    232  CA  GLU A  29       5.839 -15.391   0.719  1.00 30.65           C  
ATOM    233  C   GLU A  29       5.422 -15.523   2.167  1.00 30.43           C  
ATOM    234  O   GLU A  29       5.762 -16.509   2.832  1.00 30.14           O  
ATOM    235  CB  GLU A  29       4.792 -15.992  -0.230  1.00 31.51           C  
ATOM    236  CG  GLU A  29       4.478 -17.453  -0.046  1.00 35.22           C  
ATOM    237  CD  GLU A  29       3.076 -17.760  -0.585  1.00 42.95           C  
ATOM    238  OE1 GLU A  29       2.097 -17.573   0.190  1.00 45.14           O  
ATOM    239  OE2 GLU A  29       2.950 -18.155  -1.782  1.00 42.94           O  
ATOM    240  N   ALA A  30       4.709 -14.528   2.663  1.00 29.82           N  
ATOM    241  CA  ALA A  30       4.148 -14.611   3.984  1.00 30.01           C  
ATOM    242  C   ALA A  30       2.921 -13.758   4.048  1.00 29.78           C  
ATOM    243  O   ALA A  30       2.755 -12.845   3.237  1.00 30.27           O  
ATOM    244  CB  ALA A  30       5.176 -14.174   5.046  1.00 30.40           C  
ATOM    245  N   SER A  31       2.058 -14.032   5.017  1.00 29.99           N  
ATOM    246  CA  SER A  31       0.908 -13.175   5.237  1.00 30.28           C  
ATOM    247  C   SER A  31       0.708 -13.023   6.718  1.00 29.35           C  
ATOM    248  O   SER A  31       1.110 -13.902   7.485  1.00 29.21           O  
ATOM    249  CB  SER A  31      -0.353 -13.744   4.549  1.00 31.21           C  
ATOM    250  OG  SER A  31      -0.975 -14.761   5.307  1.00 35.62           O  
ATOM    251  N   PHE A  32       0.068 -11.930   7.115  1.00 28.03           N  
ATOM    252  CA  PHE A  32      -0.074 -11.561   8.520  1.00 27.80           C  
ATOM    253  C   PHE A  32      -1.422 -10.979   8.782  1.00 27.68           C  
ATOM    254  O   PHE A  32      -2.105 -10.538   7.848  1.00 28.31           O  
ATOM    255  CB  PHE A  32       1.013 -10.538   8.886  1.00 26.88           C  
ATOM    256  CG  PHE A  32       2.369 -10.963   8.447  1.00 26.71           C  
ATOM    257  CD1 PHE A  32       2.792 -10.725   7.135  1.00 26.17           C  
ATOM    258  CD2 PHE A  32       3.212 -11.685   9.313  1.00 24.17           C  
ATOM    259  CE1 PHE A  32       4.060 -11.148   6.684  1.00 25.93           C  
ATOM    260  CE2 PHE A  32       4.485 -12.123   8.867  1.00 24.65           C  
ATOM    261  CZ  PHE A  32       4.907 -11.852   7.563  1.00 23.38           C  
ATOM    262  N   GLY A  33      -1.795 -10.944  10.060  1.00 28.11           N  
ATOM    263  CA  GLY A  33      -2.971 -10.199  10.514  1.00 27.42           C  
ATOM    264  C   GLY A  33      -2.522  -8.808  10.910  1.00 26.86           C  
ATOM    265  O   GLY A  33      -1.694  -8.221  10.202  1.00 27.49           O  
ATOM    266  N   GLU A  34      -3.029  -8.275  12.028  1.00 25.88           N  
ATOM    267  CA  GLU A  34      -2.704  -6.906  12.430  1.00 27.25           C  
ATOM    268  C   GLU A  34      -1.207  -6.742  12.653  1.00 27.14           C  
ATOM    269  O   GLU A  34      -0.630  -7.411  13.522  1.00 27.94           O  
ATOM    270  CB  GLU A  34      -3.459  -6.492  13.698  1.00 27.74           C  
ATOM    271  CG  GLU A  34      -3.193  -5.013  14.096  1.00 31.43           C  
ATOM    272  CD  GLU A  34      -3.862  -4.558  15.412  1.00 38.39           C  
ATOM    273  OE1 GLU A  34      -4.650  -5.344  16.000  1.00 43.16           O  
ATOM    274  OE2 GLU A  34      -3.626  -3.405  15.858  1.00 37.52           O  
ATOM    275  N   ALA A  35      -0.583  -5.828  11.902  1.00 25.87           N  
ATOM    276  CA  ALA A  35       0.878  -5.596  12.012  1.00 24.85           C  
ATOM    277  C   ALA A  35       1.183  -4.157  11.688  1.00 25.10           C  
ATOM    278  O   ALA A  35       0.368  -3.493  10.996  1.00 25.22           O  
ATOM    279  CB  ALA A  35       1.593  -6.487  11.090  1.00 23.57           C  
ATOM    280  N   LEU A  36       2.314  -3.668  12.197  1.00 24.13           N  
ATOM    281  CA  LEU A  36       2.916  -2.432  11.677  1.00 23.67           C  
ATOM    282  C   LEU A  36       3.816  -2.817  10.494  1.00 23.04           C  
ATOM    283  O   LEU A  36       4.806  -3.559  10.665  1.00 22.98           O  
ATOM    284  CB  LEU A  36       3.720  -1.689  12.752  1.00 22.62           C  
ATOM    285  CG  LEU A  36       4.447  -0.427  12.282  1.00 23.46           C  
ATOM    286  CD1 LEU A  36       3.431   0.599  11.876  1.00 24.61           C  
ATOM    287  CD2 LEU A  36       5.332   0.122  13.355  1.00 22.98           C  
ATOM    288  N   VAL A  37       3.442  -2.365   9.290  1.00 21.37           N  
ATOM    289  CA  VAL A  37       4.244  -2.650   8.084  1.00 20.91           C  
ATOM    290  C   VAL A  37       5.183  -1.460   7.837  1.00 20.32           C  
ATOM    291  O   VAL A  37       4.721  -0.343   7.620  1.00 21.26           O  
ATOM    292  CB  VAL A  37       3.357  -3.026   6.830  1.00 20.45           C  
ATOM    293  CG1 VAL A  37       4.227  -3.516   5.659  1.00 19.55           C  
ATOM    294  CG2 VAL A  37       2.318  -4.109   7.216  1.00 22.19           C  
ATOM    295  N   VAL A  38       6.493  -1.700   7.936  1.00 20.68           N  
ATOM    296  CA  VAL A  38       7.547  -0.653   7.868  1.00 18.48           C  
ATOM    297  C   VAL A  38       8.252  -0.790   6.500  1.00 18.43           C  
ATOM    298  O   VAL A  38       9.159  -1.652   6.280  1.00 16.72           O  
ATOM    299  CB  VAL A  38       8.563  -0.729   9.099  1.00 19.09           C  
ATOM    300  CG1 VAL A  38       9.604   0.427   9.051  1.00 16.45           C  
ATOM    301  CG2 VAL A  38       7.805  -0.779  10.451  1.00 16.56           C  
ATOM    302  N   PHE A  39       7.772   0.017   5.548  1.00 17.73           N  
ATOM    303  CA  PHE A  39       8.419   0.148   4.247  1.00 17.97           C  
ATOM    304  C   PHE A  39       9.725   0.862   4.494  1.00 17.38           C  
ATOM    305  O   PHE A  39       9.735   2.018   4.955  1.00 17.36           O  
ATOM    306  CB  PHE A  39       7.505   0.919   3.273  1.00 18.01           C  
ATOM    307  CG  PHE A  39       6.355   0.087   2.751  1.00 21.61           C  
ATOM    308  CD1 PHE A  39       6.271  -0.235   1.409  1.00 23.78           C  
ATOM    309  CD2 PHE A  39       5.362  -0.376   3.598  1.00 25.91           C  
ATOM    310  CE1 PHE A  39       5.196  -1.024   0.894  1.00 25.58           C  
ATOM    311  CE2 PHE A  39       4.304  -1.179   3.092  1.00 27.85           C  
ATOM    312  CZ  PHE A  39       4.242  -1.511   1.747  1.00 25.58           C  
ATOM    313  N   THR A  40      10.839   0.189   4.184  1.00 16.45           N  
ATOM    314  CA  THR A  40      12.167   0.660   4.645  1.00 17.08           C  
ATOM    315  C   THR A  40      13.118   0.936   3.473  1.00 16.79           C  
ATOM    316  O   THR A  40      13.449   0.001   2.744  1.00 17.61           O  
ATOM    317  CB  THR A  40      12.812  -0.405   5.552  1.00 15.94           C  
ATOM    318  OG1 THR A  40      11.933  -0.698   6.626  1.00 18.83           O  
ATOM    319  CG2 THR A  40      14.156   0.072   6.124  1.00 20.88           C  
ATOM    320  N   THR A  41      13.507   2.201   3.271  1.00 16.00           N  
ATOM    321  CA  THR A  41      14.433   2.568   2.223  1.00 16.23           C  
ATOM    322  C   THR A  41      15.752   2.938   2.902  1.00 17.68           C  
ATOM    323  O   THR A  41      15.849   3.944   3.613  1.00 17.47           O  
ATOM    324  CB  THR A  41      13.930   3.796   1.384  1.00 16.27           C  
ATOM    325  OG1 THR A  41      12.709   3.474   0.707  1.00 15.89           O  
ATOM    326  CG2 THR A  41      14.956   4.163   0.317  1.00 17.59           C  
ATOM    327  N   VAL A  42      16.776   2.114   2.675  1.00 18.00           N  
ATOM    328  CA  VAL A  42      18.118   2.405   3.222  1.00 18.26           C  
ATOM    329  C   VAL A  42      18.801   3.461   2.350  1.00 18.86           C  
ATOM    330  O   VAL A  42      18.787   3.366   1.126  1.00 18.19           O  
ATOM    331  CB  VAL A  42      18.975   1.130   3.317  1.00 18.12           C  
ATOM    332  CG1 VAL A  42      20.327   1.429   4.012  1.00 19.97           C  
ATOM    333  CG2 VAL A  42      18.201   0.032   4.064  1.00 16.93           C  
ATOM    334  N   GLU A  43      19.368   4.467   3.000  1.00 19.87           N  
ATOM    335  CA  GLU A  43      19.954   5.612   2.305  1.00 21.09           C  
ATOM    336  C   GLU A  43      21.464   5.626   2.451  1.00 22.10           C  
ATOM    337  O   GLU A  43      22.001   5.050   3.399  1.00 21.72           O  
ATOM    338  CB  GLU A  43      19.373   6.908   2.852  1.00 20.14           C  
ATOM    339  CG  GLU A  43      17.868   7.021   2.567  1.00 18.84           C  
ATOM    340  CD  GLU A  43      17.281   8.330   3.058  1.00 20.49           C  
ATOM    341  OE1 GLU A  43      17.504   8.695   4.228  1.00 19.97           O  
ATOM    342  OE2 GLU A  43      16.589   8.970   2.278  1.00 21.59           O  
ATOM    343  N   ASP A  44      22.135   6.273   1.505  1.00 24.89           N  
ATOM    344  CA  ASP A  44      23.606   6.323   1.503  1.00 27.47           C  
ATOM    345  C   ASP A  44      24.032   6.946   2.822  1.00 27.44           C  
ATOM    346  O   ASP A  44      23.451   7.943   3.260  1.00 28.39           O  
ATOM    347  CB  ASP A  44      24.118   7.197   0.368  1.00 29.73           C  
ATOM    348  CG  ASP A  44      25.670   7.343   0.399  1.00 36.35           C  
ATOM    349  OD1 ASP A  44      26.362   6.341   0.073  1.00 43.42           O  
ATOM    350  OD2 ASP A  44      26.186   8.421   0.804  1.00 42.99           O  
ATOM    351  N   GLY A  45      25.012   6.371   3.493  1.00 27.79           N  
ATOM    352  CA  GLY A  45      25.405   6.976   4.776  1.00 28.72           C  
ATOM    353  C   GLY A  45      24.638   6.522   6.020  1.00 27.25           C  
ATOM    354  O   GLY A  45      24.917   6.981   7.152  1.00 28.08           O  
ATOM    355  N   ASP A  46      23.675   5.620   5.836  1.00 26.10           N  
ATOM    356  CA  ASP A  46      23.088   4.932   6.984  1.00 24.16           C  
ATOM    357  C   ASP A  46      24.171   4.042   7.547  1.00 23.67           C  
ATOM    358  O   ASP A  46      24.857   3.350   6.801  1.00 24.41           O  
ATOM    359  CB  ASP A  46      21.906   4.038   6.564  1.00 22.40           C  
ATOM    360  CG  ASP A  46      20.664   4.838   6.205  1.00 19.93           C  
ATOM    361  OD1 ASP A  46      20.678   6.098   6.356  1.00 17.57           O  
ATOM    362  OD2 ASP A  46      19.650   4.217   5.768  1.00 19.93           O  
ATOM    363  N   GLY A  47      24.301   4.044   8.867  1.00 24.25           N  
ATOM    364  CA  GLY A  47      25.224   3.173   9.571  1.00 23.16           C  
ATOM    365  C   GLY A  47      24.540   2.588  10.801  1.00 25.55           C  
ATOM    366  O   GLY A  47      23.288   2.662  10.965  1.00 23.52           O  
ATOM    367  N   PRO A  48      25.337   1.935  11.663  1.00 26.27           N  
ATOM    368  CA  PRO A  48      24.793   1.281  12.865  1.00 26.47           C  
ATOM    369  C   PRO A  48      24.002   2.239  13.777  1.00 25.87           C  
ATOM    370  O   PRO A  48      22.980   1.869  14.336  1.00 25.68           O  
ATOM    371  CB  PRO A  48      26.060   0.760  13.570  1.00 26.77           C  
ATOM    372  CG  PRO A  48      26.963   0.363  12.394  1.00 28.44           C  
ATOM    373  CD  PRO A  48      26.732   1.518  11.382  1.00 26.96           C  
ATOM    374  N   GLN A  49      24.475   3.466  13.916  1.00 26.14           N  
ATOM    375  CA  GLN A  49      23.772   4.455  14.719  1.00 27.06           C  
ATOM    376  C   GLN A  49      22.358   4.691  14.143  1.00 25.20           C  
ATOM    377  O   GLN A  49      21.356   4.673  14.873  1.00 25.06           O  
ATOM    378  CB  GLN A  49      24.629   5.722  14.720  1.00 28.41           C  
ATOM    379  CG  GLN A  49      24.068   6.911  15.446  1.00 36.25           C  
ATOM    380  CD  GLN A  49      25.157   7.690  16.203  1.00 45.35           C  
ATOM    381  OE1 GLN A  49      26.107   7.081  16.722  1.00 51.03           O  
ATOM    382  NE2 GLN A  49      25.014   9.029  16.288  1.00 44.90           N  
ATOM    383  N   THR A  50      22.285   4.939  12.836  1.00 23.55           N  
ATOM    384  CA  THR A  50      21.017   5.142  12.140  1.00 22.54           C  
ATOM    385  C   THR A  50      20.029   3.997  12.411  1.00 21.83           C  
ATOM    386  O   THR A  50      18.848   4.234  12.681  1.00 21.03           O  
ATOM    387  CB  THR A  50      21.259   5.283  10.651  1.00 22.75           C  
ATOM    388  OG1 THR A  50      22.079   6.453  10.444  1.00 25.07           O  
ATOM    389  CG2 THR A  50      19.919   5.464   9.866  1.00 22.01           C  
ATOM    390  N   VAL A  51      20.542   2.772  12.333  1.00 20.83           N  
ATOM    391  CA  VAL A  51      19.747   1.557  12.571  1.00 21.67           C  
ATOM    392  C   VAL A  51      19.177   1.576  13.990  1.00 21.67           C  
ATOM    393  O   VAL A  51      17.964   1.295  14.207  1.00 21.46           O  
ATOM    394  CB  VAL A  51      20.621   0.303  12.345  1.00 22.21           C  
ATOM    395  CG1 VAL A  51      19.964  -0.947  12.874  1.00 24.00           C  
ATOM    396  CG2 VAL A  51      20.939   0.122  10.862  1.00 22.33           C  
ATOM    397  N   MET A  52      20.039   1.932  14.946  1.00 20.90           N  
ATOM    398  CA  MET A  52      19.628   1.841  16.331  1.00 22.54           C  
ATOM    399  C   MET A  52      18.523   2.857  16.613  1.00 20.22           C  
ATOM    400  O   MET A  52      17.527   2.530  17.291  1.00 20.66           O  
ATOM    401  CB  MET A  52      20.805   1.989  17.315  1.00 22.30           C  
ATOM    402  CG  MET A  52      20.445   1.427  18.747  1.00 29.82           C  
ATOM    403  SD  MET A  52      19.994  -0.402  18.786  1.00 45.72           S  
ATOM    404  CE  MET A  52      21.335  -1.013  17.712  1.00 35.97           C  
ATOM    405  N   TYR A  53      18.662   4.072  16.076  1.00 19.78           N  
ATOM    406  CA  TYR A  53      17.607   5.091  16.243  1.00 19.10           C  
ATOM    407  C   TYR A  53      16.298   4.597  15.634  1.00 18.61           C  
ATOM    408  O   TYR A  53      15.196   4.753  16.212  1.00 17.68           O  
ATOM    409  CB  TYR A  53      17.991   6.393  15.553  1.00 20.23           C  
ATOM    410  CG  TYR A  53      19.130   7.126  16.202  1.00 21.31           C  
ATOM    411  CD1 TYR A  53      19.164   7.353  17.606  1.00 21.79           C  
ATOM    412  CD2 TYR A  53      20.153   7.647  15.426  1.00 22.64           C  
ATOM    413  CE1 TYR A  53      20.231   8.030  18.184  1.00 24.07           C  
ATOM    414  CE2 TYR A  53      21.214   8.356  16.015  1.00 24.49           C  
ATOM    415  CZ  TYR A  53      21.235   8.545  17.388  1.00 23.66           C  
ATOM    416  OH  TYR A  53      22.314   9.234  17.920  1.00 28.73           O  
ATOM    417  N   ALA A  54      16.409   3.983  14.444  1.00 18.74           N  
ATOM    418  CA  ALA A  54      15.214   3.535  13.759  1.00 18.45           C  
ATOM    419  C   ALA A  54      14.542   2.405  14.521  1.00 18.37           C  
ATOM    420  O   ALA A  54      13.304   2.436  14.719  1.00 18.90           O  
ATOM    421  CB  ALA A  54      15.503   3.147  12.297  1.00 17.54           C  
ATOM    422  N   ALA A  55      15.330   1.416  14.952  1.00 19.46           N  
ATOM    423  CA  ALA A  55      14.825   0.337  15.837  1.00 20.38           C  
ATOM    424  C   ALA A  55      14.087   0.866  17.092  1.00 21.02           C  
ATOM    425  O   ALA A  55      12.959   0.451  17.377  1.00 20.47           O  
ATOM    426  CB  ALA A  55      15.953  -0.608  16.263  1.00 19.92           C  
ATOM    427  N   SER A  56      14.705   1.781  17.829  1.00 21.72           N  
ATOM    428  CA  SER A  56      14.012   2.371  18.980  1.00 23.28           C  
ATOM    429  C   SER A  56      12.674   3.047  18.629  1.00 22.94           C  
ATOM    430  O   SER A  56      11.684   2.944  19.394  1.00 23.54           O  
ATOM    431  CB  SER A  56      14.899   3.362  19.709  1.00 23.27           C  
ATOM    432  OG  SER A  56      16.079   2.731  20.146  1.00 29.59           O  
ATOM    433  N   ASP A  57      12.625   3.747  17.494  1.00 22.05           N  
ATOM    434  CA  ASP A  57      11.409   4.464  17.123  1.00 21.35           C  
ATOM    435  C   ASP A  57      10.296   3.534  16.709  1.00 20.88           C  
ATOM    436  O   ASP A  57       9.120   3.749  17.067  1.00 20.30           O  
ATOM    437  CB  ASP A  57      11.683   5.432  15.967  1.00 21.92           C  
ATOM    438  CG  ASP A  57      10.529   6.379  15.732  1.00 23.25           C  
ATOM    439  OD1 ASP A  57      10.419   7.373  16.464  1.00 26.18           O  
ATOM    440  OD2 ASP A  57       9.731   6.142  14.833  1.00 22.16           O  
ATOM    441  N   ILE A  58      10.640   2.526  15.904  1.00 20.38           N  
ATOM    442  CA  ILE A  58       9.665   1.515  15.481  1.00 20.46           C  
ATOM    443  C   ILE A  58       9.062   0.849  16.726  1.00 20.76           C  
ATOM    444  O   ILE A  58       7.843   0.621  16.836  1.00 19.05           O  
ATOM    445  CB  ILE A  58      10.315   0.423  14.551  1.00 20.13           C  
ATOM    446  CG1 ILE A  58      10.661   1.012  13.171  1.00 19.59           C  
ATOM    447  CG2 ILE A  58       9.342  -0.746  14.339  1.00 18.75           C  
ATOM    448  CD1 ILE A  58      11.619   0.176  12.384  1.00 20.53           C  
ATOM    449  N   ALA A  59       9.952   0.505  17.654  1.00 22.30           N  
ATOM    450  CA  ALA A  59       9.545  -0.088  18.938  1.00 22.52           C  
ATOM    451  C   ALA A  59       8.561   0.784  19.709  1.00 23.16           C  
ATOM    452  O   ALA A  59       7.531   0.317  20.201  1.00 23.74           O  
ATOM    453  CB  ALA A  59      10.797  -0.358  19.792  1.00 22.60           C  
ATOM    454  N   SER A  60       8.903   2.057  19.830  1.00 24.66           N  
ATOM    455  CA  SER A  60       8.103   3.020  20.547  1.00 26.02           C  
ATOM    456  C   SER A  60       6.749   3.260  19.845  1.00 26.35           C  
ATOM    457  O   SER A  60       5.722   3.349  20.509  1.00 26.35           O  
ATOM    458  CB  SER A  60       8.938   4.294  20.756  1.00 26.89           C  
ATOM    459  OG  SER A  60       8.103   5.418  20.931  1.00 32.06           O  
ATOM    460  N   HIS A  61       6.728   3.309  18.513  1.00 25.51           N  
ATOM    461  CA  HIS A  61       5.478   3.490  17.754  1.00 26.28           C  
ATOM    462  C   HIS A  61       4.603   2.232  17.867  1.00 26.66           C  
ATOM    463  O   HIS A  61       3.372   2.314  18.035  1.00 26.90           O  
ATOM    464  CB  HIS A  61       5.793   3.880  16.287  1.00 25.30           C  
ATOM    465  CG  HIS A  61       4.585   4.121  15.426  1.00 24.95           C  
ATOM    466  ND1 HIS A  61       3.699   5.159  15.644  1.00 26.22           N  
ATOM    467  CD2 HIS A  61       4.130   3.468  14.331  1.00 24.33           C  
ATOM    468  CE1 HIS A  61       2.737   5.116  14.735  1.00 25.50           C  
ATOM    469  NE2 HIS A  61       2.978   4.106  13.919  1.00 23.98           N  
ATOM    470  N   SER A  62       5.240   1.063  17.820  1.00 26.66           N  
ATOM    471  CA  SER A  62       4.514  -0.195  17.942  1.00 27.18           C  
ATOM    472  C   SER A  62       3.786  -0.295  19.284  1.00 28.15           C  
ATOM    473  O   SER A  62       2.596  -0.693  19.349  1.00 27.44           O  
ATOM    474  CB  SER A  62       5.465  -1.369  17.775  1.00 27.00           C  
ATOM    475  OG  SER A  62       5.972  -1.388  16.442  1.00 27.84           O  
ATOM    476  N   SER A  63       4.506   0.087  20.330  1.00 29.23           N  
ATOM    477  CA  SER A  63       3.961   0.137  21.682  1.00 31.87           C  
ATOM    478  C   SER A  63       2.733   1.075  21.758  1.00 32.75           C  
ATOM    479  O   SER A  63       1.687   0.685  22.290  1.00 33.68           O  
ATOM    480  CB  SER A  63       5.052   0.579  22.647  1.00 31.40           C  
ATOM    481  OG  SER A  63       4.535   0.781  23.952  1.00 36.19           O  
ATOM    482  N   ARG A  64       2.855   2.277  21.192  1.00 33.44           N  
ATOM    483  CA  ARG A  64       1.755   3.256  21.130  1.00 34.92           C  
ATOM    484  C   ARG A  64       0.515   2.721  20.365  1.00 35.26           C  
ATOM    485  O   ARG A  64      -0.628   2.990  20.750  1.00 37.11           O  
ATOM    486  CB  ARG A  64       2.321   4.562  20.533  1.00 35.05           C  
ATOM    487  CG  ARG A  64       1.402   5.759  20.394  1.00 39.28           C  
ATOM    488  CD  ARG A  64       2.134   6.883  19.632  1.00 44.89           C  
ATOM    489  NE  ARG A  64       1.618   8.219  19.972  1.00 52.10           N  
ATOM    490  CZ  ARG A  64       1.884   9.370  19.330  1.00 53.38           C  
ATOM    491  NH1 ARG A  64       2.677   9.412  18.256  1.00 52.92           N  
ATOM    492  NH2 ARG A  64       1.339  10.506  19.780  1.00 53.33           N  
ATOM    493  N   LEU A  65       0.724   1.931  19.318  1.00 33.56           N  
ATOM    494  CA  LEU A  65      -0.379   1.331  18.581  1.00 33.11           C  
ATOM    495  C   LEU A  65      -0.854   0.012  19.197  1.00 33.14           C  
ATOM    496  O   LEU A  65      -1.817  -0.594  18.705  1.00 32.69           O  
ATOM    497  CB  LEU A  65       0.021   1.068  17.117  1.00 32.53           C  
ATOM    498  CG  LEU A  65       0.551   2.175  16.205  1.00 31.63           C  
ATOM    499  CD1 LEU A  65       0.961   1.585  14.885  1.00 32.76           C  
ATOM    500  CD2 LEU A  65      -0.471   3.242  15.989  1.00 32.94           C  
ATOM    501  N   LYS A  66      -0.164  -0.434  20.248  1.00 32.99           N  
ATOM    502  CA  LYS A  66      -0.365  -1.765  20.855  1.00 34.07           C  
ATOM    503  C   LYS A  66      -0.283  -2.894  19.835  1.00 33.05           C  
ATOM    504  O   LYS A  66      -1.104  -3.803  19.860  1.00 32.84           O  
ATOM    505  CB  LYS A  66      -1.714  -1.875  21.616  1.00 35.19           C  
ATOM    506  CG  LYS A  66      -2.075  -0.694  22.514  1.00 39.66           C  
ATOM    507  CD  LYS A  66      -3.528  -0.837  22.982  1.00 44.80           C  
ATOM    508  CE  LYS A  66      -4.077   0.516  23.469  1.00 49.57           C  
ATOM    509  NZ  LYS A  66      -5.583   0.537  23.669  1.00 51.76           N  
ATOM    510  N   VAL A  67       0.700  -2.848  18.937  1.00 32.19           N  
ATOM    511  CA  VAL A  67       0.848  -3.912  17.939  1.00 30.64           C  
ATOM    512  C   VAL A  67       1.944  -4.880  18.372  1.00 29.91           C  
ATOM    513  O   VAL A  67       2.904  -4.475  19.030  1.00 29.30           O  
ATOM    514  CB  VAL A  67       1.212  -3.389  16.529  1.00 31.32           C  
ATOM    515  CG1 VAL A  67       0.220  -2.376  16.055  1.00 32.26           C  
ATOM    516  CG2 VAL A  67       2.575  -2.806  16.507  1.00 31.84           C  
ATOM    517  N   THR A  68       1.821  -6.142  17.985  1.00 27.37           N  
ATOM    518  CA  THR A  68       2.767  -7.139  18.466  1.00 27.52           C  
ATOM    519  C   THR A  68       3.482  -7.813  17.307  1.00 25.63           C  
ATOM    520  O   THR A  68       4.179  -8.791  17.522  1.00 25.46           O  
ATOM    521  CB  THR A  68       2.060  -8.210  19.344  1.00 27.46           C  
ATOM    522  OG1 THR A  68       0.980  -8.789  18.591  1.00 26.01           O  
ATOM    523  CG2 THR A  68       1.481  -7.565  20.605  1.00 29.16           C  
ATOM    524  N   THR A  69       3.276  -7.303  16.084  1.00 24.09           N  
ATOM    525  CA  THR A  69       3.963  -7.804  14.890  1.00 22.38           C  
ATOM    526  C   THR A  69       4.440  -6.624  14.082  1.00 22.52           C  
ATOM    527  O   THR A  69       3.665  -5.699  13.839  1.00 21.76           O  
ATOM    528  CB  THR A  69       3.024  -8.637  14.053  1.00 23.49           C  
ATOM    529  OG1 THR A  69       2.649  -9.801  14.819  1.00 23.80           O  
ATOM    530  CG2 THR A  69       3.637  -9.048  12.712  1.00 22.23           C  
ATOM    531  N   VAL A  70       5.721  -6.657  13.715  1.00 20.78           N  
ATOM    532  CA  VAL A  70       6.335  -5.675  12.824  1.00 20.78           C  
ATOM    533  C   VAL A  70       6.920  -6.376  11.608  1.00 19.68           C  
ATOM    534  O   VAL A  70       7.696  -7.358  11.723  1.00 20.91           O  
ATOM    535  CB  VAL A  70       7.465  -4.899  13.509  1.00 19.05           C  
ATOM    536  CG1 VAL A  70       8.265  -4.056  12.460  1.00 17.98           C  
ATOM    537  CG2 VAL A  70       6.896  -4.020  14.525  1.00 19.62           C  
ATOM    538  N   ILE A  71       6.567  -5.871  10.431  1.00 18.39           N  
ATOM    539  CA  ILE A  71       7.152  -6.358   9.199  1.00 17.37           C  
ATOM    540  C   ILE A  71       8.160  -5.321   8.692  1.00 18.44           C  
ATOM    541  O   ILE A  71       7.813  -4.146   8.459  1.00 19.21           O  
ATOM    542  CB  ILE A  71       6.095  -6.567   8.090  1.00 18.39           C  
ATOM    543  CG1 ILE A  71       4.854  -7.292   8.614  1.00 18.31           C  
ATOM    544  CG2 ILE A  71       6.699  -7.271   6.899  1.00 16.23           C  
ATOM    545  CD1 ILE A  71       5.127  -8.681   9.234  1.00 21.88           C  
ATOM    546  N   LEU A  72       9.397  -5.749   8.528  1.00 17.68           N  
ATOM    547  CA  LEU A  72      10.427  -4.910   7.918  1.00 17.15           C  
ATOM    548  C   LEU A  72      10.462  -5.222   6.449  1.00 17.99           C  
ATOM    549  O   LEU A  72      11.003  -6.231   6.043  1.00 18.04           O  
ATOM    550  CB  LEU A  72      11.806  -5.090   8.568  1.00 16.33           C  
ATOM    551  CG  LEU A  72      11.835  -4.745  10.055  1.00 15.95           C  
ATOM    552  CD1 LEU A  72      13.185  -5.142  10.687  1.00 18.56           C  
ATOM    553  CD2 LEU A  72      11.577  -3.216  10.378  1.00 15.90           C  
ATOM    554  N   TYR A  73       9.917  -4.290   5.648  1.00 17.51           N  
ATOM    555  CA  TYR A  73       9.668  -4.529   4.224  1.00 18.56           C  
ATOM    556  C   TYR A  73      10.609  -3.684   3.368  1.00 18.43           C  
ATOM    557  O   TYR A  73      10.375  -2.476   3.211  1.00 17.79           O  
ATOM    558  CB  TYR A  73       8.191  -4.235   3.964  1.00 18.34           C  
ATOM    559  CG  TYR A  73       7.691  -4.735   2.651  1.00 19.73           C  
ATOM    560  CD1 TYR A  73       7.392  -3.853   1.631  1.00 22.06           C  
ATOM    561  CD2 TYR A  73       7.444  -6.099   2.452  1.00 22.12           C  
ATOM    562  CE1 TYR A  73       6.875  -4.317   0.399  1.00 23.77           C  
ATOM    563  CE2 TYR A  73       6.946  -6.588   1.230  1.00 22.61           C  
ATOM    564  CZ  TYR A  73       6.666  -5.702   0.210  1.00 25.01           C  
ATOM    565  OH  TYR A  73       6.177  -6.178  -1.002  1.00 22.06           O  
ATOM    566  N   PRO A  74      11.721  -4.293   2.859  1.00 19.49           N  
ATOM    567  CA  PRO A  74      12.659  -3.548   2.010  1.00 19.75           C  
ATOM    568  C   PRO A  74      11.884  -2.848   0.875  1.00 20.94           C  
ATOM    569  O   PRO A  74      11.014  -3.478   0.230  1.00 20.80           O  
ATOM    570  CB  PRO A  74      13.555  -4.631   1.418  1.00 19.54           C  
ATOM    571  CG  PRO A  74      13.476  -5.765   2.386  1.00 20.47           C  
ATOM    572  CD  PRO A  74      12.072  -5.727   2.937  1.00 18.72           C  
ATOM    573  N   TYR A  75      12.131  -1.553   0.703  1.00 20.13           N  
ATOM    574  CA  TYR A  75      11.430  -0.777  -0.293  1.00 20.72           C  
ATOM    575  C   TYR A  75      12.389   0.209  -0.958  1.00 20.91           C  
ATOM    576  O   TYR A  75      12.994   1.043  -0.293  1.00 22.27           O  
ATOM    577  CB  TYR A  75      10.244  -0.036   0.345  1.00 20.71           C  
ATOM    578  CG  TYR A  75       9.084   0.142  -0.619  1.00 20.44           C  
ATOM    579  CD1 TYR A  75       8.423  -0.956  -1.155  1.00 21.33           C  
ATOM    580  CD2 TYR A  75       8.676   1.412  -1.007  1.00 21.60           C  
ATOM    581  CE1 TYR A  75       7.358  -0.794  -2.055  1.00 21.88           C  
ATOM    582  CE2 TYR A  75       7.615   1.598  -1.889  1.00 21.88           C  
ATOM    583  CZ  TYR A  75       6.960   0.492  -2.424  1.00 21.74           C  
ATOM    584  OH  TYR A  75       5.895   0.677  -3.304  1.00 23.20           O  
ATOM    585  N   ALA A  76      12.547   0.136  -2.273  1.00 20.63           N  
ATOM    586  CA  ALA A  76      13.529   1.001  -2.911  1.00 20.91           C  
ATOM    587  C   ALA A  76      13.007   2.395  -3.287  1.00 20.13           C  
ATOM    588  O   ALA A  76      13.741   3.193  -3.837  1.00 22.69           O  
ATOM    589  CB  ALA A  76      14.157   0.301  -4.118  1.00 20.56           C  
ATOM    590  N   HIS A  77      11.761   2.713  -2.959  1.00 20.37           N  
ATOM    591  CA  HIS A  77      11.124   3.861  -3.592  1.00 20.57           C  
ATOM    592  C   HIS A  77      10.806   5.086  -2.737  1.00 20.88           C  
ATOM    593  O   HIS A  77      10.119   5.998  -3.224  1.00 22.18           O  
ATOM    594  CB  HIS A  77       9.881   3.361  -4.326  1.00 20.82           C  
ATOM    595  CG  HIS A  77      10.176   2.173  -5.186  1.00 23.47           C  
ATOM    596  ND1 HIS A  77      10.942   2.268  -6.331  1.00 24.70           N  
ATOM    597  CD2 HIS A  77       9.902   0.856  -5.021  1.00 23.90           C  
ATOM    598  CE1 HIS A  77      11.069   1.067  -6.870  1.00 25.69           C  
ATOM    599  NE2 HIS A  77      10.457   0.193  -6.094  1.00 26.67           N  
ATOM    600  N   LEU A  78      11.266   5.125  -1.483  1.00 19.51           N  
ATOM    601  CA  LEU A  78      10.849   6.232  -0.577  1.00 19.64           C  
ATOM    602  C   LEU A  78      11.748   7.461  -0.599  1.00 20.40           C  
ATOM    603  O   LEU A  78      11.407   8.473  -0.011  1.00 20.67           O  
ATOM    604  CB  LEU A  78      10.692   5.770   0.891  1.00 18.46           C  
ATOM    605  CG  LEU A  78       9.727   4.600   1.137  1.00 16.54           C  
ATOM    606  CD1 LEU A  78       9.617   4.264   2.639  1.00 15.95           C  
ATOM    607  CD2 LEU A  78       8.355   4.892   0.526  1.00 17.27           C  
ATOM    608  N   SER A  79      12.891   7.367  -1.257  1.00 21.18           N  
ATOM    609  CA  SER A  79      13.760   8.535  -1.373  1.00 22.12           C  
ATOM    610  C   SER A  79      14.652   8.469  -2.607  1.00 21.41           C  
ATOM    611  O   SER A  79      14.663   7.469  -3.318  1.00 21.56           O  
ATOM    612  CB  SER A  79      14.616   8.741  -0.132  1.00 22.71           C  
ATOM    613  OG  SER A  79      15.896   8.111  -0.239  1.00 22.41           O  
ATOM    614  N   SER A  80      15.392   9.555  -2.815  1.00 21.69           N  
ATOM    615  CA  SER A  80      16.300   9.704  -3.948  1.00 22.40           C  
ATOM    616  C   SER A  80      17.740   9.813  -3.431  1.00 22.48           C  
ATOM    617  O   SER A  80      18.562  10.546  -4.004  1.00 22.78           O  
ATOM    618  CB  SER A  80      15.929  10.970  -4.730  1.00 21.50           C  
ATOM    619  OG  SER A  80      14.719  10.817  -5.483  1.00 22.49           O  
ATOM    620  N   ARG A  81      18.034   9.133  -2.313  1.00 23.14           N  
ATOM    621  CA  ARG A  81      19.426   8.962  -1.851  1.00 22.82           C  
ATOM    622  C   ARG A  81      19.679   7.533  -1.365  1.00 21.92           C  
ATOM    623  O   ARG A  81      20.164   7.319  -0.260  1.00 20.55           O  
ATOM    624  CB  ARG A  81      19.813  10.023  -0.789  1.00 24.78           C  
ATOM    625  CG  ARG A  81      18.709  10.348   0.220  1.00 27.84           C  
ATOM    626  CD  ARG A  81      19.156  11.371   1.287  1.00 35.65           C  
ATOM    627  NE  ARG A  81      18.110  11.617   2.300  1.00 39.60           N  
ATOM    628  CZ  ARG A  81      18.190  12.500   3.307  1.00 42.65           C  
ATOM    629  NH1 ARG A  81      19.267  13.264   3.479  1.00 45.14           N  
ATOM    630  NH2 ARG A  81      17.181  12.630   4.155  1.00 41.91           N  
ATOM    631  N   LEU A  82      19.401   6.583  -2.247  1.00 22.08           N  
ATOM    632  CA  LEU A  82      19.517   5.143  -1.962  1.00 22.28           C  
ATOM    633  C   LEU A  82      20.945   4.747  -1.691  1.00 23.99           C  
ATOM    634  O   LEU A  82      21.890   5.261  -2.330  1.00 23.52           O  
ATOM    635  CB  LEU A  82      19.005   4.311  -3.140  1.00 23.19           C  
ATOM    636  CG  LEU A  82      17.595   3.773  -3.071  1.00 23.34           C  
ATOM    637  CD1 LEU A  82      16.685   4.946  -2.770  1.00 29.09           C  
ATOM    638  CD2 LEU A  82      17.217   3.008  -4.383  1.00 21.08           C  
ATOM    639  N   ALA A  83      21.093   3.834  -0.730  1.00 23.77           N  
ATOM    640  CA  ALA A  83      22.346   3.128  -0.522  1.00 24.50           C  
ATOM    641  C   ALA A  83      22.377   2.057  -1.604  1.00 24.42           C  
ATOM    642  O   ALA A  83      21.334   1.642  -2.120  1.00 23.50           O  
ATOM    643  CB  ALA A  83      22.393   2.473   0.868  1.00 23.23           C  
ATOM    644  N   LYS A  84      23.585   1.620  -1.940  1.00 24.93           N  
ATOM    645  CA  LYS A  84      23.793   0.551  -2.895  1.00 26.57           C  
ATOM    646  C   LYS A  84      23.241  -0.752  -2.292  1.00 26.94           C  
ATOM    647  O   LYS A  84      23.116  -0.836  -1.061  1.00 27.14           O  
ATOM    648  CB  LYS A  84      25.297   0.441  -3.161  1.00 27.46           C  
ATOM    649  CG  LYS A  84      25.945   1.723  -3.700  1.00 31.41           C  
ATOM    650  CD  LYS A  84      27.470   1.550  -3.611  1.00 39.95           C  
ATOM    651  CE  LYS A  84      28.234   2.790  -4.049  1.00 43.79           C  
ATOM    652  NZ  LYS A  84      29.618   2.355  -4.425  1.00 46.91           N  
ATOM    653  N   PRO A  85      22.897  -1.760  -3.122  1.00 26.91           N  
ATOM    654  CA  PRO A  85      22.140  -2.922  -2.611  1.00 27.70           C  
ATOM    655  C   PRO A  85      22.838  -3.712  -1.518  1.00 27.08           C  
ATOM    656  O   PRO A  85      22.179  -4.131  -0.579  1.00 27.37           O  
ATOM    657  CB  PRO A  85      21.947  -3.798  -3.859  1.00 28.17           C  
ATOM    658  CG  PRO A  85      21.911  -2.779  -4.973  1.00 27.91           C  
ATOM    659  CD  PRO A  85      23.073  -1.874  -4.582  1.00 28.04           C  
ATOM    660  N   MET A  86      24.160  -3.857  -1.603  1.00 28.32           N  
ATOM    661  CA  MET A  86      24.894  -4.631  -0.598  1.00 27.61           C  
ATOM    662  C   MET A  86      24.864  -3.928   0.782  1.00 27.07           C  
ATOM    663  O   MET A  86      24.589  -4.595   1.790  1.00 26.84           O  
ATOM    664  CB  MET A  86      26.339  -4.908  -1.033  1.00 28.99           C  
ATOM    665  CG  MET A  86      27.263  -3.812  -0.969  0.00 28.56           C  
ATOM    666  SD  MET A  86      28.920  -4.276  -1.509  0.00 28.79           S  
ATOM    667  CE  MET A  86      29.463  -5.279  -0.118  0.00 28.69           C  
ATOM    668  N   ALA A  87      25.136  -2.615   0.814  1.00 24.55           N  
ATOM    669  CA  ALA A  87      25.039  -1.795   2.045  1.00 23.77           C  
ATOM    670  C   ALA A  87      23.613  -1.851   2.578  1.00 22.50           C  
ATOM    671  O   ALA A  87      23.408  -1.971   3.796  1.00 22.57           O  
ATOM    672  CB  ALA A  87      25.437  -0.343   1.778  1.00 23.31           C  
ATOM    673  N   ALA A  88      22.645  -1.755   1.664  1.00 20.87           N  
ATOM    674  CA  ALA A  88      21.220  -1.762   2.002  1.00 20.68           C  
ATOM    675  C   ALA A  88      20.811  -3.042   2.686  1.00 21.18           C  
ATOM    676  O   ALA A  88      20.172  -3.006   3.745  1.00 20.79           O  
ATOM    677  CB  ALA A  88      20.354  -1.477   0.752  1.00 19.21           C  
ATOM    678  N   HIS A  89      21.181  -4.181   2.083  1.00 21.76           N  
ATOM    679  CA  HIS A  89      20.882  -5.493   2.663  1.00 22.08           C  
ATOM    680  C   HIS A  89      21.438  -5.619   4.091  1.00 21.95           C  
ATOM    681  O   HIS A  89      20.718  -6.070   5.006  1.00 21.41           O  
ATOM    682  CB  HIS A  89      21.465  -6.610   1.785  1.00 22.49           C  
ATOM    683  CG  HIS A  89      21.048  -7.987   2.211  1.00 24.02           C  
ATOM    684  ND1 HIS A  89      21.953  -8.993   2.496  1.00 26.06           N  
ATOM    685  CD2 HIS A  89      19.823  -8.518   2.406  1.00 24.68           C  
ATOM    686  CE1 HIS A  89      21.298 -10.086   2.839  1.00 25.42           C  
ATOM    687  NE2 HIS A  89      20.001  -9.827   2.785  1.00 26.07           N  
ATOM    688  N   LYS A  90      22.712  -5.227   4.238  1.00 22.51           N  
ATOM    689  CA  LYS A  90      23.443  -5.248   5.504  1.00 24.44           C  
ATOM    690  C   LYS A  90      22.754  -4.437   6.589  1.00 23.56           C  
ATOM    691  O   LYS A  90      22.575  -4.926   7.700  1.00 23.19           O  
ATOM    692  CB  LYS A  90      24.882  -4.753   5.322  1.00 25.63           C  
ATOM    693  CG  LYS A  90      25.743  -4.839   6.600  1.00 30.02           C  
ATOM    694  CD  LYS A  90      27.248  -4.549   6.322  1.00 35.82           C  
ATOM    695  CE  LYS A  90      28.069  -4.335   7.616  1.00 41.52           C  
ATOM    696  NZ  LYS A  90      28.492  -5.621   8.304  1.00 44.13           N  
ATOM    697  N   ARG A  91      22.347  -3.218   6.249  1.00 22.30           N  
ATOM    698  CA  ARG A  91      21.612  -2.370   7.175  1.00 22.15           C  
ATOM    699  C   ARG A  91      20.235  -2.944   7.572  1.00 21.09           C  
ATOM    700  O   ARG A  91      19.815  -2.794   8.730  1.00 20.71           O  
ATOM    701  CB  ARG A  91      21.505  -0.951   6.582  1.00 22.36           C  
ATOM    702  CG  ARG A  91      21.989   0.168   7.522  1.00 28.77           C  
ATOM    703  CD  ARG A  91      23.444  -0.056   8.137  1.00 31.42           C  
ATOM    704  NE  ARG A  91      24.355   0.045   7.031  1.00 38.33           N  
ATOM    705  CZ  ARG A  91      25.558  -0.493   6.915  1.00 38.70           C  
ATOM    706  NH1 ARG A  91      26.187  -0.303   5.769  1.00 38.29           N  
ATOM    707  NH2 ARG A  91      26.125  -1.208   7.884  1.00 41.53           N  
ATOM    708  N   LEU A  92      19.557  -3.614   6.645  1.00 19.32           N  
ATOM    709  CA  LEU A  92      18.250  -4.202   6.936  1.00 19.85           C  
ATOM    710  C   LEU A  92      18.394  -5.392   7.854  1.00 19.87           C  
ATOM    711  O   LEU A  92      17.549  -5.612   8.723  1.00 18.60           O  
ATOM    712  CB  LEU A  92      17.512  -4.619   5.641  1.00 19.25           C  
ATOM    713  CG  LEU A  92      16.566  -3.487   5.187  1.00 21.95           C  
ATOM    714  CD1 LEU A  92      16.399  -3.520   3.684  1.00 26.38           C  
ATOM    715  CD2 LEU A  92      15.202  -3.616   5.891  1.00 22.40           C  
ATOM    716  N   ILE A  93      19.470  -6.149   7.660  1.00 20.23           N  
ATOM    717  CA  ILE A  93      19.817  -7.218   8.574  1.00 21.68           C  
ATOM    718  C   ILE A  93      20.134  -6.657   9.958  1.00 20.62           C  
ATOM    719  O   ILE A  93      19.662  -7.196  10.934  1.00 20.13           O  
ATOM    720  CB  ILE A  93      20.967  -8.106   8.039  1.00 22.73           C  
ATOM    721  CG1 ILE A  93      20.465  -8.891   6.818  1.00 24.78           C  
ATOM    722  CG2 ILE A  93      21.457  -9.090   9.146  1.00 22.26           C  
ATOM    723  CD1 ILE A  93      21.549  -9.490   6.016  1.00 30.00           C  
ATOM    724  N   GLU A  94      20.899  -5.566  10.027  1.00 20.47           N  
ATOM    725  CA  GLU A  94      21.178  -4.919  11.307  1.00 21.00           C  
ATOM    726  C   GLU A  94      19.886  -4.391  11.951  1.00 20.40           C  
ATOM    727  O   GLU A  94      19.688  -4.506  13.169  1.00 20.80           O  
ATOM    728  CB  GLU A  94      22.161  -3.777  11.118  1.00 21.83           C  
ATOM    729  CG  GLU A  94      23.567  -4.248  10.826  1.00 25.08           C  
ATOM    730  CD  GLU A  94      24.442  -3.100  10.363  1.00 28.48           C  
ATOM    731  OE1 GLU A  94      24.054  -1.933  10.539  1.00 28.20           O  
ATOM    732  OE2 GLU A  94      25.536  -3.368   9.830  1.00 32.33           O  
ATOM    733  N   LEU A  95      19.016  -3.803  11.141  1.00 19.40           N  
ATOM    734  CA  LEU A  95      17.755  -3.266  11.656  1.00 19.63           C  
ATOM    735  C   LEU A  95      16.888  -4.345  12.304  1.00 20.25           C  
ATOM    736  O   LEU A  95      16.313  -4.120  13.377  1.00 20.51           O  
ATOM    737  CB  LEU A  95      16.970  -2.535  10.559  1.00 19.49           C  
ATOM    738  CG  LEU A  95      15.640  -1.876  10.940  1.00 20.95           C  
ATOM    739  CD1 LEU A  95      15.860  -0.783  12.027  1.00 22.64           C  
ATOM    740  CD2 LEU A  95      14.991  -1.298   9.687  1.00 17.67           C  
ATOM    741  N   GLU A  96      16.762  -5.490  11.635  1.00 20.45           N  
ATOM    742  CA  GLU A  96      16.038  -6.635  12.173  1.00 20.56           C  
ATOM    743  C   GLU A  96      16.602  -7.027  13.539  1.00 19.97           C  
ATOM    744  O   GLU A  96      15.851  -7.147  14.500  1.00 20.45           O  
ATOM    745  CB  GLU A  96      16.154  -7.843  11.229  1.00 21.01           C  
ATOM    746  CG  GLU A  96      15.501  -9.080  11.827  1.00 25.21           C  
ATOM    747  CD  GLU A  96      15.743 -10.355  11.008  1.00 28.54           C  
ATOM    748  OE1 GLU A  96      16.501 -10.304  10.010  1.00 26.47           O  
ATOM    749  OE2 GLU A  96      15.136 -11.396  11.373  1.00 31.25           O  
ATOM    750  N   GLY A  97      17.921  -7.214  13.624  1.00 20.99           N  
ATOM    751  CA  GLY A  97      18.574  -7.568  14.906  1.00 20.92           C  
ATOM    752  C   GLY A  97      18.351  -6.539  16.006  1.00 20.96           C  
ATOM    753  O   GLY A  97      18.015  -6.896  17.146  1.00 21.69           O  
ATOM    754  N   ALA A  98      18.569  -5.259  15.679  1.00 20.47           N  
ATOM    755  CA  ALA A  98      18.343  -4.116  16.585  1.00 19.19           C  
ATOM    756  C   ALA A  98      16.926  -4.022  17.095  1.00 18.12           C  
ATOM    757  O   ALA A  98      16.701  -3.726  18.281  1.00 18.36           O  
ATOM    758  CB  ALA A  98      18.679  -2.804  15.861  1.00 19.43           C  
ATOM    759  N   LEU A  99      15.959  -4.227  16.202  1.00 17.51           N  
ATOM    760  CA  LEU A  99      14.553  -4.136  16.612  1.00 16.91           C  
ATOM    761  C   LEU A  99      14.235  -5.197  17.684  1.00 18.08           C  
ATOM    762  O   LEU A  99      13.480  -4.930  18.628  1.00 17.25           O  
ATOM    763  CB  LEU A  99      13.596  -4.205  15.411  1.00 15.81           C  
ATOM    764  CG  LEU A  99      12.128  -4.055  15.785  1.00 17.47           C  
ATOM    765  CD1 LEU A  99      11.878  -2.698  16.489  1.00 17.52           C  
ATOM    766  CD2 LEU A  99      11.277  -4.166  14.522  1.00 20.89           C  
ATOM    767  N   ARG A 100      14.809  -6.391  17.531  1.00 18.56           N  
ATOM    768  CA  ARG A 100      14.548  -7.479  18.496  1.00 21.09           C  
ATOM    769  C   ARG A 100      15.079  -7.144  19.902  1.00 21.30           C  
ATOM    770  O   ARG A 100      14.639  -7.717  20.895  1.00 21.33           O  
ATOM    771  CB  ARG A 100      15.177  -8.783  18.021  1.00 21.01           C  
ATOM    772  CG  ARG A 100      14.758  -9.225  16.684  1.00 21.91           C  
ATOM    773  CD  ARG A 100      15.239 -10.687  16.436  1.00 24.89           C  
ATOM    774  NE  ARG A 100      14.918 -11.120  15.072  1.00 21.92           N  
ATOM    775  CZ  ARG A 100      13.699 -11.511  14.720  1.00 21.83           C  
ATOM    776  NH1 ARG A 100      12.742 -11.560  15.638  1.00 22.16           N  
ATOM    777  NH2 ARG A 100      13.435 -11.881  13.478  1.00 21.57           N  
ATOM    778  N   THR A 101      16.036  -6.219  19.974  1.00 22.26           N  
ATOM    779  CA  THR A 101      16.545  -5.762  21.282  1.00 22.37           C  
ATOM    780  C   THR A 101      15.669  -4.702  21.923  1.00 22.65           C  
ATOM    781  O   THR A 101      15.905  -4.329  23.073  1.00 22.63           O  
ATOM    782  CB  THR A 101      17.989  -5.207  21.189  1.00 22.29           C  
ATOM    783  OG1 THR A 101      17.968  -3.892  20.609  1.00 22.94           O  
ATOM    784  CG2 THR A 101      18.891  -6.145  20.368  1.00 22.85           C  
ATOM    785  N   LYS A 102      14.695  -4.181  21.168  1.00 21.86           N  
ATOM    786  CA  LYS A 102      13.877  -3.086  21.646  1.00 21.66           C  
ATOM    787  C   LYS A 102      12.377  -3.375  21.721  1.00 21.27           C  
ATOM    788  O   LYS A 102      11.636  -2.740  22.492  1.00 20.45           O  
ATOM    789  CB  LYS A 102      14.126  -1.815  20.793  1.00 22.26           C  
ATOM    790  CG  LYS A 102      15.524  -1.273  20.850  1.00 21.63           C  
ATOM    791  CD  LYS A 102      15.881  -0.848  22.281  1.00 30.46           C  
ATOM    792  CE  LYS A 102      17.389  -0.583  22.440  1.00 36.85           C  
ATOM    793  NZ  LYS A 102      17.812   0.477  21.452  1.00 38.32           N  
ATOM    794  N   PHE A 103      11.943  -4.363  20.948  1.00 21.89           N  
ATOM    795  CA  PHE A 103      10.507  -4.680  20.734  1.00 21.35           C  
ATOM    796  C   PHE A 103      10.357  -6.192  20.959  1.00 21.12           C  
ATOM    797  O   PHE A 103      11.150  -6.950  20.431  1.00 21.30           O  
ATOM    798  CB  PHE A 103      10.123  -4.255  19.298  1.00 20.69           C  
ATOM    799  CG  PHE A 103       8.804  -4.809  18.803  1.00 21.40           C  
ATOM    800  CD1 PHE A 103       7.594  -4.314  19.280  1.00 22.40           C  
ATOM    801  CD2 PHE A 103       8.776  -5.780  17.808  1.00 19.63           C  
ATOM    802  CE1 PHE A 103       6.347  -4.839  18.799  1.00 20.57           C  
ATOM    803  CE2 PHE A 103       7.567  -6.286  17.351  1.00 18.59           C  
ATOM    804  CZ  PHE A 103       6.362  -5.795  17.837  1.00 18.96           C  
ATOM    805  N   PRO A 104       9.374  -6.621  21.791  1.00 21.49           N  
ATOM    806  CA  PRO A 104       9.205  -8.021  22.237  1.00 22.13           C  
ATOM    807  C   PRO A 104       8.344  -8.905  21.346  1.00 22.35           C  
ATOM    808  O   PRO A 104       8.192 -10.097  21.619  1.00 22.85           O  
ATOM    809  CB  PRO A 104       8.495  -7.864  23.595  1.00 22.10           C  
ATOM    810  CG  PRO A 104       7.755  -6.600  23.472  1.00 24.04           C  
ATOM    811  CD  PRO A 104       8.561  -5.689  22.599  1.00 21.25           C  
ATOM    812  N   GLY A 105       7.753  -8.336  20.306  1.00 21.91           N  
ATOM    813  CA  GLY A 105       6.835  -9.101  19.491  1.00 21.24           C  
ATOM    814  C   GLY A 105       7.495  -9.716  18.273  1.00 20.15           C  
ATOM    815  O   GLY A 105       8.753  -9.770  18.162  1.00 21.59           O  
ATOM    816  N   HIS A 106       6.649 -10.132  17.346  1.00 19.66           N  
ATOM    817  CA  HIS A 106       7.072 -10.852  16.141  1.00 20.35           C  
ATOM    818  C   HIS A 106       7.766  -9.847  15.200  1.00 20.52           C  
ATOM    819  O   HIS A 106       7.181  -8.847  14.852  1.00 21.53           O  
ATOM    820  CB  HIS A 106       5.831 -11.430  15.490  1.00 20.06           C  
ATOM    821  CG  HIS A 106       6.100 -12.191  14.232  1.00 20.12           C  
ATOM    822  ND1 HIS A 106       5.086 -12.583  13.392  1.00 20.87           N  
ATOM    823  CD2 HIS A 106       7.253 -12.628  13.665  1.00 19.76           C  
ATOM    824  CE1 HIS A 106       5.598 -13.226  12.358  1.00 20.29           C  
ATOM    825  NE2 HIS A 106       6.909 -13.276  12.499  1.00 19.10           N  
ATOM    826  N   VAL A 107       9.006 -10.099  14.792  1.00 21.68           N  
ATOM    827  CA  VAL A 107       9.672  -9.260  13.782  1.00 20.99           C  
ATOM    828  C   VAL A 107       9.930 -10.104  12.527  1.00 21.24           C  
ATOM    829  O   VAL A 107      10.652 -11.143  12.557  1.00 20.53           O  
ATOM    830  CB  VAL A 107      11.016  -8.656  14.278  1.00 20.17           C  
ATOM    831  CG1 VAL A 107      11.743  -7.895  13.122  1.00 17.13           C  
ATOM    832  CG2 VAL A 107      10.800  -7.787  15.542  1.00 19.24           C  
ATOM    833  N   HIS A 108       9.308  -9.693  11.418  1.00 20.14           N  
ATOM    834  CA  HIS A 108       9.497 -10.391  10.146  1.00 20.90           C  
ATOM    835  C   HIS A 108      10.208  -9.521   9.140  1.00 21.28           C  
ATOM    836  O   HIS A 108       9.654  -8.496   8.731  1.00 21.69           O  
ATOM    837  CB  HIS A 108       8.161 -10.847   9.538  1.00 20.85           C  
ATOM    838  CG  HIS A 108       8.328 -11.574   8.229  1.00 22.48           C  
ATOM    839  ND1 HIS A 108       8.496 -12.941   8.155  1.00 22.86           N  
ATOM    840  CD2 HIS A 108       8.369 -11.124   6.949  1.00 23.53           C  
ATOM    841  CE1 HIS A 108       8.627 -13.302   6.889  1.00 23.13           C  
ATOM    842  NE2 HIS A 108       8.540 -12.221   6.138  1.00 22.02           N  
ATOM    843  N   ARG A 109      11.440  -9.886   8.768  1.00 21.75           N  
ATOM    844  CA  ARG A 109      12.133  -9.163   7.724  1.00 21.91           C  
ATOM    845  C   ARG A 109      11.819  -9.844   6.413  1.00 22.98           C  
ATOM    846  O   ARG A 109      12.164 -11.024   6.224  1.00 23.58           O  
ATOM    847  CB  ARG A 109      13.666  -9.158   7.941  1.00 23.29           C  
ATOM    848  CG  ARG A 109      14.415  -8.288   6.925  1.00 21.44           C  
ATOM    849  CD  ARG A 109      15.936  -8.216   7.182  1.00 24.86           C  
ATOM    850  NE  ARG A 109      16.619  -9.506   7.170  1.00 29.07           N  
ATOM    851  CZ  ARG A 109      16.856 -10.214   6.061  1.00 32.18           C  
ATOM    852  NH1 ARG A 109      16.424  -9.793   4.876  1.00 36.56           N  
ATOM    853  NH2 ARG A 109      17.501 -11.353   6.144  1.00 36.54           N  
ATOM    854  N   ALA A 110      11.169  -9.112   5.505  1.00 22.47           N  
ATOM    855  CA  ALA A 110      10.811  -9.662   4.197  1.00 22.42           C  
ATOM    856  C   ALA A 110      12.073  -9.671   3.350  1.00 22.25           C  
ATOM    857  O   ALA A 110      12.988  -8.881   3.600  1.00 22.33           O  
ATOM    858  CB  ALA A 110       9.741  -8.807   3.546  1.00 21.63           C  
ATOM    859  N   PRO A 111      12.142 -10.567   2.346  1.00 22.99           N  
ATOM    860  CA  PRO A 111      13.387 -10.722   1.554  1.00 23.37           C  
ATOM    861  C   PRO A 111      13.787  -9.475   0.764  1.00 23.10           C  
ATOM    862  O   PRO A 111      12.926  -8.716   0.321  1.00 23.90           O  
ATOM    863  CB  PRO A 111      13.090 -11.882   0.583  1.00 23.54           C  
ATOM    864  CG  PRO A 111      11.603 -12.142   0.702  1.00 22.89           C  
ATOM    865  CD  PRO A 111      11.083 -11.531   1.967  1.00 22.73           C  
ATOM    866  N   PHE A 112      15.089  -9.309   0.584  1.00 23.12           N  
ATOM    867  CA  PHE A 112      15.666  -8.187  -0.125  1.00 23.60           C  
ATOM    868  C   PHE A 112      16.102  -8.571  -1.549  1.00 24.47           C  
ATOM    869  O   PHE A 112      16.628  -9.674  -1.753  1.00 25.60           O  
ATOM    870  CB  PHE A 112      16.882  -7.714   0.695  1.00 24.29           C  
ATOM    871  CG  PHE A 112      17.569  -6.505   0.134  1.00 22.96           C  
ATOM    872  CD1 PHE A 112      18.458  -6.615  -0.942  1.00 23.27           C  
ATOM    873  CD2 PHE A 112      17.341  -5.251   0.675  1.00 21.79           C  
ATOM    874  CE1 PHE A 112      19.100  -5.494  -1.465  1.00 23.11           C  
ATOM    875  CE2 PHE A 112      17.970  -4.130   0.137  1.00 18.80           C  
ATOM    876  CZ  PHE A 112      18.856  -4.240  -0.904  1.00 19.76           C  
ATOM    877  N   GLY A 113      15.934  -7.662  -2.524  1.00 24.06           N  
ATOM    878  CA  GLY A 113      16.400  -7.884  -3.909  1.00 24.02           C  
ATOM    879  C   GLY A 113      15.408  -8.454  -4.928  1.00 24.75           C  
ATOM    880  O   GLY A 113      15.814  -8.768  -6.047  1.00 26.50           O  
ATOM    881  N   TRP A 114      14.122  -8.579  -4.571  1.00 25.24           N  
ATOM    882  CA  TRP A 114      13.069  -9.098  -5.464  1.00 25.52           C  
ATOM    883  C   TRP A 114      11.993  -8.049  -5.779  1.00 25.55           C  
ATOM    884  O   TRP A 114      11.760  -7.114  -4.986  1.00 25.22           O  
ATOM    885  CB  TRP A 114      12.361 -10.319  -4.844  1.00 26.44           C  
ATOM    886  CG  TRP A 114      13.318 -11.412  -4.510  1.00 29.03           C  
ATOM    887  CD1 TRP A 114      14.139 -11.482  -3.408  1.00 31.38           C  
ATOM    888  CD2 TRP A 114      13.580 -12.596  -5.285  1.00 29.24           C  
ATOM    889  NE1 TRP A 114      14.907 -12.639  -3.458  1.00 30.56           N  
ATOM    890  CE2 TRP A 114      14.582 -13.337  -4.595  1.00 30.10           C  
ATOM    891  CE3 TRP A 114      13.076 -13.096  -6.499  1.00 29.72           C  
ATOM    892  CZ2 TRP A 114      15.095 -14.557  -5.086  1.00 30.99           C  
ATOM    893  CZ3 TRP A 114      13.585 -14.306  -6.988  1.00 29.43           C  
ATOM    894  CH2 TRP A 114      14.578 -15.026  -6.274  1.00 31.25           C  
ATOM    895  N   TYR A 115      11.327  -8.200  -6.930  1.00 24.18           N  
ATOM    896  CA  TYR A 115      10.080  -7.492  -7.142  1.00 24.07           C  
ATOM    897  C   TYR A 115       9.061  -8.283  -6.372  1.00 24.89           C  
ATOM    898  O   TYR A 115       9.206  -9.521  -6.197  1.00 26.51           O  
ATOM    899  CB  TYR A 115       9.732  -7.420  -8.634  1.00 23.83           C  
ATOM    900  CG  TYR A 115      10.736  -6.660  -9.432  1.00 24.91           C  
ATOM    901  CD1 TYR A 115      10.910  -5.285  -9.244  1.00 26.47           C  
ATOM    902  CD2 TYR A 115      11.521  -7.293 -10.394  1.00 24.66           C  
ATOM    903  CE1 TYR A 115      11.856  -4.581  -9.962  1.00 25.56           C  
ATOM    904  CE2 TYR A 115      12.484  -6.575 -11.121  1.00 26.96           C  
ATOM    905  CZ  TYR A 115      12.620  -5.228 -10.911  1.00 26.92           C  
ATOM    906  OH  TYR A 115      13.558  -4.504 -11.615  1.00 27.20           O  
ATOM    907  N   LYS A 116       8.027  -7.627  -5.887  1.00 24.77           N  
ATOM    908  CA  LYS A 116       7.048  -8.337  -5.094  1.00 25.67           C  
ATOM    909  C   LYS A 116       5.653  -7.935  -5.444  1.00 25.76           C  
ATOM    910  O   LYS A 116       5.404  -6.802  -5.839  1.00 26.20           O  
ATOM    911  CB  LYS A 116       7.244  -8.091  -3.586  1.00 25.47           C  
ATOM    912  CG  LYS A 116       8.579  -8.627  -3.006  1.00 25.26           C  
ATOM    913  CD  LYS A 116       8.584  -8.374  -1.518  1.00 26.59           C  
ATOM    914  CE  LYS A 116       9.825  -8.892  -0.837  1.00 28.86           C  
ATOM    915  NZ  LYS A 116      10.209  -7.887   0.272  1.00 28.53           N  
ATOM    916  N   SER A 117       4.728  -8.846  -5.227  1.00 26.17           N  
ATOM    917  CA  SER A 117       3.333  -8.488  -5.257  1.00 26.69           C  
ATOM    918  C   SER A 117       3.008  -8.377  -3.796  1.00 27.12           C  
ATOM    919  O   SER A 117       3.672  -9.012  -2.959  1.00 26.84           O  
ATOM    920  CB  SER A 117       2.502  -9.566  -5.968  1.00 27.55           C  
ATOM    921  OG  SER A 117       2.485 -10.805  -5.255  1.00 28.65           O  
ATOM    922  N   PHE A 118       2.053  -7.525  -3.456  1.00 26.97           N  
ATOM    923  CA  PHE A 118       1.622  -7.465  -2.082  1.00 27.01           C  
ATOM    924  C   PHE A 118       0.197  -7.003  -2.008  1.00 27.88           C  
ATOM    925  O   PHE A 118      -0.373  -6.467  -2.979  1.00 27.52           O  
ATOM    926  CB  PHE A 118       2.546  -6.608  -1.206  1.00 26.34           C  
ATOM    927  CG  PHE A 118       2.339  -5.113  -1.363  1.00 25.49           C  
ATOM    928  CD1 PHE A 118       3.178  -4.363  -2.188  1.00 23.41           C  
ATOM    929  CD2 PHE A 118       1.294  -4.472  -0.697  1.00 24.05           C  
ATOM    930  CE1 PHE A 118       3.002  -2.973  -2.321  1.00 23.14           C  
ATOM    931  CE2 PHE A 118       1.105  -3.072  -0.845  1.00 25.00           C  
ATOM    932  CZ  PHE A 118       1.958  -2.344  -1.649  1.00 21.20           C  
ATOM    933  N   SER A 119      -0.377  -7.229  -0.838  1.00 28.10           N  
ATOM    934  CA  SER A 119      -1.691  -6.798  -0.565  1.00 29.01           C  
ATOM    935  C   SER A 119      -1.673  -6.306   0.879  1.00 28.76           C  
ATOM    936  O   SER A 119      -1.035  -6.926   1.733  1.00 29.38           O  
ATOM    937  CB  SER A 119      -2.619  -7.984  -0.779  1.00 29.24           C  
ATOM    938  OG  SER A 119      -3.936  -7.563  -0.594  1.00 33.28           O  
ATOM    939  N   ILE A 120      -2.315  -5.172   1.141  1.00 27.99           N  
ATOM    940  CA  ILE A 120      -2.396  -4.589   2.483  1.00 27.99           C  
ATOM    941  C   ILE A 120      -3.751  -3.972   2.687  1.00 29.16           C  
ATOM    942  O   ILE A 120      -4.309  -3.390   1.749  1.00 29.55           O  
ATOM    943  CB  ILE A 120      -1.333  -3.466   2.695  1.00 28.10           C  
ATOM    944  CG1 ILE A 120      -1.258  -3.037   4.164  1.00 24.75           C  
ATOM    945  CG2 ILE A 120      -1.622  -2.210   1.786  1.00 27.69           C  
ATOM    946  CD1 ILE A 120      -0.025  -2.184   4.482  1.00 25.29           C  
ATOM    947  N   ALA A 121      -4.270  -4.058   3.910  1.00 29.31           N  
ATOM    948  CA  ALA A 121      -5.431  -3.297   4.298  1.00 29.55           C  
ATOM    949  C   ALA A 121      -4.987  -2.414   5.445  1.00 29.63           C  
ATOM    950  O   ALA A 121      -4.721  -2.875   6.580  1.00 29.34           O  
ATOM    951  CB  ALA A 121      -6.597  -4.211   4.712  1.00 29.88           C  
ATOM    952  N   CYS A 122      -4.854  -1.136   5.129  1.00 27.66           N  
ATOM    953  CA  CYS A 122      -4.308  -0.176   6.022  1.00 27.97           C  
ATOM    954  C   CYS A 122      -5.446   0.482   6.781  1.00 28.77           C  
ATOM    955  O   CYS A 122      -6.424   0.919   6.174  1.00 28.12           O  
ATOM    956  CB  CYS A 122      -3.583   0.876   5.187  1.00 28.35           C  
ATOM    957  SG  CYS A 122      -2.779   2.128   6.104  1.00 29.53           S  
ATOM    958  N   LYS A 123      -5.288   0.582   8.106  1.00 28.25           N  
ATOM    959  CA  LYS A 123      -6.289   1.163   8.996  1.00 29.04           C  
ATOM    960  C   LYS A 123      -6.483   2.647   8.781  1.00 29.29           C  
ATOM    961  O   LYS A 123      -5.547   3.360   8.369  1.00 27.22           O  
ATOM    962  CB  LYS A 123      -5.895   0.963  10.466  1.00 29.28           C  
ATOM    963  CG  LYS A 123      -5.945  -0.496  10.925  1.00 30.63           C  
ATOM    964  CD  LYS A 123      -5.673  -0.548  12.417  1.00 29.72           C  
ATOM    965  CE  LYS A 123      -5.800  -1.968  12.899  1.00 33.26           C  
ATOM    966  NZ  LYS A 123      -7.246  -2.243  13.136  1.00 36.44           N  
ATOM    967  N   GLY A 124      -7.690   3.106   9.134  1.00 27.81           N  
ATOM    968  CA  GLY A 124      -8.067   4.484   8.963  1.00 27.19           C  
ATOM    969  C   GLY A 124      -7.735   5.462  10.065  1.00 26.68           C  
ATOM    970  O   GLY A 124      -7.918   6.669   9.886  1.00 26.76           O  
ATOM    971  N   HIS A 125      -7.255   4.985  11.212  1.00 26.89           N  
ATOM    972  CA  HIS A 125      -7.042   5.893  12.328  1.00 27.22           C  
ATOM    973  C   HIS A 125      -5.901   6.868  12.047  1.00 27.00           C  
ATOM    974  O   HIS A 125      -5.085   6.620  11.139  1.00 27.95           O  
ATOM    975  CB  HIS A 125      -6.875   5.139  13.672  1.00 28.26           C  
ATOM    976  CG  HIS A 125      -5.541   4.466  13.862  1.00 27.49           C  
ATOM    977  ND1 HIS A 125      -4.413   5.140  14.281  1.00 27.27           N  
ATOM    978  CD2 HIS A 125      -5.180   3.162  13.746  1.00 26.22           C  
ATOM    979  CE1 HIS A 125      -3.415   4.282  14.416  1.00 28.79           C  
ATOM    980  NE2 HIS A 125      -3.850   3.076  14.084  1.00 25.47           N  
ATOM    981  N   PRO A 126      -5.851   7.975  12.801  1.00 27.26           N  
ATOM    982  CA  PRO A 126      -4.948   9.091  12.598  1.00 27.21           C  
ATOM    983  C   PRO A 126      -3.457   8.749  12.599  1.00 27.89           C  
ATOM    984  O   PRO A 126      -2.668   9.451  11.948  1.00 27.64           O  
ATOM    985  CB  PRO A 126      -5.269  10.001  13.769  1.00 27.82           C  
ATOM    986  CG  PRO A 126      -6.787   9.785  13.922  1.00 27.92           C  
ATOM    987  CD  PRO A 126      -6.900   8.305  13.797  1.00 27.15           C  
ATOM    988  N   LEU A 127      -3.075   7.688  13.299  1.00 27.17           N  
ATOM    989  CA  LEU A 127      -1.661   7.321  13.376  1.00 26.24           C  
ATOM    990  C   LEU A 127      -1.390   6.105  12.543  1.00 24.83           C  
ATOM    991  O   LEU A 127      -0.332   5.520  12.673  1.00 25.30           O  
ATOM    992  CB  LEU A 127      -1.233   7.087  14.842  1.00 27.01           C  
ATOM    993  CG  LEU A 127      -1.300   8.281  15.791  1.00 29.45           C  
ATOM    994  CD1 LEU A 127      -1.086   7.822  17.236  1.00 34.34           C  
ATOM    995  CD2 LEU A 127      -0.314   9.362  15.409  1.00 33.82           C  
ATOM    996  N   ALA A 128      -2.304   5.734  11.652  1.00 24.12           N  
ATOM    997  CA  ALA A 128      -2.130   4.505  10.886  1.00 23.68           C  
ATOM    998  C   ALA A 128      -1.142   4.649   9.740  1.00 23.11           C  
ATOM    999  O   ALA A 128      -0.721   3.650   9.178  1.00 21.92           O  
ATOM   1000  CB  ALA A 128      -3.445   3.994  10.363  1.00 24.39           C  
ATOM   1001  N   GLU A 129      -0.810   5.888   9.368  1.00 23.22           N  
ATOM   1002  CA  GLU A 129       0.143   6.122   8.257  1.00 22.43           C  
ATOM   1003  C   GLU A 129       1.006   7.311   8.622  1.00 22.04           C  
ATOM   1004  O   GLU A 129       0.487   8.413   8.830  1.00 21.71           O  
ATOM   1005  CB  GLU A 129      -0.597   6.390   6.938  1.00 22.31           C  
ATOM   1006  CG  GLU A 129      -1.500   5.271   6.567  1.00 24.82           C  
ATOM   1007  CD  GLU A 129      -2.303   5.559   5.306  1.00 27.27           C  
ATOM   1008  OE1 GLU A 129      -3.532   5.779   5.432  1.00 27.92           O  
ATOM   1009  OE2 GLU A 129      -1.694   5.570   4.216  1.00 26.46           O  
ATOM   1010  N   LEU A 130       2.317   7.091   8.732  1.00 22.39           N  
ATOM   1011  CA  LEU A 130       3.258   8.137   9.145  1.00 23.65           C  
ATOM   1012  C   LEU A 130       4.591   7.818   8.507  1.00 22.23           C  
ATOM   1013  O   LEU A 130       4.864   6.663   8.242  1.00 21.98           O  
ATOM   1014  CB  LEU A 130       3.498   8.106  10.667  1.00 25.38           C  
ATOM   1015  CG  LEU A 130       2.441   8.230  11.753  1.00 28.39           C  
ATOM   1016  CD1 LEU A 130       3.150   8.148  13.043  1.00 28.63           C  
ATOM   1017  CD2 LEU A 130       1.692   9.557  11.641  1.00 33.20           C  
ATOM   1018  N   SER A 131       5.426   8.815   8.254  1.00 22.21           N  
ATOM   1019  CA  SER A 131       6.778   8.506   7.732  1.00 22.96           C  
ATOM   1020  C   SER A 131       7.791   9.091   8.664  1.00 22.09           C  
ATOM   1021  O   SER A 131       7.469  10.043   9.391  1.00 22.08           O  
ATOM   1022  CB  SER A 131       6.991   9.030   6.310  1.00 23.76           C  
ATOM   1023  OG  SER A 131       7.046  10.447   6.361  1.00 30.09           O  
ATOM   1024  N   ARG A 132       9.001   8.504   8.678  1.00 21.70           N  
ATOM   1025  CA  ARG A 132      10.024   8.844   9.661  1.00 22.90           C  
ATOM   1026  C   ARG A 132      11.382   8.715   8.972  1.00 22.98           C  
ATOM   1027  O   ARG A 132      11.544   7.846   8.120  1.00 23.20           O  
ATOM   1028  CB  ARG A 132       9.907   7.947  10.938  1.00 22.77           C  
ATOM   1029  CG  ARG A 132       8.555   8.129  11.683  1.00 26.44           C  
ATOM   1030  CD  ARG A 132       8.657   8.561  13.134  1.00 28.05           C  
ATOM   1031  NE  ARG A 132       7.390   9.068  13.672  1.00 29.84           N  
ATOM   1032  CZ  ARG A 132       6.920   8.786  14.899  1.00 31.87           C  
ATOM   1033  NH1 ARG A 132       7.566   7.959  15.723  1.00 32.25           N  
ATOM   1034  NH2 ARG A 132       5.764   9.300  15.307  1.00 33.51           N  
ATOM   1035  N   SER A 133      12.318   9.613   9.288  1.00 22.12           N  
ATOM   1036  CA  SER A 133      13.703   9.531   8.766  1.00 22.93           C  
ATOM   1037  C   SER A 133      14.701   9.449   9.856  1.00 22.11           C  
ATOM   1038  O   SER A 133      14.483  10.020  10.908  1.00 21.92           O  
ATOM   1039  CB  SER A 133      14.041  10.735   7.930  1.00 23.07           C  
ATOM   1040  OG  SER A 133      13.217  10.657   6.800  1.00 27.81           O  
ATOM   1041  N   PHE A 134      15.810   8.765   9.600  1.00 21.86           N  
ATOM   1042  CA  PHE A 134      16.866   8.625  10.597  1.00 22.72           C  
ATOM   1043  C   PHE A 134      18.177   8.753   9.896  1.00 23.35           C  
ATOM   1044  O   PHE A 134      18.279   8.420   8.728  1.00 24.13           O  
ATOM   1045  CB  PHE A 134      16.742   7.280  11.350  1.00 21.84           C  
ATOM   1046  CG  PHE A 134      15.396   7.092  11.990  1.00 21.90           C  
ATOM   1047  CD1 PHE A 134      15.154   7.592  13.265  1.00 19.64           C  
ATOM   1048  CD2 PHE A 134      14.355   6.491  11.303  1.00 18.88           C  
ATOM   1049  CE1 PHE A 134      13.913   7.490  13.845  1.00 21.75           C  
ATOM   1050  CE2 PHE A 134      13.109   6.396  11.877  1.00 18.59           C  
ATOM   1051  CZ  PHE A 134      12.882   6.882  13.158  1.00 18.97           C  
ATOM   1052  N   THR A 135      19.174   9.287  10.590  1.00 25.11           N  
ATOM   1053  CA  THR A 135      20.449   9.589   9.991  1.00 27.45           C  
ATOM   1054  C   THR A 135      21.457   9.503  11.121  1.00 28.74           C  
ATOM   1055  O   THR A 135      21.090   9.286  12.294  1.00 28.53           O  
ATOM   1056  CB  THR A 135      20.490  11.077   9.486  1.00 28.38           C  
ATOM   1057  OG1 THR A 135      20.343  11.961  10.619  1.00 31.01           O  
ATOM   1058  CG2 THR A 135      19.393  11.402   8.458  1.00 28.27           C  
ATOM   1059  N   GLU A 136      22.725   9.692  10.772  1.00 30.33           N  
ATOM   1060  CA  GLU A 136      23.791   9.842  11.763  1.00 33.00           C  
ATOM   1061  C   GLU A 136      24.894  10.750  11.222  1.00 34.89           C  
ATOM   1062  O   GLU A 136      24.855  11.208  10.059  1.00 36.00           O  
ATOM   1063  CB  GLU A 136      24.383   8.489  12.095  1.00 32.84           C  
ATOM   1064  CG  GLU A 136      25.076   7.838  10.916  1.00 31.89           C  
ATOM   1065  CD  GLU A 136      25.377   6.401  11.238  1.00 35.09           C  
ATOM   1066  OE1 GLU A 136      24.440   5.599  11.277  1.00 31.30           O  
ATOM   1067  OE2 GLU A 136      26.545   6.090  11.499  1.00 36.92           O  
ATOM   1068  OXT GLU A 136      25.871  10.999  11.942  1.00 36.90           O  
TER    1069      GLU A 136                                                      
HETATM 1070  O5' A3S A 500      15.309  -2.473  -5.832  1.00 23.59           O  
HETATM 1071  C5' A3S A 500      14.951  -3.842  -6.055  1.00 22.10           C  
HETATM 1072  C4' A3S A 500      14.770  -4.529  -4.739  1.00 20.87           C  
HETATM 1073  O4' A3S A 500      16.029  -4.460  -4.016  1.00 22.14           O  
HETATM 1074  C1' A3S A 500      15.731  -3.927  -2.691  1.00 19.29           C  
HETATM 1075  N9  A3S A 500      16.516  -2.630  -2.522  1.00 19.82           N  
HETATM 1076  C4  A3S A 500      16.374  -1.793  -1.492  1.00 20.70           C  
HETATM 1077  N3  A3S A 500      15.547  -1.814  -0.437  1.00 20.75           N  
HETATM 1078  C2  A3S A 500      15.634  -0.838   0.474  1.00 20.28           C  
HETATM 1079  N1  A3S A 500      16.537   0.120   0.350  1.00 19.99           N  
HETATM 1080  C6  A3S A 500      17.392   0.208  -0.690  1.00 19.93           C  
HETATM 1081  N6  A3S A 500      18.280   1.209  -0.787  1.00 21.54           N  
HETATM 1082  C5  A3S A 500      17.315  -0.793  -1.649  1.00 21.16           C  
HETATM 1083  N7  A3S A 500      17.969  -1.029  -2.794  1.00 20.99           N  
HETATM 1084  C8  A3S A 500      17.502  -2.169  -3.327  1.00 20.40           C  
HETATM 1085  C2' A3S A 500      14.221  -4.000  -2.501  1.00 20.08           C  
HETATM 1086  O2' A3S A 500      13.833  -5.299  -2.072  1.00 22.66           O  
HETATM 1087  C3' A3S A 500      13.759  -3.732  -3.927  1.00 21.34           C  
HETATM 1088  N8  A3S A 500      12.430  -4.255  -4.093  1.00 21.78           N  
HETATM 1089  N   A3S A 500       9.094  -3.960  -2.950  1.00 23.21           N  
HETATM 1090  CA  A3S A 500      10.042  -4.195  -4.081  1.00 23.37           C  
HETATM 1091  CB  A3S A 500       9.397  -3.748  -5.418  1.00 24.27           C  
HETATM 1092  OG  A3S A 500       8.333  -4.681  -5.763  1.00 26.19           O  
HETATM 1093  C   A3S A 500      11.376  -3.509  -3.896  1.00 22.56           C  
HETATM 1094  O   A3S A 500      11.466  -2.184  -3.612  1.00 22.85           O  
HETATM 1095  O   HOH A 601       6.540  -4.539  -2.967  1.00 25.19           O  
HETATM 1096  O   HOH A 602       2.341 -12.183  13.790  1.00 26.25           O  
HETATM 1097  O   HOH A 603      11.312  -5.783  -1.328  1.00 29.26           O  
HETATM 1098  O   HOH A 604      12.575  -8.297  -2.327  1.00 27.13           O  
HETATM 1099  O   HOH A 605      30.232   3.195  -6.684  1.00 31.51           O  
HETATM 1100  O   HOH A 606      12.473 -12.192   9.883  1.00 30.24           O  
HETATM 1101  O   HOH A 607      14.905   6.513  18.048  1.00 25.55           O  
HETATM 1102  O   HOH A 608      11.101 -13.768  12.366  1.00 23.45           O  
HETATM 1103  O   HOH A 609       8.315  -9.626 -11.171  1.00 28.21           O  
HETATM 1104  O   HOH A 610       1.472   3.804  11.519  1.00 24.64           O  
HETATM 1105  O   HOH A 611      -2.167   8.963   9.084  1.00 27.24           O  
HETATM 1106  O   HOH A 612      14.450   5.413  -5.183  1.00 26.59           O  
HETATM 1107  O   HOH A 613      17.669 -11.191  14.039  1.00 29.05           O  
HETATM 1108  O   HOH A 614       6.345   6.652  19.036  1.00 31.32           O  
HETATM 1109  O   HOH A 615      -0.117 -11.726  12.506  1.00 32.34           O  
HETATM 1110  O   HOH A 616      20.250   0.175  -3.992  1.00 32.74           O  
HETATM 1111  O   HOH A 617      13.072  10.632  13.197  1.00 23.28           O  
HETATM 1112  O   HOH A 618      10.050 -15.347  -6.357  1.00 28.68           O  
HETATM 1113  O   HOH A 619       0.537  -9.806  16.597  1.00 28.65           O  
HETATM 1114  O   HOH A 620      24.499   2.098   4.485  1.00 31.22           O  
HETATM 1115  O   HOH A 621      28.291   7.956  -2.244  1.00 38.46           O  
HETATM 1116  O   HOH A 622      12.900 -11.457  18.825  1.00 24.77           O  
HETATM 1117  O   HOH A 623       3.418 -21.009  -2.312  1.00 27.61           O  
HETATM 1118  O   HOH A 624      18.948  14.787   5.942  1.00 27.40           O  
HETATM 1119  O   HOH A 625      15.347  12.187  -1.452  1.00 35.26           O  
HETATM 1120  O   HOH A 626      -5.066  -9.792  13.756  1.00 38.32           O  
HETATM 1121  O   HOH A 627      11.149  -9.421  19.007  1.00 29.28           O  
HETATM 1122  O   HOH A 628      30.597   1.194  -2.196  1.00 35.72           O  
HETATM 1123  O   HOH A 629      -3.841 -10.227   3.261  1.00 46.87           O  
HETATM 1124  O   HOH A 630      17.908  -1.731  -7.169  1.00 35.66           O  
HETATM 1125  O   HOH A 631      11.226  -2.267  -7.354  1.00 32.25           O  
HETATM 1126  O   HOH A 632      18.955  -8.985  18.328  1.00 41.82           O  
HETATM 1127  O   HOH A 633       7.526  -2.195  21.548  1.00 31.16           O  
HETATM 1128  O   HOH A 634      21.644   8.551   6.273  1.00 30.60           O  
HETATM 1129  O   HOH A 635      21.786   9.989   2.717  1.00 37.52           O  
HETATM 1130  O   HOH A 636      25.777   2.932  -0.495  1.00 30.22           O  
HETATM 1131  O   HOH A 637      19.649  -9.625  11.952  1.00 41.26           O  
HETATM 1132  O   HOH A 638      26.117  -5.936  10.005  1.00 40.42           O  
HETATM 1133  O   HOH A 639      -4.868   5.009   7.044  1.00 19.08           O  
HETATM 1134  O   HOH A 640       8.210   8.415   2.697  1.00 28.38           O  
HETATM 1135  O   HOH A 641      27.611   3.205   6.690  1.00 41.25           O  
HETATM 1136  O   HOH A 642      20.171   9.966   4.699  1.00 32.96           O  
HETATM 1137  O   HOH A 643      23.256  -8.915  -7.698  1.00 45.22           O  
HETATM 1138  O   HOH A 644      21.896  -6.283  -9.505  1.00 45.08           O  
HETATM 1139  O   HOH A 645      -0.457  -6.480  16.248  1.00 37.85           O  
HETATM 1140  O   HOH A 646      26.219   9.258   7.822  1.00 36.34           O  
HETATM 1141  O   HOH A 647      27.952  -2.001  10.594  1.00 43.95           O  
HETATM 1142  O   HOH A 648      11.928  -0.507  23.716  1.00 43.15           O  
HETATM 1143  O   HOH A 649       2.161 -12.703  -7.325  1.00 38.61           O  
HETATM 1144  O   HOH A 650       5.589 -18.134  -2.796  1.00 44.53           O  
HETATM 1145  O   HOH A 651      -3.543  -2.080  18.201  1.00 46.92           O  
HETATM 1146  O   HOH A 652      28.340  -1.127   4.551  1.00 49.62           O  
HETATM 1147  O   HOH A 653       0.663 -10.668  -3.256  1.00 36.75           O  
HETATM 1148  O   HOH A 654      11.967   2.119  22.201  1.00 42.42           O  
HETATM 1149  O   HOH A 655      -3.083 -11.737   5.747  1.00 45.73           O  
HETATM 1150  O   HOH A 656      -1.191  -9.789  14.578  1.00 35.97           O  
HETATM 1151  O   HOH A 657      -3.349 -14.886   7.421  1.00 50.80           O  
HETATM 1152  O   HOH A 658       0.346   0.644  25.215  1.00 44.67           O  
HETATM 1153  O   HOH A 659      27.657  12.811  10.289  1.00 64.89           O  
HETATM 1154  O   HOH A 660       6.572 -10.542 -13.447  1.00 25.78           O  
HETATM 1155  O   HOH A 661       8.984 -14.220  10.693  1.00 22.12           O  
HETATM 1156  O   HOH A 662       6.732 -17.328  -4.831  1.00 42.65           O  
HETATM 1157  O   HOH A 663      11.314   4.435  -7.591  1.00 28.35           O  
HETATM 1158  O   HOH A 664      17.563  -9.968  20.489  1.00 34.63           O  
HETATM 1159  O   HOH A 665      16.654   6.723  20.558  1.00 29.59           O  
HETATM 1160  O   HOH A 666      12.182   6.967  19.858  1.00 44.70           O  
HETATM 1161  O   HOH A 667       0.234 -13.001  -1.512  1.00 57.53           O  
HETATM 1162  O   HOH A 668       9.428 -14.703   2.853  1.00 32.78           O  
HETATM 1163  O   HOH A 669      22.042  -4.878  15.070  1.00 36.26           O  
HETATM 1164  O   HOH A 670      -6.633  -5.458  13.951  1.00 43.14           O  
HETATM 1165  O   HOH A 671      13.114 -14.467   8.120  1.00 49.85           O  
HETATM 1166  O   HOH A 672      20.885  12.714   5.867  1.00 50.25           O  
HETATM 1167  O   HOH A 673      13.934  -1.610  -8.224  1.00 34.39           O  
HETATM 1168  O   HOH A 674       5.736  -3.243  22.864  1.00 38.92           O  
HETATM 1169  O   HOH A 675      13.822  12.093   4.459  1.00 42.39           O  
HETATM 1170  O   HOH A 676      21.975   5.234  17.758  1.00 38.62           O  
HETATM 1171  O   HOH A 677       3.388   7.320  17.156  1.00 41.78           O  
HETATM 1172  O   HOH A 678      20.531   1.227  -6.187  1.00 39.20           O  
HETATM 1173  O   HOH A 679      -5.562  -4.704  18.632  1.00 47.34           O  
HETATM 1174  O   HOH A 680      15.521  10.366   5.080  1.00 41.28           O  
HETATM 1175  O   HOH A 681      11.904 -13.401   5.344  1.00 46.25           O  
HETATM 1176  O   HOH A 682      24.030 -12.112  -3.527  1.00 52.60           O  
HETATM 1177  O   HOH A 683       8.402  12.722   7.135  1.00 32.79           O  
HETATM 1178  O   HOH A 684      -0.918  12.289  12.417  1.00 42.93           O  
HETATM 1179  O   HOH A 685      -6.835  -7.929  11.504  1.00 53.82           O  
HETATM 1180  O   HOH A 686      11.647 -17.686  -7.162  1.00 33.86           O  
HETATM 1181  O   HOH A 687       2.000  -2.244  24.011  1.00 47.26           O  
HETATM 1182  O   HOH A 688      27.900   4.268  -8.162  1.00 47.62           O  
HETATM 1183  O   HOH A 689      27.223  -1.336  -1.000  1.00 43.45           O  
HETATM 1184  O   HOH A 690      13.561 -15.558   2.036  1.00 55.79           O  
HETATM 1185  O   HOH A 691      24.377  -6.988   8.597  1.00 51.14           O  
HETATM 1186  O   HOH A 692      25.852 -10.627  -8.188  1.00 53.41           O  
HETATM 1187  O   HOH A 693      -1.100  11.820  19.655  1.00 45.16           O  
HETATM 1188  O   HOH A 694       9.595   1.518  23.108  1.00 43.84           O  
HETATM 1189  O   HOH A 695       2.846 -11.015  -9.610  1.00 38.82           O  
HETATM 1190  O   HOH A 696      13.278  -9.689 -13.305  1.00 45.27           O  
HETATM 1191  O   HOH A 697       5.643   4.492  23.246  1.00 46.57           O  
HETATM 1192  O   HOH A 698       0.230 -11.055  20.821  1.00 45.42           O  
HETATM 1193  O   HOH A 699      28.755  14.086   7.604  1.00 48.02           O  
HETATM 1194  O   HOH A 700      28.019   5.659   6.982  1.00 50.85           O  
HETATM 1195  O   HOH A 701      26.455  10.606  14.780  1.00 44.38           O  
HETATM 1196  O   HOH A 702      20.089 -16.273  -2.510  1.00 63.61           O  
HETATM 1197  O   HOH A 703      12.576 -20.319  -0.696  1.00 47.05           O  
HETATM 1198  O   HOH A 704      -5.564  -2.371  19.804  1.00 70.94           O  
HETATM 1199  O   HOH A 705      15.121 -13.622   9.503  1.00 57.73           O  
HETATM 1200  O   HOH A 706      -0.901 -16.284   8.036  1.00 60.87           O  
HETATM 1201  O   HOH A 707       8.852  -1.715  23.590  1.00 49.66           O  
HETATM 1202  O   HOH A 708       3.667  -4.288  21.576  1.00 47.41           O  
HETATM 1203  O   HOH A 709      19.323  -1.156  -9.073  1.00 64.53           O  
HETATM 1204  O   HOH A 710      17.160   0.755  -7.662  1.00 54.29           O  
HETATM 1205  O   HOH A 711      14.774 -13.733   3.779  1.00 32.64           O  
HETATM 1206  O   HOH A 712       7.499  -9.293 -16.128  1.00 36.67           O  
HETATM 1207  O   HOH A 713       8.698 -18.836  -3.496  1.00 45.92           O  
HETATM 1208  O   HOH A 714      25.439  -8.869   6.834  1.00 53.30           O  
HETATM 1209  O   HOH A 715      27.339   4.404  12.994  1.00 46.37           O  
HETATM 1210  O   HOH A 716      14.860   1.689  -8.589  1.00 56.87           O  
HETATM 1211  O   HOH A 717       1.147  12.718  11.060  1.00 47.60           O  
HETATM 1212  O   HOH A 718      14.968  11.170   2.168  1.00 57.68           O  
HETATM 1213  O   HOH A 719       0.642  -9.649  -9.802  1.00 45.09           O  
HETATM 1214  O   HOH A 720      28.746  11.109  -2.263  1.00 51.43           O  
HETATM 1215  O   HOH A 721      29.294  -1.096   6.776  1.00 57.75           O  
HETATM 1216  O   HOH A 722      20.996  -1.741 -10.909  1.00 64.52           O  
HETATM 1217  O   HOH A 723      13.806  -0.414  25.295  1.00 48.89           O  
HETATM 1218  O   HOH A 724      -3.144  -5.112  19.170  1.00 63.21           O  
HETATM 1219  O   HOH A 725       1.752 -14.057   0.257  1.00 48.03           O  
HETATM 1220  O   HOH A 726      -5.700 -12.132  -0.461  1.00 62.32           O  
HETATM 1221  O   HOH A 727      -9.372  -5.988   2.370  1.00 54.92           O  
HETATM 1222  O   HOH A 728      21.919 -14.179 -12.775  1.00 57.42           O  
HETATM 1223  O   HOH A 729      25.509  -6.851   2.308  1.00 47.85           O  
HETATM 1224  O   HOH A 730      24.091  -8.148  11.330  1.00 54.75           O  
HETATM 1225  O   HOH A 731      -7.641  -3.752  20.749  1.00 51.80           O  
HETATM 1226  O   HOH A 732       4.330   6.710  24.181  1.00 47.35           O  
HETATM 1227  O   HOH A 733      -8.373  -5.403  18.909  1.00 58.77           O  
HETATM 1228  O   HOH A 734      -4.845   6.596  17.044  1.00 46.08           O  
HETATM 1229  O   HOH A 735      24.283  -8.335   4.556  1.00 50.18           O  
HETATM 1230  O   HOH A 736      -1.541  -0.789  25.325  1.00 52.41           O  
HETATM 1231  O   HOH A 737      24.779   4.959  17.710  1.00 57.30           O  
HETATM 1232  O   HOH A 738      20.325  -0.471 -13.551  1.00 55.81           O  
HETATM 1233  O   HOH A 739       8.376   3.481  24.850  1.00 51.43           O  
HETATM 1234  O   HOH A 740      17.177 -14.512   4.907  1.00 54.27           O  
HETATM 1235  O   HOH A 741      20.624 -17.417  -0.222  1.00 56.43           O  
HETATM 1236  O   HOH A 742      18.007  -3.686  -9.805  1.00 51.23           O  
HETATM 1237  O   HOH A 743      -6.302  -0.610  16.026  1.00 59.38           O  
HETATM 1238  O   HOH A 744      11.674  11.674   0.000  0.50 43.18           O  
HETATM 1239  O   HOH A 745      -8.610   2.000  12.799  1.00 24.40           O  
HETATM 1240  O   HOH A 746      11.871 -15.148 -13.166  1.00 45.00           O  
HETATM 1241  O   HOH A 747       7.009 -13.865 -13.818  1.00 50.81           O  
HETATM 1242  O   HOH A 748      23.973  -7.989  -1.807  1.00 39.44           O  
HETATM 1243  O   HOH A 749      18.096  -7.176 -12.856  1.00 53.60           O  
HETATM 1244  O   HOH A 750       8.848   8.844   0.003  0.50 23.59           O  
HETATM 1245  O   HOH A 751      26.166  -3.100  -4.046  1.00 28.95           O  
HETATM 1246  O   HOH A 752      -9.419  -5.987   7.067  1.00 50.68           O  
HETATM 1247  O   HOH A 753      -2.926   6.305  19.847  1.00 45.59           O  
CONECT 1070 1071                                                                
CONECT 1071 1070 1072                                                           
CONECT 1072 1071 1073 1087                                                      
CONECT 1073 1072 1074                                                           
CONECT 1074 1073 1075 1085                                                      
CONECT 1075 1074 1076 1084                                                      
CONECT 1076 1075 1077 1082                                                      
CONECT 1077 1076 1078                                                           
CONECT 1078 1077 1079                                                           
CONECT 1079 1078 1080                                                           
CONECT 1080 1079 1081 1082                                                      
CONECT 1081 1080                                                                
CONECT 1082 1076 1080 1083                                                      
CONECT 1083 1082 1084                                                           
CONECT 1084 1075 1083                                                           
CONECT 1085 1074 1086 1087                                                      
CONECT 1086 1085                                                                
CONECT 1087 1072 1085 1088                                                      
CONECT 1088 1087 1093                                                           
CONECT 1089 1090                                                                
CONECT 1090 1089 1091 1093                                                      
CONECT 1091 1090 1092                                                           
CONECT 1092 1091                                                                
CONECT 1093 1088 1090 1094                                                      
CONECT 1094 1093                                                                
MASTER      336    0    1    2    8    0    6    6 1246    1   25   11          
END                                                                             
