CNRS Nantes University UFIP UFIP
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***  kbrassea  ***

elNémo ID: 21021015185130990

Job options:

ID        	=	 21021015185130990
JOBID     	=	 kbrassea
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 kbrassea

HEADER    CALCIUM-BINDING PROTEIN                 25-SEP-91   5PAL              
TITLE     CRYSTAL STRUCTURE OF THE UNIQUE PARVALBUMIN COMPONENT FROM MUSCLE OF  
TITLE    2 THE LEOPARD SHARK (TRIAKIS SEMIFASCIATA). THE FIRST X-RAY STUDY OF AN
TITLE    3 ALPHA-PARVALBUMIN                                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PARVALBUMIN;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: TRIAKIS SEMIFASCIATA;                           
SOURCE   3 ORGANISM_COMMON: LEOPARD SHARK;                                      
SOURCE   4 ORGANISM_TAXID: 30493                                                
KEYWDS    CALCIUM-BINDING PROTEIN                                               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    F.ROQUET,J.-P.DECLERCQ,B.TINANT,J.RAMBAUD,J.PARELLO                   
REVDAT   4   29-NOV-17 5PAL    1       REMARK HELIX                             
REVDAT   3   24-FEB-09 5PAL    1       VERSN                                    
REVDAT   2   01-APR-03 5PAL    1       JRNL                                     
REVDAT   1   31-OCT-93 5PAL    0                                                
JRNL        AUTH   F.ROQUET,J.P.DECLERCQ,B.TINANT,J.RAMBAUD,J.PARELLO           
JRNL        TITL   CRYSTAL STRUCTURE OF THE UNIQUE PARVALBUMIN COMPONENT FROM   
JRNL        TITL 2 MUSCLE OF THE LEOPARD SHARK (TRIAKIS SEMIFASCIATA). THE      
JRNL        TITL 3 FIRST X-RAY STUDY OF AN ALPHA-PARVALBUMIN.                   
JRNL        REF    J.MOL.BIOL.                   V. 223   705 1992              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   1542115                                                      
JRNL        DOI    10.1016/0022-2836(92)90985-S                                 
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   J.-P.DECLERCQ,B.TINANT,J.PARELLO,J.RAMBAUD                   
REMARK   1  TITL   IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE      
REMARK   1  TITL 2 DETERMINATION OF PIKE 4(DOT)10 PARVALBUMIN IN FOUR DIFFERENT 
REMARK   1  TITL 3 IONIC ENVIRONMENTS                                           
REMARK   1  REF    J.MOL.BIOL.                   V. 220  1017 1991              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   J.-P.DECLERCQ,B.TINANT,J.PARELLO,G.ETIENNE,H.HUBER           
REMARK   1  TITL   CRYSTAL STRUCTURE DETERMINATION AND REFINEMENT OF PIKE 4.10  
REMARK   1  TITL 2 PARVALBUMIN (MINOR COMPONENT FROM ESOX LUCIUS)               
REMARK   1  REF    J.MOL.BIOL.                   V. 202   349 1988              
REMARK   1  REFN                   ISSN 0022-2836                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.54 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.54                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL                           
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL                           
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : NULL                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.173                           
REMARK   3   FREE R VALUE                     : NULL                            
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL                         
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL                         
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL                         
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 841                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 2                                       
REMARK   3   SOLVENT ATOMS            : 92                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED COORDINATE ERROR.                                         
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL                            
REMARK   3   ESD FROM SIGMAA              (A) : NULL                            
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL                            
REMARK   3                                                                      
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.                         
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL                            
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL                            
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   BOND LENGTHS                 (A) : 0.011                           
REMARK   3   BOND ANGLES            (DEGREES) : 2.330                           
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL                            
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL                            
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL MODEL : NULL                                      
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  NCS MODEL : NULL                                                    
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT          
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL                 
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  PARAMETER FILE  1  : NULL                                           
REMARK   3  TOPOLOGY FILE  1   : NULL                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 5PAL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000179751.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : NULL                               
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : NULL                               
REMARK 200  RADIATION SOURCE               : NULL                               
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : NULL                               
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : NULL                               
REMARK 200  DETECTOR MANUFACTURER          : NULL                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL                               
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL                               
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: X-PLOR                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 33.74                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+2/3                                           
REMARK 290       6555   -X,-X+Y,-Z+1/3                                          
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       49.66667            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       99.33333            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       99.33333            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       49.66667            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 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 480                                                                      
REMARK 480 ZERO OCCUPANCY ATOM                                                  
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 480   M RES C SSEQI ATOMS                                                
REMARK 480     PRO A    1   CB   CG                                             
REMARK 480     LYS A    4   CE   NZ                                             
REMARK 480     LYS A    7   NZ                                                  
REMARK 480     LYS A   13   CE   NZ                                             
REMARK 480     LYS A   44   CE   NZ                                             
REMARK 480     LYS A   52   NZ                                                  
REMARK 480     GLU A   61   CD   OE1  OE2                                       
REMARK 480     LYS A   64   NZ                                                  
REMARK 480     ASP A   79   OD2                                                 
REMARK 480     LYS A   83   CE   NZ                                             
REMARK 480     LYS A  104   NZ                                                  
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    HIS A  93   NE2   HIS A  93   CD2    -0.067                       
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    ARG A  28   NE  -  CZ  -  NH1 ANGL. DEV. =   4.7 DEGREES          
REMARK 500    ARG A  28   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.2 DEGREES          
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 110  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A  90   OD1                                                    
REMARK 620 2 ASP A  92   OD1  84.3                                              
REMARK 620 3 GLU A 101   OE1 112.1 122.2                                        
REMARK 620 4 GLU A 101   OE2  89.5  78.2  48.7                                  
REMARK 620 5 LYS A  96   O    86.8 157.5  80.4 122.4                            
REMARK 620 6 HOH A 246   O   164.0  98.9  79.6 106.5  84.5                      
REMARK 620 7 ASP A  94   OD1  85.2  81.3 150.9 159.3  77.3  79.8                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A 111  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 ASP A  51   OD1                                                    
REMARK 620 2 PHE A  57   O    82.0                                              
REMARK 620 3 GLU A  59   OE1 165.1  84.7                                        
REMARK 620 4 GLU A  62   OE2  99.6 130.0  94.1                                  
REMARK 620 5 ASP A  53   OD1  84.6 152.0 104.5  76.5                            
REMARK 620 6 SER A  55   OG   88.5  77.3  82.0 152.2  77.9                      
REMARK 620 7 GLU A  62   OE1 101.4  81.1  83.0  49.4 125.8 154.7                
REMARK 620 N                    1     2     3     4     5     6                 
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: CD                                                  
REMARK 800 EVIDENCE_CODE: AUTHOR                                                
REMARK 800 SITE_DESCRIPTION: CATION BINDING SITE OCCUPIED BY CA 111             
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: EF                                                  
REMARK 800 EVIDENCE_CODE: AUTHOR                                                
REMARK 800 SITE_DESCRIPTION: CATION BINDING SITE OCCUPIED BY CA 110             
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 110                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 111                  
DBREF  5PAL A    1   109  UNP    P30563   PRVA_TRISE       1    109             
SEQRES   1 A  109  PRO MET THR LYS VAL LEU LYS ALA ASP ASP ILE ASN LYS          
SEQRES   2 A  109  ALA ILE SER ALA PHE LYS ASP PRO GLY THR PHE ASP TYR          
SEQRES   3 A  109  LYS ARG PHE PHE HIS LEU VAL GLY LEU LYS GLY LYS THR          
SEQRES   4 A  109  ASP ALA GLN VAL LYS GLU VAL PHE GLU ILE LEU ASP LYS          
SEQRES   5 A  109  ASP GLN SER GLY PHE ILE GLU GLU GLU GLU LEU LYS GLY          
SEQRES   6 A  109  VAL LEU LYS GLY PHE SER ALA HIS GLY ARG ASP LEU ASN          
SEQRES   7 A  109  ASP THR GLU THR LYS ALA LEU LEU ALA ALA GLY ASP SER          
SEQRES   8 A  109  ASP HIS ASP GLY LYS ILE GLY ALA ASP GLU PHE ALA LYS          
SEQRES   9 A  109  MET VAL ALA GLN ALA                                          
HET     CA  A 110       1                                                       
HET     CA  A 111       1                                                       
HETNAM      CA CALCIUM ION                                                      
FORMUL   2   CA    2(CA 2+)                                                     
FORMUL   4  HOH   *92(H2 O)                                                     
HELIX    1   A ALA A    8  ALA A   17  1                                  10    
HELIX    2   B TYR A   26  VAL A   33  1                                   8    
HELIX    3   C ASP A   40  LEU A   50  1                                  11    
HELIX    4   D GLU A   60  PHE A   70  1BENDING AT RESIDUE 65             11    
HELIX    5   E ASP A   79  GLY A   89  1                                  11    
HELIX    6   F ALA A   99  ALA A  109  1                                  11    
SHEET    1   A 2 PHE A  57  ILE A  58  0                                        
SHEET    2   A 2 ILE A  97  GLY A  98 -1  O  ILE A  97   N  ILE A  58           
LINK        CA    CA A 110                 OD1 ASP A  90     1555   1555  2.37  
LINK        CA    CA A 110                 OD1 ASP A  92     1555   1555  2.35  
LINK        CA    CA A 110                 OE1 GLU A 101     1555   1555  2.48  
LINK        CA    CA A 110                 OE2 GLU A 101     1555   1555  2.60  
LINK        CA    CA A 110                 O   LYS A  96     1555   1555  2.44  
LINK        CA    CA A 110                 O   HOH A 246     1555   1555  2.56  
LINK        CA    CA A 110                 OD1 ASP A  94     1555   1555  2.38  
LINK        CA    CA A 111                 OD1 ASP A  51     1555   1555  2.38  
LINK        CA    CA A 111                 O   PHE A  57     1555   1555  2.39  
LINK        CA    CA A 111                 OE1 GLU A  59     1555   1555  2.40  
LINK        CA    CA A 111                 OE2 GLU A  62     1555   1555  2.58  
LINK        CA    CA A 111                 OD1 ASP A  53     1555   1555  2.36  
LINK        CA    CA A 111                 OG  SER A  55     1555   1555  2.50  
LINK        CA    CA A 111                 OE1 GLU A  62     1555   1555  2.43  
SITE     1  CD 12 ASP A  51  LYS A  52  ASP A  53  GLN A  54                    
SITE     2  CD 12 SER A  55  GLY A  56  PHE A  57  ILE A  58                    
SITE     3  CD 12 GLU A  59  GLU A  60  GLU A  61  GLU A  62                    
SITE     1  EF 12 ASP A  90  SER A  91  ASP A  92  HIS A  93                    
SITE     2  EF 12 ASP A  94  GLY A  95  LYS A  96  ILE A  97                    
SITE     3  EF 12 GLY A  98  ALA A  99  ASP A 100  GLU A 101                    
SITE     1 AC1  6 ASP A  90  ASP A  92  ASP A  94  LYS A  96                    
SITE     2 AC1  6 GLU A 101  HOH A 246                                          
SITE     1 AC2  6 ASP A  51  ASP A  53  SER A  55  PHE A  57                    
SITE     2 AC2  6 GLU A  59  GLU A  62                                          
CRYST1   32.120   32.120  149.000  90.00  90.00 120.00 P 31 2 1      6          
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      0.031133  0.017975  0.000000        0.00000                         
SCALE2      0.000000  0.035950  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006711        0.00000                         
ATOM      1  N   PRO A   1     -19.678  21.675  22.806  1.00 20.02           N  
ATOM      2  CA  PRO A   1     -20.158  20.388  23.237  1.00 18.54           C  
ATOM      3  C   PRO A   1     -21.043  19.986  22.078  1.00 16.67           C  
ATOM      4  O   PRO A   1     -21.729  20.852  21.502  1.00 16.36           O  
ATOM      5  CB  PRO A   1     -20.924  20.623  24.481  0.00 19.09           C  
ATOM      6  CG  PRO A   1     -20.063  21.652  25.152  0.00 19.63           C  
ATOM      7  CD  PRO A   1     -19.889  22.537  23.950  1.00 20.44           C  
ATOM      8  N   MET A   2     -20.996  18.712  21.706  1.00 14.13           N  
ATOM      9  CA  MET A   2     -21.786  18.226  20.603  1.00 11.18           C  
ATOM     10  C   MET A   2     -23.254  18.252  20.935  1.00  9.49           C  
ATOM     11  O   MET A   2     -24.043  18.252  20.000  1.00  8.22           O  
ATOM     12  CB  MET A   2     -21.417  16.797  20.257  1.00 12.40           C  
ATOM     13  CG  MET A   2     -20.027  16.656  19.732  1.00 13.06           C  
ATOM     14  SD  MET A   2     -19.880  17.532  18.162  1.00 13.48           S  
ATOM     15  CE  MET A   2     -18.193  17.060  17.888  1.00 13.29           C  
ATOM     16  N   THR A   3     -23.703  18.307  22.195  1.00  7.45           N  
ATOM     17  CA  THR A   3     -25.127  18.317  22.463  1.00  7.39           C  
ATOM     18  C   THR A   3     -25.822  19.638  22.129  1.00  8.28           C  
ATOM     19  O   THR A   3     -27.043  19.771  22.265  1.00  8.62           O  
ATOM     20  CB  THR A   3     -25.372  17.922  23.940  1.00  7.37           C  
ATOM     21  OG1 THR A   3     -24.447  18.659  24.728  1.00  7.55           O  
ATOM     22  CG2 THR A   3     -25.209  16.428  24.164  1.00  7.03           C  
ATOM     23  N   LYS A   4     -25.061  20.627  21.631  1.00  8.34           N  
ATOM     24  CA  LYS A   4     -25.635  21.841  21.094  1.00  8.88           C  
ATOM     25  C   LYS A   4     -26.331  21.464  19.798  1.00  8.09           C  
ATOM     26  O   LYS A   4     -27.267  22.128  19.369  1.00  7.28           O  
ATOM     27  CB  LYS A   4     -24.565  22.876  20.746  1.00 10.62           C  
ATOM     28  CG  LYS A   4     -23.812  23.594  21.863  1.00 12.42           C  
ATOM     29  CD  LYS A   4     -22.725  24.356  21.085  1.00 13.96           C  
ATOM     30  CE  LYS A   4     -21.869  25.381  21.795  0.00 13.61           C  
ATOM     31  NZ  LYS A   4     -21.002  26.013  20.813  0.00 13.73           N  
ATOM     32  N   VAL A   5     -25.890  20.387  19.132  1.00  7.56           N  
ATOM     33  CA  VAL A   5     -26.448  20.000  17.838  1.00  7.75           C  
ATOM     34  C   VAL A   5     -27.098  18.625  17.847  1.00  7.32           C  
ATOM     35  O   VAL A   5     -28.137  18.411  17.193  1.00  8.19           O  
ATOM     36  CB  VAL A   5     -25.342  20.021  16.748  1.00  7.65           C  
ATOM     37  CG1 VAL A   5     -25.898  19.542  15.391  1.00  8.41           C  
ATOM     38  CG2 VAL A   5     -24.805  21.431  16.605  1.00  8.35           C  
ATOM     39  N   LEU A   6     -26.530  17.696  18.619  1.00  7.10           N  
ATOM     40  CA  LEU A   6     -26.917  16.289  18.563  1.00  7.25           C  
ATOM     41  C   LEU A   6     -27.478  15.782  19.874  1.00  6.54           C  
ATOM     42  O   LEU A   6     -27.161  16.361  20.903  1.00  7.55           O  
ATOM     43  CB  LEU A   6     -25.692  15.479  18.175  1.00  7.32           C  
ATOM     44  CG  LEU A   6     -25.038  15.850  16.828  1.00  7.41           C  
ATOM     45  CD1 LEU A   6     -23.679  15.184  16.755  1.00  8.34           C  
ATOM     46  CD2 LEU A   6     -25.953  15.483  15.673  1.00  7.34           C  
ATOM     47  N   LYS A   7     -28.351  14.796  19.870  1.00  6.02           N  
ATOM     48  CA  LYS A   7     -28.912  14.248  21.092  1.00  6.98           C  
ATOM     49  C   LYS A   7     -27.887  13.435  21.876  1.00  6.64           C  
ATOM     50  O   LYS A   7     -27.131  12.630  21.322  1.00  6.16           O  
ATOM     51  CB  LYS A   7     -30.069  13.342  20.787  1.00  8.55           C  
ATOM     52  CG  LYS A   7     -31.261  14.071  20.213  1.00 10.91           C  
ATOM     53  CD  LYS A   7     -32.389  13.056  20.192  1.00 12.81           C  
ATOM     54  CE  LYS A   7     -33.652  13.791  19.799  1.00 15.00           C  
ATOM     55  NZ  LYS A   7     -34.678  12.864  19.387  0.00 14.30           N  
ATOM     56  N   ALA A   8     -27.857  13.633  23.182  1.00  5.83           N  
ATOM     57  CA  ALA A   8     -26.934  12.920  24.062  1.00  6.03           C  
ATOM     58  C   ALA A   8     -26.999  11.404  23.871  1.00  6.16           C  
ATOM     59  O   ALA A   8     -25.951  10.757  23.741  1.00  5.96           O  
ATOM     60  CB  ALA A   8     -27.262  13.242  25.512  1.00  5.66           C  
ATOM     61  N   ASP A   9     -28.194  10.822  23.757  1.00  6.25           N  
ATOM     62  CA  ASP A   9     -28.300   9.365  23.618  1.00  7.96           C  
ATOM     63  C   ASP A   9     -27.813   8.856  22.266  1.00  7.38           C  
ATOM     64  O   ASP A   9     -27.219   7.772  22.173  1.00  8.51           O  
ATOM     65  CB  ASP A   9     -29.754   8.904  23.841  1.00 10.30           C  
ATOM     66  CG  ASP A   9     -30.263   9.087  25.278  1.00 12.84           C  
ATOM     67  OD1 ASP A   9     -29.487   9.034  26.240  1.00 13.81           O  
ATOM     68  OD2 ASP A   9     -31.460   9.332  25.416  1.00 15.43           O  
ATOM     69  N   ASP A  10     -27.977   9.638  21.207  1.00  6.55           N  
ATOM     70  CA  ASP A  10     -27.466   9.270  19.887  1.00  6.64           C  
ATOM     71  C   ASP A  10     -25.959   9.259  19.901  1.00  5.85           C  
ATOM     72  O   ASP A  10     -25.335   8.367  19.323  1.00  5.94           O  
ATOM     73  CB  ASP A  10     -27.934  10.262  18.828  1.00  7.20           C  
ATOM     74  CG  ASP A  10     -29.404  10.125  18.504  1.00  8.84           C  
ATOM     75  OD1 ASP A  10     -30.029   9.140  18.870  1.00 10.99           O  
ATOM     76  OD2 ASP A  10     -29.998  11.006  17.897  1.00  9.88           O  
ATOM     77  N   ILE A  11     -25.330  10.202  20.609  1.00  4.99           N  
ATOM     78  CA  ILE A  11     -23.875  10.196  20.741  1.00  5.63           C  
ATOM     79  C   ILE A  11     -23.444   8.909  21.442  1.00  5.96           C  
ATOM     80  O   ILE A  11     -22.494   8.251  20.985  1.00  5.35           O  
ATOM     81  CB  ILE A  11     -23.373  11.414  21.556  1.00  6.19           C  
ATOM     82  CG1 ILE A  11     -23.576  12.678  20.715  1.00  6.63           C  
ATOM     83  CG2 ILE A  11     -21.890  11.255  21.927  1.00  6.51           C  
ATOM     84  CD1 ILE A  11     -23.548  13.983  21.530  1.00  7.66           C  
ATOM     85  N   ASN A  12     -24.138   8.509  22.520  1.00  6.44           N  
ATOM     86  CA  ASN A  12     -23.722   7.305  23.209  1.00  7.40           C  
ATOM     87  C   ASN A  12     -23.943   6.055  22.387  1.00  7.43           C  
ATOM     88  O   ASN A  12     -23.145   5.121  22.406  1.00  6.82           O  
ATOM     89  CB  ASN A  12     -24.451   7.226  24.536  1.00  8.93           C  
ATOM     90  CG  ASN A  12     -23.555   7.868  25.584  1.00 10.19           C  
ATOM     91  OD1 ASN A  12     -22.360   7.572  25.614  1.00 11.89           O  
ATOM     92  ND2 ASN A  12     -24.008   8.727  26.485  1.00 10.52           N  
ATOM     93  N   LYS A  13     -24.970   6.055  21.555  1.00  8.02           N  
ATOM     94  CA  LYS A  13     -25.245   4.929  20.671  1.00  8.74           C  
ATOM     95  C   LYS A  13     -24.099   4.756  19.687  1.00  8.07           C  
ATOM     96  O   LYS A  13     -23.576   3.650  19.487  1.00  8.17           O  
ATOM     97  CB  LYS A  13     -26.562   5.210  19.955  1.00 10.18           C  
ATOM     98  CG  LYS A  13     -27.036   4.040  19.123  1.00 13.50           C  
ATOM     99  CD  LYS A  13     -28.519   4.239  18.808  1.00 14.73           C  
ATOM    100  CE  LYS A  13     -29.364   3.039  19.215  0.00 14.42           C  
ATOM    101  NZ  LYS A  13     -29.045   1.860  18.429  0.00 14.54           N  
ATOM    102  N   ALA A  14     -23.658   5.862  19.105  1.00  7.92           N  
ATOM    103  CA  ALA A  14     -22.607   5.814  18.120  1.00  8.70           C  
ATOM    104  C   ALA A  14     -21.264   5.441  18.737  1.00  9.57           C  
ATOM    105  O   ALA A  14     -20.518   4.632  18.158  1.00  9.99           O  
ATOM    106  CB  ALA A  14     -22.502   7.170  17.420  1.00  9.03           C  
ATOM    107  N   ILE A  15     -20.955   5.919  19.952  1.00  8.86           N  
ATOM    108  CA  ILE A  15     -19.698   5.570  20.630  1.00 10.12           C  
ATOM    109  C   ILE A  15     -19.608   4.070  20.932  1.00  9.59           C  
ATOM    110  O   ILE A  15     -18.550   3.439  20.828  1.00 10.04           O  
ATOM    111  CB  ILE A  15     -19.592   6.418  21.943  1.00 10.39           C  
ATOM    112  CG1 ILE A  15     -19.381   7.884  21.534  1.00 11.90           C  
ATOM    113  CG2 ILE A  15     -18.471   5.929  22.862  1.00 11.05           C  
ATOM    114  CD1 ILE A  15     -18.196   8.201  20.597  1.00 11.93           C  
ATOM    115  N   SER A  16     -20.748   3.496  21.315  1.00  8.49           N  
ATOM    116  CA  SER A  16     -20.835   2.084  21.604  1.00  8.86           C  
ATOM    117  C   SER A  16     -20.570   1.252  20.347  1.00  7.89           C  
ATOM    118  O   SER A  16     -19.826   0.264  20.416  1.00  7.46           O  
ATOM    119  CB  SER A  16     -22.206   1.807  22.122  1.00 10.15           C  
ATOM    120  OG  SER A  16     -22.229   0.459  22.560  1.00 15.19           O  
ATOM    121  N   ALA A  17     -21.152   1.663  19.214  1.00  6.28           N  
ATOM    122  CA  ALA A  17     -20.977   0.932  17.975  1.00  6.53           C  
ATOM    123  C   ALA A  17     -19.516   0.816  17.567  1.00  6.80           C  
ATOM    124  O   ALA A  17     -19.089  -0.186  16.985  1.00  7.63           O  
ATOM    125  CB  ALA A  17     -21.717   1.625  16.851  1.00  6.20           C  
ATOM    126  N   PHE A  18     -18.711   1.824  17.918  1.00  6.10           N  
ATOM    127  CA  PHE A  18     -17.313   1.839  17.513  1.00  6.64           C  
ATOM    128  C   PHE A  18     -16.357   1.729  18.685  1.00  7.13           C  
ATOM    129  O   PHE A  18     -15.231   2.238  18.645  1.00  7.65           O  
ATOM    130  CB  PHE A  18     -17.043   3.128  16.715  1.00  6.43           C  
ATOM    131  CG  PHE A  18     -17.976   3.177  15.524  1.00  6.34           C  
ATOM    132  CD1 PHE A  18     -17.841   2.231  14.524  1.00  6.76           C  
ATOM    133  CD2 PHE A  18     -18.990   4.122  15.477  1.00  7.07           C  
ATOM    134  CE1 PHE A  18     -18.739   2.233  13.476  1.00  6.72           C  
ATOM    135  CE2 PHE A  18     -19.878   4.098  14.422  1.00  6.72           C  
ATOM    136  CZ  PHE A  18     -19.751   3.162  13.426  1.00  6.68           C  
ATOM    137  N   LYS A  19     -16.743   0.979  19.719  1.00  7.64           N  
ATOM    138  CA  LYS A  19     -15.891   0.875  20.885  1.00  8.92           C  
ATOM    139  C   LYS A  19     -14.611   0.071  20.635  1.00  8.80           C  
ATOM    140  O   LYS A  19     -13.593   0.313  21.300  1.00  9.54           O  
ATOM    141  CB  LYS A  19     -16.708   0.260  22.022  1.00 10.98           C  
ATOM    142  CG  LYS A  19     -17.168  -1.176  21.791  1.00 14.06           C  
ATOM    143  CD  LYS A  19     -18.018  -1.650  22.969  1.00 17.04           C  
ATOM    144  CE  LYS A  19     -17.752  -3.136  23.211  1.00 19.04           C  
ATOM    145  NZ  LYS A  19     -16.343  -3.357  23.540  1.00 20.72           N  
ATOM    146  N   ASP A  20     -14.637  -0.860  19.678  1.00  7.65           N  
ATOM    147  CA  ASP A  20     -13.502  -1.707  19.413  1.00  8.91           C  
ATOM    148  C   ASP A  20     -12.719  -1.262  18.190  1.00  8.71           C  
ATOM    149  O   ASP A  20     -13.346  -0.793  17.219  1.00  8.09           O  
ATOM    150  CB  ASP A  20     -13.975  -3.129  19.218  1.00  9.83           C  
ATOM    151  CG  ASP A  20     -14.485  -3.756  20.492  1.00 12.36           C  
ATOM    152  OD1 ASP A  20     -14.084  -3.420  21.613  1.00 12.87           O  
ATOM    153  OD2 ASP A  20     -15.349  -4.608  20.391  1.00 12.39           O  
ATOM    154  N   PRO A  21     -11.371  -1.316  18.198  1.00  8.81           N  
ATOM    155  CA  PRO A  21     -10.520  -0.727  17.149  1.00  8.57           C  
ATOM    156  C   PRO A  21     -10.737  -1.359  15.786  1.00  8.37           C  
ATOM    157  O   PRO A  21     -11.019  -2.551  15.688  1.00  9.18           O  
ATOM    158  CB  PRO A  21      -9.112  -0.896  17.698  1.00  8.63           C  
ATOM    159  CG  PRO A  21      -9.214  -2.096  18.601  1.00  9.30           C  
ATOM    160  CD  PRO A  21     -10.568  -1.914  19.277  1.00  8.85           C  
ATOM    161  N   GLY A  22     -10.704  -0.598  14.705  1.00  7.28           N  
ATOM    162  CA  GLY A  22     -10.850  -1.202  13.395  1.00  7.77           C  
ATOM    163  C   GLY A  22     -12.272  -1.248  12.861  1.00  7.70           C  
ATOM    164  O   GLY A  22     -12.476  -1.677  11.714  1.00  8.81           O  
ATOM    165  N   THR A  23     -13.283  -0.836  13.628  1.00  7.31           N  
ATOM    166  CA  THR A  23     -14.668  -0.909  13.206  1.00  7.70           C  
ATOM    167  C   THR A  23     -15.236   0.352  12.540  1.00  7.87           C  
ATOM    168  O   THR A  23     -16.377   0.340  12.079  1.00  8.96           O  
ATOM    169  CB  THR A  23     -15.548  -1.258  14.442  1.00  7.30           C  
ATOM    170  OG1 THR A  23     -15.318  -0.257  15.450  1.00  7.33           O  
ATOM    171  CG2 THR A  23     -15.231  -2.656  14.968  1.00  8.25           C  
ATOM    172  N   PHE A  24     -14.522   1.468  12.485  1.00  6.82           N  
ATOM    173  CA  PHE A  24     -15.154   2.701  12.077  1.00  7.50           C  
ATOM    174  C   PHE A  24     -15.583   2.720  10.628  1.00  8.04           C  
ATOM    175  O   PHE A  24     -14.863   2.270   9.740  1.00  8.30           O  
ATOM    176  CB  PHE A  24     -14.201   3.850  12.334  1.00  7.94           C  
ATOM    177  CG  PHE A  24     -14.860   5.227  12.302  1.00  7.62           C  
ATOM    178  CD1 PHE A  24     -15.660   5.603  13.375  1.00  8.15           C  
ATOM    179  CD2 PHE A  24     -14.662   6.094  11.234  1.00  8.21           C  
ATOM    180  CE1 PHE A  24     -16.249   6.857  13.395  1.00  7.76           C  
ATOM    181  CE2 PHE A  24     -15.255   7.347  11.261  1.00  8.47           C  
ATOM    182  CZ  PHE A  24     -16.048   7.725  12.331  1.00  7.96           C  
ATOM    183  N   ASP A  25     -16.768   3.275  10.411  1.00  7.37           N  
ATOM    184  CA  ASP A  25     -17.307   3.491   9.079  1.00  8.40           C  
ATOM    185  C   ASP A  25     -17.924   4.885   9.181  1.00  7.23           C  
ATOM    186  O   ASP A  25     -18.857   5.072   9.971  1.00  6.33           O  
ATOM    187  CB  ASP A  25     -18.369   2.442   8.808  1.00 10.87           C  
ATOM    188  CG  ASP A  25     -19.086   2.595   7.488  1.00 13.66           C  
ATOM    189  OD1 ASP A  25     -19.638   3.634   7.160  1.00 13.52           O  
ATOM    190  OD2 ASP A  25     -19.054   1.637   6.731  1.00 18.48           O  
ATOM    191  N   TYR A  26     -17.442   5.894   8.431  1.00  6.17           N  
ATOM    192  CA  TYR A  26     -17.958   7.245   8.605  1.00  6.24           C  
ATOM    193  C   TYR A  26     -19.425   7.335   8.232  1.00  6.30           C  
ATOM    194  O   TYR A  26     -20.158   8.093   8.861  1.00  6.98           O  
ATOM    195  CB  TYR A  26     -17.129   8.258   7.766  1.00  6.34           C  
ATOM    196  CG  TYR A  26     -17.424   8.406   6.279  1.00  6.99           C  
ATOM    197  CD1 TYR A  26     -16.837   7.573   5.329  1.00  7.20           C  
ATOM    198  CD2 TYR A  26     -18.316   9.390   5.878  1.00  8.19           C  
ATOM    199  CE1 TYR A  26     -17.116   7.754   3.985  1.00  7.93           C  
ATOM    200  CE2 TYR A  26     -18.600   9.569   4.543  1.00  8.94           C  
ATOM    201  CZ  TYR A  26     -18.012   8.739   3.608  1.00  9.02           C  
ATOM    202  OH  TYR A  26     -18.342   8.902   2.285  1.00 10.87           O  
ATOM    203  N   LYS A  27     -19.894   6.574   7.236  1.00  6.46           N  
ATOM    204  CA  LYS A  27     -21.281   6.633   6.828  1.00  7.59           C  
ATOM    205  C   LYS A  27     -22.210   6.136   7.927  1.00  6.21           C  
ATOM    206  O   LYS A  27     -23.169   6.823   8.274  1.00  5.55           O  
ATOM    207  CB  LYS A  27     -21.541   5.788   5.590  1.00  9.41           C  
ATOM    208  CG  LYS A  27     -20.784   6.362   4.419  1.00 11.65           C  
ATOM    209  CD  LYS A  27     -21.272   5.746   3.146  1.00 13.89           C  
ATOM    210  CE  LYS A  27     -20.442   6.461   2.099  1.00 15.99           C  
ATOM    211  NZ  LYS A  27     -21.152   6.445   0.845  1.00 18.79           N  
ATOM    212  N   ARG A  28     -21.887   4.992   8.533  1.00  6.20           N  
ATOM    213  CA  ARG A  28     -22.702   4.487   9.612  1.00  6.12           C  
ATOM    214  C   ARG A  28     -22.604   5.431  10.806  1.00  6.01           C  
ATOM    215  O   ARG A  28     -23.639   5.704  11.415  1.00  5.82           O  
ATOM    216  CB  ARG A  28     -22.234   3.094   9.993  1.00  7.36           C  
ATOM    217  CG  ARG A  28     -23.066   2.394  11.086  1.00  8.07           C  
ATOM    218  CD  ARG A  28     -24.554   2.204  10.671  1.00 10.06           C  
ATOM    219  NE  ARG A  28     -25.170   1.434  11.747  1.00 11.27           N  
ATOM    220  CZ  ARG A  28     -26.472   1.122  11.793  1.00 13.08           C  
ATOM    221  NH1 ARG A  28     -27.417   1.649  11.003  1.00 14.27           N  
ATOM    222  NH2 ARG A  28     -26.844   0.282  12.770  1.00 14.18           N  
ATOM    223  N   PHE A  29     -21.418   5.948  11.136  1.00  5.56           N  
ATOM    224  CA  PHE A  29     -21.257   6.873  12.255  1.00  5.86           C  
ATOM    225  C   PHE A  29     -22.151   8.097  12.099  1.00  5.91           C  
ATOM    226  O   PHE A  29     -22.865   8.425  13.050  1.00  4.96           O  
ATOM    227  CB  PHE A  29     -19.791   7.332  12.368  1.00  6.17           C  
ATOM    228  CG  PHE A  29     -19.573   8.361  13.465  1.00  7.07           C  
ATOM    229  CD1 PHE A  29     -19.682   7.980  14.796  1.00  7.42           C  
ATOM    230  CD2 PHE A  29     -19.315   9.676  13.119  1.00  7.72           C  
ATOM    231  CE1 PHE A  29     -19.535   8.937  15.801  1.00  8.45           C  
ATOM    232  CE2 PHE A  29     -19.168  10.621  14.123  1.00  8.74           C  
ATOM    233  CZ  PHE A  29     -19.282  10.249  15.455  1.00  8.42           C  
ATOM    234  N   PHE A  30     -22.207   8.765  10.936  1.00  5.84           N  
ATOM    235  CA  PHE A  30     -23.007   9.980  10.824  1.00  7.35           C  
ATOM    236  C   PHE A  30     -24.490   9.681  10.869  1.00  8.07           C  
ATOM    237  O   PHE A  30     -25.283  10.531  11.310  1.00  8.73           O  
ATOM    238  CB  PHE A  30     -22.671  10.724   9.526  1.00  8.16           C  
ATOM    239  CG  PHE A  30     -21.274  11.354   9.506  1.00  9.73           C  
ATOM    240  CD1 PHE A  30     -20.713  11.917  10.647  1.00 10.71           C  
ATOM    241  CD2 PHE A  30     -20.546  11.363   8.327  1.00 10.83           C  
ATOM    242  CE1 PHE A  30     -19.444  12.469  10.602  1.00 11.79           C  
ATOM    243  CE2 PHE A  30     -19.278  11.921   8.306  1.00 11.35           C  
ATOM    244  CZ  PHE A  30     -18.724  12.473   9.431  1.00 11.58           C  
ATOM    245  N   HIS A  31     -24.882   8.478  10.431  1.00  8.25           N  
ATOM    246  CA  HIS A  31     -26.262   8.045  10.563  1.00  9.84           C  
ATOM    247  C   HIS A  31     -26.576   7.809  12.034  1.00  8.76           C  
ATOM    248  O   HIS A  31     -27.563   8.342  12.537  1.00  9.52           O  
ATOM    249  CB  HIS A  31     -26.500   6.748   9.788  1.00 13.18           C  
ATOM    250  CG  HIS A  31     -26.841   7.007   8.316  1.00 16.36           C  
ATOM    251  ND1 HIS A  31     -28.057   7.194   7.787  1.00 17.86           N  
ATOM    252  CD2 HIS A  31     -25.921   7.097   7.290  1.00 17.73           C  
ATOM    253  CE1 HIS A  31     -27.892   7.391   6.485  1.00 18.28           C  
ATOM    254  NE2 HIS A  31     -26.608   7.331   6.198  1.00 18.51           N  
ATOM    255  N   LEU A  32     -25.753   7.080  12.773  1.00  7.91           N  
ATOM    256  CA  LEU A  32     -26.048   6.803  14.163  1.00  8.03           C  
ATOM    257  C   LEU A  32     -26.001   8.036  15.017  1.00  7.81           C  
ATOM    258  O   LEU A  32     -26.810   8.151  15.925  1.00  9.02           O  
ATOM    259  CB  LEU A  32     -25.064   5.807  14.733  1.00  8.04           C  
ATOM    260  CG  LEU A  32     -25.270   4.375  14.273  1.00  8.31           C  
ATOM    261  CD1 LEU A  32     -24.122   3.522  14.781  1.00  9.90           C  
ATOM    262  CD2 LEU A  32     -26.629   3.871  14.766  1.00  9.47           C  
ATOM    263  N   VAL A  33     -25.106   8.980  14.801  1.00  7.26           N  
ATOM    264  CA  VAL A  33     -25.025  10.103  15.701  1.00  7.37           C  
ATOM    265  C   VAL A  33     -26.124  11.140  15.407  1.00  8.50           C  
ATOM    266  O   VAL A  33     -26.288  12.100  16.165  1.00  9.03           O  
ATOM    267  CB  VAL A  33     -23.547  10.629  15.576  1.00  7.36           C  
ATOM    268  CG1 VAL A  33     -23.333  11.619  14.417  1.00  5.91           C  
ATOM    269  CG2 VAL A  33     -23.192  11.182  16.935  1.00  8.37           C  
ATOM    270  N   GLY A  34     -26.847  11.014  14.283  1.00  8.46           N  
ATOM    271  CA  GLY A  34     -27.942  11.907  13.929  1.00  9.68           C  
ATOM    272  C   GLY A  34     -27.463  13.164  13.205  1.00 11.33           C  
ATOM    273  O   GLY A  34     -28.165  14.190  13.189  1.00 12.41           O  
ATOM    274  N   LEU A  35     -26.287  13.150  12.561  1.00 12.52           N  
ATOM    275  CA  LEU A  35     -25.773  14.337  11.882  1.00 14.09           C  
ATOM    276  C   LEU A  35     -26.383  14.513  10.499  1.00 15.39           C  
ATOM    277  O   LEU A  35     -26.432  15.624   9.945  1.00 14.01           O  
ATOM    278  CB  LEU A  35     -24.256  14.227  11.826  1.00 14.52           C  
ATOM    279  CG  LEU A  35     -23.418  15.459  11.521  1.00 15.39           C  
ATOM    280  CD1 LEU A  35     -23.896  16.694  12.299  1.00 14.57           C  
ATOM    281  CD2 LEU A  35     -21.974  15.083  11.820  1.00 15.67           C  
ATOM    282  N   LYS A  36     -26.911  13.419   9.956  1.00 17.65           N  
ATOM    283  CA  LYS A  36     -27.671  13.526   8.721  1.00 20.67           C  
ATOM    284  C   LYS A  36     -28.974  14.286   8.939  1.00 21.13           C  
ATOM    285  O   LYS A  36     -29.677  14.127   9.941  1.00 22.27           O  
ATOM    286  CB  LYS A  36     -27.988  12.143   8.164  1.00 21.93           C  
ATOM    287  CG  LYS A  36     -26.706  11.511   7.638  1.00 23.18           C  
ATOM    288  CD  LYS A  36     -26.831  11.009   6.210  1.00 24.35           C  
ATOM    289  CE  LYS A  36     -26.924  12.086   5.123  1.00 25.04           C  
ATOM    290  NZ  LYS A  36     -26.483  11.578   3.831  1.00 25.64           N  
ATOM    291  N   GLY A  37     -29.254  15.179   7.997  1.00 21.63           N  
ATOM    292  CA  GLY A  37     -30.480  15.956   8.054  1.00 21.66           C  
ATOM    293  C   GLY A  37     -30.351  17.191   8.932  1.00 20.83           C  
ATOM    294  O   GLY A  37     -31.355  17.719   9.430  1.00 23.02           O  
ATOM    295  N   LYS A  38     -29.126  17.603   9.224  1.00 18.43           N  
ATOM    296  CA  LYS A  38     -28.929  18.812   9.971  1.00 16.19           C  
ATOM    297  C   LYS A  38     -28.548  19.876   8.967  1.00 15.10           C  
ATOM    298  O   LYS A  38     -28.070  19.563   7.872  1.00 14.99           O  
ATOM    299  CB  LYS A  38     -27.821  18.639  10.972  1.00 17.29           C  
ATOM    300  CG  LYS A  38     -28.200  17.724  12.138  1.00 18.70           C  
ATOM    301  CD  LYS A  38     -29.334  18.288  12.976  1.00 19.43           C  
ATOM    302  CE  LYS A  38     -29.609  17.436  14.209  1.00 20.38           C  
ATOM    303  NZ  LYS A  38     -30.101  16.140  13.812  1.00 20.87           N  
ATOM    304  N   THR A  39     -28.746  21.139   9.311  1.00 13.30           N  
ATOM    305  CA  THR A  39     -28.449  22.225   8.383  1.00 11.48           C  
ATOM    306  C   THR A  39     -26.954  22.337   8.162  1.00 11.00           C  
ATOM    307  O   THR A  39     -26.146  21.869   8.980  1.00  9.95           O  
ATOM    308  CB  THR A  39     -28.979  23.587   8.934  1.00 11.32           C  
ATOM    309  OG1 THR A  39     -28.139  23.946  10.038  1.00 10.74           O  
ATOM    310  CG2 THR A  39     -30.452  23.526   9.355  1.00 11.16           C  
ATOM    311  N   ASP A  40     -26.564  23.085   7.124  1.00 11.00           N  
ATOM    312  CA  ASP A  40     -25.161  23.331   6.847  1.00 10.25           C  
ATOM    313  C   ASP A  40     -24.493  24.053   8.019  1.00  8.80           C  
ATOM    314  O   ASP A  40     -23.371  23.762   8.458  1.00  8.50           O  
ATOM    315  CB  ASP A  40     -25.084  24.150   5.563  1.00 13.20           C  
ATOM    316  CG  ASP A  40     -23.676  24.158   5.008  1.00 15.96           C  
ATOM    317  OD1 ASP A  40     -23.172  23.101   4.590  1.00 17.64           O  
ATOM    318  OD2 ASP A  40     -23.075  25.229   4.980  1.00 17.77           O  
ATOM    319  N   ALA A  41     -25.228  24.975   8.646  1.00  7.75           N  
ATOM    320  CA  ALA A  41     -24.670  25.703   9.769  1.00  6.92           C  
ATOM    321  C   ALA A  41     -24.547  24.826  11.013  1.00  6.71           C  
ATOM    322  O   ALA A  41     -23.637  25.046  11.808  1.00  7.29           O  
ATOM    323  CB  ALA A  41     -25.536  26.913  10.102  1.00  6.87           C  
ATOM    324  N   GLN A  42     -25.403  23.822  11.216  1.00  6.45           N  
ATOM    325  CA  GLN A  42     -25.248  22.881  12.328  1.00  6.47           C  
ATOM    326  C   GLN A  42     -24.061  21.941  12.063  1.00  6.42           C  
ATOM    327  O   GLN A  42     -23.271  21.647  12.968  1.00  5.29           O  
ATOM    328  CB  GLN A  42     -26.495  22.033  12.499  1.00  7.43           C  
ATOM    329  CG  GLN A  42     -27.628  22.830  13.080  1.00  7.99           C  
ATOM    330  CD  GLN A  42     -28.885  22.000  13.153  1.00  9.46           C  
ATOM    331  OE1 GLN A  42     -29.378  21.525  12.137  1.00 10.65           O  
ATOM    332  NE2 GLN A  42     -29.470  21.758  14.302  1.00  9.21           N  
ATOM    333  N   VAL A  43     -23.875  21.473  10.819  1.00  6.62           N  
ATOM    334  CA  VAL A  43     -22.743  20.605  10.498  1.00  7.48           C  
ATOM    335  C   VAL A  43     -21.449  21.353  10.724  1.00  7.57           C  
ATOM    336  O   VAL A  43     -20.491  20.792  11.265  1.00  6.56           O  
ATOM    337  CB  VAL A  43     -22.879  20.141   9.028  1.00  8.39           C  
ATOM    338  CG1 VAL A  43     -21.660  19.384   8.549  1.00  8.67           C  
ATOM    339  CG2 VAL A  43     -24.071  19.224   8.942  1.00  9.17           C  
ATOM    340  N   LYS A  44     -21.382  22.649  10.384  1.00  8.88           N  
ATOM    341  CA  LYS A  44     -20.142  23.397  10.558  1.00 10.74           C  
ATOM    342  C   LYS A  44     -19.861  23.713  12.021  1.00 10.61           C  
ATOM    343  O   LYS A  44     -18.705  23.712  12.440  1.00 11.01           O  
ATOM    344  CB  LYS A  44     -20.227  24.630   9.646  1.00 12.18           C  
ATOM    345  CG  LYS A  44     -20.162  24.027   8.203  1.00 14.37           C  
ATOM    346  CD  LYS A  44     -20.286  24.994   7.014  1.00 15.57           C  
ATOM    347  CE  LYS A  44     -18.978  25.462   6.368  0.00 15.23           C  
ATOM    348  NZ  LYS A  44     -18.762  24.914   5.036  0.00 15.28           N  
ATOM    349  N   GLU A  45     -20.907  23.758  12.864  1.00 10.97           N  
ATOM    350  CA  GLU A  45     -20.748  23.848  14.306  1.00 10.49           C  
ATOM    351  C   GLU A  45     -20.022  22.577  14.803  1.00  9.25           C  
ATOM    352  O   GLU A  45     -19.079  22.614  15.606  1.00  8.82           O  
ATOM    353  CB  GLU A  45     -22.141  23.957  14.899  1.00 12.26           C  
ATOM    354  CG  GLU A  45     -22.174  24.310  16.356  1.00 14.66           C  
ATOM    355  CD  GLU A  45     -21.746  25.727  16.754  1.00 16.03           C  
ATOM    356  OE1 GLU A  45     -21.814  26.672  15.945  1.00 15.12           O  
ATOM    357  OE2 GLU A  45     -21.403  25.879  17.945  1.00 17.46           O  
ATOM    358  N   VAL A  46     -20.415  21.377  14.330  1.00  8.01           N  
ATOM    359  CA  VAL A  46     -19.723  20.145  14.716  1.00  6.32           C  
ATOM    360  C   VAL A  46     -18.293  20.184  14.210  1.00  6.78           C  
ATOM    361  O   VAL A  46     -17.355  19.827  14.941  1.00  6.74           O  
ATOM    362  CB  VAL A  46     -20.472  18.918  14.150  1.00  7.43           C  
ATOM    363  CG1 VAL A  46     -19.741  17.604  14.445  1.00  7.03           C  
ATOM    364  CG2 VAL A  46     -21.812  18.801  14.874  1.00  7.48           C  
ATOM    365  N   PHE A  47     -18.089  20.671  12.984  1.00  6.88           N  
ATOM    366  CA  PHE A  47     -16.758  20.753  12.414  1.00  7.70           C  
ATOM    367  C   PHE A  47     -15.878  21.583  13.336  1.00  8.60           C  
ATOM    368  O   PHE A  47     -14.779  21.141  13.672  1.00  8.22           O  
ATOM    369  CB  PHE A  47     -16.803  21.398  11.015  1.00  7.61           C  
ATOM    370  CG  PHE A  47     -15.424  21.642  10.424  1.00  8.46           C  
ATOM    371  CD1 PHE A  47     -14.787  20.618   9.759  1.00  9.12           C  
ATOM    372  CD2 PHE A  47     -14.778  22.865  10.607  1.00  9.26           C  
ATOM    373  CE1 PHE A  47     -13.499  20.819   9.276  1.00 10.22           C  
ATOM    374  CE2 PHE A  47     -13.495  23.052  10.126  1.00 10.40           C  
ATOM    375  CZ  PHE A  47     -12.845  22.029   9.460  1.00 10.61           C  
ATOM    376  N   GLU A  48     -16.360  22.738  13.803  1.00 10.35           N  
ATOM    377  CA  GLU A  48     -15.587  23.586  14.688  1.00 12.90           C  
ATOM    378  C   GLU A  48     -15.205  22.898  15.990  1.00 12.01           C  
ATOM    379  O   GLU A  48     -14.108  23.118  16.481  1.00 11.79           O  
ATOM    380  CB  GLU A  48     -16.400  24.845  14.955  1.00 16.75           C  
ATOM    381  CG  GLU A  48     -16.453  25.628  13.646  1.00 21.38           C  
ATOM    382  CD  GLU A  48     -17.257  26.936  13.601  1.00 24.60           C  
ATOM    383  OE1 GLU A  48     -18.395  27.020  14.085  1.00 26.12           O  
ATOM    384  OE2 GLU A  48     -16.725  27.888  13.021  1.00 27.03           O  
ATOM    385  N   ILE A  49     -16.024  22.037  16.599  1.00 11.24           N  
ATOM    386  CA  ILE A  49     -15.578  21.318  17.797  1.00 11.57           C  
ATOM    387  C   ILE A  49     -14.461  20.320  17.462  1.00 10.59           C  
ATOM    388  O   ILE A  49     -13.531  20.100  18.241  1.00 11.13           O  
ATOM    389  CB  ILE A  49     -16.804  20.600  18.430  1.00 12.99           C  
ATOM    390  CG1 ILE A  49     -17.793  21.667  18.881  1.00 14.09           C  
ATOM    391  CG2 ILE A  49     -16.408  19.730  19.625  1.00 13.17           C  
ATOM    392  CD1 ILE A  49     -19.190  21.144  19.253  1.00 15.29           C  
ATOM    393  N   LEU A  50     -14.506  19.665  16.301  1.00  9.26           N  
ATOM    394  CA  LEU A  50     -13.482  18.683  15.952  1.00  8.82           C  
ATOM    395  C   LEU A  50     -12.125  19.296  15.595  1.00  8.56           C  
ATOM    396  O   LEU A  50     -11.069  18.684  15.757  1.00  8.24           O  
ATOM    397  CB  LEU A  50     -13.999  17.822  14.791  1.00  8.41           C  
ATOM    398  CG  LEU A  50     -15.251  17.002  15.133  1.00  8.52           C  
ATOM    399  CD1 LEU A  50     -15.697  16.273  13.872  1.00  8.53           C  
ATOM    400  CD2 LEU A  50     -14.960  16.048  16.316  1.00  8.63           C  
ATOM    401  N   ASP A  51     -12.155  20.517  15.078  1.00  8.99           N  
ATOM    402  CA  ASP A  51     -10.946  21.258  14.771  1.00  9.30           C  
ATOM    403  C   ASP A  51     -10.395  21.845  16.096  1.00  9.81           C  
ATOM    404  O   ASP A  51     -10.485  23.031  16.415  1.00  9.33           O  
ATOM    405  CB  ASP A  51     -11.321  22.357  13.749  1.00  8.47           C  
ATOM    406  CG  ASP A  51     -10.178  23.293  13.423  1.00  8.73           C  
ATOM    407  OD1 ASP A  51      -9.023  23.000  13.712  1.00  8.97           O  
ATOM    408  OD2 ASP A  51     -10.403  24.363  12.888  1.00  9.05           O  
ATOM    409  N   LYS A  52      -9.721  20.973  16.838  1.00 11.58           N  
ATOM    410  CA  LYS A  52      -9.255  21.300  18.185  1.00 13.38           C  
ATOM    411  C   LYS A  52      -8.338  22.513  18.275  1.00 13.33           C  
ATOM    412  O   LYS A  52      -8.523  23.356  19.161  1.00 13.57           O  
ATOM    413  CB  LYS A  52      -8.532  20.093  18.791  1.00 15.51           C  
ATOM    414  CG  LYS A  52      -9.453  18.918  19.039  1.00 17.99           C  
ATOM    415  CD  LYS A  52      -8.733  17.687  19.626  1.00 19.75           C  
ATOM    416  CE  LYS A  52      -7.843  16.831  18.698  1.00 20.41           C  
ATOM    417  NZ  LYS A  52      -6.449  17.251  18.599  0.00 20.22           N  
ATOM    418  N   ASP A  53      -7.352  22.628  17.373  1.00 12.61           N  
ATOM    419  CA  ASP A  53      -6.412  23.754  17.440  1.00 12.63           C  
ATOM    420  C   ASP A  53      -6.908  24.979  16.674  1.00 13.12           C  
ATOM    421  O   ASP A  53      -6.190  25.961  16.473  1.00 14.50           O  
ATOM    422  CB  ASP A  53      -5.036  23.313  16.905  1.00 12.00           C  
ATOM    423  CG  ASP A  53      -4.994  22.990  15.420  1.00 12.24           C  
ATOM    424  OD1 ASP A  53      -6.014  23.111  14.752  1.00 10.55           O  
ATOM    425  OD2 ASP A  53      -3.965  22.592  14.903  1.00 13.30           O  
ATOM    426  N   GLN A  54      -8.142  24.937  16.151  1.00 12.81           N  
ATOM    427  CA  GLN A  54      -8.773  26.050  15.463  1.00 13.28           C  
ATOM    428  C   GLN A  54      -8.002  26.501  14.227  1.00 12.35           C  
ATOM    429  O   GLN A  54      -8.142  27.645  13.776  1.00 11.90           O  
ATOM    430  CB  GLN A  54      -8.962  27.249  16.450  1.00 16.18           C  
ATOM    431  CG  GLN A  54      -9.536  26.917  17.863  1.00 19.36           C  
ATOM    432  CD  GLN A  54      -8.676  27.419  19.061  1.00 22.12           C  
ATOM    433  OE1 GLN A  54      -7.946  26.690  19.754  1.00 23.16           O  
ATOM    434  NE2 GLN A  54      -8.675  28.707  19.408  1.00 22.41           N  
ATOM    435  N   SER A  55      -7.276  25.585  13.575  1.00 11.43           N  
ATOM    436  CA  SER A  55      -6.554  25.897  12.334  1.00 10.09           C  
ATOM    437  C   SER A  55      -7.431  26.133  11.094  1.00 10.30           C  
ATOM    438  O   SER A  55      -6.984  26.657  10.073  1.00 10.46           O  
ATOM    439  CB  SER A  55      -5.573  24.768  12.008  1.00  9.51           C  
ATOM    440  OG  SER A  55      -6.303  23.567  11.744  1.00  8.63           O  
ATOM    441  N   GLY A  56      -8.700  25.731  11.114  1.00  9.48           N  
ATOM    442  CA  GLY A  56      -9.594  25.828   9.986  1.00  8.47           C  
ATOM    443  C   GLY A  56      -9.653  24.483   9.260  1.00  7.91           C  
ATOM    444  O   GLY A  56     -10.415  24.333   8.307  1.00  8.54           O  
ATOM    445  N   PHE A  57      -8.880  23.474   9.671  1.00  7.70           N  
ATOM    446  CA  PHE A  57      -8.855  22.161   9.028  1.00  7.95           C  
ATOM    447  C   PHE A  57      -8.810  21.072  10.079  1.00  7.57           C  
ATOM    448  O   PHE A  57      -8.297  21.328  11.176  1.00  7.12           O  
ATOM    449  CB  PHE A  57      -7.622  21.935   8.192  1.00  8.56           C  
ATOM    450  CG  PHE A  57      -7.460  22.961   7.115  1.00 10.30           C  
ATOM    451  CD1 PHE A  57      -8.091  22.757   5.894  1.00 10.35           C  
ATOM    452  CD2 PHE A  57      -6.678  24.073   7.364  1.00 11.08           C  
ATOM    453  CE1 PHE A  57      -7.957  23.703   4.904  1.00 11.77           C  
ATOM    454  CE2 PHE A  57      -6.555  25.013   6.363  1.00 11.98           C  
ATOM    455  CZ  PHE A  57      -7.181  24.818   5.144  1.00 11.96           C  
ATOM    456  N   ILE A  58      -9.311  19.879   9.793  1.00  6.63           N  
ATOM    457  CA  ILE A  58      -9.119  18.741  10.661  1.00  6.64           C  
ATOM    458  C   ILE A  58      -7.915  18.016  10.081  1.00  7.22           C  
ATOM    459  O   ILE A  58      -7.962  17.412   8.984  1.00  7.24           O  
ATOM    460  CB  ILE A  58     -10.366  17.832  10.668  1.00  6.98           C  
ATOM    461  CG1 ILE A  58     -11.580  18.601  11.168  1.00  7.23           C  
ATOM    462  CG2 ILE A  58     -10.104  16.639  11.592  1.00  7.51           C  
ATOM    463  CD1 ILE A  58     -12.935  17.827  11.123  1.00  8.69           C  
ATOM    464  N   GLU A  59      -6.776  18.185  10.750  1.00  7.32           N  
ATOM    465  CA  GLU A  59      -5.573  17.505  10.337  1.00  8.98           C  
ATOM    466  C   GLU A  59      -5.673  16.048  10.761  1.00 10.83           C  
ATOM    467  O   GLU A  59      -6.524  15.647  11.567  1.00 10.01           O  
ATOM    468  CB  GLU A  59      -4.337  18.118  10.974  1.00  9.06           C  
ATOM    469  CG  GLU A  59      -3.993  19.499  10.428  1.00  9.29           C  
ATOM    470  CD  GLU A  59      -4.803  20.624  11.009  1.00  9.82           C  
ATOM    471  OE1 GLU A  59      -5.315  20.525  12.106  1.00  9.78           O  
ATOM    472  OE2 GLU A  59      -4.998  21.627  10.359  1.00 10.81           O  
ATOM    473  N   GLU A  60      -4.737  15.224  10.283  1.00 13.33           N  
ATOM    474  CA  GLU A  60      -4.731  13.798  10.559  1.00 15.84           C  
ATOM    475  C   GLU A  60      -4.709  13.473  12.056  1.00 15.65           C  
ATOM    476  O   GLU A  60      -5.436  12.614  12.547  1.00 15.23           O  
ATOM    477  CB  GLU A  60      -3.535  13.200   9.873  1.00 18.93           C  
ATOM    478  CG  GLU A  60      -4.039  11.956   9.185  1.00 23.48           C  
ATOM    479  CD  GLU A  60      -2.939  11.064   8.627  1.00 26.28           C  
ATOM    480  OE1 GLU A  60      -2.366  11.392   7.591  1.00 27.75           O  
ATOM    481  OE2 GLU A  60      -2.659  10.030   9.236  1.00 28.15           O  
ATOM    482  N   GLU A  61      -3.958  14.274  12.816  1.00 15.07           N  
ATOM    483  CA  GLU A  61      -3.853  14.120  14.252  1.00 15.34           C  
ATOM    484  C   GLU A  61      -5.221  14.295  14.890  1.00 14.34           C  
ATOM    485  O   GLU A  61      -5.588  13.545  15.797  1.00 15.37           O  
ATOM    486  CB  GLU A  61      -2.871  15.161  14.809  1.00 16.07           C  
ATOM    487  CG  GLU A  61      -2.538  14.857  16.257  1.00 17.38           C  
ATOM    488  CD  GLU A  61      -2.144  16.053  17.095  0.00 17.07           C  
ATOM    489  OE1 GLU A  61      -0.994  16.486  16.992  0.00 17.15           O  
ATOM    490  OE2 GLU A  61      -2.997  16.494  17.876  0.00 17.15           O  
ATOM    491  N   GLU A  62      -6.016  15.265  14.457  1.00 12.76           N  
ATOM    492  CA  GLU A  62      -7.353  15.463  14.986  1.00 11.39           C  
ATOM    493  C   GLU A  62      -8.346  14.446  14.445  1.00 11.18           C  
ATOM    494  O   GLU A  62      -9.328  14.135  15.121  1.00 10.84           O  
ATOM    495  CB  GLU A  62      -7.884  16.838  14.645  1.00 10.57           C  
ATOM    496  CG  GLU A  62      -7.008  17.908  15.242  1.00  9.93           C  
ATOM    497  CD  GLU A  62      -7.330  19.284  14.717  1.00 10.00           C  
ATOM    498  OE1 GLU A  62      -7.906  19.451  13.653  1.00  8.35           O  
ATOM    499  OE2 GLU A  62      -6.974  20.267  15.345  1.00 10.23           O  
ATOM    500  N   LEU A  63      -8.155  13.922  13.231  1.00 10.76           N  
ATOM    501  CA  LEU A  63      -9.030  12.878  12.701  1.00 10.42           C  
ATOM    502  C   LEU A  63      -8.931  11.627  13.566  1.00  9.73           C  
ATOM    503  O   LEU A  63      -9.935  10.948  13.801  1.00  9.32           O  
ATOM    504  CB  LEU A  63      -8.643  12.497  11.264  1.00 11.29           C  
ATOM    505  CG  LEU A  63      -9.173  13.345  10.145  1.00 11.89           C  
ATOM    506  CD1 LEU A  63      -8.590  12.798   8.857  1.00 13.13           C  
ATOM    507  CD2 LEU A  63     -10.701  13.313  10.101  1.00 12.08           C  
ATOM    508  N   LYS A  64      -7.720  11.362  14.076  1.00  9.41           N  
ATOM    509  CA  LYS A  64      -7.479  10.241  14.968  1.00 10.32           C  
ATOM    510  C   LYS A  64      -8.323  10.391  16.233  1.00  9.64           C  
ATOM    511  O   LYS A  64      -8.807   9.408  16.799  1.00  9.22           O  
ATOM    512  CB  LYS A  64      -5.992  10.229  15.280  1.00 12.75           C  
ATOM    513  CG  LYS A  64      -5.513   9.117  16.188  1.00 15.79           C  
ATOM    514  CD  LYS A  64      -3.983   9.132  16.253  1.00 17.69           C  
ATOM    515  CE  LYS A  64      -3.449   7.853  16.924  1.00 18.86           C  
ATOM    516  NZ  LYS A  64      -3.199   6.780  15.974  0.00 18.50           N  
ATOM    517  N   GLY A  65      -8.581  11.618  16.664  1.00  9.00           N  
ATOM    518  CA  GLY A  65      -9.334  11.845  17.884  1.00  9.56           C  
ATOM    519  C   GLY A  65     -10.796  12.177  17.622  1.00  9.33           C  
ATOM    520  O   GLY A  65     -11.484  12.660  18.531  1.00  9.83           O  
ATOM    521  N   VAL A  66     -11.360  11.860  16.456  1.00  8.20           N  
ATOM    522  CA  VAL A  66     -12.718  12.253  16.135  1.00  8.87           C  
ATOM    523  C   VAL A  66     -13.758  11.725  17.135  1.00  8.40           C  
ATOM    524  O   VAL A  66     -14.620  12.485  17.576  1.00  8.28           O  
ATOM    525  CB  VAL A  66     -12.998  11.800  14.662  1.00  9.89           C  
ATOM    526  CG1 VAL A  66     -13.061  10.284  14.515  1.00 11.28           C  
ATOM    527  CG2 VAL A  66     -14.302  12.400  14.230  1.00 11.18           C  
ATOM    528  N   LEU A  67     -13.709  10.466  17.589  1.00  8.04           N  
ATOM    529  CA  LEU A  67     -14.694   9.937  18.524  1.00  8.52           C  
ATOM    530  C   LEU A  67     -14.585  10.600  19.884  1.00  9.37           C  
ATOM    531  O   LEU A  67     -15.625  10.857  20.504  1.00 10.08           O  
ATOM    532  CB  LEU A  67     -14.502   8.432  18.642  1.00  9.46           C  
ATOM    533  CG  LEU A  67     -14.766   7.578  17.387  1.00  9.92           C  
ATOM    534  CD1 LEU A  67     -14.327   6.145  17.654  1.00 10.10           C  
ATOM    535  CD2 LEU A  67     -16.225   7.608  17.025  1.00 10.01           C  
ATOM    536  N   LYS A  68     -13.376  10.970  20.346  1.00  9.79           N  
ATOM    537  CA  LYS A  68     -13.193  11.655  21.615  1.00 10.55           C  
ATOM    538  C   LYS A  68     -13.742  13.069  21.546  1.00 10.71           C  
ATOM    539  O   LYS A  68     -14.074  13.644  22.573  1.00 11.03           O  
ATOM    540  CB  LYS A  68     -11.719  11.675  21.995  1.00 11.40           C  
ATOM    541  CG  LYS A  68     -11.281  10.262  22.374  1.00 13.38           C  
ATOM    542  CD  LYS A  68      -9.808  10.190  22.757  1.00 16.15           C  
ATOM    543  CE  LYS A  68      -9.465   8.751  23.178  1.00 18.61           C  
ATOM    544  NZ  LYS A  68      -8.033   8.451  23.218  1.00 20.76           N  
ATOM    545  N   GLY A  69     -13.943  13.640  20.347  1.00 10.58           N  
ATOM    546  CA  GLY A  69     -14.604  14.927  20.210  1.00 10.43           C  
ATOM    547  C   GLY A  69     -16.074  14.803  20.598  1.00 10.72           C  
ATOM    548  O   GLY A  69     -16.715  15.773  21.009  1.00 12.56           O  
ATOM    549  N   PHE A  70     -16.657  13.599  20.493  1.00  9.80           N  
ATOM    550  CA  PHE A  70     -18.066  13.387  20.812  1.00  9.04           C  
ATOM    551  C   PHE A  70     -18.230  12.910  22.225  1.00  8.77           C  
ATOM    552  O   PHE A  70     -19.208  13.243  22.911  1.00  9.16           O  
ATOM    553  CB  PHE A  70     -18.670  12.363  19.848  1.00  8.16           C  
ATOM    554  CG  PHE A  70     -18.830  12.917  18.432  1.00  8.20           C  
ATOM    555  CD1 PHE A  70     -17.756  12.952  17.570  1.00  7.81           C  
ATOM    556  CD2 PHE A  70     -20.057  13.397  18.026  1.00  8.46           C  
ATOM    557  CE1 PHE A  70     -17.911  13.461  16.308  1.00  7.25           C  
ATOM    558  CE2 PHE A  70     -20.201  13.901  16.752  1.00  8.61           C  
ATOM    559  CZ  PHE A  70     -19.127  13.939  15.896  1.00  7.75           C  
ATOM    560  N   SER A  71     -17.272  12.098  22.667  1.00  8.70           N  
ATOM    561  CA  SER A  71     -17.303  11.576  24.010  1.00  8.94           C  
ATOM    562  C   SER A  71     -15.908  11.198  24.459  1.00  9.04           C  
ATOM    563  O   SER A  71     -15.160  10.524  23.760  1.00  9.30           O  
ATOM    564  CB  SER A  71     -18.212  10.353  24.062  1.00  9.48           C  
ATOM    565  OG  SER A  71     -18.211   9.797  25.372  1.00 11.03           O  
ATOM    566  N   ALA A  72     -15.628  11.583  25.698  1.00 11.32           N  
ATOM    567  CA  ALA A  72     -14.395  11.186  26.363  1.00 11.93           C  
ATOM    568  C   ALA A  72     -14.357   9.677  26.581  1.00 11.73           C  
ATOM    569  O   ALA A  72     -13.285   9.184  26.938  1.00 14.10           O  
ATOM    570  CB  ALA A  72     -14.258  11.828  27.737  1.00 13.43           C  
ATOM    571  N   HIS A  73     -15.482   8.933  26.464  1.00 10.12           N  
ATOM    572  CA  HIS A  73     -15.424   7.473  26.559  1.00  9.33           C  
ATOM    573  C   HIS A  73     -15.003   6.820  25.243  1.00  8.69           C  
ATOM    574  O   HIS A  73     -14.804   5.599  25.194  1.00  8.71           O  
ATOM    575  CB  HIS A  73     -16.772   6.871  26.963  1.00  9.04           C  
ATOM    576  CG  HIS A  73     -17.305   7.432  28.281  1.00 10.66           C  
ATOM    577  ND1 HIS A  73     -18.582   7.622  28.598  1.00 11.75           N  
ATOM    578  CD2 HIS A  73     -16.562   7.884  29.345  1.00 11.60           C  
ATOM    579  CE1 HIS A  73     -18.659   8.171  29.782  1.00 11.61           C  
ATOM    580  NE2 HIS A  73     -17.437   8.321  30.221  1.00 11.37           N  
ATOM    581  N   GLY A  74     -14.892   7.590  24.148  1.00  8.28           N  
ATOM    582  CA  GLY A  74     -14.491   7.013  22.879  1.00  8.53           C  
ATOM    583  C   GLY A  74     -13.013   6.638  22.883  1.00  8.22           C  
ATOM    584  O   GLY A  74     -12.232   6.959  23.780  1.00  9.46           O  
ATOM    585  N   ARG A  75     -12.627   5.934  21.845  1.00  8.14           N  
ATOM    586  CA  ARG A  75     -11.251   5.501  21.628  1.00  8.08           C  
ATOM    587  C   ARG A  75     -10.658   6.287  20.460  1.00  7.33           C  
ATOM    588  O   ARG A  75     -11.386   6.963  19.739  1.00  7.58           O  
ATOM    589  CB  ARG A  75     -11.214   4.013  21.274  1.00  7.85           C  
ATOM    590  CG  ARG A  75     -12.044   3.735  20.011  1.00  7.56           C  
ATOM    591  CD  ARG A  75     -11.645   2.446  19.314  1.00  7.55           C  
ATOM    592  NE  ARG A  75     -12.516   2.191  18.170  1.00  6.98           N  
ATOM    593  CZ  ARG A  75     -12.148   2.384  16.901  1.00  6.37           C  
ATOM    594  NH1 ARG A  75     -10.946   2.917  16.604  1.00  6.30           N  
ATOM    595  NH2 ARG A  75     -13.001   2.062  15.918  1.00  6.78           N  
ATOM    596  N   ASP A  76      -9.364   6.206  20.246  1.00  7.29           N  
ATOM    597  CA  ASP A  76      -8.756   6.814  19.081  1.00  9.01           C  
ATOM    598  C   ASP A  76      -8.951   5.894  17.888  1.00  8.63           C  
ATOM    599  O   ASP A  76      -9.161   4.678  18.045  1.00  9.01           O  
ATOM    600  CB  ASP A  76      -7.267   6.999  19.227  1.00 11.28           C  
ATOM    601  CG  ASP A  76      -6.803   8.153  20.096  1.00 13.46           C  
ATOM    602  OD1 ASP A  76      -7.537   9.088  20.415  1.00 14.64           O  
ATOM    603  OD2 ASP A  76      -5.659   8.098  20.514  1.00 15.64           O  
ATOM    604  N   LEU A  77      -8.954   6.457  16.675  1.00  7.92           N  
ATOM    605  CA  LEU A  77      -9.001   5.658  15.450  1.00  6.92           C  
ATOM    606  C   LEU A  77      -7.597   5.157  15.170  1.00  8.26           C  
ATOM    607  O   LEU A  77      -6.595   5.774  15.600  1.00  9.21           O  
ATOM    608  CB  LEU A  77      -9.449   6.483  14.253  1.00  7.18           C  
ATOM    609  CG  LEU A  77     -10.807   7.152  14.300  1.00  7.88           C  
ATOM    610  CD1 LEU A  77     -11.145   7.660  12.895  1.00  8.71           C  
ATOM    611  CD2 LEU A  77     -11.875   6.178  14.761  1.00  8.15           C  
ATOM    612  N   ASN A  78      -7.455   3.994  14.525  1.00  7.85           N  
ATOM    613  CA  ASN A  78      -6.129   3.514  14.213  1.00  7.92           C  
ATOM    614  C   ASN A  78      -5.723   4.069  12.860  1.00  9.10           C  
ATOM    615  O   ASN A  78      -6.496   4.800  12.211  1.00  8.50           O  
ATOM    616  CB  ASN A  78      -6.072   1.966  14.243  1.00  8.21           C  
ATOM    617  CG  ASN A  78      -6.811   1.187  13.173  1.00  7.99           C  
ATOM    618  OD1 ASN A  78      -7.176   1.691  12.111  1.00  8.44           O  
ATOM    619  ND2 ASN A  78      -7.029  -0.084  13.448  1.00  8.44           N  
ATOM    620  N   ASP A  79      -4.513   3.789  12.384  1.00 10.33           N  
ATOM    621  CA  ASP A  79      -4.042   4.480  11.194  1.00 11.74           C  
ATOM    622  C   ASP A  79      -4.811   4.046   9.964  1.00 10.44           C  
ATOM    623  O   ASP A  79      -5.084   4.882   9.100  1.00 10.64           O  
ATOM    624  CB  ASP A  79      -2.512   4.233  11.036  1.00 15.60           C  
ATOM    625  CG  ASP A  79      -1.609   4.936  12.082  1.00 18.33           C  
ATOM    626  OD1 ASP A  79      -2.093   5.507  13.098  1.00 21.59           O  
ATOM    627  OD2 ASP A  79      -0.397   4.903  11.910  0.00 18.43           O  
ATOM    628  N   THR A  80      -5.285   2.799   9.887  1.00  8.51           N  
ATOM    629  CA  THR A  80      -6.049   2.377   8.723  1.00  8.59           C  
ATOM    630  C   THR A  80      -7.374   3.131   8.663  1.00  7.00           C  
ATOM    631  O   THR A  80      -7.808   3.595   7.605  1.00  5.94           O  
ATOM    632  CB  THR A  80      -6.294   0.866   8.788  1.00  9.19           C  
ATOM    633  OG1 THR A  80      -5.008   0.256   8.898  1.00  9.99           O  
ATOM    634  CG2 THR A  80      -7.042   0.333   7.563  1.00  9.05           C  
ATOM    635  N   GLU A  81      -7.995   3.338   9.825  1.00  6.57           N  
ATOM    636  CA  GLU A  81      -9.255   4.067   9.890  1.00  6.88           C  
ATOM    637  C   GLU A  81      -9.075   5.561   9.571  1.00  6.36           C  
ATOM    638  O   GLU A  81      -9.894   6.167   8.880  1.00  5.91           O  
ATOM    639  CB  GLU A  81      -9.873   3.916  11.283  1.00  5.56           C  
ATOM    640  CG  GLU A  81     -10.371   2.530  11.626  1.00  5.64           C  
ATOM    641  CD  GLU A  81     -10.770   2.379  13.090  1.00  5.32           C  
ATOM    642  OE1 GLU A  81     -10.050   2.761  13.996  1.00  6.37           O  
ATOM    643  OE2 GLU A  81     -11.805   1.834  13.397  1.00  5.24           O  
ATOM    644  N   THR A  82      -7.971   6.151  10.020  1.00  6.94           N  
ATOM    645  CA  THR A  82      -7.691   7.546   9.735  1.00  8.65           C  
ATOM    646  C   THR A  82      -7.426   7.733   8.236  1.00  8.47           C  
ATOM    647  O   THR A  82      -8.000   8.621   7.601  1.00  8.99           O  
ATOM    648  CB  THR A  82      -6.487   7.942  10.607  1.00 10.69           C  
ATOM    649  OG1 THR A  82      -6.913   7.741  11.977  1.00 12.77           O  
ATOM    650  CG2 THR A  82      -6.086   9.377  10.460  1.00 12.17           C  
ATOM    651  N   LYS A  83      -6.629   6.859   7.615  1.00  8.75           N  
ATOM    652  CA  LYS A  83      -6.376   6.921   6.167  1.00  9.36           C  
ATOM    653  C   LYS A  83      -7.647   6.747   5.353  1.00  7.99           C  
ATOM    654  O   LYS A  83      -7.843   7.447   4.368  1.00  7.28           O  
ATOM    655  CB  LYS A  83      -5.378   5.841   5.738  1.00 11.78           C  
ATOM    656  CG  LYS A  83      -3.960   6.199   6.121  1.00 14.32           C  
ATOM    657  CD  LYS A  83      -2.971   5.526   5.153  1.00 15.82           C  
ATOM    658  CE  LYS A  83      -2.047   6.640   4.632  0.00 15.48           C  
ATOM    659  NZ  LYS A  83      -0.789   6.117   4.136  0.00 15.63           N  
ATOM    660  N   ALA A  84      -8.568   5.870   5.765  1.00  7.67           N  
ATOM    661  CA  ALA A  84      -9.808   5.700   5.045  1.00  7.33           C  
ATOM    662  C   ALA A  84     -10.627   6.983   5.094  1.00  7.28           C  
ATOM    663  O   ALA A  84     -11.268   7.346   4.105  1.00  7.35           O  
ATOM    664  CB  ALA A  84     -10.615   4.590   5.660  1.00  7.52           C  
ATOM    665  N   LEU A  85     -10.612   7.742   6.205  1.00  7.11           N  
ATOM    666  CA  LEU A  85     -11.345   9.003   6.236  1.00  7.64           C  
ATOM    667  C   LEU A  85     -10.746   9.990   5.254  1.00  7.42           C  
ATOM    668  O   LEU A  85     -11.506  10.680   4.576  1.00  7.24           O  
ATOM    669  CB  LEU A  85     -11.324   9.612   7.623  1.00  7.69           C  
ATOM    670  CG  LEU A  85     -12.188   8.884   8.634  1.00  8.90           C  
ATOM    671  CD1 LEU A  85     -12.058   9.558   9.985  1.00 10.19           C  
ATOM    672  CD2 LEU A  85     -13.630   8.923   8.205  1.00  9.24           C  
ATOM    673  N   LEU A  86      -9.413  10.053   5.126  1.00  7.43           N  
ATOM    674  CA  LEU A  86      -8.813  10.930   4.112  1.00  8.21           C  
ATOM    675  C   LEU A  86      -9.128  10.428   2.710  1.00  8.30           C  
ATOM    676  O   LEU A  86      -9.479  11.220   1.830  1.00  7.98           O  
ATOM    677  CB  LEU A  86      -7.323  10.995   4.321  1.00  8.75           C  
ATOM    678  CG  LEU A  86      -6.848  11.710   5.568  1.00 10.00           C  
ATOM    679  CD1 LEU A  86      -5.352  11.525   5.729  1.00 10.76           C  
ATOM    680  CD2 LEU A  86      -7.172  13.188   5.455  1.00 10.72           C  
ATOM    681  N   ALA A  87      -9.118   9.117   2.482  1.00  8.07           N  
ATOM    682  CA  ALA A  87      -9.460   8.550   1.184  1.00  8.28           C  
ATOM    683  C   ALA A  87     -10.859   8.949   0.714  1.00  8.38           C  
ATOM    684  O   ALA A  87     -11.092   9.344  -0.439  1.00  9.53           O  
ATOM    685  CB  ALA A  87      -9.362   7.035   1.278  1.00  7.94           C  
ATOM    686  N   ALA A  88     -11.805   8.972   1.640  1.00  9.32           N  
ATOM    687  CA  ALA A  88     -13.173   9.336   1.333  1.00  8.84           C  
ATOM    688  C   ALA A  88     -13.457  10.827   1.343  1.00  8.81           C  
ATOM    689  O   ALA A  88     -14.355  11.255   0.611  1.00 10.44           O  
ATOM    690  CB  ALA A  88     -14.137   8.712   2.325  1.00  9.24           C  
ATOM    691  N   GLY A  89     -12.748  11.641   2.115  1.00  7.36           N  
ATOM    692  CA  GLY A  89     -13.146  13.029   2.264  1.00  7.03           C  
ATOM    693  C   GLY A  89     -12.200  14.082   1.743  1.00  6.73           C  
ATOM    694  O   GLY A  89     -12.631  15.218   1.505  1.00  6.75           O  
ATOM    695  N   ASP A  90     -10.914  13.774   1.580  1.00  6.69           N  
ATOM    696  CA  ASP A  90      -9.964  14.778   1.173  1.00  6.77           C  
ATOM    697  C   ASP A  90      -9.930  15.006  -0.348  1.00  7.11           C  
ATOM    698  O   ASP A  90      -9.043  14.556  -1.069  1.00  8.33           O  
ATOM    699  CB  ASP A  90      -8.597  14.364   1.704  1.00  7.22           C  
ATOM    700  CG  ASP A  90      -7.516  15.366   1.410  1.00  7.33           C  
ATOM    701  OD1 ASP A  90      -7.800  16.517   1.116  1.00  7.90           O  
ATOM    702  OD2 ASP A  90      -6.357  15.039   1.449  1.00  7.53           O  
ATOM    703  N   SER A  91     -10.897  15.778  -0.797  1.00  7.90           N  
ATOM    704  CA  SER A  91     -11.106  16.116  -2.194  1.00 10.40           C  
ATOM    705  C   SER A  91      -9.962  16.789  -2.913  1.00 10.40           C  
ATOM    706  O   SER A  91      -9.671  16.454  -4.063  1.00 10.32           O  
ATOM    707  CB  SER A  91     -12.315  17.018  -2.316  1.00 11.92           C  
ATOM    708  OG  SER A  91     -13.415  16.235  -1.895  1.00 15.80           O  
ATOM    709  N   ASP A  92      -9.324  17.751  -2.248  1.00 10.72           N  
ATOM    710  CA  ASP A  92      -8.244  18.498  -2.880  1.00 11.17           C  
ATOM    711  C   ASP A  92      -6.876  17.938  -2.565  1.00 10.90           C  
ATOM    712  O   ASP A  92      -5.868  18.531  -2.922  1.00 12.07           O  
ATOM    713  CB  ASP A  92      -8.298  19.992  -2.473  1.00 10.04           C  
ATOM    714  CG  ASP A  92      -8.228  20.276  -1.000  1.00 10.77           C  
ATOM    715  OD1 ASP A  92      -7.862  19.388  -0.226  1.00  9.56           O  
ATOM    716  OD2 ASP A  92      -8.613  21.353  -0.589  1.00 11.59           O  
ATOM    717  N   HIS A  93      -6.815  16.772  -1.925  1.00 11.10           N  
ATOM    718  CA  HIS A  93      -5.575  16.049  -1.659  1.00 12.30           C  
ATOM    719  C   HIS A  93      -4.481  16.819  -0.921  1.00 11.54           C  
ATOM    720  O   HIS A  93      -3.296  16.577  -1.157  1.00 11.88           O  
ATOM    721  CB  HIS A  93      -4.963  15.516  -2.959  1.00 15.00           C  
ATOM    722  CG  HIS A  93      -5.935  14.772  -3.857  1.00 18.04           C  
ATOM    723  ND1 HIS A  93      -6.665  13.694  -3.564  1.00 19.88           N  
ATOM    724  CD2 HIS A  93      -6.188  15.133  -5.158  1.00 19.17           C  
ATOM    725  CE1 HIS A  93      -7.353  13.389  -4.636  1.00 20.25           C  
ATOM    726  NE2 HIS A  93      -7.059  14.256  -5.581  1.00 20.79           N  
ATOM    727  N   ASP A  94      -4.838  17.717  -0.006  1.00 10.25           N  
ATOM    728  CA  ASP A  94      -3.836  18.430   0.787  1.00 10.28           C  
ATOM    729  C   ASP A  94      -3.526  17.709   2.102  1.00 10.90           C  
ATOM    730  O   ASP A  94      -2.749  18.184   2.935  1.00 11.22           O  
ATOM    731  CB  ASP A  94      -4.331  19.860   1.057  1.00 10.23           C  
ATOM    732  CG  ASP A  94      -5.528  20.002   1.979  1.00 10.87           C  
ATOM    733  OD1 ASP A  94      -6.175  19.008   2.324  1.00  9.90           O  
ATOM    734  OD2 ASP A  94      -5.850  21.107   2.396  1.00 10.41           O  
ATOM    735  N   GLY A  95      -4.168  16.557   2.333  1.00 10.19           N  
ATOM    736  CA  GLY A  95      -3.883  15.730   3.495  1.00 11.00           C  
ATOM    737  C   GLY A  95      -4.675  16.086   4.736  1.00 10.86           C  
ATOM    738  O   GLY A  95      -4.384  15.583   5.819  1.00 10.76           O  
ATOM    739  N   LYS A  96      -5.669  16.952   4.643  1.00 10.58           N  
ATOM    740  CA  LYS A  96      -6.494  17.297   5.802  1.00 10.78           C  
ATOM    741  C   LYS A  96      -7.921  17.581   5.363  1.00  9.59           C  
ATOM    742  O   LYS A  96      -8.187  17.735   4.160  1.00  9.59           O  
ATOM    743  CB  LYS A  96      -5.884  18.516   6.541  1.00 13.19           C  
ATOM    744  CG  LYS A  96      -5.494  19.629   5.634  1.00 14.86           C  
ATOM    745  CD  LYS A  96      -4.512  20.510   6.337  1.00 16.57           C  
ATOM    746  CE  LYS A  96      -3.685  21.094   5.216  1.00 19.04           C  
ATOM    747  NZ  LYS A  96      -3.396  22.478   5.497  1.00 20.03           N  
ATOM    748  N   ILE A  97      -8.892  17.642   6.274  1.00  8.07           N  
ATOM    749  CA  ILE A  97     -10.293  17.838   5.933  1.00  7.82           C  
ATOM    750  C   ILE A  97     -10.745  19.259   6.232  1.00  8.00           C  
ATOM    751  O   ILE A  97     -10.689  19.709   7.371  1.00  7.35           O  
ATOM    752  CB  ILE A  97     -11.162  16.828   6.733  1.00  9.17           C  
ATOM    753  CG1 ILE A  97     -10.740  15.391   6.375  1.00  9.90           C  
ATOM    754  CG2 ILE A  97     -12.654  17.056   6.444  1.00  9.08           C  
ATOM    755  CD1 ILE A  97     -10.820  15.030   4.884  1.00 11.19           C  
ATOM    756  N   GLY A  98     -11.128  19.996   5.207  1.00  7.95           N  
ATOM    757  CA  GLY A  98     -11.651  21.333   5.389  1.00  8.53           C  
ATOM    758  C   GLY A  98     -13.134  21.275   5.691  1.00  8.42           C  
ATOM    759  O   GLY A  98     -13.781  20.238   5.582  1.00  8.04           O  
ATOM    760  N   ALA A  99     -13.712  22.423   6.025  1.00  9.00           N  
ATOM    761  CA  ALA A  99     -15.119  22.517   6.373  1.00  9.60           C  
ATOM    762  C   ALA A  99     -16.061  22.070   5.274  1.00 10.18           C  
ATOM    763  O   ALA A  99     -17.015  21.335   5.541  1.00  9.82           O  
ATOM    764  CB  ALA A  99     -15.453  23.953   6.747  1.00  9.29           C  
ATOM    765  N   ASP A 100     -15.868  22.455   4.014  1.00 11.01           N  
ATOM    766  CA  ASP A 100     -16.804  21.998   3.002  1.00 12.24           C  
ATOM    767  C   ASP A 100     -16.534  20.560   2.636  1.00  9.50           C  
ATOM    768  O   ASP A 100     -17.455  19.851   2.217  1.00 10.17           O  
ATOM    769  CB  ASP A 100     -16.742  22.934   1.774  1.00 16.93           C  
ATOM    770  CG  ASP A 100     -17.288  24.293   2.236  1.00 21.11           C  
ATOM    771  OD1 ASP A 100     -18.500  24.456   2.429  1.00 22.93           O  
ATOM    772  OD2 ASP A 100     -16.511  25.153   2.667  1.00 23.78           O  
ATOM    773  N   GLU A 101     -15.317  20.043   2.820  1.00  7.85           N  
ATOM    774  CA  GLU A 101     -15.083  18.613   2.623  1.00  7.12           C  
ATOM    775  C   GLU A 101     -15.825  17.814   3.678  1.00  6.15           C  
ATOM    776  O   GLU A 101     -16.497  16.836   3.362  1.00  6.21           O  
ATOM    777  CB  GLU A 101     -13.618  18.249   2.712  1.00  6.49           C  
ATOM    778  CG  GLU A 101     -12.883  18.789   1.480  1.00  7.14           C  
ATOM    779  CD  GLU A 101     -11.405  18.586   1.582  1.00  7.98           C  
ATOM    780  OE1 GLU A 101     -10.841  18.632   2.676  1.00  7.84           O  
ATOM    781  OE2 GLU A 101     -10.710  18.392   0.599  1.00  9.29           O  
ATOM    782  N   PHE A 102     -15.818  18.301   4.913  1.00  6.08           N  
ATOM    783  CA  PHE A 102     -16.533  17.654   5.997  1.00  5.54           C  
ATOM    784  C   PHE A 102     -18.033  17.673   5.726  1.00  5.39           C  
ATOM    785  O   PHE A 102     -18.718  16.659   5.897  1.00  4.99           O  
ATOM    786  CB  PHE A 102     -16.239  18.374   7.325  1.00  5.39           C  
ATOM    787  CG  PHE A 102     -16.850  17.668   8.521  1.00  6.20           C  
ATOM    788  CD1 PHE A 102     -16.259  16.530   9.041  1.00  7.15           C  
ATOM    789  CD2 PHE A 102     -18.003  18.192   9.088  1.00  7.03           C  
ATOM    790  CE1 PHE A 102     -16.847  15.912  10.145  1.00  7.08           C  
ATOM    791  CE2 PHE A 102     -18.575  17.575  10.180  1.00  7.49           C  
ATOM    792  CZ  PHE A 102     -17.995  16.443  10.704  1.00  7.00           C  
ATOM    793  N   ALA A 103     -18.574  18.808   5.295  1.00  5.80           N  
ATOM    794  CA  ALA A 103     -19.999  18.900   5.002  1.00  7.11           C  
ATOM    795  C   ALA A 103     -20.410  17.919   3.894  1.00  7.33           C  
ATOM    796  O   ALA A 103     -21.499  17.329   3.898  1.00  6.51           O  
ATOM    797  CB  ALA A 103     -20.301  20.347   4.590  1.00  7.65           C  
ATOM    798  N   LYS A 104     -19.520  17.730   2.908  1.00  8.00           N  
ATOM    799  CA  LYS A 104     -19.756  16.779   1.818  1.00 10.31           C  
ATOM    800  C   LYS A 104     -19.817  15.353   2.316  1.00  9.94           C  
ATOM    801  O   LYS A 104     -20.721  14.626   1.894  1.00  9.20           O  
ATOM    802  CB  LYS A 104     -18.662  16.846   0.797  1.00 12.41           C  
ATOM    803  CG  LYS A 104     -19.069  16.183  -0.508  1.00 15.78           C  
ATOM    804  CD  LYS A 104     -18.281  16.758  -1.698  1.00 17.93           C  
ATOM    805  CE  LYS A 104     -18.748  18.159  -2.159  1.00 18.87           C  
ATOM    806  NZ  LYS A 104     -18.867  19.092  -1.049  0.00 18.54           N  
ATOM    807  N   MET A 105     -18.880  14.991   3.205  1.00  9.10           N  
ATOM    808  CA  MET A 105     -18.867  13.660   3.771  1.00  9.08           C  
ATOM    809  C   MET A 105     -20.159  13.394   4.496  1.00  8.95           C  
ATOM    810  O   MET A 105     -20.746  12.334   4.308  1.00  8.64           O  
ATOM    811  CB  MET A 105     -17.719  13.479   4.755  1.00 10.40           C  
ATOM    812  CG  MET A 105     -16.367  13.512   4.105  1.00 12.09           C  
ATOM    813  SD  MET A 105     -15.076  13.409   5.376  1.00 14.60           S  
ATOM    814  CE  MET A 105     -15.124  11.654   5.557  1.00 14.50           C  
ATOM    815  N   VAL A 106     -20.666  14.352   5.284  1.00  8.48           N  
ATOM    816  CA  VAL A 106     -21.949  14.166   5.950  1.00  8.89           C  
ATOM    817  C   VAL A 106     -23.070  14.037   4.903  1.00  9.99           C  
ATOM    818  O   VAL A 106     -23.974  13.202   5.044  1.00 11.21           O  
ATOM    819  CB  VAL A 106     -22.207  15.361   6.889  1.00  8.40           C  
ATOM    820  CG1 VAL A 106     -23.570  15.240   7.571  1.00  9.00           C  
ATOM    821  CG2 VAL A 106     -21.130  15.388   7.943  1.00  8.72           C  
ATOM    822  N   ALA A 107     -23.044  14.806   3.812  1.00 10.78           N  
ATOM    823  CA  ALA A 107     -24.085  14.755   2.788  1.00 12.31           C  
ATOM    824  C   ALA A 107     -24.136  13.414   2.064  1.00 13.33           C  
ATOM    825  O   ALA A 107     -25.231  12.900   1.810  1.00 13.10           O  
ATOM    826  CB  ALA A 107     -23.877  15.823   1.726  1.00 11.25           C  
ATOM    827  N   GLN A 108     -22.988  12.790   1.827  1.00 15.24           N  
ATOM    828  CA  GLN A 108     -22.952  11.529   1.125  1.00 17.79           C  
ATOM    829  C   GLN A 108     -23.132  10.270   1.946  1.00 19.16           C  
ATOM    830  O   GLN A 108     -23.156   9.169   1.364  1.00 19.75           O  
ATOM    831  CB  GLN A 108     -21.649  11.419   0.367  1.00 19.09           C  
ATOM    832  CG  GLN A 108     -20.392  11.319   1.177  1.00 20.70           C  
ATOM    833  CD  GLN A 108     -19.172  11.640   0.335  1.00 22.16           C  
ATOM    834  OE1 GLN A 108     -18.045  11.265   0.666  1.00 23.48           O  
ATOM    835  NE2 GLN A 108     -19.292  12.356  -0.770  1.00 22.39           N  
ATOM    836  N   ALA A 109     -23.201  10.437   3.268  1.00 20.12           N  
ATOM    837  CA  ALA A 109     -23.324   9.320   4.180  1.00 22.00           C  
ATOM    838  C   ALA A 109     -24.648   8.555   4.036  1.00 22.85           C  
ATOM    839  O   ALA A 109     -25.697   9.172   3.897  1.00 23.81           O  
ATOM    840  CB  ALA A 109     -23.184   9.838   5.621  1.00 20.55           C  
ATOM    841  OXT ALA A 109     -24.667   7.328   4.091  1.00 24.19           O  
TER     842      ALA A 109                                                      
HETATM  843 CA    CA A 110      -8.485  18.639   1.916  1.00  6.06          CA  
HETATM  844 CA    CA A 111      -7.099  21.701  13.205  1.00  7.74          CA  
HETATM  845  O   HOH A 201     -22.125   1.422   6.492  1.00 79.75           O  
HETATM  846  O   HOH A 202     -28.573  13.415  17.361  1.00  8.18           O  
HETATM  847  O   HOH A 203     -10.842  16.090  16.596  1.00 15.51           O  
HETATM  848  O   HOH A 204     -11.308   9.067  17.916  1.00 11.43           O  
HETATM  849  O   HOH A 205      -7.537   4.226   2.592  1.00 12.54           O  
HETATM  850  O   HOH A 206      -7.354   2.698   4.962  1.00 13.73           O  
HETATM  851  O   HOH A 207     -20.252   8.894  26.756  1.00 12.70           O  
HETATM  852  O   HOH A 208     -24.487   4.083   6.700  1.00 30.42           O  
HETATM  853  O   HOH A 209     -14.767   5.283   7.291  1.00 12.56           O  
HETATM  854  O   HOH A 210     -11.828   2.174   8.089  1.00 16.58           O  
HETATM  855  O   HOH A 211     -12.518   4.805   8.836  1.00  9.38           O  
HETATM  856  O   HOH A 212     -25.240  21.338  24.851  1.00 10.39           O  
HETATM  857  O   HOH A 213     -15.724   4.474  20.662  1.00 10.89           O  
HETATM  858  O   HOH A 214     -12.178  -4.930  16.758  1.00 10.63           O  
HETATM  859  O   HOH A 215     -16.995  -1.741  18.058  1.00 17.53           O  
HETATM  860  O   HOH A 216     -30.774  12.258  24.159  1.00 12.56           O  
HETATM  861  O   HOH A 217     -26.662   9.665  27.120  1.00 12.82           O  
HETATM  862  O   HOH A 218     -18.601  -1.414  12.102  1.00 22.40           O  
HETATM  863  O   HOH A 219     -17.543   7.391   0.253  1.00 16.88           O  
HETATM  864  O   HOH A 220     -26.651   3.071   8.144  1.00 23.65           O  
HETATM  865  O   HOH A 221     -24.506  27.897   4.178  1.00 18.86           O  
HETATM  866  O   HOH A 222       0.216  20.066  15.105  1.00 40.90           O  
HETATM  867  O   HOH A 223      -3.884  26.455  14.694  1.00 18.51           O  
HETATM  868  O   HOH A 224      -2.916  22.837   8.673  1.00 21.46           O  
HETATM  869  O   HOH A 225     -27.644  26.496   7.485  1.00 14.05           O  
HETATM  870  O   HOH A 226     -32.318  20.986  11.597  1.00 25.21           O  
HETATM  871  O   HOH A 227     -21.553  28.976  18.118  1.00 36.94           O  
HETATM  872  O   HOH A 228     -12.886  25.805  12.786  1.00 29.61           O  
HETATM  873  O   HOH A 229      -7.495   4.632  21.815  1.00 25.63           O  
HETATM  874  O   HOH A 230      -3.672   0.634  11.519  1.00 31.52           O  
HETATM  875  O   HOH A 231     -13.933   6.166   4.598  1.00  8.56           O  
HETATM  876  O   HOH A 232      -4.991  12.702   1.469  1.00 34.38           O  
HETATM  877  O   HOH A 233     -11.857  20.395  -1.432  1.00 20.83           O  
HETATM  878  O   HOH A 234      -8.918  11.698  -1.344  1.00 26.40           O  
HETATM  879  O   HOH A 235     -23.859  18.506   5.103  1.00 20.57           O  
HETATM  880  O   HOH A 236     -15.414  15.537   0.983  1.00 11.17           O  
HETATM  881  O   HOH A 237     -15.393  17.927  -1.535  1.00 32.61           O  
HETATM  882  O   HOH A 238       1.143  21.917  17.310  1.00 54.37           O  
HETATM  883  O   HOH A 239      -4.233  23.517   2.607  1.00 32.06           O  
HETATM  884  O   HOH A 240     -13.330  22.282   2.293  1.00 18.11           O  
HETATM  885  O   HOH A 241      -7.789  23.059   1.424  1.00 35.23           O  
HETATM  886  O   HOH A 242     -21.851  17.513  24.542  1.00 34.80           O  
HETATM  887  O   HOH A 243     -28.757   6.790  16.957  1.00 56.64           O  
HETATM  888  O   HOH A 244     -18.649  24.669  18.063  1.00 40.92           O  
HETATM  889  O   HOH A 245     -30.542   6.886  20.591  1.00 50.10           O  
HETATM  890  O   HOH A 246      -8.593  20.898   3.107  1.00 11.54           O  
HETATM  891  O   HOH A 247      -4.793  19.590  17.282  1.00 51.86           O  
HETATM  892  O   HOH A 248      -1.475  21.827  16.448  1.00 29.17           O  
HETATM  893  O   HOH A 249     -20.210  -2.421  19.636  1.00 28.64           O  
HETATM  894  O   HOH A 250     -17.189  -6.154  21.700  1.00 30.19           O  
HETATM  895  O   HOH A 251     -13.036   0.001   9.476  1.00 20.24           O  
HETATM  896  O   HOH A 252     -10.664   0.704   5.880  1.00 17.09           O  
HETATM  897  O   HOH A 253     -15.367  -0.413   7.964  1.00 30.31           O  
HETATM  898  O   HOH A 254     -15.926   9.426  -1.204  1.00 32.11           O  
HETATM  899  O   HOH A 255     -30.815  14.442  15.947  1.00 34.17           O  
HETATM  900  O   HOH A 256     -14.093  -2.012   5.878  1.00 33.99           O  
HETATM  901  O   HOH A 257     -12.386  25.446  16.041  1.00 40.02           O  
HETATM  902  O   HOH A 258     -11.513  15.481  19.092  1.00 22.02           O  
HETATM  903  O   HOH A 259     -12.815  22.750  19.682  1.00 42.67           O  
HETATM  904  O   HOH A 260      -6.558  13.824  18.486  1.00 73.90           O  
HETATM  905  O   HOH A 261      -3.499  19.268  14.317  1.00 24.62           O  
HETATM  906  O   HOH A 262     -16.465  26.133   9.759  1.00 47.74           O  
HETATM  907  O   HOH A 263      -4.393  26.971   8.764  1.00 41.06           O  
HETATM  908  O   HOH A 264      -2.875  16.379   8.272  1.00 17.37           O  
HETATM  909  O   HOH A 265     -21.089  23.144   2.128  1.00 37.48           O  
HETATM  910  O   HOH A 266     -12.910  14.014  24.880  1.00 48.75           O  
HETATM  911  O   HOH A 267      -2.600   2.397  14.325  1.00 23.06           O  
HETATM  912  O   HOH A 268      -2.365  13.653   5.884  1.00 24.92           O  
HETATM  913  O   HOH A 269     -19.708  16.074  23.384  1.00 55.75           O  
HETATM  914  O   HOH A 270     -19.403  -5.001  20.425  1.00 49.61           O  
HETATM  915  O   HOH A 271       2.260  22.250   1.783  1.00 31.15           O  
HETATM  916  O   HOH A 272     -11.855  24.764   6.052  1.00 21.40           O  
HETATM  917  O   HOH A 273      -5.810   8.116   2.479  1.00 34.06           O  
HETATM  918  O   HOH A 274      -5.322   5.686   1.157  1.00 56.14           O  
HETATM  919  O   HOH A 275     -23.703  11.851  25.371  1.00 22.23           O  
HETATM  920  O   HOH A 276     -12.969  -4.398   5.170  1.00 51.26           O  
HETATM  921  O   HOH A 277     -17.569  -4.310  18.544  1.00 41.05           O  
HETATM  922  O   HOH A 278     -32.771  20.617   8.889  1.00 39.04           O  
HETATM  923  O   HOH A 279     -32.343  21.736   6.262  1.00 52.92           O  
HETATM  924  O   HOH A 281     -23.808  30.281  19.003  1.00 27.36           O  
HETATM  925  O   HOH A 282      -1.056  18.647  13.085  1.00 51.68           O  
HETATM  926  O   HOH A 283     -10.238  22.503   2.092  1.00 37.50           O  
HETATM  927  O   HOH A 285      -5.060   3.986  20.283  1.00 59.41           O  
HETATM  928  O   HOH A 287     -15.644  15.264  24.593  1.00 42.09           O  
HETATM  929  O   HOH A 288      -3.083   1.224   7.187  1.00 43.54           O  
HETATM  930  O   HOH A 289      -5.889  10.088   0.642  1.00 65.68           O  
HETATM  931  O   HOH A 291     -11.249  25.074   3.327  1.00 46.34           O  
HETATM  932  O   HOH A 292      -1.577  15.993  11.598  1.00 31.07           O  
HETATM  933  O   HOH A 293      -2.500  12.452   3.075  1.00 46.27           O  
HETATM  934  O   HOH A 294     -26.371   3.319  23.805  1.00 56.78           O  
HETATM  935  O   HOH A 297     -27.741   5.826  24.089  1.00 28.76           O  
HETATM  936  O   HOH A 298     -31.634  14.162  12.779  1.00 41.89           O  
CONECT  407  844                                                                
CONECT  424  844                                                                
CONECT  440  844                                                                
CONECT  448  844                                                                
CONECT  471  844                                                                
CONECT  498  844                                                                
CONECT  499  844                                                                
CONECT  701  843                                                                
CONECT  715  843                                                                
CONECT  733  843                                                                
CONECT  742  843                                                                
CONECT  780  843                                                                
CONECT  781  843                                                                
CONECT  843  701  715  733  742                                                 
CONECT  843  780  781  890                                                      
CONECT  844  407  424  440  448                                                 
CONECT  844  471  498  499                                                      
CONECT  890  843                                                                
MASTER      322    0    2    6    2    0   10    6  935    1   18    9          
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.