CNRS Nantes University UFIP UFIP
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***  crp3/2/2021  ***

elNémo ID: 21030302330584163

Job options:

ID        	=	 21030302330584163
JOBID     	=	 crp3/2/2021
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 0
CAONLY    	=	 0


Input data for this run:

HEADER crp3/2/2021

HEADER    HYDROLASE                               03-APR-03   1OXR              
TITLE     ASPIRIN INDUCES ITS ANTI-INFLAMMATORY EFFECTS THROUGH ITS SPECIFIC    
TITLE    2 BINDING TO PHOSPHOLIPASE A2: CRYSTAL STRUCTURE OF THE COMPLEX FORMED 
TITLE    3 BETWEEN PHOSPHOLIPASE A2 AND ASPIRIN AT 1.9A RESOLUTION              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PHOSPHOLIPASE A2 ISOFORM 3;                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PHOSPHATIDYLCHOLINE 2-ACYLHYDROLASE;                        
COMPND   5 EC: 3.1.1.4                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: NAJA SAGITTIFERA;                               
SOURCE   3 ORGANISM_TAXID: 195058;                                              
SOURCE   4 SECRETION: VENOM                                                     
KEYWDS    O-ACETYL-OXY PHENOL, COMPLEX, PLA2, NAJA NAJA SAGITTIFERA, HYDROLASE  
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.K.SINGH,A.S.ETHAYATHULLA,T.JABEEN,S.SHARMA,P.KAUR,A.SRINIVASAN,     
AUTHOR   2 T.P.SINGH                                                            
REVDAT   4   11-OCT-17 1OXR    1       REMARK                                   
REVDAT   3   24-FEB-09 1OXR    1       VERSN                                    
REVDAT   2   10-MAY-05 1OXR    1       JRNL                                     
REVDAT   1   27-APR-04 1OXR    0                                                
JRNL        AUTH   R.K.SINGH,A.S.ETHAYATHULLA,T.JABEEN,S.SHARMA,P.KAUR,         
JRNL        AUTH 2 T.P.SINGH                                                    
JRNL        TITL   ASPIRIN INDUCES ITS ANTI-INFLAMMATORY EFFECTS THROUGH ITS    
JRNL        TITL 2 SPECIFIC BINDING TO PHOSPHOLIPASE A2: CRYSTAL STRUCTURE OF   
JRNL        TITL 3 THE COMPLEX FORMED BETWEEN PHOSPHOLIPASE A2 AND ASPIRIN AT   
JRNL        TITL 4 1.9 ANGSTROMS RESOLUTION.                                    
JRNL        REF    J.DRUG TARGET.                V.  13   113 2005              
JRNL        REFN                   ISSN 1061-186X                               
JRNL        PMID   15823962                                                     
JRNL        DOI    10.1080/10611860400024078                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.93 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.0                                           
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.93                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 19.35                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 7842                           
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) : 0.177                           
REMARK   3   R VALUE            (WORKING SET) : 0.175                           
REMARK   3   FREE R VALUE                     : 0.204                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.900                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 866                             
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) : 1.93                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.98                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 554                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2000                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 60                           
REMARK   3   BIN FREE R VALUE                    : 0.2740                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 913                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 14                                      
REMARK   3   SOLVENT ATOMS            : 105                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 22.10                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 22.28                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.20000                                              
REMARK   3    B22 (A**2) : 0.20000                                              
REMARK   3    B33 (A**2) : -0.41000                                             
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): 0.179         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.147         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.128         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.276         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.959                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.943                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   952 ; 0.011 ; 0.021       
REMARK   3   BOND LENGTHS OTHERS               (A):   749 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1292 ; 1.543 ; 1.950       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1758 ; 0.821 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   117 ; 2.958 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   141 ;17.627 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   145 ;17.509 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   131 ; 0.122 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1098 ; 0.005 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   200 ; 0.003 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   228 ; 0.308 ; 0.300       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):   695 ; 0.203 ; 0.300       
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):    59 ; 0.145 ; 0.500       
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):    12 ; 0.206 ; 0.300       
REMARK   3   SYMMETRY VDW OTHERS               (A):    25 ; 0.292 ; 0.300       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    12 ; 0.107 ; 0.500       
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):   588 ; 0.832 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   934 ; 1.635 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   364 ; 2.413 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   358 ; 3.767 ; 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 : BABINET MODEL WITH 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 1OXR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-APR-03.                  
REMARK 100 THE DEPOSITION ID IS D_1000018779.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 19-FEB-03                          
REMARK 200  TEMPERATURE           (KELVIN) : 290                                
REMARK 200  PH                             : 6.0                                
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 RU300                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : MIRROR                             
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MAR                                
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 8708                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.900                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 20.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 97.1                               
REMARK 200  DATA REDUNDANCY                : 7.800                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.09900                            
REMARK 200   FOR THE DATA SET  : 16.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.95                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 75.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.22300                            
REMARK 200   FOR SHELL         : 2.100                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: AMORE                                                 
REMARK 200 STARTING MODEL: PDB ENTRY 1LFF                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.30                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 10MM SODIUM PHOSPHATE BUFFER, 2MM        
REMARK 280  CALCIUN CHLORIDE, 35% ETHANOL, PH 6.0, VAPOR DIFFUSION, HANGING     
REMARK 280  DROP, TEMPERATURE 293K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41                             
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,X,Z+1/4                                              
REMARK 290       4555   Y,-X,Z+3/4                                              
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       32.56850            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       16.28425            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       48.85275            
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 300 REMARK: THE BIOLOGICAL UNIT IS A MONOMER                             
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
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   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    SER A  15   C     ARG A  17   N       0.207                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    ASP A  24   CB  -  CG  -  OD2 ANGL. DEV. =   6.5 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    ASP A  24       74.47   -153.50                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A 201  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLY A  30   O                                                      
REMARK 620 2 TYR A  28   O    89.6                                              
REMARK 620 3 GLY A  32   O    85.0  78.6                                        
REMARK 620 4 ASP A  49   OD1 139.1  95.0 135.7                                  
REMARK 620 5 ASP A  49   OD2 168.1  80.1  87.1  48.8                            
REMARK 620 6 AIN A 141   O1   75.3  74.7 146.6  66.9 107.3                      
REMARK 620 7 HOH A 232   O    91.8 154.0  75.7 100.9  94.9 130.7                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE AIN A 141                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 201                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1LFF   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF AN ACIDIC PHOSPHOLIPASE A2 FROM NAJA NAJA       
REMARK 900 SAGITTIFERA AT 1.5 A RESOLUTION                                      
REMARK 900 RELATED ID: 1LN8   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF A NEW ISOFORM OF PHOSPHOLIPASE A2 FROM NAJA     
REMARK 900 NAJA SAGITTIFERA AT 1.6 A RESOLUTION                                 
DBREF  1OXR A    1   119  UNP    P60045   PA23_NAJSG       8    126             
SEQRES   1 A  119  ASN LEU TYR GLN PHE LYS ASN MET ILE GLN CYS THR VAL          
SEQRES   2 A  119  PRO SER ARG SER TRP GLN ASP PHE ALA ASP TYR GLY CYS          
SEQRES   3 A  119  TYR CYS GLY LYS GLY GLY SER GLY THR PRO VAL ASP ASP          
SEQRES   4 A  119  LEU ASP ARG CYS CYS GLN VAL HIS ASP ASN CYS TYR ASN          
SEQRES   5 A  119  GLU ALA GLU ASN ILE SER GLY CYS ARG PRO TYR PHE LYS          
SEQRES   6 A  119  THR TYR SER TYR GLU CYS THR GLN GLY THR LEU THR CYS          
SEQRES   7 A  119  LYS GLY ASP ASN ASN ALA CYS ALA ALA SER VAL CYS ASP          
SEQRES   8 A  119  CYS ASP ARG LEU ALA ALA ILE CYS PHE ALA GLY ALA PRO          
SEQRES   9 A  119  TYR ASN ASP ALA ASN TYR ASN ILE ASP LEU LYS ALA ARG          
SEQRES  10 A  119  CYS ASN                                                      
HET    AIN  A 141      13                                                       
HET     CA  A 201       1                                                       
HETNAM     AIN 2-(ACETYLOXY)BENZOIC ACID                                        
HETNAM      CA CALCIUM ION                                                      
HETSYN     AIN ACETYLSALICYLIC ACID, ASPIRIN                                    
FORMUL   2  AIN    C9 H8 O4                                                     
FORMUL   3   CA    CA 2+                                                        
FORMUL   4  HOH   *105(H2 O)                                                    
HELIX    1   1 ASN A    1  VAL A   13  1                                  13    
HELIX    2   2 SER A   18  PHE A   22  5                                   5    
HELIX    3   3 ASP A   39  GLU A   56  1                                  18    
HELIX    4   4 ASN A   84  ALA A  104  1                                  21    
HELIX    5   5 ASN A  107  TYR A  111  5                                   5    
HELIX    6   6 ASP A  114  CYS A  119  1                                   6    
SHEET    1   A 2 ASP A  24  TYR A  25  0                                        
SHEET    2   A 2 CYS A  29  GLY A  30 -1  O  CYS A  29   N  TYR A  25           
SHEET    1   B 2 TYR A  70  THR A  73  0                                        
SHEET    2   B 2 THR A  76  CYS A  79 -1  O  THR A  78   N  GLU A  71           
SSBOND   1 CYS A   11    CYS A   72                          1555   1555  1.97  
SSBOND   2 CYS A   27    CYS A  119                          1555   1555  2.01  
SSBOND   3 CYS A   29    CYS A   45                          1555   1555  2.04  
SSBOND   4 CYS A   44    CYS A  100                          1555   1555  2.01  
SSBOND   5 CYS A   51    CYS A   93                          1555   1555  2.01  
SSBOND   6 CYS A   61    CYS A   86                          1555   1555  2.00  
SSBOND   7 CYS A   79    CYS A   91                          1555   1555  1.99  
LINK        CA    CA A 201                 O   GLY A  30     1555   1555  2.46  
LINK        CA    CA A 201                 O   TYR A  28     1555   1555  2.46  
LINK        CA    CA A 201                 O   GLY A  32     1555   1555  2.52  
LINK        CA    CA A 201                 OD1 ASP A  49     1555   1555  2.69  
LINK        CA    CA A 201                 OD2 ASP A  49     1555   1555  2.52  
LINK        CA    CA A 201                 O1  AIN A 141     1555   1555  2.83  
LINK        CA    CA A 201                 O   HOH A 232     1555   1555  2.82  
SITE     1 AC1  9 LEU A   2  PHE A  22  TYR A  28  GLY A  30                    
SITE     2 AC1  9 LYS A  31  ASP A  49  TYR A  64   CA A 201                    
SITE     3 AC1  9 HOH A 252                                                     
SITE     1 AC2  6 TYR A  28  GLY A  30  GLY A  32  ASP A  49                    
SITE     2 AC2  6 AIN A 141  HOH A 232                                          
CRYST1   42.627   42.627   65.137  90.00  90.00  90.00 P 41          4          
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      0.023459  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.023459  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015352        0.00000                         
ATOM      1  N   ASN A   1       7.648  22.502   9.899  1.00 15.18           N  
ATOM      2  CA  ASN A   1       8.189  21.131  10.221  1.00 16.24           C  
ATOM      3  C   ASN A   1       7.733  20.099   9.194  1.00 16.63           C  
ATOM      4  O   ASN A   1       6.870  20.392   8.351  1.00 16.13           O  
ATOM      5  CB  ASN A   1       7.863  20.711  11.663  1.00 16.53           C  
ATOM      6  CG  ASN A   1       6.383  20.519  11.907  1.00 17.88           C  
ATOM      7  OD1 ASN A   1       5.687  19.906  11.093  1.00 20.11           O  
ATOM      8  ND2 ASN A   1       5.885  21.052  13.041  1.00 18.30           N  
ATOM      9  N   LEU A   2       8.390  18.945   9.156  1.00 17.17           N  
ATOM     10  CA  LEU A   2       8.021  17.909   8.189  1.00 18.23           C  
ATOM     11  C   LEU A   2       6.552  17.516   8.201  1.00 18.03           C  
ATOM     12  O   LEU A   2       6.011  17.195   7.165  1.00 18.57           O  
ATOM     13  CB  LEU A   2       8.918  16.674   8.312  1.00 19.14           C  
ATOM     14  CG  LEU A   2      10.380  16.931   7.922  1.00 22.55           C  
ATOM     15  CD1 LEU A   2      11.140  15.613   7.809  1.00 25.58           C  
ATOM     16  CD2 LEU A   2      10.492  17.704   6.590  1.00 26.07           C  
ATOM     17  N   TYR A   3       5.911  17.518   9.364  1.00 18.34           N  
ATOM     18  CA  TYR A   3       4.480  17.202   9.416  1.00 18.45           C  
ATOM     19  C   TYR A   3       3.689  18.232   8.574  1.00 17.69           C  
ATOM     20  O   TYR A   3       2.761  17.895   7.825  1.00 17.37           O  
ATOM     21  CB  TYR A   3       3.988  17.203  10.863  1.00 18.57           C  
ATOM     22  CG  TYR A   3       2.498  17.086  11.014  1.00 19.71           C  
ATOM     23  CD1 TYR A   3       1.857  15.881  10.824  1.00 22.85           C  
ATOM     24  CD2 TYR A   3       1.729  18.192  11.376  1.00 21.77           C  
ATOM     25  CE1 TYR A   3       0.493  15.776  10.966  1.00 22.59           C  
ATOM     26  CE2 TYR A   3       0.382  18.097  11.518  1.00 19.31           C  
ATOM     27  CZ  TYR A   3      -0.237  16.885  11.316  1.00 22.48           C  
ATOM     28  OH  TYR A   3      -1.602  16.777  11.447  1.00 24.01           O  
ATOM     29  N   GLN A   4       4.068  19.493   8.709  1.00 17.57           N  
ATOM     30  CA  GLN A   4       3.433  20.572   7.968  1.00 17.09           C  
ATOM     31  C   GLN A   4       3.719  20.484   6.481  1.00 16.86           C  
ATOM     32  O   GLN A   4       2.841  20.680   5.671  1.00 17.04           O  
ATOM     33  CB  GLN A   4       3.861  21.933   8.522  1.00 16.97           C  
ATOM     34  CG  GLN A   4       3.466  22.126   9.962  1.00 16.25           C  
ATOM     35  CD  GLN A   4       3.983  23.402  10.524  1.00 17.70           C  
ATOM     36  OE1 GLN A   4       5.205  23.640  10.507  1.00 14.29           O  
ATOM     37  NE2 GLN A   4       3.068  24.252  11.038  1.00 17.39           N  
ATOM     38  N   PHE A   5       4.949  20.173   6.117  1.00 17.55           N  
ATOM     39  CA  PHE A   5       5.310  20.011   4.719  1.00 17.30           C  
ATOM     40  C   PHE A   5       4.439  18.904   4.111  1.00 18.47           C  
ATOM     41  O   PHE A   5       3.909  19.056   2.999  1.00 18.72           O  
ATOM     42  CB  PHE A   5       6.794  19.643   4.613  1.00 16.77           C  
ATOM     43  CG  PHE A   5       7.313  19.591   3.208  1.00 18.29           C  
ATOM     44  CD1 PHE A   5       6.906  20.515   2.267  1.00 18.12           C  
ATOM     45  CD2 PHE A   5       8.231  18.607   2.837  1.00 20.47           C  
ATOM     46  CE1 PHE A   5       7.394  20.482   0.997  1.00 20.18           C  
ATOM     47  CE2 PHE A   5       8.710  18.544   1.559  1.00 20.37           C  
ATOM     48  CZ  PHE A   5       8.291  19.479   0.628  1.00 20.83           C  
ATOM     49  N   LYS A   6       4.291  17.799   4.848  1.00 18.59           N  
ATOM     50  CA  LYS A   6       3.468  16.673   4.396  1.00 20.02           C  
ATOM     51  C   LYS A   6       2.033  17.169   4.100  1.00 19.64           C  
ATOM     52  O   LYS A   6       1.437  16.847   3.076  1.00 19.05           O  
ATOM     53  CB  LYS A   6       3.471  15.590   5.475  1.00 20.33           C  
ATOM     54  CG  LYS A   6       2.505  14.469   5.293  1.00 25.11           C  
ATOM     55  CD  LYS A   6       2.407  13.645   6.566  1.00 29.02           C  
ATOM     56  CE  LYS A   6       1.069  12.927   6.670  1.00 32.96           C  
ATOM     57  NZ  LYS A   6       0.729  12.492   8.061  1.00 34.89           N  
ATOM     58  N   ASN A   7       1.511  17.989   4.994  1.00 19.61           N  
ATOM     59  CA  ASN A   7       0.182  18.549   4.818  1.00 20.55           C  
ATOM     60  C   ASN A   7       0.045  19.484   3.623  1.00 20.31           C  
ATOM     61  O   ASN A   7      -1.000  19.471   2.947  1.00 19.71           O  
ATOM     62  CB  ASN A   7      -0.287  19.190   6.110  1.00 20.74           C  
ATOM     63  CG  ASN A   7      -0.921  18.180   7.029  1.00 22.68           C  
ATOM     64  OD1 ASN A   7      -2.142  17.970   6.977  1.00 22.80           O  
ATOM     65  ND2 ASN A   7      -0.095  17.479   7.821  1.00 20.30           N  
ATOM     66  N   MET A   8       1.097  20.262   3.336  1.00 19.95           N  
ATOM     67  CA  MET A   8       1.129  21.121   2.169  1.00 19.90           C  
ATOM     68  C   MET A   8       1.032  20.251   0.914  1.00 21.11           C  
ATOM     69  O   MET A   8       0.318  20.592  -0.040  1.00 21.41           O  
ATOM     70  CB  MET A   8       2.445  21.926   2.125  1.00 19.37           C  
ATOM     71  CG  MET A   8       2.517  23.090   3.110  1.00 19.15           C  
ATOM     72  SD  MET A   8       3.892  24.187   2.644  1.00 15.84           S  
ATOM     73  CE  MET A   8       3.775  25.490   3.848  1.00 16.97           C  
ATOM     74  N   ILE A   9       1.751  19.130   0.920  1.00 22.00           N  
ATOM     75  CA  ILE A   9       1.750  18.239  -0.225  1.00 23.59           C  
ATOM     76  C   ILE A   9       0.359  17.662  -0.427  1.00 24.91           C  
ATOM     77  O   ILE A   9      -0.130  17.623  -1.550  1.00 24.59           O  
ATOM     78  CB  ILE A   9       2.785  17.156  -0.083  1.00 24.03           C  
ATOM     79  CG1 ILE A   9       4.171  17.786  -0.044  1.00 24.75           C  
ATOM     80  CG2 ILE A   9       2.703  16.175  -1.273  1.00 24.49           C  
ATOM     81  CD1 ILE A   9       5.240  16.779   0.331  1.00 26.28           C  
ATOM     82  N   GLN A  10      -0.261  17.219   0.661  1.00 26.38           N  
ATOM     83  CA  GLN A  10      -1.618  16.657   0.605  1.00 28.37           C  
ATOM     84  C   GLN A  10      -2.604  17.685   0.074  1.00 29.53           C  
ATOM     85  O   GLN A  10      -3.664  17.366  -0.505  1.00 28.90           O  
ATOM     86  CB  GLN A  10      -2.082  16.223   1.993  1.00 28.48           C  
ATOM     87  CG  GLN A  10      -1.389  15.017   2.555  1.00 30.86           C  
ATOM     88  CD  GLN A  10      -1.757  14.800   4.004  1.00 33.48           C  
ATOM     89  OE1 GLN A  10      -2.226  15.722   4.673  1.00 35.41           O  
ATOM     90  NE2 GLN A  10      -1.549  13.586   4.497  1.00 36.29           N  
ATOM     91  N   CYS A  11      -2.250  18.943   0.291  1.00 30.70           N  
ATOM     92  CA  CYS A  11      -3.114  20.027  -0.088  1.00 32.13           C  
ATOM     93  C   CYS A  11      -2.990  20.458  -1.544  1.00 31.40           C  
ATOM     94  O   CYS A  11      -3.978  20.831  -2.165  1.00 31.55           O  
ATOM     95  CB  CYS A  11      -2.826  21.197   0.830  1.00 32.51           C  
ATOM     96  SG  CYS A  11      -4.348  21.982   1.300  1.00 39.51           S  
ATOM     97  N   THR A  12      -1.793  20.388  -2.107  1.00 31.15           N  
ATOM     98  CA  THR A  12      -1.599  20.832  -3.479  1.00 31.32           C  
ATOM     99  C   THR A  12      -1.660  19.666  -4.431  1.00 31.40           C  
ATOM    100  O   THR A  12      -1.911  19.870  -5.606  1.00 30.57           O  
ATOM    101  CB  THR A  12      -0.248  21.530  -3.678  1.00 31.40           C  
ATOM    102  OG1 THR A  12       0.813  20.635  -3.317  1.00 31.73           O  
ATOM    103  CG2 THR A  12      -0.107  22.716  -2.774  1.00 32.07           C  
ATOM    104  N   VAL A  13      -1.422  18.462  -3.921  1.00 31.78           N  
ATOM    105  CA  VAL A  13      -1.443  17.248  -4.738  1.00 33.09           C  
ATOM    106  C   VAL A  13      -2.304  16.177  -4.065  1.00 33.95           C  
ATOM    107  O   VAL A  13      -1.812  15.151  -3.635  1.00 33.26           O  
ATOM    108  CB  VAL A  13      -0.026  16.681  -4.928  1.00 33.08           C  
ATOM    109  CG1 VAL A  13      -0.022  15.568  -5.960  1.00 34.10           C  
ATOM    110  CG2 VAL A  13       0.961  17.788  -5.329  1.00 33.32           C  
ATOM    111  N   PRO A  14      -3.601  16.410  -3.961  1.00 35.93           N  
ATOM    112  CA  PRO A  14      -4.481  15.444  -3.294  1.00 37.17           C  
ATOM    113  C   PRO A  14      -4.667  14.125  -4.062  1.00 38.48           C  
ATOM    114  O   PRO A  14      -5.221  13.187  -3.498  1.00 39.40           O  
ATOM    115  CB  PRO A  14      -5.802  16.209  -3.201  1.00 37.48           C  
ATOM    116  CG  PRO A  14      -5.759  17.116  -4.349  1.00 36.95           C  
ATOM    117  CD  PRO A  14      -4.337  17.608  -4.397  1.00 36.35           C  
ATOM    118  N   SER A  15      -4.194  14.048  -5.301  1.00 39.63           N  
ATOM    119  CA  SER A  15      -4.376  12.857  -6.131  1.00 40.70           C  
ATOM    120  C   SER A  15      -3.302  11.809  -5.903  1.00 41.20           C  
ATOM    121  O   SER A  15      -3.373  10.694  -6.430  1.00 41.93           O  
ATOM    122  CB  SER A  15      -4.375  13.259  -7.603  1.00 40.90           C  
ATOM    123  OG  SER A  15      -3.154  13.891  -7.956  1.00 42.62           O  
ATOM    124  N   ARG A  17      -2.090  12.190  -5.028  1.00 45.76           N  
ATOM    125  CA  ARG A  17      -1.084  11.169  -4.793  1.00 45.77           C  
ATOM    126  C   ARG A  17      -0.854  11.058  -3.310  1.00 45.39           C  
ATOM    127  O   ARG A  17      -1.029  12.030  -2.573  1.00 45.42           O  
ATOM    128  CB  ARG A  17       0.229  11.565  -5.454  1.00 46.17           C  
ATOM    129  CG  ARG A  17       0.185  11.719  -6.943  1.00 47.03           C  
ATOM    130  CD  ARG A  17       1.573  11.715  -7.548  1.00 48.18           C  
ATOM    131  NE  ARG A  17       2.126  10.371  -7.543  1.00 48.96           N  
ATOM    132  CZ  ARG A  17       2.107   9.559  -8.586  1.00 48.68           C  
ATOM    133  NH1 ARG A  17       1.574   9.954  -9.732  1.00 48.62           N  
ATOM    134  NH2 ARG A  17       2.628   8.347  -8.484  1.00 49.65           N  
ATOM    135  N   SER A  18      -0.475   9.871  -2.856  1.00 44.62           N  
ATOM    136  CA  SER A  18      -0.137   9.710  -1.456  1.00 43.88           C  
ATOM    137  C   SER A  18       1.117  10.545  -1.264  1.00 42.88           C  
ATOM    138  O   SER A  18       1.970  10.607  -2.155  1.00 42.47           O  
ATOM    139  CB  SER A  18       0.140   8.253  -1.103  1.00 44.02           C  
ATOM    140  OG  SER A  18      -0.615   7.365  -1.917  1.00 45.99           O  
ATOM    141  N   TRP A  19       1.226  11.194  -0.114  1.00 41.87           N  
ATOM    142  CA  TRP A  19       2.400  11.987   0.193  1.00 41.28           C  
ATOM    143  C   TRP A  19       3.662  11.092   0.077  1.00 39.84           C  
ATOM    144  O   TRP A  19       4.682  11.550  -0.433  1.00 39.27           O  
ATOM    145  CB  TRP A  19       2.267  12.637   1.581  1.00 41.68           C  
ATOM    146  CG  TRP A  19       3.353  12.222   2.536  1.00 44.00           C  
ATOM    147  CD1 TRP A  19       4.647  12.661   2.540  1.00 46.36           C  
ATOM    148  CD2 TRP A  19       3.248  11.293   3.619  1.00 46.31           C  
ATOM    149  NE1 TRP A  19       5.355  12.053   3.547  1.00 47.58           N  
ATOM    150  CE2 TRP A  19       4.517  11.210   4.228  1.00 47.64           C  
ATOM    151  CE3 TRP A  19       2.209  10.517   4.138  1.00 47.12           C  
ATOM    152  CZ2 TRP A  19       4.771  10.391   5.320  1.00 47.67           C  
ATOM    153  CZ3 TRP A  19       2.470   9.703   5.230  1.00 48.18           C  
ATOM    154  CH2 TRP A  19       3.739   9.649   5.804  1.00 47.97           C  
ATOM    155  N   GLN A  20       3.585   9.823   0.518  1.00 38.18           N  
ATOM    156  CA  GLN A  20       4.739   8.899   0.454  1.00 37.27           C  
ATOM    157  C   GLN A  20       5.395   8.835  -0.934  1.00 35.18           C  
ATOM    158  O   GLN A  20       6.577   8.537  -1.046  1.00 34.77           O  
ATOM    159  CB  GLN A  20       4.390   7.434   0.843  1.00 37.92           C  
ATOM    160  CG  GLN A  20       3.096   7.151   1.585  1.00 40.16           C  
ATOM    161  CD  GLN A  20       2.136   6.268   0.779  1.00 43.25           C  
ATOM    162  OE1 GLN A  20       2.553   5.465  -0.078  1.00 45.02           O  
ATOM    163  NE2 GLN A  20       0.851   6.403   1.066  1.00 45.13           N  
ATOM    164  N   ASP A  21       4.624   9.066  -1.988  1.00 33.33           N  
ATOM    165  CA  ASP A  21       5.160   9.009  -3.344  1.00 32.35           C  
ATOM    166  C   ASP A  21       6.309   9.976  -3.551  1.00 31.10           C  
ATOM    167  O   ASP A  21       7.135   9.779  -4.435  1.00 29.97           O  
ATOM    168  CB  ASP A  21       4.080   9.314  -4.361  1.00 32.24           C  
ATOM    169  CG  ASP A  21       3.104   8.160  -4.525  1.00 34.07           C  
ATOM    170  OD1 ASP A  21       3.106   7.248  -3.669  1.00 35.25           O  
ATOM    171  OD2 ASP A  21       2.317   8.083  -5.480  1.00 37.50           O  
ATOM    172  N   PHE A  22       6.339  11.024  -2.739  1.00 29.57           N  
ATOM    173  CA  PHE A  22       7.366  12.047  -2.847  1.00 28.99           C  
ATOM    174  C   PHE A  22       8.453  11.872  -1.804  1.00 28.51           C  
ATOM    175  O   PHE A  22       9.422  12.633  -1.785  1.00 29.14           O  
ATOM    176  CB  PHE A  22       6.738  13.435  -2.692  1.00 28.73           C  
ATOM    177  CG  PHE A  22       5.720  13.756  -3.748  1.00 27.52           C  
ATOM    178  CD1 PHE A  22       6.120  14.145  -5.019  1.00 26.66           C  
ATOM    179  CD2 PHE A  22       4.377  13.658  -3.475  1.00 26.51           C  
ATOM    180  CE1 PHE A  22       5.195  14.442  -5.996  1.00 27.74           C  
ATOM    181  CE2 PHE A  22       3.447  13.953  -4.441  1.00 27.28           C  
ATOM    182  CZ  PHE A  22       3.849  14.344  -5.708  1.00 27.28           C  
ATOM    183  N   ALA A  23       8.307  10.876  -0.945  1.00 27.69           N  
ATOM    184  CA  ALA A  23       9.266  10.685   0.145  1.00 27.39           C  
ATOM    185  C   ALA A  23      10.521   9.904  -0.250  1.00 26.76           C  
ATOM    186  O   ALA A  23      11.454   9.839   0.531  1.00 26.89           O  
ATOM    187  CB  ALA A  23       8.614  10.007   1.314  1.00 27.48           C  
ATOM    188  N   ASP A  24      10.548   9.281  -1.419  1.00 26.43           N  
ATOM    189  CA  ASP A  24      11.754   8.553  -1.851  1.00 25.93           C  
ATOM    190  C   ASP A  24      11.776   8.523  -3.362  1.00 24.36           C  
ATOM    191  O   ASP A  24      11.480   7.501  -3.970  1.00 24.93           O  
ATOM    192  CB  ASP A  24      11.756   7.136  -1.283  1.00 27.07           C  
ATOM    193  CG  ASP A  24      13.011   6.345  -1.652  1.00 28.71           C  
ATOM    194  OD1 ASP A  24      13.035   5.133  -1.368  1.00 34.88           O  
ATOM    195  OD2 ASP A  24      14.017   6.825  -2.209  1.00 31.52           O  
ATOM    196  N   TYR A  25      12.101   9.659  -3.963  1.00 22.50           N  
ATOM    197  CA  TYR A  25      12.059   9.823  -5.407  1.00 21.54           C  
ATOM    198  C   TYR A  25      13.328  10.524  -5.873  1.00 21.08           C  
ATOM    199  O   TYR A  25      13.799  11.472  -5.247  1.00 20.50           O  
ATOM    200  CB  TYR A  25      10.805  10.608  -5.820  1.00 21.25           C  
ATOM    201  CG  TYR A  25      10.582  10.787  -7.317  1.00 21.58           C  
ATOM    202  CD1 TYR A  25      11.306  11.709  -8.046  1.00 20.76           C  
ATOM    203  CD2 TYR A  25       9.592  10.061  -7.982  1.00 22.79           C  
ATOM    204  CE1 TYR A  25      11.075  11.888  -9.404  1.00 22.05           C  
ATOM    205  CE2 TYR A  25       9.350  10.230  -9.322  1.00 20.79           C  
ATOM    206  CZ  TYR A  25      10.095  11.146 -10.038  1.00 22.47           C  
ATOM    207  OH  TYR A  25       9.825  11.333 -11.390  1.00 24.04           O  
ATOM    208  N   GLY A  26      13.897  10.027  -6.962  1.00 20.59           N  
ATOM    209  CA  GLY A  26      15.106  10.615  -7.520  1.00 20.09           C  
ATOM    210  C   GLY A  26      16.269  10.652  -6.537  1.00 19.05           C  
ATOM    211  O   GLY A  26      16.360   9.852  -5.614  1.00 18.85           O  
ATOM    212  N   CYS A  27      17.181  11.579  -6.765  1.00 18.96           N  
ATOM    213  CA  CYS A  27      18.352  11.724  -5.928  1.00 19.43           C  
ATOM    214  C   CYS A  27      18.123  12.690  -4.762  1.00 19.30           C  
ATOM    215  O   CYS A  27      18.839  12.626  -3.793  1.00 19.86           O  
ATOM    216  CB  CYS A  27      19.533  12.242  -6.757  1.00 20.13           C  
ATOM    217  SG  CYS A  27      20.162  11.032  -7.939  1.00 20.77           S  
ATOM    218  N   TYR A  28      17.128  13.563  -4.865  1.00 19.47           N  
ATOM    219  CA  TYR A  28      16.891  14.597  -3.850  1.00 19.55           C  
ATOM    220  C   TYR A  28      15.616  14.494  -3.007  1.00 19.76           C  
ATOM    221  O   TYR A  28      15.587  14.997  -1.874  1.00 20.22           O  
ATOM    222  CB  TYR A  28      16.958  15.977  -4.502  1.00 19.58           C  
ATOM    223  CG  TYR A  28      18.363  16.308  -4.915  1.00 19.03           C  
ATOM    224  CD1 TYR A  28      19.227  16.933  -4.045  1.00 19.86           C  
ATOM    225  CD2 TYR A  28      18.836  15.951  -6.171  1.00 20.24           C  
ATOM    226  CE1 TYR A  28      20.530  17.225  -4.418  1.00 19.61           C  
ATOM    227  CE2 TYR A  28      20.130  16.232  -6.552  1.00 22.60           C  
ATOM    228  CZ  TYR A  28      20.978  16.859  -5.667  1.00 22.10           C  
ATOM    229  OH  TYR A  28      22.267  17.133  -6.041  1.00 22.02           O  
ATOM    230  N   CYS A  29      14.566  13.876  -3.527  1.00 19.63           N  
ATOM    231  CA  CYS A  29      13.327  13.786  -2.770  1.00 20.66           C  
ATOM    232  C   CYS A  29      13.399  12.751  -1.660  1.00 22.68           C  
ATOM    233  O   CYS A  29      13.400  11.541  -1.911  1.00 23.10           O  
ATOM    234  CB  CYS A  29      12.146  13.479  -3.676  1.00 19.80           C  
ATOM    235  SG  CYS A  29      11.958  14.595  -5.038  1.00 18.01           S  
ATOM    236  N   GLY A  30      13.442  13.227  -0.428  1.00 24.71           N  
ATOM    237  CA  GLY A  30      13.565  12.338   0.702  1.00 26.71           C  
ATOM    238  C   GLY A  30      14.968  12.403   1.256  1.00 28.38           C  
ATOM    239  O   GLY A  30      15.618  13.442   1.217  1.00 28.58           O  
ATOM    240  N   LYS A  31      15.434  11.274   1.781  1.00 30.78           N  
ATOM    241  CA  LYS A  31      16.765  11.178   2.372  1.00 32.69           C  
ATOM    242  C   LYS A  31      17.886  11.727   1.501  1.00 33.11           C  
ATOM    243  O   LYS A  31      18.685  12.514   1.968  1.00 34.15           O  
ATOM    244  CB  LYS A  31      17.131   9.710   2.663  1.00 33.13           C  
ATOM    245  CG  LYS A  31      16.409   9.058   3.829  1.00 35.59           C  
ATOM    246  CD  LYS A  31      17.366   8.671   4.957  1.00 37.44           C  
ATOM    247  CE  LYS A  31      16.860   9.170   6.288  1.00 38.47           C  
ATOM    248  NZ  LYS A  31      16.316  10.565   6.196  1.00 41.25           N  
ATOM    249  N   GLY A  32      17.981  11.275   0.255  1.00 33.80           N  
ATOM    250  CA  GLY A  32      19.096  11.653  -0.619  1.00 33.73           C  
ATOM    251  C   GLY A  32      19.284  13.155  -0.776  1.00 33.60           C  
ATOM    252  O   GLY A  32      18.313  13.905  -0.737  1.00 33.60           O  
ATOM    253  N   GLY A  33      20.528  13.600  -0.952  1.00 32.73           N  
ATOM    254  CA  GLY A  33      20.801  15.007  -1.171  1.00 31.97           C  
ATOM    255  C   GLY A  33      22.073  15.284  -1.970  1.00 31.66           C  
ATOM    256  O   GLY A  33      22.832  16.173  -1.621  1.00 31.11           O  
ATOM    257  N   SER A  34      22.291  14.554  -3.064  1.00 31.18           N  
ATOM    258  CA  SER A  34      23.477  14.763  -3.897  1.00 30.85           C  
ATOM    259  C   SER A  34      23.313  14.205  -5.310  1.00 30.16           C  
ATOM    260  O   SER A  34      22.346  13.508  -5.596  1.00 30.03           O  
ATOM    261  CB  SER A  34      24.681  14.109  -3.239  1.00 31.33           C  
ATOM    262  OG  SER A  34      24.523  12.705  -3.237  1.00 32.62           O  
ATOM    263  N   GLY A  35      24.260  14.533  -6.187  1.00 29.20           N  
ATOM    264  CA  GLY A  35      24.268  14.080  -7.567  1.00 28.73           C  
ATOM    265  C   GLY A  35      23.470  14.936  -8.535  1.00 28.23           C  
ATOM    266  O   GLY A  35      23.065  16.058  -8.229  1.00 27.53           O  
ATOM    267  N   THR A  36      23.233  14.390  -9.722  1.00 27.83           N  
ATOM    268  CA  THR A  36      22.469  15.089 -10.738  1.00 27.91           C  
ATOM    269  C   THR A  36      20.980  14.763 -10.605  1.00 26.88           C  
ATOM    270  O   THR A  36      20.611  13.596 -10.544  1.00 26.41           O  
ATOM    271  CB  THR A  36      22.973  14.700 -12.147  1.00 28.61           C  
ATOM    272  OG1 THR A  36      24.127  15.483 -12.481  1.00 30.81           O  
ATOM    273  CG2 THR A  36      21.977  15.077 -13.210  1.00 28.59           C  
ATOM    274  N   PRO A  37      20.131  15.787 -10.524  1.00 25.84           N  
ATOM    275  CA  PRO A  37      18.679  15.570 -10.475  1.00 25.33           C  
ATOM    276  C   PRO A  37      18.250  14.771 -11.701  1.00 25.08           C  
ATOM    277  O   PRO A  37      18.664  15.112 -12.820  1.00 24.26           O  
ATOM    278  CB  PRO A  37      18.108  16.983 -10.518  1.00 25.32           C  
ATOM    279  CG  PRO A  37      19.186  17.846  -9.987  1.00 26.34           C  
ATOM    280  CD  PRO A  37      20.466  17.219 -10.488  1.00 26.14           C  
ATOM    281  N   VAL A  38      17.463  13.723 -11.488  1.00 24.88           N  
ATOM    282  CA  VAL A  38      17.070  12.818 -12.571  1.00 25.08           C  
ATOM    283  C   VAL A  38      15.986  13.391 -13.478  1.00 25.26           C  
ATOM    284  O   VAL A  38      15.854  12.984 -14.632  1.00 25.04           O  
ATOM    285  CB  VAL A  38      16.602  11.457 -12.027  1.00 25.22           C  
ATOM    286  CG1 VAL A  38      17.679  10.839 -11.186  1.00 26.07           C  
ATOM    287  CG2 VAL A  38      15.293  11.580 -11.241  1.00 24.85           C  
ATOM    288  N   ASP A  39      15.169  14.302 -12.952  1.00 24.86           N  
ATOM    289  CA  ASP A  39      14.114  14.900 -13.756  1.00 24.56           C  
ATOM    290  C   ASP A  39      13.570  16.178 -13.102  1.00 24.72           C  
ATOM    291  O   ASP A  39      14.062  16.604 -12.059  1.00 22.79           O  
ATOM    292  CB  ASP A  39      13.007  13.885 -14.056  1.00 24.83           C  
ATOM    293  CG  ASP A  39      12.210  13.485 -12.835  1.00 25.40           C  
ATOM    294  OD1 ASP A  39      12.342  14.094 -11.740  1.00 23.48           O  
ATOM    295  OD2 ASP A  39      11.403  12.543 -12.886  1.00 23.13           O  
ATOM    296  N   ASP A  40      12.570  16.809 -13.690  1.00 24.74           N  
ATOM    297  CA  ASP A  40      12.049  18.082 -13.203  1.00 25.52           C  
ATOM    298  C   ASP A  40      11.529  17.954 -11.775  1.00 24.89           C  
ATOM    299  O   ASP A  40      11.669  18.914 -10.958  1.00 24.30           O  
ATOM    300  CB  ASP A  40      10.940  18.594 -14.123  1.00 26.27           C  
ATOM    301  CG  ASP A  40      11.464  19.045 -15.473  1.00 29.74           C  
ATOM    302  OD1 ASP A  40      12.693  19.231 -15.602  1.00 20.00           O  
ATOM    303  OD2 ASP A  40      10.647  19.212 -16.402  1.00 20.00           O  
ATOM    304  N   LEU A  41      10.886  16.844 -11.386  1.00 23.41           N  
ATOM    305  CA  LEU A  41      10.385  16.680 -10.025  1.00 22.95           C  
ATOM    306  C   LEU A  41      11.560  16.639  -9.037  1.00 22.64           C  
ATOM    307  O   LEU A  41      11.516  17.245  -7.957  1.00 21.98           O  
ATOM    308  CB  LEU A  41       9.508  15.429  -9.880  1.00 23.20           C  
ATOM    309  CG  LEU A  41       9.052  15.048  -8.458  1.00 23.46           C  
ATOM    310  CD1 LEU A  41       8.342  16.188  -7.762  1.00 24.20           C  
ATOM    311  CD2 LEU A  41       8.145  13.823  -8.499  1.00 25.65           C  
ATOM    312  N   ASP A  42      12.613  15.921  -9.409  1.00 21.35           N  
ATOM    313  CA  ASP A  42      13.798  15.820  -8.571  1.00 20.69           C  
ATOM    314  C   ASP A  42      14.438  17.204  -8.419  1.00 20.58           C  
ATOM    315  O   ASP A  42      14.979  17.540  -7.352  1.00 19.95           O  
ATOM    316  CB  ASP A  42      14.783  14.851  -9.201  1.00 20.46           C  
ATOM    317  CG  ASP A  42      15.705  14.193  -8.204  1.00 20.16           C  
ATOM    318  OD1 ASP A  42      15.449  14.226  -6.958  1.00 16.85           O  
ATOM    319  OD2 ASP A  42      16.702  13.543  -8.624  1.00 18.70           O  
ATOM    320  N   ARG A  43      14.366  18.010  -9.471  1.00 20.09           N  
ATOM    321  CA  ARG A  43      14.882  19.384  -9.391  1.00 20.84           C  
ATOM    322  C   ARG A  43      14.091  20.193  -8.357  1.00 20.06           C  
ATOM    323  O   ARG A  43      14.648  21.047  -7.690  1.00 20.18           O  
ATOM    324  CB  ARG A  43      14.862  20.072 -10.749  1.00 21.40           C  
ATOM    325  CG  ARG A  43      15.940  19.544 -11.686  1.00 25.11           C  
ATOM    326  CD  ARG A  43      16.039  20.303 -12.990  1.00 28.45           C  
ATOM    327  NE  ARG A  43      17.090  19.759 -13.837  1.00 31.23           N  
ATOM    328  CZ  ARG A  43      18.388  19.998 -13.666  1.00 32.09           C  
ATOM    329  NH1 ARG A  43      18.809  20.779 -12.684  1.00 32.28           N  
ATOM    330  NH2 ARG A  43      19.263  19.439 -14.480  1.00 33.77           N  
ATOM    331  N   CYS A  44      12.800  19.924  -8.208  1.00 19.71           N  
ATOM    332  CA  CYS A  44      12.021  20.609  -7.177  1.00 18.92           C  
ATOM    333  C   CYS A  44      12.635  20.305  -5.827  1.00 18.26           C  
ATOM    334  O   CYS A  44      12.819  21.183  -4.977  1.00 17.18           O  
ATOM    335  CB  CYS A  44      10.601  20.079  -7.134  1.00 19.54           C  
ATOM    336  SG  CYS A  44       9.564  20.513  -8.509  1.00 20.50           S  
ATOM    337  N   CYS A  45      12.959  19.036  -5.625  1.00 17.32           N  
ATOM    338  CA  CYS A  45      13.522  18.602  -4.367  1.00 16.89           C  
ATOM    339  C   CYS A  45      14.950  19.126  -4.161  1.00 16.56           C  
ATOM    340  O   CYS A  45      15.327  19.435  -3.042  1.00 15.90           O  
ATOM    341  CB  CYS A  45      13.456  17.076  -4.246  1.00 17.46           C  
ATOM    342  SG  CYS A  45      11.744  16.464  -4.250  1.00 19.34           S  
ATOM    343  N   GLN A  46      15.731  19.278  -5.227  1.00 16.82           N  
ATOM    344  CA  GLN A  46      17.081  19.784  -5.071  1.00 16.62           C  
ATOM    345  C   GLN A  46      17.022  21.215  -4.500  1.00 16.44           C  
ATOM    346  O   GLN A  46      17.717  21.533  -3.532  1.00 16.07           O  
ATOM    347  CB  GLN A  46      17.833  19.789  -6.403  1.00 17.22           C  
ATOM    348  CG  GLN A  46      19.258  20.313  -6.293  1.00 18.06           C  
ATOM    349  CD  GLN A  46      19.966  20.436  -7.634  1.00 20.62           C  
ATOM    350  OE1 GLN A  46      19.444  21.042  -8.561  1.00 25.21           O  
ATOM    351  NE2 GLN A  46      21.157  19.873  -7.726  1.00 21.18           N  
ATOM    352  N   VAL A  47      16.187  22.046  -5.118  1.00 16.15           N  
ATOM    353  CA  VAL A  47      16.001  23.438  -4.715  1.00 16.66           C  
ATOM    354  C   VAL A  47      15.497  23.481  -3.266  1.00 15.84           C  
ATOM    355  O   VAL A  47      15.982  24.261  -2.430  1.00 14.62           O  
ATOM    356  CB  VAL A  47      14.987  24.139  -5.618  1.00 17.37           C  
ATOM    357  CG1 VAL A  47      14.678  25.544  -5.099  1.00 19.08           C  
ATOM    358  CG2 VAL A  47      15.504  24.207  -7.059  1.00 20.27           C  
ATOM    359  N   HIS A  48      14.563  22.595  -2.958  1.00 14.63           N  
ATOM    360  CA  HIS A  48      14.038  22.486  -1.583  1.00 14.71           C  
ATOM    361  C   HIS A  48      15.152  22.162  -0.576  1.00 14.29           C  
ATOM    362  O   HIS A  48      15.276  22.789   0.480  1.00 13.13           O  
ATOM    363  CB  HIS A  48      12.900  21.464  -1.533  1.00 14.36           C  
ATOM    364  CG  HIS A  48      12.221  21.390  -0.204  1.00 15.12           C  
ATOM    365  ND1 HIS A  48      12.411  20.344   0.670  1.00 17.56           N  
ATOM    366  CD2 HIS A  48      11.368  22.244   0.410  1.00 15.05           C  
ATOM    367  CE1 HIS A  48      11.686  20.551   1.759  1.00 17.44           C  
ATOM    368  NE2 HIS A  48      11.066  21.710   1.638  1.00 14.67           N  
ATOM    369  N   ASP A  49      15.970  21.172  -0.895  1.00 14.78           N  
ATOM    370  CA  ASP A  49      17.077  20.814  -0.047  1.00 15.43           C  
ATOM    371  C   ASP A  49      18.039  21.994   0.121  1.00 14.02           C  
ATOM    372  O   ASP A  49      18.508  22.234   1.185  1.00 13.39           O  
ATOM    373  CB  ASP A  49      17.868  19.661  -0.674  1.00 16.30           C  
ATOM    374  CG  ASP A  49      17.196  18.292  -0.512  1.00 21.12           C  
ATOM    375  OD1 ASP A  49      16.165  18.126   0.198  1.00 20.98           O  
ATOM    376  OD2 ASP A  49      17.675  17.294  -1.101  1.00 27.97           O  
ATOM    377  N   ASN A  50      18.357  22.681  -0.973  1.00 13.85           N  
ATOM    378  CA  ASN A  50      19.223  23.838  -0.961  1.00 13.52           C  
ATOM    379  C   ASN A  50      18.638  24.958  -0.069  1.00 13.74           C  
ATOM    380  O   ASN A  50      19.354  25.615   0.688  1.00 13.05           O  
ATOM    381  CB  ASN A  50      19.431  24.362  -2.384  1.00 13.85           C  
ATOM    382  CG  ASN A  50      20.422  23.522  -3.214  1.00 15.47           C  
ATOM    383  OD1 ASN A  50      20.950  22.479  -2.778  1.00 18.18           O  
ATOM    384  ND2 ASN A  50      20.688  23.999  -4.401  1.00 14.09           N  
ATOM    385  N   CYS A  51      17.318  25.097  -0.128  1.00 12.98           N  
ATOM    386  CA  CYS A  51      16.565  26.091   0.608  1.00 13.54           C  
ATOM    387  C   CYS A  51      16.691  25.820   2.096  1.00 13.29           C  
ATOM    388  O   CYS A  51      16.960  26.728   2.874  1.00 14.75           O  
ATOM    389  CB  CYS A  51      15.105  26.123   0.098  1.00 13.47           C  
ATOM    390  SG  CYS A  51      14.160  27.542   0.647  1.00 14.91           S  
ATOM    391  N   TYR A  52      16.589  24.554   2.483  1.00 13.82           N  
ATOM    392  CA  TYR A  52      16.781  24.161   3.863  1.00 13.58           C  
ATOM    393  C   TYR A  52      18.203  24.431   4.331  1.00 14.73           C  
ATOM    394  O   TYR A  52      18.415  24.855   5.472  1.00 14.71           O  
ATOM    395  CB  TYR A  52      16.470  22.688   4.059  1.00 13.64           C  
ATOM    396  CG  TYR A  52      14.999  22.374   4.364  1.00 12.79           C  
ATOM    397  CD1 TYR A  52      13.987  23.272   4.092  1.00 13.88           C  
ATOM    398  CD2 TYR A  52      14.651  21.163   4.903  1.00 14.17           C  
ATOM    399  CE1 TYR A  52      12.645  22.961   4.357  1.00 12.48           C  
ATOM    400  CE2 TYR A  52      13.327  20.840   5.177  1.00 16.81           C  
ATOM    401  CZ  TYR A  52      12.336  21.731   4.906  1.00 15.02           C  
ATOM    402  OH  TYR A  52      11.046  21.360   5.188  1.00 17.80           O  
ATOM    403  N   ASN A  53      19.183  24.157   3.473  1.00 15.33           N  
ATOM    404  CA  ASN A  53      20.563  24.403   3.848  1.00 16.18           C  
ATOM    405  C   ASN A  53      20.806  25.870   4.152  1.00 16.81           C  
ATOM    406  O   ASN A  53      21.552  26.225   5.064  1.00 16.62           O  
ATOM    407  CB  ASN A  53      21.518  23.912   2.758  1.00 16.40           C  
ATOM    408  CG  ASN A  53      21.727  22.427   2.813  1.00 17.32           C  
ATOM    409  OD1 ASN A  53      21.462  21.777   3.839  1.00 19.99           O  
ATOM    410  ND2 ASN A  53      22.193  21.859   1.709  1.00 17.25           N  
ATOM    411  N   GLU A  54      20.172  26.725   3.367  1.00 17.47           N  
ATOM    412  CA  GLU A  54      20.298  28.141   3.538  1.00 18.84           C  
ATOM    413  C   GLU A  54      19.649  28.580   4.849  1.00 19.60           C  
ATOM    414  O   GLU A  54      20.246  29.363   5.596  1.00 18.76           O  
ATOM    415  CB  GLU A  54      19.733  28.838   2.304  1.00 19.85           C  
ATOM    416  CG  GLU A  54      20.205  30.245   2.127  1.00 23.56           C  
ATOM    417  CD  GLU A  54      21.663  30.387   1.767  1.00 23.07           C  
ATOM    418  OE1 GLU A  54      22.068  31.527   2.011  1.00 31.14           O  
ATOM    419  OE2 GLU A  54      22.355  29.453   1.238  1.00 26.11           O  
ATOM    420  N   ALA A  55      18.463  28.044   5.162  1.00 19.37           N  
ATOM    421  CA  ALA A  55      17.773  28.372   6.414  1.00 19.68           C  
ATOM    422  C   ALA A  55      18.540  27.949   7.662  1.00 20.06           C  
ATOM    423  O   ALA A  55      18.455  28.614   8.705  1.00 19.88           O  
ATOM    424  CB  ALA A  55      16.364  27.754   6.419  1.00 19.68           C  
ATOM    425  N   GLU A  56      19.269  26.838   7.565  1.00 20.26           N  
ATOM    426  CA  GLU A  56      20.074  26.341   8.669  1.00 21.28           C  
ATOM    427  C   GLU A  56      21.146  27.341   9.069  1.00 21.62           C  
ATOM    428  O   GLU A  56      21.744  27.208  10.135  1.00 21.22           O  
ATOM    429  CB  GLU A  56      20.735  24.997   8.332  1.00 22.00           C  
ATOM    430  CG  GLU A  56      19.808  23.778   8.330  1.00 23.41           C  
ATOM    431  CD  GLU A  56      19.842  22.910   9.612  1.00 27.14           C  
ATOM    432  OE1 GLU A  56      19.121  21.891   9.638  1.00 30.03           O  
ATOM    433  OE2 GLU A  56      20.538  23.217  10.602  1.00 29.45           O  
ATOM    434  N   ASN A  57      21.400  28.334   8.221  1.00 22.05           N  
ATOM    435  CA  ASN A  57      22.393  29.361   8.541  1.00 22.76           C  
ATOM    436  C   ASN A  57      21.862  30.343   9.581  1.00 22.29           C  
ATOM    437  O   ASN A  57      22.635  31.050  10.237  1.00 21.74           O  
ATOM    438  CB  ASN A  57      22.816  30.119   7.285  1.00 23.61           C  
ATOM    439  CG  ASN A  57      23.746  29.319   6.414  1.00 26.70           C  
ATOM    440  OD1 ASN A  57      24.372  28.369   6.874  1.00 33.47           O  
ATOM    441  ND2 ASN A  57      23.877  29.717   5.153  1.00 31.45           N  
ATOM    442  N   ILE A  58      20.544  30.388   9.734  1.00 21.33           N  
ATOM    443  CA  ILE A  58      19.917  31.262  10.717  1.00 21.78           C  
ATOM    444  C   ILE A  58      20.087  30.629  12.086  1.00 21.42           C  
ATOM    445  O   ILE A  58      19.796  29.453  12.282  1.00 18.84           O  
ATOM    446  CB  ILE A  58      18.429  31.481  10.411  1.00 21.73           C  
ATOM    447  CG1 ILE A  58      18.248  32.135   9.042  1.00 23.41           C  
ATOM    448  CG2 ILE A  58      17.795  32.376  11.518  1.00 23.22           C  
ATOM    449  CD1 ILE A  58      16.803  32.110   8.517  1.00 23.96           C  
ATOM    450  N   SER A  59      20.584  31.418  13.038  1.00 22.45           N  
ATOM    451  CA  SER A  59      20.865  30.894  14.364  1.00 22.60           C  
ATOM    452  C   SER A  59      19.635  30.252  14.957  1.00 21.23           C  
ATOM    453  O   SER A  59      18.616  30.904  15.061  1.00 22.46           O  
ATOM    454  CB  SER A  59      21.312  32.022  15.312  1.00 24.18           C  
ATOM    455  OG  SER A  59      21.407  31.514  16.638  1.00 26.83           O  
ATOM    456  N   GLY A  60      19.755  28.996  15.392  1.00 19.13           N  
ATOM    457  CA  GLY A  60      18.665  28.292  16.038  1.00 18.72           C  
ATOM    458  C   GLY A  60      17.573  27.829  15.101  1.00 17.39           C  
ATOM    459  O   GLY A  60      16.532  27.387  15.565  1.00 19.51           O  
ATOM    460  N   CYS A  61      17.810  27.908  13.796  1.00 15.51           N  
ATOM    461  CA  CYS A  61      16.804  27.542  12.795  1.00 15.00           C  
ATOM    462  C   CYS A  61      16.993  26.104  12.318  1.00 13.93           C  
ATOM    463  O   CYS A  61      18.002  25.786  11.705  1.00 14.36           O  
ATOM    464  CB  CYS A  61      16.877  28.483  11.607  1.00 14.06           C  
ATOM    465  SG  CYS A  61      15.414  28.412  10.549  1.00 15.07           S  
ATOM    466  N   ARG A  62      16.014  25.259  12.590  1.00 12.74           N  
ATOM    467  CA  ARG A  62      16.050  23.845  12.245  1.00 14.06           C  
ATOM    468  C   ARG A  62      14.844  23.464  11.396  1.00 14.74           C  
ATOM    469  O   ARG A  62      13.792  23.138  11.935  1.00 14.95           O  
ATOM    470  CB  ARG A  62      16.067  23.009  13.534  1.00 14.46           C  
ATOM    471  CG  ARG A  62      17.163  23.391  14.483  1.00 15.82           C  
ATOM    472  CD  ARG A  62      17.077  22.710  15.849  1.00 19.24           C  
ATOM    473  NE  ARG A  62      16.070  23.305  16.708  1.00 21.52           N  
ATOM    474  CZ  ARG A  62      16.309  24.257  17.601  1.00 24.80           C  
ATOM    475  NH1 ARG A  62      17.537  24.743  17.771  1.00 25.44           N  
ATOM    476  NH2 ARG A  62      15.305  24.736  18.320  1.00 26.99           N  
ATOM    477  N   PRO A  63      15.002  23.514  10.072  1.00 15.14           N  
ATOM    478  CA  PRO A  63      13.899  23.315   9.132  1.00 15.95           C  
ATOM    479  C   PRO A  63      13.062  22.087   9.320  1.00 15.93           C  
ATOM    480  O   PRO A  63      11.866  22.210   9.132  1.00 16.45           O  
ATOM    481  CB  PRO A  63      14.596  23.273   7.775  1.00 15.54           C  
ATOM    482  CG  PRO A  63      15.776  24.082   7.981  1.00 16.53           C  
ATOM    483  CD  PRO A  63      16.247  23.818   9.372  1.00 15.57           C  
ATOM    484  N   TYR A  64      13.634  20.929   9.626  1.00 16.42           N  
ATOM    485  CA  TYR A  64      12.803  19.740   9.791  1.00 17.49           C  
ATOM    486  C   TYR A  64      11.872  19.843  11.001  1.00 16.99           C  
ATOM    487  O   TYR A  64      10.825  19.188  11.040  1.00 16.99           O  
ATOM    488  CB  TYR A  64      13.658  18.486   9.995  1.00 19.05           C  
ATOM    489  CG  TYR A  64      14.223  17.807   8.759  1.00 23.63           C  
ATOM    490  CD1 TYR A  64      14.523  16.448   8.788  1.00 29.47           C  
ATOM    491  CD2 TYR A  64      14.521  18.506   7.619  1.00 28.99           C  
ATOM    492  CE1 TYR A  64      15.067  15.810   7.693  1.00 32.05           C  
ATOM    493  CE2 TYR A  64      15.060  17.878   6.515  1.00 31.54           C  
ATOM    494  CZ  TYR A  64      15.325  16.536   6.555  1.00 33.13           C  
ATOM    495  OH  TYR A  64      15.846  15.909   5.455  1.00 36.61           O  
ATOM    496  N   PHE A  65      12.261  20.628  11.996  1.00 15.84           N  
ATOM    497  CA  PHE A  65      11.502  20.736  13.243  1.00 16.17           C  
ATOM    498  C   PHE A  65      10.791  22.051  13.537  1.00 16.50           C  
ATOM    499  O   PHE A  65       9.957  22.086  14.428  1.00 17.72           O  
ATOM    500  CB  PHE A  65      12.426  20.414  14.405  1.00 16.24           C  
ATOM    501  CG  PHE A  65      13.102  19.082  14.255  1.00 16.59           C  
ATOM    502  CD1 PHE A  65      14.324  18.976  13.612  1.00 17.68           C  
ATOM    503  CD2 PHE A  65      12.463  17.936  14.670  1.00 20.31           C  
ATOM    504  CE1 PHE A  65      14.938  17.731  13.429  1.00 18.88           C  
ATOM    505  CE2 PHE A  65      13.078  16.683  14.491  1.00 21.77           C  
ATOM    506  CZ  PHE A  65      14.318  16.597  13.868  1.00 18.57           C  
ATOM    507  N   LYS A  66      11.114  23.126  12.827  1.00 16.74           N  
ATOM    508  CA  LYS A  66      10.510  24.432  13.114  1.00 17.30           C  
ATOM    509  C   LYS A  66       9.040  24.481  12.720  1.00 17.22           C  
ATOM    510  O   LYS A  66       8.697  24.251  11.573  1.00 16.67           O  
ATOM    511  CB  LYS A  66      11.242  25.537  12.343  1.00 17.32           C  
ATOM    512  CG  LYS A  66      10.613  26.912  12.512  1.00 18.28           C  
ATOM    513  CD  LYS A  66      10.750  27.435  13.928  1.00 18.09           C  
ATOM    514  CE  LYS A  66      10.185  28.818  14.118  1.00 20.24           C  
ATOM    515  NZ  LYS A  66      10.152  29.167  15.603  1.00 22.63           N  
ATOM    516  N   THR A  67       8.174  24.806  13.671  1.00 17.82           N  
ATOM    517  CA  THR A  67       6.755  24.926  13.409  1.00 18.43           C  
ATOM    518  C   THR A  67       6.470  26.337  12.955  1.00 18.48           C  
ATOM    519  O   THR A  67       6.761  27.297  13.678  1.00 19.01           O  
ATOM    520  CB  THR A  67       5.988  24.632  14.687  1.00 19.08           C  
ATOM    521  OG1 THR A  67       6.316  23.303  15.104  1.00 20.65           O  
ATOM    522  CG2 THR A  67       4.486  24.648  14.441  1.00 21.17           C  
ATOM    523  N   TYR A  68       5.919  26.474  11.756  1.00 17.50           N  
ATOM    524  CA  TYR A  68       5.607  27.783  11.232  1.00 17.04           C  
ATOM    525  C   TYR A  68       4.093  27.949  11.186  1.00 17.06           C  
ATOM    526  O   TYR A  68       3.363  27.048  11.549  1.00 17.40           O  
ATOM    527  CB  TYR A  68       6.228  27.996   9.840  1.00 17.20           C  
ATOM    528  CG  TYR A  68       6.107  26.835   8.879  1.00 16.04           C  
ATOM    529  CD1 TYR A  68       4.893  26.510   8.319  1.00 16.13           C  
ATOM    530  CD2 TYR A  68       7.218  26.062   8.529  1.00 15.43           C  
ATOM    531  CE1 TYR A  68       4.767  25.458   7.458  1.00 16.47           C  
ATOM    532  CE2 TYR A  68       7.115  25.022   7.659  1.00 12.58           C  
ATOM    533  CZ  TYR A  68       5.874  24.708   7.120  1.00 14.98           C  
ATOM    534  OH  TYR A  68       5.702  23.667   6.237  1.00 13.21           O  
ATOM    535  N   SER A  69       3.641  29.118  10.757  1.00 17.52           N  
ATOM    536  CA  SER A  69       2.224  29.396  10.672  1.00 17.82           C  
ATOM    537  C   SER A  69       1.860  29.486   9.192  1.00 17.25           C  
ATOM    538  O   SER A  69       2.440  30.280   8.455  1.00 18.11           O  
ATOM    539  CB  SER A  69       1.903  30.708  11.392  1.00 18.38           C  
ATOM    540  OG  SER A  69       0.524  31.006  11.258  1.00 21.32           O  
ATOM    541  N   TYR A  70       0.911  28.659   8.756  1.00 17.22           N  
ATOM    542  CA  TYR A  70       0.489  28.627   7.344  1.00 16.77           C  
ATOM    543  C   TYR A  70      -0.990  28.228   7.209  1.00 17.26           C  
ATOM    544  O   TYR A  70      -1.608  27.802   8.155  1.00 17.03           O  
ATOM    545  CB  TYR A  70       1.370  27.668   6.539  1.00 16.26           C  
ATOM    546  CG  TYR A  70       1.044  26.218   6.761  1.00 15.28           C  
ATOM    547  CD1 TYR A  70       0.437  25.473   5.771  1.00 17.28           C  
ATOM    548  CD2 TYR A  70       1.308  25.596   7.970  1.00 16.05           C  
ATOM    549  CE1 TYR A  70       0.125  24.153   5.964  1.00 17.84           C  
ATOM    550  CE2 TYR A  70       0.996  24.261   8.171  1.00 16.04           C  
ATOM    551  CZ  TYR A  70       0.389  23.559   7.177  1.00 17.36           C  
ATOM    552  OH  TYR A  70       0.058  22.222   7.366  1.00 21.03           O  
ATOM    553  N   GLU A  71      -1.550  28.386   6.029  1.00 19.23           N  
ATOM    554  CA  GLU A  71      -2.941  28.002   5.789  1.00 20.83           C  
ATOM    555  C   GLU A  71      -3.034  27.385   4.413  1.00 21.48           C  
ATOM    556  O   GLU A  71      -2.336  27.800   3.513  1.00 20.36           O  
ATOM    557  CB  GLU A  71      -3.848  29.244   5.886  1.00 21.52           C  
ATOM    558  CG  GLU A  71      -5.310  28.979   5.612  1.00 26.23           C  
ATOM    559  CD  GLU A  71      -6.165  30.243   5.659  1.00 31.78           C  
ATOM    560  OE1 GLU A  71      -5.719  31.271   6.228  1.00 35.47           O  
ATOM    561  OE2 GLU A  71      -7.283  30.204   5.103  1.00 36.26           O  
ATOM    562  N   CYS A  72      -3.871  26.361   4.254  1.00 23.15           N  
ATOM    563  CA  CYS A  72      -4.170  25.822   2.934  1.00 25.07           C  
ATOM    564  C   CYS A  72      -5.689  25.717   2.901  1.00 25.64           C  
ATOM    565  O   CYS A  72      -6.266  24.862   3.598  1.00 24.81           O  
ATOM    566  CB  CYS A  72      -3.514  24.463   2.660  1.00 26.51           C  
ATOM    567  SG  CYS A  72      -3.670  23.797   0.933  1.00 31.32           S  
ATOM    568  N   THR A  73      -6.310  26.632   2.151  1.00 25.77           N  
ATOM    569  CA  THR A  73      -7.766  26.703   1.972  1.00 26.79           C  
ATOM    570  C   THR A  73      -8.053  27.010   0.524  1.00 25.19           C  
ATOM    571  O   THR A  73      -7.415  27.887  -0.076  1.00 23.57           O  
ATOM    572  CB  THR A  73      -8.416  27.928   2.673  1.00 27.09           C  
ATOM    573  OG1 THR A  73      -7.468  28.697   3.410  1.00 32.06           O  
ATOM    574  CG2 THR A  73      -9.475  27.506   3.638  1.00 29.55           C  
ATOM    575  N   GLN A  74      -9.082  26.344   0.022  1.00 24.65           N  
ATOM    576  CA  GLN A  74      -9.597  26.594  -1.323  1.00 24.71           C  
ATOM    577  C   GLN A  74      -8.535  26.712  -2.394  1.00 24.54           C  
ATOM    578  O   GLN A  74      -8.511  27.694  -3.154  1.00 24.68           O  
ATOM    579  CB  GLN A  74     -10.446  27.859  -1.307  1.00 24.84           C  
ATOM    580  CG  GLN A  74     -11.599  27.803  -0.308  1.00 26.54           C  
ATOM    581  CD  GLN A  74     -12.519  29.009  -0.356  1.00 27.84           C  
ATOM    582  OE1 GLN A  74     -12.106  30.119  -0.674  1.00 31.98           O  
ATOM    583  NE2 GLN A  74     -13.758  28.790   0.010  1.00 30.95           N  
ATOM    584  N   GLY A  75      -7.674  25.707  -2.439  1.00 24.15           N  
ATOM    585  CA  GLY A  75      -6.614  25.607  -3.421  1.00 24.43           C  
ATOM    586  C   GLY A  75      -5.450  26.562  -3.285  1.00 23.83           C  
ATOM    587  O   GLY A  75      -4.611  26.608  -4.188  1.00 24.28           O  
ATOM    588  N   THR A  76      -5.386  27.304  -2.182  1.00 23.46           N  
ATOM    589  CA  THR A  76      -4.326  28.283  -1.967  1.00 23.73           C  
ATOM    590  C   THR A  76      -3.499  28.031  -0.680  1.00 23.10           C  
ATOM    591  O   THR A  76      -4.050  27.910   0.418  1.00 22.69           O  
ATOM    592  CB  THR A  76      -4.934  29.703  -1.887  1.00 24.39           C  
ATOM    593  OG1 THR A  76      -5.589  30.060  -3.130  1.00 27.37           O  
ATOM    594  CG2 THR A  76      -3.863  30.747  -1.695  1.00 24.48           C  
ATOM    595  N   LEU A  77      -2.182  27.992  -0.848  1.00 22.73           N  
ATOM    596  CA  LEU A  77      -1.223  27.862   0.252  1.00 22.72           C  
ATOM    597  C   LEU A  77      -0.676  29.238   0.559  1.00 22.27           C  
ATOM    598  O   LEU A  77      -0.175  29.906  -0.348  1.00 22.03           O  
ATOM    599  CB  LEU A  77      -0.027  27.009  -0.178  1.00 23.54           C  
ATOM    600  CG  LEU A  77       0.090  25.532   0.125  1.00 24.80           C  
ATOM    601  CD1 LEU A  77       1.370  24.943  -0.510  1.00 24.86           C  
ATOM    602  CD2 LEU A  77       0.052  25.290   1.592  1.00 26.10           C  
ATOM    603  N   THR A  78      -0.753  29.633   1.821  1.00 21.23           N  
ATOM    604  CA  THR A  78      -0.258  30.900   2.320  1.00 22.15           C  
ATOM    605  C   THR A  78       0.611  30.711   3.557  1.00 21.48           C  
ATOM    606  O   THR A  78       0.221  29.993   4.492  1.00 21.20           O  
ATOM    607  CB  THR A  78      -1.444  31.789   2.783  1.00 22.43           C  
ATOM    608  OG1 THR A  78      -2.407  31.947   1.728  1.00 25.58           O  
ATOM    609  CG2 THR A  78      -0.969  33.174   3.092  1.00 23.86           C  
ATOM    610  N   CYS A  79       1.757  31.389   3.578  1.00 21.07           N  
ATOM    611  CA  CYS A  79       2.581  31.486   4.768  1.00 21.09           C  
ATOM    612  C   CYS A  79       2.152  32.783   5.444  1.00 23.01           C  
ATOM    613  O   CYS A  79       2.128  33.837   4.803  1.00 22.46           O  
ATOM    614  CB  CYS A  79       4.075  31.540   4.415  1.00 20.36           C  
ATOM    615  SG  CYS A  79       4.709  29.944   3.859  1.00 17.95           S  
ATOM    616  N   LYS A  80       1.835  32.714   6.731  1.00 25.22           N  
ATOM    617  CA  LYS A  80       1.272  33.862   7.456  1.00 27.75           C  
ATOM    618  C   LYS A  80       2.293  34.873   7.958  1.00 29.01           C  
ATOM    619  O   LYS A  80       3.501  34.616   7.997  1.00 29.27           O  
ATOM    620  CB  LYS A  80       0.442  33.356   8.629  1.00 28.22           C  
ATOM    621  CG  LYS A  80      -0.845  32.673   8.188  1.00 31.16           C  
ATOM    622  CD  LYS A  80      -1.596  32.082   9.370  1.00 34.68           C  
ATOM    623  CE  LYS A  80      -3.028  31.759   9.021  1.00 37.40           C  
ATOM    624  NZ  LYS A  80      -3.808  31.292  10.206  1.00 39.46           N  
ATOM    625  N   GLY A  81       1.798  36.041   8.357  1.00 30.34           N  
ATOM    626  CA  GLY A  81       2.676  37.103   8.827  1.00 31.56           C  
ATOM    627  C   GLY A  81       3.251  36.954  10.226  1.00 32.13           C  
ATOM    628  O   GLY A  81       4.206  37.657  10.567  1.00 33.60           O  
ATOM    629  N   ASP A  82       2.701  36.071  11.054  1.00 32.41           N  
ATOM    630  CA  ASP A  82       3.246  35.932  12.416  1.00 32.31           C  
ATOM    631  C   ASP A  82       4.539  35.095  12.470  1.00 30.71           C  
ATOM    632  O   ASP A  82       5.022  34.757  13.547  1.00 32.14           O  
ATOM    633  CB  ASP A  82       2.204  35.384  13.400  1.00 32.92           C  
ATOM    634  CG  ASP A  82       1.487  34.154  12.884  1.00 35.28           C  
ATOM    635  OD1 ASP A  82       1.151  34.145  11.683  1.00 38.29           O  
ATOM    636  OD2 ASP A  82       1.202  33.165  13.610  1.00 37.47           O  
ATOM    637  N   ASN A  83       5.121  34.784  11.321  1.00 27.94           N  
ATOM    638  CA  ASN A  83       6.342  33.989  11.314  1.00 25.46           C  
ATOM    639  C   ASN A  83       7.610  34.819  11.531  1.00 24.25           C  
ATOM    640  O   ASN A  83       7.756  35.879  10.933  1.00 24.09           O  
ATOM    641  CB  ASN A  83       6.448  33.240   9.990  1.00 24.74           C  
ATOM    642  CG  ASN A  83       5.411  32.167   9.856  1.00 21.72           C  
ATOM    643  OD1 ASN A  83       5.236  31.361  10.758  1.00 19.19           O  
ATOM    644  ND2 ASN A  83       4.689  32.160   8.731  1.00 22.52           N  
ATOM    645  N   ASN A  84       8.518  34.348  12.386  1.00 22.58           N  
ATOM    646  CA  ASN A  84       9.817  35.019  12.527  1.00 21.74           C  
ATOM    647  C   ASN A  84      10.647  34.674  11.305  1.00 20.73           C  
ATOM    648  O   ASN A  84      10.186  33.929  10.456  1.00 19.64           O  
ATOM    649  CB  ASN A  84      10.540  34.694  13.839  1.00 22.24           C  
ATOM    650  CG  ASN A  84      10.955  33.243  13.994  1.00 22.10           C  
ATOM    651  OD1 ASN A  84      11.108  32.485  13.045  1.00 20.14           O  
ATOM    652  ND2 ASN A  84      11.156  32.856  15.269  1.00 23.92           N  
ATOM    653  N   ALA A  85      11.855  35.210  11.208  1.00 19.81           N  
ATOM    654  CA  ALA A  85      12.718  34.997  10.058  1.00 18.99           C  
ATOM    655  C   ALA A  85      12.897  33.517   9.726  1.00 18.00           C  
ATOM    656  O   ALA A  85      12.735  33.113   8.576  1.00 18.41           O  
ATOM    657  CB  ALA A  85      14.067  35.640  10.283  1.00 19.18           C  
ATOM    658  N   CYS A  86      13.221  32.713  10.725  1.00 16.88           N  
ATOM    659  CA  CYS A  86      13.367  31.269  10.516  1.00 15.61           C  
ATOM    660  C   CYS A  86      12.067  30.651   9.995  1.00 15.09           C  
ATOM    661  O   CYS A  86      12.063  29.970   8.964  1.00 14.70           O  
ATOM    662  CB  CYS A  86      13.764  30.612  11.831  1.00 15.56           C  
ATOM    663  SG  CYS A  86      13.890  28.840  11.778  1.00 15.64           S  
ATOM    664  N   ALA A  87      10.962  30.869  10.710  1.00 15.56           N  
ATOM    665  CA  ALA A  87       9.683  30.289  10.306  1.00 16.06           C  
ATOM    666  C   ALA A  87       9.263  30.734   8.898  1.00 16.32           C  
ATOM    667  O   ALA A  87       8.771  29.915   8.097  1.00 15.81           O  
ATOM    668  CB  ALA A  87       8.609  30.607  11.319  1.00 16.86           C  
ATOM    669  N   ALA A  88       9.444  32.021   8.598  1.00 15.88           N  
ATOM    670  CA  ALA A  88       9.068  32.556   7.292  1.00 16.25           C  
ATOM    671  C   ALA A  88       9.880  31.896   6.176  1.00 15.60           C  
ATOM    672  O   ALA A  88       9.341  31.540   5.137  1.00 14.85           O  
ATOM    673  CB  ALA A  88       9.264  34.074   7.256  1.00 16.58           C  
ATOM    674  N   SER A  89      11.179  31.766   6.394  1.00 15.81           N  
ATOM    675  CA  SER A  89      12.065  31.156   5.414  1.00 16.43           C  
ATOM    676  C   SER A  89      11.683  29.700   5.157  1.00 15.15           C  
ATOM    677  O   SER A  89      11.536  29.291   4.008  1.00 15.61           O  
ATOM    678  CB  SER A  89      13.519  31.226   5.878  1.00 16.72           C  
ATOM    679  OG  SER A  89      13.974  32.566   5.814  1.00 21.56           O  
ATOM    680  N   VAL A  90      11.531  28.932   6.222  1.00 14.00           N  
ATOM    681  CA  VAL A  90      11.220  27.500   6.090  1.00 14.75           C  
ATOM    682  C   VAL A  90       9.844  27.311   5.459  1.00 14.11           C  
ATOM    683  O   VAL A  90       9.667  26.457   4.604  1.00 13.37           O  
ATOM    684  CB  VAL A  90      11.273  26.780   7.446  1.00 14.66           C  
ATOM    685  CG1 VAL A  90      10.804  25.353   7.306  1.00 15.37           C  
ATOM    686  CG2 VAL A  90      12.692  26.838   8.023  1.00 14.95           C  
ATOM    687  N   CYS A  91       8.883  28.135   5.860  1.00 14.40           N  
ATOM    688  CA  CYS A  91       7.530  28.021   5.303  1.00 14.45           C  
ATOM    689  C   CYS A  91       7.587  28.263   3.785  1.00 14.75           C  
ATOM    690  O   CYS A  91       6.929  27.592   2.998  1.00 14.65           O  
ATOM    691  CB  CYS A  91       6.564  29.008   5.963  1.00 14.88           C  
ATOM    692  SG  CYS A  91       4.827  28.786   5.478  1.00 14.73           S  
ATOM    693  N   ASP A  92       8.354  29.239   3.355  1.00 16.49           N  
ATOM    694  CA  ASP A  92       8.428  29.511   1.932  1.00 17.29           C  
ATOM    695  C   ASP A  92       9.144  28.398   1.170  1.00 16.75           C  
ATOM    696  O   ASP A  92       8.750  28.090   0.051  1.00 16.74           O  
ATOM    697  CB  ASP A  92       9.091  30.834   1.667  1.00 18.85           C  
ATOM    698  CG  ASP A  92       8.133  31.816   1.016  1.00 25.10           C  
ATOM    699  OD1 ASP A  92       7.074  32.107   1.638  1.00 29.65           O  
ATOM    700  OD2 ASP A  92       8.330  32.275  -0.145  1.00 32.98           O  
ATOM    701  N   CYS A  93      10.192  27.832   1.775  1.00 15.64           N  
ATOM    702  CA  CYS A  93      10.900  26.705   1.185  1.00 15.64           C  
ATOM    703  C   CYS A  93       9.869  25.622   0.849  1.00 15.23           C  
ATOM    704  O   CYS A  93       9.809  25.103  -0.273  1.00 14.10           O  
ATOM    705  CB  CYS A  93      11.929  26.124   2.151  1.00 15.36           C  
ATOM    706  SG  CYS A  93      13.435  27.076   2.466  1.00 14.78           S  
ATOM    707  N   ASP A  94       9.077  25.262   1.861  1.00 15.17           N  
ATOM    708  CA  ASP A  94       8.065  24.213   1.753  1.00 15.38           C  
ATOM    709  C   ASP A  94       6.948  24.550   0.754  1.00 15.95           C  
ATOM    710  O   ASP A  94       6.529  23.698  -0.076  1.00 15.08           O  
ATOM    711  CB  ASP A  94       7.440  23.933   3.128  1.00 15.08           C  
ATOM    712  CG  ASP A  94       8.377  23.171   4.067  1.00 16.23           C  
ATOM    713  OD1 ASP A  94       9.514  22.799   3.654  1.00 15.79           O  
ATOM    714  OD2 ASP A  94       8.069  22.904   5.260  1.00 14.98           O  
ATOM    715  N   ARG A  95       6.414  25.762   0.863  1.00 16.12           N  
ATOM    716  CA  ARG A  95       5.360  26.244  -0.029  1.00 16.95           C  
ATOM    717  C   ARG A  95       5.763  26.171  -1.487  1.00 17.13           C  
ATOM    718  O   ARG A  95       5.021  25.641  -2.306  1.00 16.00           O  
ATOM    719  CB  ARG A  95       5.008  27.687   0.339  1.00 17.34           C  
ATOM    720  CG  ARG A  95       3.937  28.341  -0.547  1.00 20.63           C  
ATOM    721  CD  ARG A  95       3.579  29.765  -0.095  1.00 24.90           C  
ATOM    722  NE  ARG A  95       4.647  30.719  -0.410  1.00 28.92           N  
ATOM    723  CZ  ARG A  95       4.826  31.272  -1.605  1.00 30.66           C  
ATOM    724  NH1 ARG A  95       4.013  30.982  -2.604  1.00 30.71           N  
ATOM    725  NH2 ARG A  95       5.840  32.102  -1.815  1.00 34.03           N  
ATOM    726  N   LEU A  96       6.943  26.699  -1.807  1.00 17.19           N  
ATOM    727  CA  LEU A  96       7.428  26.685  -3.178  1.00 18.17           C  
ATOM    728  C   LEU A  96       7.661  25.270  -3.684  1.00 17.95           C  
ATOM    729  O   LEU A  96       7.397  24.979  -4.841  1.00 19.56           O  
ATOM    730  CB  LEU A  96       8.696  27.526  -3.314  1.00 18.71           C  
ATOM    731  CG  LEU A  96       8.506  29.024  -3.027  1.00 21.05           C  
ATOM    732  CD1 LEU A  96       9.809  29.791  -3.153  1.00 23.16           C  
ATOM    733  CD2 LEU A  96       7.475  29.633  -3.947  1.00 23.62           C  
ATOM    734  N   ALA A  97       8.150  24.384  -2.835  1.00 17.82           N  
ATOM    735  CA  ALA A  97       8.332  22.998  -3.237  1.00 18.09           C  
ATOM    736  C   ALA A  97       6.968  22.330  -3.524  1.00 18.27           C  
ATOM    737  O   ALA A  97       6.821  21.616  -4.521  1.00 18.89           O  
ATOM    738  CB  ALA A  97       9.075  22.244  -2.165  1.00 18.22           C  
ATOM    739  N   ALA A  98       5.985  22.548  -2.653  1.00 17.76           N  
ATOM    740  CA  ALA A  98       4.649  21.951  -2.841  1.00 18.85           C  
ATOM    741  C   ALA A  98       4.030  22.374  -4.161  1.00 19.49           C  
ATOM    742  O   ALA A  98       3.425  21.563  -4.881  1.00 20.63           O  
ATOM    743  CB  ALA A  98       3.739  22.318  -1.682  1.00 19.27           C  
ATOM    744  N   ILE A  99       4.181  23.652  -4.477  1.00 20.47           N  
ATOM    745  CA  ILE A  99       3.700  24.179  -5.739  1.00 21.36           C  
ATOM    746  C   ILE A  99       4.480  23.557  -6.894  1.00 21.48           C  
ATOM    747  O   ILE A  99       3.903  23.205  -7.931  1.00 22.03           O  
ATOM    748  CB  ILE A  99       3.816  25.699  -5.744  1.00 20.97           C  
ATOM    749  CG1 ILE A  99       2.841  26.270  -4.706  1.00 22.16           C  
ATOM    750  CG2 ILE A  99       3.543  26.250  -7.138  1.00 23.73           C  
ATOM    751  CD1 ILE A  99       2.971  27.732  -4.508  1.00 22.47           C  
ATOM    752  N   CYS A 100       5.786  23.398  -6.703  1.00 21.10           N  
ATOM    753  CA  CYS A 100       6.651  22.821  -7.730  1.00 21.46           C  
ATOM    754  C   CYS A 100       6.221  21.375  -8.023  1.00 21.40           C  
ATOM    755  O   CYS A 100       6.137  20.975  -9.196  1.00 21.71           O  
ATOM    756  CB  CYS A 100       8.124  22.900  -7.293  1.00 20.74           C  
ATOM    757  SG  CYS A 100       9.350  22.509  -8.580  1.00 22.17           S  
ATOM    758  N   PHE A 101       5.921  20.613  -6.968  1.00 21.16           N  
ATOM    759  CA  PHE A 101       5.511  19.214  -7.074  1.00 21.83           C  
ATOM    760  C   PHE A 101       4.212  19.080  -7.885  1.00 23.53           C  
ATOM    761  O   PHE A 101       4.033  18.131  -8.650  1.00 23.11           O  
ATOM    762  CB  PHE A 101       5.243  18.603  -5.695  1.00 22.21           C  
ATOM    763  CG  PHE A 101       6.465  18.356  -4.854  1.00 20.80           C  
ATOM    764  CD1 PHE A 101       7.722  18.739  -5.271  1.00 21.27           C  
ATOM    765  CD2 PHE A 101       6.336  17.740  -3.630  1.00 20.85           C  
ATOM    766  CE1 PHE A 101       8.811  18.522  -4.470  1.00 21.78           C  
ATOM    767  CE2 PHE A 101       7.432  17.507  -2.833  1.00 21.60           C  
ATOM    768  CZ  PHE A 101       8.667  17.893  -3.256  1.00 20.60           C  
ATOM    769  N   ALA A 102       3.303  20.028  -7.692  1.00 24.92           N  
ATOM    770  CA  ALA A 102       2.006  20.003  -8.364  1.00 25.95           C  
ATOM    771  C   ALA A 102       2.124  20.206  -9.875  1.00 26.96           C  
ATOM    772  O   ALA A 102       1.265  19.759 -10.634  1.00 28.33           O  
ATOM    773  CB  ALA A 102       1.096  21.047  -7.770  1.00 25.81           C  
ATOM    774  N   GLY A 103       3.178  20.874 -10.314  1.00 28.18           N  
ATOM    775  CA  GLY A 103       3.374  21.126 -11.728  1.00 29.44           C  
ATOM    776  C   GLY A 103       4.337  20.181 -12.417  1.00 30.51           C  
ATOM    777  O   GLY A 103       4.519  20.278 -13.627  1.00 31.31           O  
ATOM    778  N   ALA A 104       4.963  19.282 -11.666  1.00 30.56           N  
ATOM    779  CA  ALA A 104       5.957  18.381 -12.242  1.00 31.23           C  
ATOM    780  C   ALA A 104       5.396  16.991 -12.561  1.00 31.32           C  
ATOM    781  O   ALA A 104       4.562  16.468 -11.842  1.00 30.89           O  
ATOM    782  CB  ALA A 104       7.149  18.259 -11.323  1.00 31.29           C  
ATOM    783  N   PRO A 105       5.844  16.421 -13.673  1.00 32.36           N  
ATOM    784  CA  PRO A 105       5.472  15.060 -14.064  1.00 32.82           C  
ATOM    785  C   PRO A 105       6.036  14.019 -13.113  1.00 32.98           C  
ATOM    786  O   PRO A 105       7.182  14.169 -12.682  1.00 32.76           O  
ATOM    787  CB  PRO A 105       6.129  14.914 -15.441  1.00 33.02           C  
ATOM    788  CG  PRO A 105       6.339  16.297 -15.890  1.00 33.34           C  
ATOM    789  CD  PRO A 105       6.692  17.064 -14.685  1.00 32.46           C  
ATOM    790  N   TYR A 106       5.250  12.996 -12.786  1.00 32.72           N  
ATOM    791  CA  TYR A 106       5.706  11.944 -11.886  1.00 33.06           C  
ATOM    792  C   TYR A 106       6.037  10.661 -12.666  1.00 33.62           C  
ATOM    793  O   TYR A 106       5.153  10.048 -13.262  1.00 34.32           O  
ATOM    794  CB  TYR A 106       4.660  11.665 -10.815  1.00 32.80           C  
ATOM    795  CG  TYR A 106       5.163  10.766  -9.715  1.00 31.53           C  
ATOM    796  CD1 TYR A 106       5.298   9.398  -9.916  1.00 30.59           C  
ATOM    797  CD2 TYR A 106       5.516  11.281  -8.478  1.00 29.01           C  
ATOM    798  CE1 TYR A 106       5.750   8.579  -8.923  1.00 29.00           C  
ATOM    799  CE2 TYR A 106       5.960  10.462  -7.475  1.00 29.05           C  
ATOM    800  CZ  TYR A 106       6.093   9.109  -7.706  1.00 28.27           C  
ATOM    801  OH  TYR A 106       6.552   8.272  -6.720  1.00 25.34           O  
ATOM    802  N   ASN A 107       7.309  10.269 -12.652  1.00 33.15           N  
ATOM    803  CA  ASN A 107       7.772   9.075 -13.354  1.00 33.44           C  
ATOM    804  C   ASN A 107       7.984   7.961 -12.360  1.00 33.13           C  
ATOM    805  O   ASN A 107       8.945   8.003 -11.587  1.00 32.03           O  
ATOM    806  CB  ASN A 107       9.091   9.357 -14.086  1.00 33.65           C  
ATOM    807  CG  ASN A 107       9.587   8.159 -14.920  1.00 36.44           C  
ATOM    808  OD1 ASN A 107       9.203   6.993 -14.695  1.00 38.78           O  
ATOM    809  ND2 ASN A 107      10.443   8.448 -15.885  1.00 38.82           N  
ATOM    810  N   ASP A 108       7.097   6.960 -12.394  1.00 32.96           N  
ATOM    811  CA  ASP A 108       7.170   5.811 -11.486  1.00 33.25           C  
ATOM    812  C   ASP A 108       8.562   5.131 -11.523  1.00 31.84           C  
ATOM    813  O   ASP A 108       8.993   4.508 -10.542  1.00 32.22           O  
ATOM    814  CB  ASP A 108       6.066   4.773 -11.807  1.00 33.92           C  
ATOM    815  CG  ASP A 108       4.640   5.287 -11.558  1.00 37.25           C  
ATOM    816  OD1 ASP A 108       4.425   6.244 -10.776  1.00 42.46           O  
ATOM    817  OD2 ASP A 108       3.640   4.749 -12.093  1.00 40.31           O  
ATOM    818  N   ALA A 109       9.269   5.261 -12.638  1.00 30.73           N  
ATOM    819  CA  ALA A 109      10.587   4.644 -12.805  1.00 30.45           C  
ATOM    820  C   ALA A 109      11.665   5.278 -11.915  1.00 29.90           C  
ATOM    821  O   ALA A 109      12.683   4.654 -11.613  1.00 29.72           O  
ATOM    822  CB  ALA A 109      11.013   4.725 -14.249  1.00 30.79           C  
ATOM    823  N   ASN A 110      11.421   6.511 -11.490  1.00 29.08           N  
ATOM    824  CA  ASN A 110      12.378   7.245 -10.680  1.00 28.20           C  
ATOM    825  C   ASN A 110      12.108   7.176  -9.189  1.00 27.43           C  
ATOM    826  O   ASN A 110      12.804   7.831  -8.402  1.00 26.57           O  
ATOM    827  CB  ASN A 110      12.439   8.694 -11.156  1.00 28.26           C  
ATOM    828  CG  ASN A 110      13.176   8.829 -12.462  1.00 28.43           C  
ATOM    829  OD1 ASN A 110      14.108   8.067 -12.733  1.00 28.54           O  
ATOM    830  ND2 ASN A 110      12.786   9.808 -13.277  1.00 28.96           N  
ATOM    831  N   TYR A 111      11.100   6.400  -8.795  1.00 27.04           N  
ATOM    832  CA  TYR A 111      10.784   6.200  -7.376  1.00 26.88           C  
ATOM    833  C   TYR A 111      11.721   5.125  -6.803  1.00 26.47           C  
ATOM    834  O   TYR A 111      11.970   4.122  -7.470  1.00 26.63           O  
ATOM    835  CB  TYR A 111       9.318   5.775  -7.189  1.00 27.04           C  
ATOM    836  CG  TYR A 111       8.947   5.460  -5.751  1.00 28.22           C  
ATOM    837  CD1 TYR A 111       8.671   6.470  -4.847  1.00 30.12           C  
ATOM    838  CD2 TYR A 111       8.883   4.150  -5.303  1.00 30.59           C  
ATOM    839  CE1 TYR A 111       8.343   6.183  -3.538  1.00 32.26           C  
ATOM    840  CE2 TYR A 111       8.549   3.857  -4.008  1.00 33.16           C  
ATOM    841  CZ  TYR A 111       8.283   4.874  -3.122  1.00 33.25           C  
ATOM    842  OH  TYR A 111       7.946   4.562  -1.817  1.00 36.83           O  
ATOM    843  N   ASN A 112      12.247   5.358  -5.599  1.00 25.81           N  
ATOM    844  CA  ASN A 112      13.139   4.430  -4.906  1.00 26.27           C  
ATOM    845  C   ASN A 112      14.314   3.936  -5.766  1.00 25.92           C  
ATOM    846  O   ASN A 112      14.540   2.720  -5.891  1.00 26.13           O  
ATOM    847  CB  ASN A 112      12.327   3.234  -4.386  1.00 26.32           C  
ATOM    848  CG  ASN A 112      13.120   2.315  -3.455  1.00 27.94           C  
ATOM    849  OD1 ASN A 112      12.944   1.107  -3.496  1.00 29.94           O  
ATOM    850  ND2 ASN A 112      13.959   2.883  -2.594  1.00 30.14           N  
ATOM    851  N   ILE A 113      15.070   4.868  -6.339  1.00 25.01           N  
ATOM    852  CA  ILE A 113      16.230   4.503  -7.139  1.00 24.50           C  
ATOM    853  C   ILE A 113      17.413   4.248  -6.225  1.00 24.29           C  
ATOM    854  O   ILE A 113      17.394   4.630  -5.058  1.00 22.70           O  
ATOM    855  CB  ILE A 113      16.570   5.566  -8.209  1.00 24.81           C  
ATOM    856  CG1 ILE A 113      16.924   6.912  -7.579  1.00 25.14           C  
ATOM    857  CG2 ILE A 113      15.421   5.734  -9.160  1.00 25.38           C  
ATOM    858  CD1 ILE A 113      17.504   7.898  -8.570  1.00 26.50           C  
ATOM    859  N   ASP A 114      18.443   3.597  -6.763  1.00 23.45           N  
ATOM    860  CA  ASP A 114      19.629   3.261  -5.985  1.00 24.15           C  
ATOM    861  C   ASP A 114      20.550   4.473  -5.848  1.00 24.24           C  
ATOM    862  O   ASP A 114      21.329   4.762  -6.756  1.00 23.04           O  
ATOM    863  CB  ASP A 114      20.354   2.117  -6.693  1.00 24.55           C  
ATOM    864  CG  ASP A 114      21.512   1.580  -5.901  1.00 26.04           C  
ATOM    865  OD1 ASP A 114      21.993   0.475  -6.265  1.00 26.26           O  
ATOM    866  OD2 ASP A 114      22.009   2.174  -4.922  1.00 28.43           O  
ATOM    867  N   LEU A 115      20.443   5.174  -4.716  1.00 24.71           N  
ATOM    868  CA  LEU A 115      21.186   6.407  -4.463  1.00 25.27           C  
ATOM    869  C   LEU A 115      22.695   6.226  -4.543  1.00 25.12           C  
ATOM    870  O   LEU A 115      23.374   7.027  -5.176  1.00 25.02           O  
ATOM    871  CB  LEU A 115      20.833   6.979  -3.086  1.00 26.33           C  
ATOM    872  CG  LEU A 115      19.354   7.196  -2.767  1.00 28.66           C  
ATOM    873  CD1 LEU A 115      19.210   7.725  -1.328  1.00 31.20           C  
ATOM    874  CD2 LEU A 115      18.742   8.164  -3.750  1.00 30.14           C  
ATOM    875  N   LYS A 116      23.212   5.164  -3.928  1.00 24.80           N  
ATOM    876  CA  LYS A 116      24.656   4.898  -3.934  1.00 25.03           C  
ATOM    877  C   LYS A 116      25.239   4.738  -5.327  1.00 24.12           C  
ATOM    878  O   LYS A 116      26.380   5.145  -5.578  1.00 24.33           O  
ATOM    879  CB  LYS A 116      24.983   3.653  -3.096  1.00 25.79           C  
ATOM    880  CG  LYS A 116      26.485   3.399  -2.924  1.00 29.52           C  
ATOM    881  CD  LYS A 116      26.778   2.225  -1.990  1.00 33.84           C  
ATOM    882  CE  LYS A 116      28.275   1.938  -1.886  1.00 36.37           C  
ATOM    883  NZ  LYS A 116      28.842   1.395  -3.180  1.00 39.46           N  
ATOM    884  N   ALA A 117      24.472   4.173  -6.251  1.00 23.11           N  
ATOM    885  CA  ALA A 117      24.988   3.932  -7.600  1.00 23.08           C  
ATOM    886  C   ALA A 117      24.649   5.030  -8.621  1.00 23.02           C  
ATOM    887  O   ALA A 117      25.386   5.242  -9.593  1.00 21.74           O  
ATOM    888  CB  ALA A 117      24.496   2.613  -8.095  1.00 23.80           C  
ATOM    889  N   ARG A 118      23.551   5.741  -8.403  1.00 22.88           N  
ATOM    890  CA  ARG A 118      23.107   6.687  -9.417  1.00 23.82           C  
ATOM    891  C   ARG A 118      23.156   8.163  -9.006  1.00 24.12           C  
ATOM    892  O   ARG A 118      22.869   9.036  -9.821  1.00 23.69           O  
ATOM    893  CB  ARG A 118      21.692   6.309  -9.838  1.00 24.05           C  
ATOM    894  CG  ARG A 118      21.592   4.859 -10.293  1.00 26.08           C  
ATOM    895  CD  ARG A 118      20.194   4.390 -10.567  1.00 27.59           C  
ATOM    896  NE  ARG A 118      19.553   5.133 -11.648  1.00 28.44           N  
ATOM    897  CZ  ARG A 118      18.277   4.994 -11.974  1.00 30.15           C  
ATOM    898  NH1 ARG A 118      17.518   4.132 -11.317  1.00 30.28           N  
ATOM    899  NH2 ARG A 118      17.753   5.709 -12.964  1.00 32.25           N  
ATOM    900  N   CYS A 119      23.516   8.447  -7.767  1.00 24.64           N  
ATOM    901  CA  CYS A 119      23.468   9.834  -7.295  1.00 26.16           C  
ATOM    902  C   CYS A 119      24.777  10.386  -6.752  1.00 28.72           C  
ATOM    903  O   CYS A 119      24.763  11.243  -5.897  1.00 30.29           O  
ATOM    904  CB  CYS A 119      22.406   9.970  -6.220  1.00 25.66           C  
ATOM    905  SG  CYS A 119      20.776   9.498  -6.800  1.00 21.78           S  
ATOM    906  N   ASN A 120      25.915   9.925  -7.236  1.00 31.61           N  
ATOM    907  CA  ASN A 120      27.159  10.509  -6.736  1.00 33.83           C  
ATOM    908  C   ASN A 120      28.084  10.992  -7.835  1.00 34.85           C  
ATOM    909  O   ASN A 120      28.377  12.192  -7.892  1.00 36.23           O  
ATOM    910  CB  ASN A 120      27.876   9.587  -5.741  1.00 34.47           C  
ATOM    911  CG  ASN A 120      27.880   8.147  -6.165  1.00 36.59           C  
ATOM    912  OD1 ASN A 120      27.935   7.246  -5.312  1.00 40.77           O  
ATOM    913  ND2 ASN A 120      27.840   7.904  -7.476  1.00 39.59           N  
TER     914      ASN A 120                                                      
HETATM  915  O1  AIN A 141      13.907  16.130   0.624  0.50 28.52           O  
HETATM  916  C7  AIN A 141      13.254  15.778   1.723  0.50 32.12           C  
HETATM  917  O2  AIN A 141      13.911  15.759   2.749  0.50 32.90           O  
HETATM  918  C3  AIN A 141      11.830  15.316   1.664  0.50 32.34           C  
HETATM  919  C4  AIN A 141      11.114  15.381   0.456  0.50 32.08           C  
HETATM  920  C5  AIN A 141       9.774  15.001   0.429  0.50 31.39           C  
HETATM  921  C6  AIN A 141       9.120  14.601   1.580  0.50 31.52           C  
HETATM  922  C1  AIN A 141       9.752  14.568   2.802  0.50 32.96           C  
HETATM  923  C2  AIN A 141      11.088  14.922   2.923  0.50 33.22           C  
HETATM  924  O3  AIN A 141      11.823  14.906   4.090  0.50 35.01           O  
HETATM  925  C8  AIN A 141      12.477  13.770   4.769  0.50 35.75           C  
HETATM  926  O4  AIN A 141      12.686  13.870   5.971  0.50 37.46           O  
HETATM  927  C9  AIN A 141      12.890  12.509   4.056  0.50 36.44           C  
HETATM  928 CA    CA A 201      16.636  15.477   0.293  1.00  3.39          CA  
HETATM  929  O   HOH A 202      14.820   7.470  -5.141  1.00 24.48           O  
HETATM  930  O   HOH A 203       9.265  22.330   7.579  1.00 16.42           O  
HETATM  931  O   HOH A 204      15.827  10.497  -2.871  1.00 30.39           O  
HETATM  932  O   HOH A 205       4.429  17.435  14.705  1.00 63.97           O  
HETATM  933  O   HOH A 206       8.857  31.019  16.759  1.00 48.65           O  
HETATM  934  O   HOH A 207      -1.077  28.189  -3.529  1.00 26.25           O  
HETATM  935  O   HOH A 208       6.920  33.147   4.209  1.00 32.79           O  
HETATM  936  O   HOH A 209      13.218  36.514   6.669  1.00 64.64           O  
HETATM  937  O   HOH A 210      -0.293  14.251  -1.389  1.00 40.42           O  
HETATM  938  O   HOH A 211      -1.779  12.549 -10.126  1.00 68.44           O  
HETATM  939  O   HOH A 212       6.686  22.361 -11.629  1.00 48.03           O  
HETATM  940  O   HOH A 213      -4.332  30.321   2.047  1.00 30.89           O  
HETATM  941  O   HOH A 214       5.725  34.170   6.564  1.00 33.35           O  
HETATM  942  O   HOH A 215      -3.769  30.926  -5.199  1.00 51.63           O  
HETATM  943  O   HOH A 216      -4.281  10.454  -2.652  1.00 71.00           O  
HETATM  944  O   HOH A 217      -0.627   7.599  -5.039  1.00 43.66           O  
HETATM  945  O   HOH A 218      18.802  19.485   3.194  1.00 37.63           O  
HETATM  946  O   HOH A 219       7.947  27.579  16.634  1.00 43.19           O  
HETATM  947  O   HOH A 220       2.099  13.127 -13.330  1.00 56.50           O  
HETATM  948  O   HOH A 221      21.510  11.059 -11.062  1.00 34.32           O  
HETATM  949  O   HOH A 222      15.651   8.390 -15.028  1.00 49.98           O  
HETATM  950  O   HOH A 223       6.315  13.451  12.769  1.00 70.97           O  
HETATM  951  O   HOH A 224       1.370  30.489  -2.683  1.00 49.74           O  
HETATM  952  O   HOH A 225      10.156  15.548  11.878  1.00 44.65           O  
HETATM  953  O   HOH A 226       1.417  27.281  13.553  1.00 37.86           O  
HETATM  954  O   HOH A 227      15.835   8.813   0.039  1.00 49.62           O  
HETATM  955  O   HOH A 228       6.933  16.865  12.003  1.00 54.33           O  
HETATM  956  O   HOH A 229      12.357  30.310  -0.683  1.00 40.37           O  
HETATM  957  O   HOH A 230      -3.860  16.264  -7.356  1.00 53.37           O  
HETATM  958  O   HOH A 231      24.461  11.871 -10.273  1.00 36.09           O  
HETATM  959  O   HOH A 232      18.745  15.378   2.168  1.00 52.96           O  
HETATM  960  O   HOH A 233       8.449  19.758  15.381  1.00 53.16           O  
HETATM  961  O   HOH A 234      21.899  27.172  15.253  1.00 39.20           O  
HETATM  962  O   HOH A 235      22.852   8.258 -12.712  1.00 51.34           O  
HETATM  963  O   HOH A 236       4.712  21.119  16.563  1.00 49.57           O  
HETATM  964  O   HOH A 237       5.263   5.718  -6.656  1.00 52.05           O  
HETATM  965  O   HOH A 238       7.564  32.305  14.528  1.00 27.84           O  
HETATM  966  O   HOH A 239      -4.134  24.008  -4.590  1.00 67.81           O  
HETATM  967  O   HOH A 240       9.243   2.320 -14.333  1.00 54.08           O  
HETATM  968  O   HOH A 241      19.712  24.653  16.292  1.00 37.46           O  
HETATM  969  O   HOH A 242      22.559  19.748 -10.031  1.00 40.96           O  
HETATM  970  O   HOH A 243      14.559   5.013   1.028  1.00 65.90           O  
HETATM  971  O   HOH A 244       2.678  32.868   1.368  1.00 26.94           O  
HETATM  972  O   HOH A 245      -2.593  19.001  -8.184  1.00 42.40           O  
HETATM  973  O   HOH A 246      10.174  12.123 -15.224  1.00 44.83           O  
HETATM  974  O   HOH A 247       5.591   2.577  -3.370  1.00 70.16           O  
HETATM  975  O   HOH A 248      25.802  12.675 -13.603  1.00 39.43           O  
HETATM  976  O   HOH A 249      16.007  29.411   3.101  1.00 29.71           O  
HETATM  977  O   HOH A 250       5.886  19.062  20.001  1.00 67.78           O  
HETATM  978  O   HOH A 251       8.690  26.948  -7.417  1.00 70.40           O  
HETATM  979  O   HOH A 252      13.345  18.053  -0.872  1.00 33.76           O  
HETATM  980  O   HOH A 253      -1.189  14.470   7.929  1.00 30.52           O  
HETATM  981  O   HOH A 254      21.443  11.422  -2.976  1.00 32.03           O  
HETATM  982  O   HOH A 255      20.224  26.263  -5.742  1.00 28.65           O  
HETATM  983  O   HOH A 256      12.411  27.751  -3.107  1.00 41.98           O  
HETATM  984  O   HOH A 257      21.080  20.836  -0.424  1.00 25.78           O  
HETATM  985  O   HOH A 258      11.553  21.600 -11.380  1.00 32.64           O  
HETATM  986  O   HOH A 259      22.773  28.453  12.667  1.00 42.23           O  
HETATM  987  O   HOH A 260      17.618  19.463   6.680  1.00 66.76           O  
HETATM  988  O   HOH A 261      23.554  -1.104  -1.329  1.00 49.47           O  
HETATM  989  O   HOH A 262      -7.513  30.833   0.936  1.00 54.87           O  
HETATM  990  O   HOH A 263      28.543  12.349 -12.252  1.00 52.77           O  
HETATM  991  O   HOH A 264      26.294   8.041  -9.795  1.00 35.19           O  
HETATM  992  O   HOH A 265      -0.568  26.785  10.781  1.00 28.52           O  
HETATM  993  O   HOH A 266      11.291  15.802 -16.211  1.00 50.70           O  
HETATM  994  O   HOH A 267      16.130   5.151  -2.849  1.00 32.75           O  
HETATM  995  O   HOH A 268      20.874  22.742 -10.425  1.00 34.12           O  
HETATM  996  O   HOH A 269      11.275  23.544  -4.740  1.00 24.15           O  
HETATM  997  O   HOH A 270      26.055  28.474  -1.558  1.00 17.30           O  
HETATM  998  O   HOH A 271       8.227  22.505  16.938  1.00 61.73           O  
HETATM  999  O   HOH A 272      11.527  25.044  -7.596  1.00 34.92           O  
HETATM 1000  O   HOH A 273      16.262  15.350 -16.477  1.00 62.58           O  
HETATM 1001  O   HOH A 274      -7.068  23.651  -0.749  1.00 41.88           O  
HETATM 1002  O   HOH A 275      23.938  25.291   6.007  1.00 31.03           O  
HETATM 1003  O   HOH A 276      13.299  30.539   2.123  1.00 24.93           O  
HETATM 1004  O   HOH A 277       3.218  20.272  13.867  1.00 47.40           O  
HETATM 1005  O   HOH A 278      14.874   5.296 -13.355  1.00 28.19           O  
HETATM 1006  O   HOH A 279      -6.653  20.695  -1.543  1.00 46.09           O  
HETATM 1007  O   HOH A 280      11.789  25.002  -2.211  1.00 23.25           O  
HETATM 1008  O   HOH A 281      -2.651  22.045  -6.689  1.00 54.71           O  
HETATM 1009  O   HOH A 282      10.219   2.371  -0.761  1.00 62.05           O  
HETATM 1010  O   HOH A 283     -10.499  24.478   1.664  1.00 30.65           O  
HETATM 1011  O   HOH A 284      20.087  17.441   6.123  1.00 48.21           O  
HETATM 1012  O   HOH A 285      23.740  33.971   4.806  1.00 84.36           O  
HETATM 1013  O   HOH A 286       9.245  15.416  15.546  1.00 60.35           O  
HETATM 1014  O   HOH A 287      26.203  16.656  -4.584  1.00 68.79           O  
HETATM 1015  O   HOH A 288      11.799  27.964  -6.231  1.00 66.58           O  
HETATM 1016  O   HOH A 289      18.744   3.300  -2.300  1.00 45.07           O  
HETATM 1017  O   HOH A 290       6.602  34.427  16.200  1.00 71.38           O  
HETATM 1018  O   HOH A 291      10.951   2.270  -9.277  1.00 51.87           O  
HETATM 1019  O   HOH A 292       6.796   1.443   0.292  1.00 69.53           O  
HETATM 1020  O   HOH A 293      21.123  -0.494  -2.820  1.00 67.66           O  
HETATM 1021  O   HOH A 294       9.158  22.372 -12.902  1.00 60.41           O  
HETATM 1022  O   HOH A 295       8.860  33.766  -1.881  1.00 44.50           O  
HETATM 1023  O   HOH A 296       5.154  13.344   9.846  1.00 56.61           O  
HETATM 1024  O   HOH A 297      13.889  33.508   2.870  1.00 57.94           O  
HETATM 1025  O   HOH A 298      20.786  17.816  -0.298  1.00 46.93           O  
HETATM 1026  O   HOH A 299      23.340  19.732  -4.583  1.00 50.16           O  
HETATM 1027  O   HOH A 300       9.090  17.532  13.246  1.00 47.72           O  
HETATM 1028  O   HOH A 301       1.669  14.071  -9.403  1.00 33.39           O  
HETATM 1029  O   HOH A 302      29.143   2.424  -5.629  1.00 59.67           O  
HETATM 1030  O   HOH A 303       4.304  15.474  -9.491  1.00 30.22           O  
HETATM 1031  O   HOH A 304      21.726   2.957  -2.421  1.00 51.23           O  
HETATM 1032  O   HOH A 305      24.439   2.680   0.089  1.00 54.84           O  
HETATM 1033  O   HOH A 306       0.073  24.115  11.502  1.00 24.57           O  
CONECT   96  567                                                                
CONECT  217  905                                                                
CONECT  221  928                                                                
CONECT  235  342                                                                
CONECT  239  928                                                                
CONECT  252  928                                                                
CONECT  336  757                                                                
CONECT  342  235                                                                
CONECT  375  928                                                                
CONECT  376  928                                                                
CONECT  390  706                                                                
CONECT  465  663                                                                
CONECT  567   96                                                                
CONECT  615  692                                                                
CONECT  663  465                                                                
CONECT  692  615                                                                
CONECT  706  390                                                                
CONECT  757  336                                                                
CONECT  905  217                                                                
CONECT  915  916  928                                                           
CONECT  916  915  917  918                                                      
CONECT  917  916                                                                
CONECT  918  916  919  923                                                      
CONECT  919  918  920                                                           
CONECT  920  919  921                                                           
CONECT  921  920  922                                                           
CONECT  922  921  923                                                           
CONECT  923  918  922  924                                                      
CONECT  924  923  925                                                           
CONECT  925  924  926  927                                                      
CONECT  926  925                                                                
CONECT  927  925                                                                
CONECT  928  221  239  252  375                                                 
CONECT  928  376  915  959                                                      
CONECT  959  928                                                                
MASTER      324    0    2    6    4    0    5    6 1032    1   35   10          
END                                                                             



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.