HEADER    PROTEIN BINDING                         15-JAN-05   1YJP              
TITLE     STRUCTURE OF GNNQQNY FROM YEAST PRION SUP35                           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EUKARYOTIC PEPTIDE CHAIN RELEASE FACTOR GTP-               
COMPND   3 BINDING SUBUNIT;                                                     
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: PRION DETERMINING DOMAIN OF SUP35;                         
COMPND   6 SYNONYM: ERF2, TRANSLATION RELEASE FACTOR 3, ERF3, ERF-3,            
COMPND   7 OMNIPOTENT SUPPRESSOR PROTEIN 2, G1 TO S PHASE TRANSITION            
COMPND   8 PROTEIN 1;                                                           
COMPND   9 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS FROM THE PRION DETERMINING           
SOURCE   4 DOMAIN OF SACCHAROMYCES CEREVISIAE SUP35                             
KEYWDS    BETA SHEET, STERIC ZIPPER, GLUTAMINE ZIPPER, ASPARAGINE               
KEYWDS   2 ZIPPER, PROTEIN BINDING                                              
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.NELSON,M.R.SAWAYA,M.BALBIRNIE,A.O.MADSEN,C.RIEKEL,                  
AUTHOR   2 R.GROTHE,D.EISENBERG                                                 
REVDAT   2   24-FEB-09 1YJP    1       VERSN                                    
REVDAT   1   14-JUN-05 1YJP    0                                                
JRNL        AUTH   R.NELSON,M.R.SAWAYA,M.BALBIRNIE,A.O.MADSEN,                  
JRNL        AUTH 2 C.RIEKEL,R.GROTHE,D.EISENBERG                                
JRNL        TITL   STRUCTURE OF THE CROSS-BETA SPINE OF AMYLOID-LIKE            
JRNL        TITL 2 FIBRILS.                                                     
JRNL        REF    NATURE                        V. 435   773 2005              
JRNL        REFN                   ISSN 0028-0836                               
JRNL        PMID   15944695                                                     
JRNL        DOI    10.1038/NATURE03680                                          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   G.N.MURSHUDOV,A.A.VAGIN,E.J.DODSON                           
REMARK   1  TITL   REFINEMENT OF MACROMOLECULAR STRUCTURES BY THE               
REMARK   1  TITL 2 MAXIMUM-LIKELIHOOD METHOD                                    
REMARK   1  REF    ACTA CRYSTALLOGR.,SECT.D      V.  53   240 1997              
REMARK   1  REFN                   ISSN 0907-4449                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5                                             
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ENGH & HUBER                                  
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 22.44                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : 474                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.181                           
REMARK   3   R VALUE            (WORKING SET) : 0.181                           
REMARK   3   FREE R VALUE                     : 0.190                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL                            
REMARK   3   FREE R VALUE TEST SET COUNT      : 20                              
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   REFLECTION IN BIN     (WORKING SET) : NULL                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : NULL                         
REMARK   3   BIN FREE R VALUE SET COUNT          : NULL                         
REMARK   3   BIN FREE R VALUE                    : NULL                         
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 59                                      
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 7                                       
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 45.60                          
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 OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): NULL          
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): NULL          
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL          
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : NULL                          
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : NULL                          
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  NULL ; 0.014 ;  NULL       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  NULL ; 1.228 ;  NULL       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):  NULL ;  NULL ;  NULL       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : NULL                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : NULL                                          
REMARK   3   ION PROBE RADIUS   : NULL                                          
REMARK   3   SHRINKAGE RADIUS   : NULL                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1YJP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB031590.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 12-JUN-04                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7                                  
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID13                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.975                              
REMARK 200  MONOCHROMATOR                  : CHANNEL-CUT SI-111                 
REMARK 200                                   MONOCHROMATOR                      
REMARK 200  OPTICS                         : ELLIPSOIDAL MIRROR                 
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 509                                
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 80.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 89.5                               
REMARK 200  DATA REDUNDANCY                : 2.000                              
REMARK 200  R MERGE                    (I) : 0.20400                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 3.7500                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.94                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 84.2                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.49100                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.500                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS            
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 14.03                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.43                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: WATER, PH 7, VAPOR DIFFUSION,            
REMARK 280  HANGING DROP, TEMPERATURE 298K                                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        2.43300            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             
REMARK 300 WHICH CONSISTS OF 1 CHAIN(S).  THE SECOND BETA STRAND OF             
REMARK 300 THE BETA SANDWICH IS GENERATED AS DESCRIBED IN REMARK 350.           
REMARK 300 BETA SHEETS ARE GENERATED FROM UNIT CELL TRANSLATIONS                
REMARK 300 ALONG THE UNIT CELL B DIMENSION: X,Y+1,Z.                            
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        2.43300            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1YJO   RELATED DB: PDB                                   
DBREF  1YJP A    1     7  UNP    P05453   ERF2_YEAST       7     13             
SEQRES   1 A    7  GLY ASN ASN GLN GLN ASN TYR                                  
FORMUL   2  HOH   *7(H2 O)                                                      
CRYST1   21.937    4.866   23.477  90.00 107.08  90.00 P 1 21 1      2          
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      0.045585  0.000000  0.014006        0.00000                         
SCALE2      0.000000  0.205508  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.044560        0.00000                         
ATOM      1  N   GLY A   1      -9.009   4.612   6.102  1.00 16.77           N  
ATOM      2  CA  GLY A   1      -9.052   4.207   4.651  1.00 16.57           C  
ATOM      3  C   GLY A   1      -8.015   3.140   4.419  1.00 16.16           C  
ATOM      4  O   GLY A   1      -7.523   2.521   5.381  1.00 16.78           O  
ATOM      5  N   ASN A   2      -7.656   2.923   3.155  1.00 15.02           N  
ATOM      6  CA  ASN A   2      -6.522   2.038   2.831  1.00 14.10           C  
ATOM      7  C   ASN A   2      -5.241   2.537   3.427  1.00 13.13           C  
ATOM      8  O   ASN A   2      -4.978   3.742   3.426  1.00 11.91           O  
ATOM      9  CB  ASN A   2      -6.346   1.881   1.341  1.00 15.38           C  
ATOM     10  CG  ASN A   2      -7.584   1.342   0.692  1.00 14.08           C  
ATOM     11  OD1 ASN A   2      -8.025   0.227   1.016  1.00 17.46           O  
ATOM     12  ND2 ASN A   2      -8.204   2.155  -0.169  1.00 11.72           N  
ATOM     13  N   ASN A   3      -4.438   1.590   3.905  1.00 12.26           N  
ATOM     14  CA  ASN A   3      -3.193   1.904   4.589  1.00 11.74           C  
ATOM     15  C   ASN A   3      -1.955   1.332   3.895  1.00 11.10           C  
ATOM     16  O   ASN A   3      -1.872   0.119   3.648  1.00 10.42           O  
ATOM     17  CB  ASN A   3      -3.259   1.378   6.042  1.00 12.15           C  
ATOM     18  CG  ASN A   3      -2.006   1.739   6.861  1.00 12.82           C  
ATOM     19  OD1 ASN A   3      -1.702   2.925   7.072  1.00 15.05           O  
ATOM     20  ND2 ASN A   3      -1.271   0.715   7.306  1.00 13.48           N  
ATOM     21  N   GLN A   4      -1.005   2.228   3.598  1.00 10.29           N  
ATOM     22  CA  GLN A   4       0.384   1.888   3.199  1.00 10.53           C  
ATOM     23  C   GLN A   4       1.435   2.606   4.088  1.00 10.24           C  
ATOM     24  O   GLN A   4       1.547   3.843   4.115  1.00  8.86           O  
ATOM     25  CB  GLN A   4       0.656   2.148   1.711  1.00  9.80           C  
ATOM     26  CG  GLN A   4       1.944   1.458   1.213  1.00 10.25           C  
ATOM     27  CD  GLN A   4       2.504   2.044  -0.089  1.00 12.43           C  
ATOM     28  OE1 GLN A   4       2.744   3.268  -0.190  1.00 14.62           O  
ATOM     29  NE2 GLN A   4       2.750   1.161  -1.091  1.00  9.05           N  
ATOM     30  N   GLN A   5       2.154   1.821   4.871  1.00 10.38           N  
ATOM     31  CA  GLN A   5       3.270   2.361   5.640  1.00 11.39           C  
ATOM     32  C   GLN A   5       4.594   1.768   5.172  1.00 11.52           C  
ATOM     33  O   GLN A   5       4.768   0.546   5.054  1.00 12.05           O  
ATOM     34  CB  GLN A   5       3.056   2.183   7.147  1.00 11.96           C  
ATOM     35  CG  GLN A   5       1.829   2.950   7.647  1.00 10.81           C  
ATOM     36  CD  GLN A   5       1.344   2.414   8.954  1.00 13.10           C  
ATOM     37  OE1 GLN A   5       0.774   1.325   9.002  1.00 10.65           O  
ATOM     38  NE2 GLN A   5       1.549   3.187  10.039  1.00 12.30           N  
ATOM     39  N   ASN A   6       5.514   2.664   4.856  1.00 11.99           N  
ATOM     40  CA  ASN A   6       6.831   2.310   4.318  1.00 12.30           C  
ATOM     41  C   ASN A   6       7.854   2.761   5.324  1.00 13.40           C  
ATOM     42  O   ASN A   6       8.219   3.943   5.374  1.00 13.92           O  
ATOM     43  CB  ASN A   6       7.065   3.016   2.993  1.00 12.13           C  
ATOM     44  CG  ASN A   6       5.961   2.735   2.003  1.00 12.77           C  
ATOM     45  OD1 ASN A   6       5.798   1.604   1.551  1.00 14.27           O  
ATOM     46  ND2 ASN A   6       5.195   3.747   1.679  1.00 10.07           N  
ATOM     47  N   TYR A   7       8.292   1.817   6.147  1.00 14.70           N  
ATOM     48  CA  TYR A   7       9.159   2.144   7.299  1.00 15.18           C  
ATOM     49  C   TYR A   7      10.603   2.331   6.885  1.00 15.91           C  
ATOM     50  O   TYR A   7      11.041   1.811   5.855  1.00 15.76           O  
ATOM     51  CB  TYR A   7       9.061   1.065   8.369  1.00 15.35           C  
ATOM     52  CG  TYR A   7       7.665   0.929   8.902  1.00 14.45           C  
ATOM     53  CD1 TYR A   7       6.771   0.021   8.327  1.00 15.68           C  
ATOM     54  CD2 TYR A   7       7.210   1.756   9.920  1.00 14.80           C  
ATOM     55  CE1 TYR A   7       5.480  -0.094   8.796  1.00 13.46           C  
ATOM     56  CE2 TYR A   7       5.904   1.649  10.416  1.00 14.33           C  
ATOM     57  CZ  TYR A   7       5.047   0.729   9.831  1.00 15.09           C  
ATOM     58  OH  TYR A   7       3.766   0.589  10.291  1.00 14.39           O  
ATOM     59  OXT TYR A   7      11.358   2.999   7.612  1.00 17.49           O  
TER      60      TYR A   7                                                      
HETATM   61  O   HOH A   8      -6.471   5.227   7.124  1.00 22.62           O  
HETATM   62  O   HOH A   9      10.431   1.858   3.216  1.00 19.71           O  
HETATM   63  O   HOH A  10     -11.286   1.756  -1.468  1.00 17.08           O  
HETATM   64  O   HOH A  11      11.808   4.179   9.970  1.00 23.99           O  
HETATM   65  O   HOH A  12      13.605   1.327   9.198  1.00 26.17           O  
HETATM   66  O   HOH A  13      -2.749   3.429  10.024  1.00 39.15           O  
HETATM   67  O   HOH A  14      -1.500   0.682  10.967  1.00 43.49           O  
MASTER      234    0    0    0    0    0    0    6   66    1    0    1          
END                                                                             
