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Database: PDB
Entry: 2OQS
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Original site: 2OQS 
HEADER    PEPTIDE-BINDING PROTEIN                 01-FEB-07   2OQS              
TITLE     STRUCTURE OF THE HDLG/SAP97 PDZ2 IN COMPLEX WITH HPV-18               
TITLE    2 PAPILLOMAVIRUS E6 PEPTIDE                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DISKS LARGE HOMOLOG 1;                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SECOND PDZ DOMAIN, RESIDUES 318-406;                       
COMPND   5 SYNONYM: SYNAPSE-ASSOCIATED PROTEIN 97, SAP-97, HDLG;                
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: C-TERMINAL HPV-18 E6 PEPTIDE;                              
COMPND   9 CHAIN: B;                                                            
COMPND  10 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: DLG1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET30A(+);                                
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES;                                                      
SOURCE  13 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HOMO                
SOURCE  14 SAPIENS (HUMAN)                                                      
KEYWDS    HPV E6, HDLG PDZ DOMAIN, PROTEIN-PEPTIDE COMPLEX, PEPTIDE-            
KEYWDS   2 BINDING PROTEIN                                                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    30                                                                    
AUTHOR    Y.LIU,J.D.BALEJA,G.D.HENRY,R.S.HEGDE                                  
REVDAT   3   24-FEB-09 2OQS    1       VERSN                                    
REVDAT   2   23-OCT-07 2OQS    1       JRNL                                     
REVDAT   1   04-SEP-07 2OQS    0                                                
JRNL        AUTH   Y.LIU,G.D.HENRY,R.S.HEGDE,J.D.BALEJA                         
JRNL        TITL   SOLUTION STRUCTURE OF THE HDLG/SAP97 PDZ2 DOMAIN             
JRNL        TITL 2 AND ITS MECHANISM OF INTERACTION WITH HPV-18                 
JRNL        TITL 3 PAPILLOMAVIRUS E6 PROTEIN.                                   
JRNL        REF    BIOCHEMISTRY                  V.  46 10864 2007              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   17713926                                                     
JRNL        DOI    10.1021/BI700879K                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1                                              
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL       
REMARK   3  OF 1426 RESTRAINTS, 1126 ARE NOE-DERIVED DISTANCE CONSTRAINTS,      
REMARK   3  163 DIHEDRAL ANGLE RESTRAINTS, 50 DISTANCE RESTRAINTS FROM          
REMARK   3  HYDROGEN BONDS AND 87 NH RESIDUAL DIPOLAR COUPLINGS.                
REMARK   4                                                                      
REMARK   4 2OQS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-FEB-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB041472.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293; 293; 293; 293; 293; 293       
REMARK 210  PH                             : 6.5; 6.5; 6.5; 6.5; 6.5; 6.5       
REMARK 210  IONIC STRENGTH                 : 28.2 MM; 28.2 MM; 28.2 MM;         
REMARK 210                                   28.2 MM; 28.2 MM; 28.2 MM          
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT; AMBIENT;         
REMARK 210                                   AMBIENT; AMBIENT; AMBIENT          
REMARK 210  SAMPLE CONTENTS                : 2MM HDLG/SAP97 PDZ2 DOMAIN,        
REMARK 210                                   3MM HPV-18 E6 PEPTIDE, 4 MM        
REMARK 210                                   TCEP, 20 UM DSS, 20MM              
REMARK 210                                   PHOSPHATE BUFFER, PH 6.5,          
REMARK 210                                   99.5% D2O; 2MM HDLG/SAP97 PDZ2     
REMARK 210                                   DOMAIN U-15N, 3MM HPV-18 E6        
REMARK 210                                   PEPTIDE, 4 MM TCEP, 20 UM DSS,     
REMARK 210                                   20MM PHOSPHATE BUFFER, PH 6.5,     
REMARK 210                                   90% H2O, 10% D2O; 2 MM HDLG/       
REMARK 210                                   SAP97 PDZ2 DOMAIN U-15N, 13C,      
REMARK 210                                   3 MM HPV-18 E6 PEPTIDE, 4 MM       
REMARK 210                                   TCEP, 20 UM DSS, 20 MM             
REMARK 210                                   PHOSPHATE BUFFER, PH 6.5, 90%      
REMARK 210                                   H2O, 10% D2O; 2 MM HDLG/SAP97      
REMARK 210                                   PDZ2 DOMAIN, U-15N, U-10%13C,      
REMARK 210                                   3 MM HPV-18 E6 PEPTIDE, 4 MM       
REMARK 210                                   TCEP, 20 UM DSS, 20MM              
REMARK 210                                   PHOSPHATE BUFFER, PH 6.5; 2 MM     
REMARK 210                                   HDLG/SAP97 PDZ2 DOMAIN, U-15N,     
REMARK 210                                   3 MM HPV-18 E6 PEPTIDE, 5%         
REMARK 210                                   C8E5, C8E5/N-OCTANOL 0.87, 4       
REMARK 210                                   MM TCEP, 20 UM DSS, 20MM           
REMARK 210                                   PHOSPHATE BUFFER, PH 6.5, 90%      
REMARK 210                                   H2O, 10% D2O; 2 MM HDLG/SAP97      
REMARK 210                                   PDZ2 DOMAIN, U-15N, 3 MM HPV-      
REMARK 210                                   18 E6 PEPTIDE, 10 MG/ML PF1        
REMARK 210                                   PHAGE, 4 MM TCEP, 20 UM DSS,       
REMARK 210                                   20MM PHOSPHATE BUFFER, PH 6.5,     
REMARK 210                                   90% H2O, 10% D2O                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, 3D_15N-SEPARATED_        
REMARK 210                                   NOESY, HCCH-TOCSY, HNCACB,         
REMARK 210                                   CBCACONH, HBHA(CO)NH, CT-13C/      
REMARK 210                                   1H-HSQC, HSQC-DSSE (IPAP) FOR      
REMARK 210                                   HN RDC                             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE DRX                         
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 3.5, SPARKY 3.112,         
REMARK 210                                   CNS 1.1                            
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 30                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 30                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : ALL CALCULATED STRUCTURES          
REMARK 210                                   SUBMITTED                          
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR      
REMARK 210  SPECTROSCOPY.                                                       
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-30                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     HIS A    93                                                      
REMARK 465     HIS A    94                                                      
REMARK 465     HIS A    95                                                      
REMARK 465     HIS A    96                                                      
REMARK 465     HIS A    97                                                      
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  1 SER A  30     -179.61    -69.99                                   
REMARK 500  1 ASN A  59      -13.38     82.66                                   
REMARK 500  1 SER A  78      -86.09    -91.31                                   
REMARK 500  1 THR A  89      -64.00   -132.42                                   
REMARK 500  2 PRO A   9      -83.22    -72.65                                   
REMARK 500  2 ASN A  59      -17.82     90.05                                   
REMARK 500  2 SER A  78      -79.98   -128.67                                   
REMARK 500  3 SER A  30     -179.40    -67.16                                   
REMARK 500  3 ASN A  59      -12.79     77.58                                   
REMARK 500  3 SER A  78      -75.43   -129.83                                   
REMARK 500  4 ASN A  59      -14.50     80.72                                   
REMARK 500  4 GLU A  63     -102.65    -97.46                                   
REMARK 500  4 GLU A  64       55.74    -63.56                                   
REMARK 500  4 THR A  66     -169.66    -65.86                                   
REMARK 500  4 SER A  78      -84.86   -102.41                                   
REMARK 500  4 THR A  89      -62.40   -140.96                                   
REMARK 500  5 ASN A  22       26.64   -140.72                                   
REMARK 500  5 SER A  30     -178.38    -69.18                                   
REMARK 500  5 ASN A  59      -16.71     84.13                                   
REMARK 500  5 THR A  66     -179.70    -68.34                                   
REMARK 500  5 SER A  78      -82.18   -116.72                                   
REMARK 500  5 THR A  89       87.94   -156.24                                   
REMARK 500  6 SER A  30     -179.35    -69.42                                   
REMARK 500  6 ASN A  59      -14.80     81.61                                   
REMARK 500  6 SER A  78      -80.58   -121.38                                   
REMARK 500  6 THR A  89      -62.66   -130.12                                   
REMARK 500  7 ASN A  22       26.66   -140.32                                   
REMARK 500  7 ASN A  59      -20.15     85.53                                   
REMARK 500  7 SER A  78      -80.61   -110.04                                   
REMARK 500  8 LYS A  10     -123.78    -79.96                                   
REMARK 500  8 SER A  30     -179.36    -66.29                                   
REMARK 500  8 ASN A  59      -19.12     76.00                                   
REMARK 500  8 GLU A  64       50.46   -116.81                                   
REMARK 500  8 THR A  66     -170.63    -68.89                                   
REMARK 500  8 SER A  78      -91.16    -88.54                                   
REMARK 500  8 THR A  89      -58.48   -126.80                                   
REMARK 500  9 LYS A  10      -70.08    -62.61                                   
REMARK 500  9 LYS A  35      133.52   -172.10                                   
REMARK 500  9 ASN A  59      -21.20     65.40                                   
REMARK 500  9 THR A  66     -171.13    -65.03                                   
REMARK 500  9 SER A  78      -80.50   -135.26                                   
REMARK 500 10 PRO A   9      -80.05    -73.10                                   
REMARK 500 10 LYS A  10      -73.05    -59.30                                   
REMARK 500 10 ASN A  59      -20.12     88.29                                   
REMARK 500 10 SER A  78     -123.67   -136.40                                   
REMARK 500 11 PRO A   9      -76.62    -73.34                                   
REMARK 500 11 ASN A  59      -16.40     85.23                                   
REMARK 500 11 SER A  78      -75.95   -125.25                                   
REMARK 500 11 THR A  89      -74.84   -146.14                                   
REMARK 500 12 LYS A  10      -67.13   -160.95                                   
REMARK 500 12 SER A  30     -179.86    -67.49                                   
REMARK 500 12 ASN A  59      -18.09     87.42                                   
REMARK 500 12 THR A  66     -172.61    -69.84                                   
REMARK 500 12 SER A  78      -81.08   -114.91                                   
REMARK 500 13 LYS A  10      -79.87   -143.72                                   
REMARK 500 13 ILE A  50      141.08    -33.74                                   
REMARK 500 13 ASN A  59      -21.60     64.11                                   
REMARK 500 13 THR A  66     -171.86    -66.45                                   
REMARK 500 13 SER A  78      -74.43   -133.84                                   
REMARK 500 14 ASN A  59      -18.35     89.69                                   
REMARK 500 14 THR A  77      139.02    -37.45                                   
REMARK 500 14 SER A  78      -81.53   -135.14                                   
REMARK 500 14 ASP A  79      -60.10    -94.64                                   
REMARK 500 15 PRO A   9      -74.93    -71.34                                   
REMARK 500 15 LYS A  10      -76.43    -56.41                                   
REMARK 500 15 ASN A  59      -18.83     84.39                                   
REMARK 500 15 THR A  66     -177.30    -68.80                                   
REMARK 500 15 SER A  78     -148.12   -111.52                                   
REMARK 500 16 LYS A  10      -69.98   -151.48                                   
REMARK 500 16 ASN A  22       25.01   -141.92                                   
REMARK 500 16 ASN A  59      -20.48     85.04                                   
REMARK 500 16 GLU A  63     -110.95    -88.64                                   
REMARK 500 16 GLU A  64       81.68    -59.77                                   
REMARK 500 16 SER A  78      -81.85   -122.19                                   
REMARK 500 17 PRO A   9      -81.64    -67.91                                   
REMARK 500 17 ASN A  22       26.28   -142.41                                   
REMARK 500 17 ASN A  59      -16.95     86.05                                   
REMARK 500 17 SER A  78      -79.07   -128.27                                   
REMARK 500 18 SER A  30     -179.34    -69.48                                   
REMARK 500 18 ASN A  59      -13.99     79.16                                   
REMARK 500 18 SER A  78      -87.26    -87.33                                   
REMARK 500 19 PRO A   9      -82.01    -59.27                                   
REMARK 500 19 ASN A  59      -16.87     84.65                                   
REMARK 500 19 GLU A  63     -106.25    -89.07                                   
REMARK 500 19 GLU A  64       65.79    -62.02                                   
REMARK 500 19 SER A  78      -82.06   -106.43                                   
REMARK 500 19 THR A  89      -70.55   -144.95                                   
REMARK 500 20 PRO A   9      -73.88    -62.30                                   
REMARK 500 20 SER A  30     -179.73    -67.45                                   
REMARK 500 20 ASN A  59      -14.96     80.68                                   
REMARK 500 20 THR A  66     -167.30    -71.28                                   
REMARK 500 20 SER A  78      -80.26   -116.14                                   
REMARK 500 21 PRO A   9      -78.58    -68.90                                   
REMARK 500 21 ASN A  59      -16.54     84.88                                   
REMARK 500 21 THR A  66     -170.63    -69.51                                   
REMARK 500 21 SER A  78     -143.95   -106.71                                   
REMARK 500 21 THR A  89      -69.07   -140.64                                   
REMARK 500 22 LYS A  10      -79.98   -173.94                                   
REMARK 500 22 ASN A  22       24.25   -142.71                                   
REMARK 500 22 ILE A  50      135.65    -36.76                                   
REMARK 500 22 ASN A  59      -21.15     65.48                                   
REMARK 500 22 SER A  78     -147.59   -104.23                                   
REMARK 500 22 THR A  89      -64.06   -129.19                                   
REMARK 500 23 PRO A   9       46.10    -80.13                                   
REMARK 500 23 LYS A  10      -60.09   -150.95                                   
REMARK 500 23 ASN A  59      -16.61     86.60                                   
REMARK 500 23 SER A  78      -74.53   -134.75                                   
REMARK 500 23 THR A  89      -72.84   -142.03                                   
REMARK 500 24 SER A  30     -179.09    -69.21                                   
REMARK 500 24 ASN A  59      -16.77     82.28                                   
REMARK 500 24 THR A  66     -170.55    -67.77                                   
REMARK 500 24 ASN A  76       68.87    -69.79                                   
REMARK 500 24 SER A  78      -79.64   -121.53                                   
REMARK 500 24 THR A  89      -69.87   -141.25                                   
REMARK 500 25 LYS A  10      -96.11    -57.46                                   
REMARK 500 25 ASN A  22       26.39   -142.08                                   
REMARK 500 25 ASN A  59      -16.86     85.78                                   
REMARK 500 25 ASN A  76       85.38    -54.63                                   
REMARK 500 25 SER A  78     -136.40   -135.71                                   
REMARK 500 26 PRO A   9       34.31    -82.64                                   
REMARK 500 26 LYS A  10      -70.26   -176.30                                   
REMARK 500 26 SER A  30     -179.62    -68.29                                   
REMARK 500 26 ASN A  59      -15.29     82.66                                   
REMARK 500 26 THR A  66     -170.67    -69.20                                   
REMARK 500 26 SER A  78      -79.56   -117.27                                   
REMARK 500 27 PRO A   9       31.86    -81.48                                   
REMARK 500 27 LYS A  10      -72.78   -132.72                                   
REMARK 500 27 ASN A  59      -18.26     86.77                                   
REMARK 500 27 SER A  78      -78.68   -115.84                                   
REMARK 500 28 PRO A   9       42.09    -79.36                                   
REMARK 500 28 LYS A  10      -89.41   -171.38                                   
REMARK 500 28 ASN A  59      -19.52     87.83                                   
REMARK 500 28 SER A  78      -81.44   -109.81                                   
REMARK 500 28 THR A  89      -67.47   -138.01                                   
REMARK 500 29 PRO A   9       48.63    -80.09                                   
REMARK 500 29 LYS A  10      -61.23   -159.17                                   
REMARK 500 29 SER A  30     -179.44    -69.53                                   
REMARK 500 29 GLU A  38      145.85    -34.76                                   
REMARK 500 29 ASN A  59      -15.39     82.31                                   
REMARK 500 29 THR A  66     -173.93    -69.13                                   
REMARK 500 29 SER A  78      -85.56    -91.20                                   
REMARK 500 30 PRO A   9      -77.76    -62.68                                   
REMARK 500 30 SER A  30     -179.06    -69.91                                   
REMARK 500 30 ASN A  59      -18.08     84.94                                   
REMARK 500 30 THR A  66     -169.72    -69.69                                   
REMARK 500 30 THR A  77      122.32    -33.54                                   
REMARK 500 30 SER A  78      -88.31   -105.90                                   
REMARK 500 30 THR A  89      100.44   -166.61                                   
REMARK 500 30 ARG B 302       86.79     59.57                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2OQS A    1    89  UNP    Q12959   DLG1_HUMAN     318    405             
DBREF  2OQS B  301   306  PDB    2OQS     2OQS           301    306             
SEQADV 2OQS GLY A   90  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS SER A   91  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS HIS A   92  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS HIS A   93  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS HIS A   94  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS HIS A   95  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS HIS A   96  UNP  Q12959              EXPRESSION TAG                 
SEQADV 2OQS HIS A   97  UNP  Q12959              EXPRESSION TAG                 
SEQRES   1 A   97  MET GLU ILE LYS LEU ILE LYS GLY PRO LYS GLY LEU GLY          
SEQRES   2 A   97  PHE SER ILE ALA GLY GLY VAL GLY ASN GLN HIS ILE PRO          
SEQRES   3 A   97  GLY ASP ASN SER ILE TYR VAL THR LYS ILE ILE GLU GLY          
SEQRES   4 A   97  GLY ALA ALA HIS LYS ASP GLY LYS LEU GLN ILE GLY ASP          
SEQRES   5 A   97  LYS LEU LEU ALA VAL ASN ASN VAL CYS LEU GLU GLU VAL          
SEQRES   6 A   97  THR HIS GLU GLU ALA VAL THR ALA LEU LYS ASN THR SER          
SEQRES   7 A   97  ASP PHE VAL TYR LEU LYS VAL ALA LYS PRO THR GLY SER          
SEQRES   8 A   97  HIS HIS HIS HIS HIS HIS                                      
SEQRES   1 B    6  ARG ARG GLU THR GLN VAL                                      
HELIX    1   1 GLY A   40  GLY A   46  1                                   7    
HELIX    2   2 THR A   66  ASN A   76  1                                  11    
SHEET    1   A 4 GLU A   2  ILE A   6  0                                        
SHEET    2   A 4 PHE A  80  ALA A  86 -1  O  VAL A  81   N  LEU A   5           
SHEET    3   A 4 LYS A  53  VAL A  57 -1  N  ALA A  56   O  LYS A  84           
SHEET    4   A 4 ILE A  31  TYR A  32 -1  N  ILE A  31   O  LEU A  54           
SHEET    1   B 4 GLU A   2  ILE A   6  0                                        
SHEET    2   B 4 PHE A  80  ALA A  86 -1  O  VAL A  81   N  LEU A   5           
SHEET    3   B 4 LYS A  53  VAL A  57 -1  N  ALA A  56   O  LYS A  84           
SHEET    4   B 4 VAL A  60  CYS A  61 -1  O  VAL A  60   N  VAL A  57           
SHEET    1   C 2 SER A  15  ALA A  17  0                                        
SHEET    2   C 2 GLU B 303  GLN B 305 -1  O  THR B 304   N  ILE A  16           
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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