CNRS Nantes University UFIP UFIP
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***  1pga  ***

elNémo ID: 21120708054061064

Job options:

ID        	=	 21120708054061064
JOBID     	=	 1pga
USERID    	=	 txp
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 1pga

HEADER    IMMUNOGLOBULIN BINDING PROTEIN          23-NOV-93   1PGA              
TITLE     TWO CRYSTAL STRUCTURES OF THE B1 IMMUNOGLOBULIN-BINDING DOMAIN OF     
TITLE    2 STREPTOCOCCAL PROTEIN G AND COMPARISON WITH NMR                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN G;                                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. GX7805;                       
SOURCE   3 ORGANISM_TAXID: 1325                                                 
KEYWDS    IMMUNOGLOBULIN BINDING PROTEIN                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    T.GALLAGHER,P.ALEXANDER,P.BRYAN,G.L.GILLILAND                         
REVDAT   3   29-NOV-17 1PGA    1       HELIX                                    
REVDAT   2   24-FEB-09 1PGA    1       VERSN                                    
REVDAT   1   30-APR-94 1PGA    0                                                
JRNL        AUTH   T.GALLAGHER,P.ALEXANDER,P.BRYAN,G.L.GILLILAND                
JRNL        TITL   TWO CRYSTAL STRUCTURES OF THE B1 IMMUNOGLOBULIN-BINDING      
JRNL        TITL 2 DOMAIN OF STREPTOCOCCAL PROTEIN G AND COMPARISON WITH NMR.   
JRNL        REF    BIOCHEMISTRY                  V.  33  4721 1994              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   8161530                                                      
JRNL        DOI    10.1021/BI00181A032                                          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   A.ACHARI,S.P.HALE,A.J.HOWARD,G.M.CLORE,A.M.GRONENBORN,       
REMARK   1  AUTH 2 K.D.HARDMAN,M.WHITLOW                                        
REMARK   1  TITL   1.67 ANGSTROMS X-RAY STRUCTURE OF THE B2                     
REMARK   1  TITL 2 IMMUNOGLOBULIN-BINDING DOMAIN OF STREPTOCCOCAL PROTEIN G AND 
REMARK   1  TITL 3 COMPARISON TO THE NMR STRUCTURE OF THE B1 DOMAIN             
REMARK   1  REF    BIOCHEMISTRY                  V.  31 10449 1992              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   A.M.GRONENBORN,D.R.FILPULA,N.Z.ESSIG,A.ACHARI,M.WHITLOW,     
REMARK   1  AUTH 2 P.T.WINGFIELD,G.M.CLORE                                      
REMARK   1  TITL   A NOVEL, HIGHLY STABLE FOLD OF THE IMMUNOGLOBULIN BINDING    
REMARK   1  TITL 2 DOMAIN OF STREPTOCOCCAL PROTEIN G                            
REMARK   1  REF    SCIENCE                       V. 253   657 1991              
REMARK   1  REFN                   ISSN 0036-8075                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.07 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PROLSQ                                               
REMARK   3   AUTHORS     : KONNERT,HENDRICKSON                                  
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.07                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 6.00                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 2567                           
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 + TEST SET) : 0.174                           
REMARK   3   R VALUE            (WORKING SET) : NULL                            
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                                                                      
REMARK   3  FIT/AGREEMENT OF MODEL WITH ALL DATA.                               
REMARK   3   R VALUE   (WORKING + TEST SET, NO CUTOFF) : NULL                   
REMARK   3   R VALUE          (WORKING SET, NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE                  (NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL                   
REMARK   3   FREE R VALUE TEST SET COUNT   (NO CUTOFF) : NULL                   
REMARK   3   TOTAL NUMBER OF REFLECTIONS   (NO CUTOFF) : NULL                   
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 436                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 20                                      
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  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   DISTANCE RESTRAINTS.                    RMS    SIGMA               
REMARK   3    BOND LENGTH                     (A) : 0.020 ; NULL                
REMARK   3    ANGLE DISTANCE                  (A) : 1.970 ; NULL                
REMARK   3    INTRAPLANAR 1-4 DISTANCE        (A) : NULL  ; NULL                
REMARK   3    H-BOND OR METAL COORDINATION    (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   PLANE RESTRAINT                  (A) : NULL  ; NULL                
REMARK   3   CHIRAL-CENTER RESTRAINT       (A**3) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   NON-BONDED CONTACT RESTRAINTS.                                     
REMARK   3    SINGLE TORSION                  (A) : NULL  ; NULL                
REMARK   3    MULTIPLE TORSION                (A) : NULL  ; NULL                
REMARK   3    H-BOND (X...Y)                  (A) : NULL  ; NULL                
REMARK   3    H-BOND (X-H...Y)                (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   CONFORMATIONAL TORSION ANGLE RESTRAINTS.                           
REMARK   3    SPECIFIED                 (DEGREES) : NULL  ; NULL                
REMARK   3    PLANAR                    (DEGREES) : NULL  ; NULL                
REMARK   3    STAGGERED                 (DEGREES) : NULL  ; NULL                
REMARK   3    TRANSVERSE                (DEGREES) : NULL  ; 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  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1PGA 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_1000175653.                                   
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   (%): 35.95                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       18.51950            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       25.63850            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       12.54200            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       25.63850            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       18.51950            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       12.54200            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A   8       69.54   -117.60                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1PGA A    2    56  UNP    P06654   SPG1_STRSG     228    282             
SEQRES   1 A   56  MET THR TYR LYS LEU ILE LEU ASN GLY LYS THR LEU LYS          
SEQRES   2 A   56  GLY GLU THR THR THR GLU ALA VAL ASP ALA ALA THR ALA          
SEQRES   3 A   56  GLU LYS VAL PHE LYS GLN TYR ALA ASN ASP ASN GLY VAL          
SEQRES   4 A   56  ASP GLY GLU TRP THR TYR ASP ASP ALA THR LYS THR PHE          
SEQRES   5 A   56  THR VAL THR GLU                                              
FORMUL   2  HOH   *20(H2 O)                                                     
HELIX    1   1 ALA A   23  ASP A   36  1                                  14    
SHEET    1  S1 4 LEU A  12  ALA A  20  0                                        
SHEET    2  S1 4 MET A   1  GLY A   9 -1                                        
SHEET    3  S1 4 LYS A  50  GLU A  56  1                                        
SHEET    4  S1 4 GLU A  42  ASP A  46 -1                                        
CRYST1   37.039   25.084   51.277  90.00  90.00  90.00 P 21 21 21    4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.026999  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.039866  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.019502        0.00000                         
ATOM      1  N   MET A   1      26.778  34.213  35.880  1.00 14.61           N  
ATOM      2  CA  MET A   1      26.659  32.769  36.242  1.00 16.66           C  
ATOM      3  C   MET A   1      27.468  31.927  35.268  1.00 16.16           C  
ATOM      4  O   MET A   1      27.699  32.342  34.110  1.00 15.79           O  
ATOM      5  CB  MET A   1      25.202  32.296  36.219  1.00 15.87           C  
ATOM      6  CG  MET A   1      24.345  32.901  37.319  1.00 18.67           C  
ATOM      7  SD  MET A   1      22.647  32.419  37.205  1.00 18.22           S  
ATOM      8  CE  MET A   1      22.101  32.510  39.040  1.00 18.66           C  
ATOM      9  N   THR A   2      27.942  30.785  35.765  1.00 12.62           N  
ATOM     10  CA  THR A   2      28.716  29.848  34.951  1.00 13.11           C  
ATOM     11  C   THR A   2      27.810  28.681  34.500  1.00 12.17           C  
ATOM     12  O   THR A   2      27.190  28.014  35.349  1.00 11.81           O  
ATOM     13  CB  THR A   2      29.874  29.309  35.740  1.00 11.99           C  
ATOM     14  OG1 THR A   2      30.690  30.402  36.160  1.00 14.02           O  
ATOM     15  CG2 THR A   2      30.703  28.380  34.901  1.00 12.76           C  
ATOM     16  N   TYR A   3      27.727  28.474  33.178  1.00 10.50           N  
ATOM     17  CA  TYR A   3      26.925  27.439  32.581  1.00  8.87           C  
ATOM     18  C   TYR A   3      27.786  26.384  31.926  1.00 10.84           C  
ATOM     19  O   TYR A   3      28.925  26.623  31.562  1.00  9.00           O  
ATOM     20  CB  TYR A   3      25.980  28.003  31.552  1.00  9.75           C  
ATOM     21  CG  TYR A   3      25.043  29.056  32.084  1.00  9.86           C  
ATOM     22  CD1 TYR A   3      25.494  30.368  32.275  1.00  9.28           C  
ATOM     23  CD2 TYR A   3      23.704  28.754  32.362  1.00  8.58           C  
ATOM     24  CE1 TYR A   3      24.649  31.353  32.728  1.00 10.76           C  
ATOM     25  CE2 TYR A   3      22.841  29.745  32.816  1.00 12.25           C  
ATOM     26  CZ  TYR A   3      23.334  31.057  32.992  1.00  9.45           C  
ATOM     27  OH  TYR A   3      22.507  32.070  33.389  1.00 10.01           O  
ATOM     28  N   LYS A   4      27.209  25.188  31.822  1.00  9.35           N  
ATOM     29  CA  LYS A   4      27.880  24.053  31.245  1.00 12.62           C  
ATOM     30  C   LYS A   4      27.146  23.549  30.005  1.00 10.41           C  
ATOM     31  O   LYS A   4      25.927  23.642  29.883  1.00  8.07           O  
ATOM     32  CB  LYS A   4      27.980  22.919  32.276  1.00 16.64           C  
ATOM     33  CG  LYS A   4      28.614  21.682  31.687  1.00 23.52           C  
ATOM     34  CD  LYS A   4      29.133  20.761  32.750  1.00 26.11           C  
ATOM     35  CE  LYS A   4      28.104  19.671  33.082  1.00 32.58           C  
ATOM     36  NZ  LYS A   4      28.622  18.689  34.151  1.00 33.40           N  
ATOM     37  N   LEU A   5      27.906  23.017  29.076  1.00  8.27           N  
ATOM     38  CA  LEU A   5      27.287  22.492  27.893  1.00  5.95           C  
ATOM     39  C   LEU A   5      27.787  21.089  27.755  1.00  6.29           C  
ATOM     40  O   LEU A   5      28.980  20.881  27.827  1.00  5.25           O  
ATOM     41  CB  LEU A   5      27.718  23.274  26.662  1.00  5.32           C  
ATOM     42  CG  LEU A   5      27.273  22.663  25.316  1.00  3.50           C  
ATOM     43  CD1 LEU A   5      25.786  22.592  25.165  1.00  2.85           C  
ATOM     44  CD2 LEU A   5      27.883  23.370  24.177  1.00  2.99           C  
ATOM     45  N   ILE A   6      26.872  20.127  27.677  1.00  4.84           N  
ATOM     46  CA  ILE A   6      27.234  18.718  27.430  1.00  6.82           C  
ATOM     47  C   ILE A   6      26.857  18.445  25.938  1.00  6.98           C  
ATOM     48  O   ILE A   6      25.684  18.610  25.488  1.00  5.70           O  
ATOM     49  CB  ILE A   6      26.539  17.774  28.431  1.00  7.70           C  
ATOM     50  CG1 ILE A   6      26.929  18.189  29.827  1.00  8.62           C  
ATOM     51  CG2 ILE A   6      26.965  16.283  28.223  1.00  8.79           C  
ATOM     52  CD1 ILE A   6      26.270  17.302  30.804  1.00 10.87           C  
ATOM     53  N   LEU A   7      27.883  18.141  25.160  1.00  6.28           N  
ATOM     54  CA  LEU A   7      27.753  17.891  23.727  1.00  6.59           C  
ATOM     55  C   LEU A   7      27.760  16.412  23.441  1.00  6.58           C  
ATOM     56  O   LEU A   7      28.779  15.768  23.693  1.00  6.52           O  
ATOM     57  CB  LEU A   7      28.948  18.512  22.941  1.00  6.20           C  
ATOM     58  CG  LEU A   7      29.329  19.998  23.037  1.00  7.38           C  
ATOM     59  CD1 LEU A   7      30.665  20.164  23.746  1.00  5.51           C  
ATOM     60  CD2 LEU A   7      29.401  20.599  21.670  1.00  5.66           C  
ATOM     61  N   ASN A   8      26.656  15.886  22.895  1.00  7.07           N  
ATOM     62  CA  ASN A   8      26.607  14.472  22.512  1.00  8.36           C  
ATOM     63  C   ASN A   8      26.394  14.448  21.001  1.00  6.87           C  
ATOM     64  O   ASN A   8      25.320  14.170  20.496  1.00  4.58           O  
ATOM     65  CB  ASN A   8      25.509  13.703  23.253  1.00 11.84           C  
ATOM     66  CG  ASN A   8      25.427  12.198  22.812  1.00 17.44           C  
ATOM     67  OD1 ASN A   8      26.442  11.493  22.723  1.00 17.86           O  
ATOM     68  ND2 ASN A   8      24.216  11.740  22.470  1.00 19.85           N  
ATOM     69  N   GLY A   9      27.390  14.850  20.248  1.00  6.96           N  
ATOM     70  CA  GLY A   9      27.190  14.807  18.805  1.00  6.92           C  
ATOM     71  C   GLY A   9      27.687  13.461  18.292  1.00  8.02           C  
ATOM     72  O   GLY A   9      28.202  12.631  19.096  1.00  7.55           O  
ATOM     73  N   LYS A  10      27.644  13.275  16.967  1.00  7.38           N  
ATOM     74  CA  LYS A  10      28.097  12.053  16.383  1.00  7.81           C  
ATOM     75  C   LYS A  10      29.608  12.016  16.332  1.00  8.00           C  
ATOM     76  O   LYS A  10      30.227  10.985  16.633  1.00  5.03           O  
ATOM     77  CB  LYS A  10      27.505  11.913  15.016  1.00 11.98           C  
ATOM     78  CG  LYS A  10      26.053  11.530  15.078  1.00 16.38           C  
ATOM     79  CD  LYS A  10      25.221  12.127  13.918  1.00 24.20           C  
ATOM     80  CE  LYS A  10      25.741  11.707  12.492  1.00 27.12           C  
ATOM     81  NZ  LYS A  10      24.966  12.355  11.327  1.00 27.49           N  
ATOM     82  N   THR A  11      30.199  13.192  16.095  1.00  7.50           N  
ATOM     83  CA  THR A  11      31.651  13.369  15.973  1.00  8.20           C  
ATOM     84  C   THR A  11      32.334  13.991  17.218  1.00  7.89           C  
ATOM     85  O   THR A  11      33.420  13.607  17.586  1.00  7.61           O  
ATOM     86  CB  THR A  11      31.956  14.339  14.801  1.00  9.35           C  
ATOM     87  OG1 THR A  11      31.318  13.897  13.603  1.00 10.85           O  
ATOM     88  CG2 THR A  11      33.421  14.517  14.602  1.00 12.32           C  
ATOM     89  N   LEU A  12      31.689  14.980  17.820  1.00  8.58           N  
ATOM     90  CA  LEU A  12      32.240  15.708  18.937  1.00  7.27           C  
ATOM     91  C   LEU A  12      31.473  15.439  20.241  1.00  7.67           C  
ATOM     92  O   LEU A  12      30.249  15.645  20.358  1.00  7.27           O  
ATOM     93  CB  LEU A  12      32.162  17.199  18.564  1.00  8.71           C  
ATOM     94  CG  LEU A  12      33.156  18.300  18.949  1.00 10.48           C  
ATOM     95  CD1 LEU A  12      32.341  19.601  19.228  1.00  9.21           C  
ATOM     96  CD2 LEU A  12      34.036  17.907  20.136  1.00  8.42           C  
ATOM     97  N   LYS A  13      32.202  15.087  21.265  1.00  5.43           N  
ATOM     98  CA  LYS A  13      31.559  14.806  22.513  1.00  7.07           C  
ATOM     99  C   LYS A  13      32.382  15.429  23.592  1.00  7.64           C  
ATOM    100  O   LYS A  13      33.586  15.394  23.538  1.00  6.64           O  
ATOM    101  CB  LYS A  13      31.508  13.303  22.723  1.00  8.04           C  
ATOM    102  CG  LYS A  13      30.511  12.591  21.829  1.00  9.13           C  
ATOM    103  CD  LYS A  13      30.582  11.080  22.038  1.00  9.99           C  
ATOM    104  CE  LYS A  13      29.510  10.370  21.214  1.00  9.64           C  
ATOM    105  NZ  LYS A  13      29.903  10.422  19.840  1.00  9.79           N  
ATOM    106  N   GLY A  14      31.742  16.049  24.564  1.00  8.08           N  
ATOM    107  CA  GLY A  14      32.551  16.607  25.608  1.00 10.91           C  
ATOM    108  C   GLY A  14      31.784  17.507  26.519  1.00 13.82           C  
ATOM    109  O   GLY A  14      30.540  17.459  26.526  1.00 12.43           O  
ATOM    110  N   GLU A  15      32.511  18.353  27.246  1.00 12.18           N  
ATOM    111  CA  GLU A  15      31.885  19.251  28.169  1.00 13.37           C  
ATOM    112  C   GLU A  15      32.675  20.541  28.212  1.00 13.44           C  
ATOM    113  O   GLU A  15      33.918  20.512  28.139  1.00 11.68           O  
ATOM    114  CB  GLU A  15      31.955  18.585  29.514  1.00 16.38           C  
ATOM    115  CG  GLU A  15      31.160  19.175  30.617  1.00 20.75           C  
ATOM    116  CD  GLU A  15      30.988  18.128  31.732  1.00 22.61           C  
ATOM    117  OE1 GLU A  15      30.231  17.132  31.558  1.00 24.56           O  
ATOM    118  OE2 GLU A  15      31.675  18.255  32.749  1.00 22.88           O  
ATOM    119  N   THR A  16      31.962  21.662  28.166  1.00 10.94           N  
ATOM    120  CA  THR A  16      32.590  22.952  28.314  1.00 12.35           C  
ATOM    121  C   THR A  16      31.657  23.748  29.154  1.00 11.69           C  
ATOM    122  O   THR A  16      30.560  23.313  29.424  1.00  9.43           O  
ATOM    123  CB  THR A  16      32.843  23.745  27.020  1.00 13.36           C  
ATOM    124  OG1 THR A  16      31.691  23.719  26.139  1.00 16.26           O  
ATOM    125  CG2 THR A  16      34.010  23.231  26.342  1.00 20.68           C  
ATOM    126  N   THR A  17      32.102  24.933  29.549  1.00 12.87           N  
ATOM    127  CA  THR A  17      31.337  25.872  30.369  1.00 13.13           C  
ATOM    128  C   THR A  17      31.442  27.293  29.794  1.00 15.23           C  
ATOM    129  O   THR A  17      32.280  27.575  28.937  1.00 12.64           O  
ATOM    130  CB  THR A  17      31.906  25.957  31.777  1.00 13.66           C  
ATOM    131  OG1 THR A  17      33.175  26.606  31.730  1.00 12.04           O  
ATOM    132  CG2 THR A  17      32.089  24.590  32.337  1.00 12.62           C  
ATOM    133  N   THR A  18      30.560  28.182  30.238  1.00 13.46           N  
ATOM    134  CA  THR A  18      30.648  29.569  29.782  1.00 16.10           C  
ATOM    135  C   THR A  18      30.183  30.439  30.924  1.00 15.95           C  
ATOM    136  O   THR A  18      29.659  29.918  31.883  1.00 16.00           O  
ATOM    137  CB  THR A  18      29.809  29.875  28.486  1.00 15.44           C  
ATOM    138  OG1 THR A  18      30.308  31.072  27.882  1.00 14.31           O  
ATOM    139  CG2 THR A  18      28.342  30.070  28.789  1.00 15.16           C  
ATOM    140  N   GLU A  19      30.512  31.719  30.863  1.00 14.78           N  
ATOM    141  CA  GLU A  19      30.112  32.696  31.870  1.00 18.12           C  
ATOM    142  C   GLU A  19      29.090  33.566  31.129  1.00 14.65           C  
ATOM    143  O   GLU A  19      29.308  33.925  29.998  1.00 16.84           O  
ATOM    144  CB  GLU A  19      31.332  33.552  32.303  1.00 22.39           C  
ATOM    145  CG  GLU A  19      31.413  33.990  33.814  1.00 28.69           C  
ATOM    146  CD  GLU A  19      30.348  35.085  34.267  1.00 35.12           C  
ATOM    147  OE1 GLU A  19      29.864  35.904  33.419  1.00 35.81           O  
ATOM    148  OE2 GLU A  19      30.010  35.143  35.495  1.00 33.84           O  
ATOM    149  N   ALA A  20      27.930  33.807  31.698  1.00 11.79           N  
ATOM    150  CA  ALA A  20      26.954  34.653  31.011  1.00 11.11           C  
ATOM    151  C   ALA A  20      25.998  35.271  32.023  1.00 11.25           C  
ATOM    152  O   ALA A  20      25.861  34.745  33.095  1.00 10.25           O  
ATOM    153  CB  ALA A  20      26.175  33.859  29.917  1.00 10.30           C  
ATOM    154  N   VAL A  21      25.406  36.414  31.687  1.00 11.64           N  
ATOM    155  CA  VAL A  21      24.428  37.125  32.548  1.00 13.50           C  
ATOM    156  C   VAL A  21      23.176  36.342  32.872  1.00 13.35           C  
ATOM    157  O   VAL A  21      22.648  36.441  33.968  1.00 13.80           O  
ATOM    158  CB  VAL A  21      23.894  38.488  31.924  1.00 15.00           C  
ATOM    159  CG1 VAL A  21      24.715  39.622  32.402  1.00 13.17           C  
ATOM    160  CG2 VAL A  21      23.842  38.429  30.361  1.00 13.88           C  
ATOM    161  N   ASP A  22      22.687  35.605  31.888  1.00 12.32           N  
ATOM    162  CA  ASP A  22      21.526  34.808  32.082  1.00 10.39           C  
ATOM    163  C   ASP A  22      21.599  33.656  31.128  1.00 10.50           C  
ATOM    164  O   ASP A  22      22.473  33.619  30.238  1.00  9.88           O  
ATOM    165  CB  ASP A  22      20.243  35.635  31.899  1.00 11.05           C  
ATOM    166  CG  ASP A  22      20.069  36.160  30.520  1.00 12.87           C  
ATOM    167  OD1 ASP A  22      20.821  35.774  29.607  1.00 16.26           O  
ATOM    168  OD2 ASP A  22      19.146  36.972  30.319  1.00 16.47           O  
ATOM    169  N   ALA A  23      20.639  32.740  31.269  1.00  8.81           N  
ATOM    170  CA  ALA A  23      20.561  31.551  30.430  1.00  6.96           C  
ATOM    171  C   ALA A  23      20.321  31.844  28.931  1.00  5.92           C  
ATOM    172  O   ALA A  23      20.824  31.129  28.069  1.00  8.19           O  
ATOM    173  CB  ALA A  23      19.503  30.664  30.975  1.00  6.19           C  
ATOM    174  N   ALA A  24      19.543  32.880  28.616  1.00  4.63           N  
ATOM    175  CA  ALA A  24      19.237  33.239  27.218  1.00  5.79           C  
ATOM    176  C   ALA A  24      20.490  33.638  26.483  1.00  6.14           C  
ATOM    177  O   ALA A  24      20.643  33.370  25.310  1.00  8.27           O  
ATOM    178  CB  ALA A  24      18.162  34.389  27.146  1.00  5.79           C  
ATOM    179  N   THR A  25      21.411  34.253  27.198  1.00  7.31           N  
ATOM    180  CA  THR A  25      22.642  34.663  26.595  1.00  7.61           C  
ATOM    181  C   THR A  25      23.567  33.440  26.482  1.00  8.29           C  
ATOM    182  O   THR A  25      24.190  33.275  25.431  1.00  7.36           O  
ATOM    183  CB  THR A  25      23.295  35.861  27.358  1.00  9.87           C  
ATOM    184  OG1 THR A  25      22.376  36.945  27.421  1.00 15.99           O  
ATOM    185  CG2 THR A  25      24.436  36.418  26.612  1.00  7.83           C  
ATOM    186  N   ALA A  26      23.632  32.570  27.510  1.00  6.72           N  
ATOM    187  CA  ALA A  26      24.499  31.366  27.438  1.00  9.64           C  
ATOM    188  C   ALA A  26      24.004  30.444  26.304  1.00 10.01           C  
ATOM    189  O   ALA A  26      24.795  29.892  25.550  1.00 10.49           O  
ATOM    190  CB  ALA A  26      24.554  30.606  28.803  1.00  6.87           C  
ATOM    191  N   GLU A  27      22.691  30.378  26.130  1.00 11.53           N  
ATOM    192  CA  GLU A  27      22.101  29.590  25.062  1.00 13.51           C  
ATOM    193  C   GLU A  27      22.566  30.053  23.656  1.00 13.78           C  
ATOM    194  O   GLU A  27      22.766  29.254  22.743  1.00 12.47           O  
ATOM    195  CB  GLU A  27      20.587  29.689  25.128  1.00 15.82           C  
ATOM    196  CG  GLU A  27      19.983  28.615  24.307  1.00 21.36           C  
ATOM    197  CD  GLU A  27      18.724  29.052  23.663  1.00 23.07           C  
ATOM    198  OE1 GLU A  27      17.994  29.851  24.306  1.00 25.94           O  
ATOM    199  OE2 GLU A  27      18.462  28.615  22.521  1.00 23.21           O  
ATOM    200  N   LYS A  28      22.706  31.360  23.469  1.00 15.31           N  
ATOM    201  CA  LYS A  28      23.180  31.932  22.177  1.00 13.12           C  
ATOM    202  C   LYS A  28      24.673  31.606  21.915  1.00  9.68           C  
ATOM    203  O   LYS A  28      25.086  31.328  20.783  1.00  8.78           O  
ATOM    204  CB  LYS A  28      23.016  33.469  22.176  1.00 14.23           C  
ATOM    205  CG  LYS A  28      21.731  34.012  21.531  1.00 17.45           C  
ATOM    206  CD  LYS A  28      20.541  34.029  22.467  1.00 18.36           C  
ATOM    207  CE  LYS A  28      19.944  32.644  22.755  1.00 18.63           C  
ATOM    208  NZ  LYS A  28      18.765  32.791  23.728  1.00 17.32           N  
ATOM    209  N   VAL A  29      25.471  31.760  22.968  1.00  8.13           N  
ATOM    210  CA  VAL A  29      26.885  31.515  22.924  1.00  7.52           C  
ATOM    211  C   VAL A  29      27.147  30.039  22.603  1.00  6.40           C  
ATOM    212  O   VAL A  29      27.990  29.702  21.779  1.00  6.66           O  
ATOM    213  CB  VAL A  29      27.486  31.891  24.303  1.00  7.57           C  
ATOM    214  CG1 VAL A  29      28.899  31.370  24.409  1.00  7.89           C  
ATOM    215  CG2 VAL A  29      27.458  33.433  24.518  1.00  6.16           C  
ATOM    216  N   PHE A  30      26.469  29.154  23.332  1.00  7.49           N  
ATOM    217  CA  PHE A  30      26.606  27.707  23.121  1.00  7.01           C  
ATOM    218  C   PHE A  30      26.136  27.212  21.756  1.00  7.21           C  
ATOM    219  O   PHE A  30      26.792  26.404  21.128  1.00  6.86           O  
ATOM    220  CB  PHE A  30      25.893  26.960  24.228  1.00  7.00           C  
ATOM    221  CG  PHE A  30      26.665  26.936  25.514  1.00  6.05           C  
ATOM    222  CD1 PHE A  30      28.066  26.954  25.508  1.00  4.97           C  
ATOM    223  CD2 PHE A  30      26.001  26.842  26.735  1.00  4.70           C  
ATOM    224  CE1 PHE A  30      28.786  26.873  26.704  1.00  3.77           C  
ATOM    225  CE2 PHE A  30      26.724  26.763  27.921  1.00  4.13           C  
ATOM    226  CZ  PHE A  30      28.118  26.780  27.893  1.00  2.96           C  
ATOM    227  N   LYS A  31      25.007  27.737  21.289  1.00  9.22           N  
ATOM    228  CA  LYS A  31      24.465  27.362  20.003  1.00  9.74           C  
ATOM    229  C   LYS A  31      25.468  27.769  18.973  1.00 10.79           C  
ATOM    230  O   LYS A  31      25.726  27.029  18.067  1.00 11.32           O  
ATOM    231  CB  LYS A  31      23.164  28.080  19.739  1.00 10.71           C  
ATOM    232  CG  LYS A  31      21.959  27.448  20.394  1.00 15.00           C  
ATOM    233  CD  LYS A  31      21.142  26.655  19.377  1.00 18.28           C  
ATOM    234  CE  LYS A  31      19.630  26.666  19.692  1.00 20.79           C  
ATOM    235  NZ  LYS A  31      19.282  26.112  21.023  1.00 19.71           N  
ATOM    236  N   GLN A  32      26.018  28.963  19.088  1.00  9.07           N  
ATOM    237  CA  GLN A  32      27.009  29.365  18.127  1.00 10.35           C  
ATOM    238  C   GLN A  32      28.242  28.433  18.223  1.00  9.02           C  
ATOM    239  O   GLN A  32      28.852  28.088  17.218  1.00  8.60           O  
ATOM    240  CB  GLN A  32      27.401  30.823  18.374  1.00 11.61           C  
ATOM    241  CG  GLN A  32      28.527  31.312  17.476  1.00 11.88           C  
ATOM    242  CD  GLN A  32      28.791  32.813  17.645  1.00 13.83           C  
ATOM    243  OE1 GLN A  32      28.586  33.364  18.726  1.00 15.61           O  
ATOM    244  NE2 GLN A  32      29.172  33.478  16.571  1.00 12.31           N  
ATOM    245  N   TYR A  33      28.656  28.118  19.451  1.00  8.39           N  
ATOM    246  CA  TYR A  33      29.773  27.206  19.679  1.00  6.40           C  
ATOM    247  C   TYR A  33      29.509  25.862  18.941  1.00  5.87           C  
ATOM    248  O   TYR A  33      30.320  25.372  18.149  1.00  4.80           O  
ATOM    249  CB  TYR A  33      29.946  27.000  21.178  1.00  6.67           C  
ATOM    250  CG  TYR A  33      31.015  25.993  21.502  1.00  6.95           C  
ATOM    251  CD1 TYR A  33      32.355  26.338  21.387  1.00  7.21           C  
ATOM    252  CD2 TYR A  33      30.689  24.686  21.899  1.00  6.38           C  
ATOM    253  CE1 TYR A  33      33.374  25.417  21.669  1.00  9.67           C  
ATOM    254  CE2 TYR A  33      31.674  23.754  22.177  1.00  6.66           C  
ATOM    255  CZ  TYR A  33      33.027  24.125  22.072  1.00  8.46           C  
ATOM    256  OH  TYR A  33      34.039  23.263  22.408  1.00  9.40           O  
ATOM    257  N   ALA A  34      28.338  25.291  19.178  1.00  7.50           N  
ATOM    258  CA  ALA A  34      27.920  24.046  18.545  1.00  8.91           C  
ATOM    259  C   ALA A  34      27.949  24.186  17.057  1.00 10.19           C  
ATOM    260  O   ALA A  34      28.450  23.338  16.372  1.00  9.37           O  
ATOM    261  CB  ALA A  34      26.496  23.710  18.955  1.00  7.87           C  
ATOM    262  N   ASN A  35      27.384  25.279  16.574  1.00 11.90           N  
ATOM    263  CA  ASN A  35      27.274  25.513  15.161  1.00 14.15           C  
ATOM    264  C   ASN A  35      28.633  25.557  14.477  1.00 13.33           C  
ATOM    265  O   ASN A  35      28.846  24.927  13.425  1.00 10.58           O  
ATOM    266  CB  ASN A  35      26.487  26.810  14.914  1.00 20.29           C  
ATOM    267  CG  ASN A  35      24.932  26.584  14.787  1.00 23.22           C  
ATOM    268  OD1 ASN A  35      24.309  27.068  13.800  1.00 26.74           O  
ATOM    269  ND2 ASN A  35      24.299  25.919  15.788  1.00 21.89           N  
ATOM    270  N   ASP A  36      29.550  26.286  15.097  1.00 10.96           N  
ATOM    271  CA  ASP A  36      30.915  26.410  14.554  1.00 14.21           C  
ATOM    272  C   ASP A  36      31.675  25.089  14.557  1.00  9.94           C  
ATOM    273  O   ASP A  36      32.637  24.933  13.842  1.00 11.88           O  
ATOM    274  CB  ASP A  36      31.737  27.446  15.334  1.00 13.30           C  
ATOM    275  CG  ASP A  36      31.270  28.892  15.089  1.00 19.45           C  
ATOM    276  OD1 ASP A  36      30.426  29.168  14.164  1.00 17.91           O  
ATOM    277  OD2 ASP A  36      31.807  29.761  15.834  1.00 18.68           O  
ATOM    278  N   ASN A  37      31.237  24.154  15.379  1.00 10.35           N  
ATOM    279  CA  ASN A  37      31.910  22.848  15.442  1.00 10.08           C  
ATOM    280  C   ASN A  37      31.204  21.703  14.705  1.00  8.66           C  
ATOM    281  O   ASN A  37      31.499  20.533  14.960  1.00 10.48           O  
ATOM    282  CB  ASN A  37      32.217  22.467  16.889  1.00  9.61           C  
ATOM    283  CG  ASN A  37      33.232  23.388  17.496  1.00 10.43           C  
ATOM    284  OD1 ASN A  37      34.434  23.277  17.242  1.00 10.40           O  
ATOM    285  ND2 ASN A  37      32.760  24.275  18.360  1.00 10.05           N  
ATOM    286  N   GLY A  38      30.255  22.076  13.847  1.00  7.27           N  
ATOM    287  CA  GLY A  38      29.514  21.139  13.029  1.00  9.93           C  
ATOM    288  C   GLY A  38      28.423  20.349  13.682  1.00  9.26           C  
ATOM    289  O   GLY A  38      27.981  19.401  13.076  1.00 10.47           O  
ATOM    290  N   VAL A  39      28.018  20.735  14.895  1.00  9.93           N  
ATOM    291  CA  VAL A  39      26.982  20.057  15.673  1.00 11.05           C  
ATOM    292  C   VAL A  39      25.623  20.694  15.351  1.00 13.05           C  
ATOM    293  O   VAL A  39      25.519  21.922  15.147  1.00 13.46           O  
ATOM    294  CB  VAL A  39      27.256  20.156  17.179  1.00 11.99           C  
ATOM    295  CG1 VAL A  39      26.190  19.386  17.992  1.00 11.01           C  
ATOM    296  CG2 VAL A  39      28.618  19.623  17.474  1.00 12.09           C  
ATOM    297  N   ASP A  40      24.627  19.823  15.237  1.00 12.80           N  
ATOM    298  CA  ASP A  40      23.273  20.165  14.911  1.00 16.78           C  
ATOM    299  C   ASP A  40      22.364  19.106  15.560  1.00 16.32           C  
ATOM    300  O   ASP A  40      22.057  18.080  14.952  1.00 17.59           O  
ATOM    301  CB  ASP A  40      23.133  20.098  13.390  1.00 19.31           C  
ATOM    302  CG  ASP A  40      21.922  20.848  12.870  1.00 21.54           C  
ATOM    303  OD1 ASP A  40      21.056  21.312  13.659  1.00 21.98           O  
ATOM    304  OD2 ASP A  40      21.855  20.980  11.621  1.00 27.00           O  
ATOM    305  N   GLY A  41      21.933  19.353  16.786  1.00 15.38           N  
ATOM    306  CA  GLY A  41      21.070  18.388  17.442  1.00 14.55           C  
ATOM    307  C   GLY A  41      19.901  18.972  18.209  1.00 13.77           C  
ATOM    308  O   GLY A  41      19.433  20.086  17.910  1.00 14.74           O  
ATOM    309  N   GLU A  42      19.370  18.175  19.131  1.00 14.03           N  
ATOM    310  CA  GLU A  42      18.281  18.573  20.025  1.00 15.15           C  
ATOM    311  C   GLU A  42      18.921  19.078  21.289  1.00 13.42           C  
ATOM    312  O   GLU A  42      19.965  18.538  21.727  1.00  9.64           O  
ATOM    313  CB  GLU A  42      17.322  17.413  20.322  1.00 20.68           C  
ATOM    314  CG  GLU A  42      16.345  17.122  19.126  1.00 26.20           C  
ATOM    315  CD  GLU A  42      15.372  15.922  19.367  1.00 32.15           C  
ATOM    316  OE1 GLU A  42      15.872  14.870  19.871  1.00 32.35           O  
ATOM    317  OE2 GLU A  42      14.131  16.030  19.037  1.00 31.50           O  
ATOM    318  N   TRP A  43      18.309  20.141  21.827  1.00 10.40           N  
ATOM    319  CA  TRP A  43      18.773  20.830  23.024  1.00  8.43           C  
ATOM    320  C   TRP A  43      17.801  20.725  24.189  1.00  9.38           C  
ATOM    321  O   TRP A  43      16.599  20.589  24.004  1.00 10.29           O  
ATOM    322  CB  TRP A  43      18.916  22.349  22.770  1.00  8.33           C  
ATOM    323  CG  TRP A  43      19.989  22.746  21.842  1.00  7.08           C  
ATOM    324  CD1 TRP A  43      19.989  22.613  20.492  1.00  8.75           C  
ATOM    325  CD2 TRP A  43      21.244  23.292  22.191  1.00  7.08           C  
ATOM    326  NE1 TRP A  43      21.189  23.036  19.961  1.00  5.66           N  
ATOM    327  CE2 TRP A  43      21.986  23.454  20.988  1.00  7.08           C  
ATOM    328  CE3 TRP A  43      21.832  23.656  23.393  1.00  7.63           C  
ATOM    329  CZ2 TRP A  43      23.285  23.970  20.963  1.00  7.00           C  
ATOM    330  CZ3 TRP A  43      23.098  24.165  23.376  1.00  7.78           C  
ATOM    331  CH2 TRP A  43      23.826  24.318  22.161  1.00  7.62           C  
ATOM    332  N   THR A  44      18.341  20.860  25.397  1.00  6.73           N  
ATOM    333  CA  THR A  44      17.568  20.872  26.600  1.00  7.41           C  
ATOM    334  C   THR A  44      18.370  21.803  27.458  1.00  7.32           C  
ATOM    335  O   THR A  44      19.564  22.051  27.162  1.00  8.30           O  
ATOM    336  CB  THR A  44      17.477  19.475  27.325  1.00  6.34           C  
ATOM    337  OG1 THR A  44      18.768  19.116  27.844  1.00  8.74           O  
ATOM    338  CG2 THR A  44      16.965  18.331  26.382  1.00  4.42           C  
ATOM    339  N   TYR A  45      17.707  22.422  28.434  1.00  6.33           N  
ATOM    340  CA  TYR A  45      18.383  23.292  29.382  1.00  6.58           C  
ATOM    341  C   TYR A  45      17.795  22.951  30.738  1.00  6.24           C  
ATOM    342  O   TYR A  45      16.594  22.894  30.859  1.00  8.16           O  
ATOM    343  CB  TYR A  45      18.153  24.791  29.123  1.00  6.32           C  
ATOM    344  CG  TYR A  45      18.630  25.646  30.300  1.00  7.32           C  
ATOM    345  CD1 TYR A  45      19.993  25.696  30.649  1.00  6.00           C  
ATOM    346  CD2 TYR A  45      17.716  26.386  31.095  1.00  7.75           C  
ATOM    347  CE1 TYR A  45      20.434  26.427  31.704  1.00  6.17           C  
ATOM    348  CE2 TYR A  45      18.165  27.134  32.159  1.00  8.06           C  
ATOM    349  CZ  TYR A  45      19.531  27.144  32.461  1.00  6.37           C  
ATOM    350  OH  TYR A  45      20.003  27.846  33.547  1.00  7.74           O  
ATOM    351  N   ASP A  46      18.637  22.717  31.736  1.00  6.35           N  
ATOM    352  CA  ASP A  46      18.189  22.395  33.084  1.00  6.11           C  
ATOM    353  C   ASP A  46      18.762  23.422  34.046  1.00  7.28           C  
ATOM    354  O   ASP A  46      19.956  23.402  34.423  1.00  4.29           O  
ATOM    355  CB  ASP A  46      18.608  20.963  33.468  1.00  7.79           C  
ATOM    356  CG  ASP A  46      18.147  20.542  34.888  1.00  7.44           C  
ATOM    357  OD1 ASP A  46      17.386  21.232  35.591  1.00  5.00           O  
ATOM    358  OD2 ASP A  46      18.551  19.448  35.270  1.00  9.02           O  
ATOM    359  N   ASP A  47      17.863  24.323  34.417  1.00  6.68           N  
ATOM    360  CA  ASP A  47      18.172  25.408  35.266  1.00  8.65           C  
ATOM    361  C   ASP A  47      18.635  24.975  36.607  1.00 10.53           C  
ATOM    362  O   ASP A  47      19.331  25.709  37.256  1.00 10.10           O  
ATOM    363  CB  ASP A  47      16.952  26.264  35.444  1.00  9.98           C  
ATOM    364  CG  ASP A  47      17.294  27.588  36.038  1.00 13.07           C  
ATOM    365  OD1 ASP A  47      18.182  28.307  35.517  1.00 11.85           O  
ATOM    366  OD2 ASP A  47      16.710  27.874  37.084  1.00 14.99           O  
ATOM    367  N   ALA A  48      18.101  23.853  37.083  1.00 10.72           N  
ATOM    368  CA  ALA A  48      18.486  23.283  38.379  1.00  9.53           C  
ATOM    369  C   ALA A  48      19.959  22.961  38.447  1.00  8.82           C  
ATOM    370  O   ALA A  48      20.523  22.904  39.507  1.00 10.62           O  
ATOM    371  CB  ALA A  48      17.677  22.025  38.647  1.00 11.11           C  
ATOM    372  N   THR A  49      20.603  22.757  37.316  1.00  9.51           N  
ATOM    373  CA  THR A  49      22.029  22.470  37.333  1.00  8.40           C  
ATOM    374  C   THR A  49      22.748  23.435  36.395  1.00  7.98           C  
ATOM    375  O   THR A  49      23.941  23.324  36.212  1.00  9.23           O  
ATOM    376  CB  THR A  49      22.345  20.975  36.913  1.00  8.34           C  
ATOM    377  OG1 THR A  49      22.050  20.810  35.525  1.00  6.78           O  
ATOM    378  CG2 THR A  49      21.457  19.962  37.702  1.00  6.32           C  
ATOM    379  N   LYS A  50      22.009  24.371  35.800  1.00  7.05           N  
ATOM    380  CA  LYS A  50      22.552  25.343  34.873  1.00  8.49           C  
ATOM    381  C   LYS A  50      23.219  24.646  33.689  1.00  8.72           C  
ATOM    382  O   LYS A  50      24.189  25.166  33.141  1.00  8.51           O  
ATOM    383  CB  LYS A  50      23.573  26.291  35.570  1.00 11.17           C  
ATOM    384  CG  LYS A  50      23.028  27.095  36.711  1.00 10.11           C  
ATOM    385  CD  LYS A  50      21.867  27.977  36.252  1.00 13.37           C  
ATOM    386  CE  LYS A  50      21.143  28.680  37.483  1.00 12.12           C  
ATOM    387  NZ  LYS A  50      20.184  29.770  37.143  1.00 15.16           N  
ATOM    388  N   THR A  51      22.654  23.514  33.255  1.00  7.92           N  
ATOM    389  CA  THR A  51      23.221  22.742  32.156  1.00  7.95           C  
ATOM    390  C   THR A  51      22.435  22.672  30.858  1.00  5.18           C  
ATOM    391  O   THR A  51      21.235  22.535  30.854  1.00  3.35           O  
ATOM    392  CB  THR A  51      23.549  21.266  32.600  1.00  8.94           C  
ATOM    393  OG1 THR A  51      24.412  21.311  33.730  1.00 10.06           O  
ATOM    394  CG2 THR A  51      24.324  20.498  31.477  1.00 11.18           C  
ATOM    395  N   PHE A  52      23.152  22.808  29.756  1.00  3.88           N  
ATOM    396  CA  PHE A  52      22.568  22.724  28.431  1.00  5.35           C  
ATOM    397  C   PHE A  52      23.139  21.448  27.853  1.00  5.94           C  
ATOM    398  O   PHE A  52      24.298  21.110  28.112  1.00  7.60           O  
ATOM    399  CB  PHE A  52      23.077  23.828  27.506  1.00  4.56           C  
ATOM    400  CG  PHE A  52      22.484  25.155  27.766  1.00  5.80           C  
ATOM    401  CD1 PHE A  52      22.962  25.955  28.824  1.00  6.35           C  
ATOM    402  CD2 PHE A  52      21.488  25.630  26.943  1.00  6.87           C  
ATOM    403  CE1 PHE A  52      22.460  27.242  29.066  1.00  6.65           C  
ATOM    404  CE2 PHE A  52      20.946  26.900  27.152  1.00  7.62           C  
ATOM    405  CZ  PHE A  52      21.438  27.729  28.226  1.00  7.28           C  
ATOM    406  N   THR A  53      22.359  20.748  27.052  1.00  5.79           N  
ATOM    407  CA  THR A  53      22.885  19.561  26.411  1.00  5.92           C  
ATOM    408  C   THR A  53      22.419  19.621  24.955  1.00  5.65           C  
ATOM    409  O   THR A  53      21.309  20.087  24.688  1.00  6.81           O  
ATOM    410  CB  THR A  53      22.400  18.226  27.067  1.00  5.16           C  
ATOM    411  OG1 THR A  53      21.054  17.997  26.672  1.00  9.40           O  
ATOM    412  CG2 THR A  53      22.407  18.291  28.569  1.00  5.06           C  
ATOM    413  N   VAL A  54      23.285  19.248  24.008  1.00  5.98           N  
ATOM    414  CA  VAL A  54      22.856  19.172  22.598  1.00  5.44           C  
ATOM    415  C   VAL A  54      23.112  17.708  22.184  1.00  4.77           C  
ATOM    416  O   VAL A  54      24.161  17.151  22.491  1.00  3.99           O  
ATOM    417  CB  VAL A  54      23.576  20.167  21.671  1.00  3.09           C  
ATOM    418  CG1 VAL A  54      25.091  20.092  21.843  1.00  3.65           C  
ATOM    419  CG2 VAL A  54      23.136  19.922  20.206  1.00  5.10           C  
ATOM    420  N   THR A  55      22.210  17.134  21.421  1.00  5.48           N  
ATOM    421  CA  THR A  55      22.364  15.731  21.085  1.00  6.69           C  
ATOM    422  C   THR A  55      22.039  15.472  19.632  1.00  8.52           C  
ATOM    423  O   THR A  55      20.995  15.860  19.189  1.00 12.30           O  
ATOM    424  CB  THR A  55      21.406  14.955  21.979  1.00  5.30           C  
ATOM    425  OG1 THR A  55      21.786  15.194  23.326  1.00  4.67           O  
ATOM    426  CG2 THR A  55      21.441  13.470  21.755  1.00  6.00           C  
ATOM    427  N   GLU A  56      22.905  14.843  18.864  1.00  8.91           N  
ATOM    428  CA  GLU A  56      22.553  14.567  17.468  1.00 13.22           C  
ATOM    429  C   GLU A  56      22.022  13.143  17.330  1.00 13.01           C  
ATOM    430  O   GLU A  56      22.353  12.301  18.190  1.00 14.55           O  
ATOM    431  CB  GLU A  56      23.736  14.723  16.538  1.00 13.01           C  
ATOM    432  CG  GLU A  56      24.277  16.065  16.470  1.00 14.87           C  
ATOM    433  CD  GLU A  56      25.430  16.161  15.494  1.00 15.68           C  
ATOM    434  OE1 GLU A  56      26.403  15.371  15.576  1.00 17.54           O  
ATOM    435  OE2 GLU A  56      25.381  17.081  14.664  1.00 18.60           O  
ATOM    436  OXT GLU A  56      21.296  12.892  16.369  1.00 15.04           O  
TER     437      GLU A  56                                                      
HETATM  438  O   HOH A  57      20.045  17.338  24.112  1.00  3.04           O  
HETATM  439  O   HOH A  58      29.284  15.933  16.005  1.00  3.90           O  
HETATM  440  O   HOH A  59      30.968  17.869  15.018  0.94 11.86           O  
HETATM  441  O   HOH A  60      36.384  21.652  27.812  0.96 15.46           O  
HETATM  442  O   HOH A  61      17.058  34.117  30.636  0.91 16.69           O  
HETATM  443  O   HOH A  62      27.844  16.414  13.404  1.00 23.36           O  
HETATM  444  O   HOH A  63      18.404  38.643  27.967  1.00 23.63           O  
HETATM  445  O   HOH A  64      19.968  31.460  34.797  1.00 23.75           O  
HETATM  446  O   HOH A  65      18.201  18.566  37.695  0.95 22.19           O  
HETATM  447  O   HOH A  66      28.632  36.880  26.524  1.00 24.51           O  
HETATM  448  O   HOH A  67      24.320  18.322  34.892  0.95 23.33           O  
HETATM  449  O   HOH A  68      34.515  20.297  15.278  0.95 24.44           O  
HETATM  450  O   HOH A  69      25.264  17.638  11.962  1.00 26.96           O  
HETATM  451  O   HOH A  70      27.030  30.620  14.393  1.00 30.28           O  
HETATM  452  O   HOH A  71      34.649  12.834  25.632  0.98 31.24           O  
HETATM  453  O   HOH A  72      18.195  33.437  33.740  0.88 30.66           O  
HETATM  454  O   HOH A  73      15.996  28.545  27.866  1.00 38.23           O  
HETATM  455  O   HOH A  74      22.964  13.047  25.143  0.94 34.64           O  
HETATM  456  O   HOH A  75      36.309  21.652  20.246  1.00 43.01           O  
HETATM  457  O   HOH A  76      15.334  21.462  20.777  0.91 37.63           O  
MASTER      227    0    0    1    4    0    0    6  456    1    0    5          
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.