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Database: PDB
Entry: 1AOU
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Original site: 1AOU 
HEADER    COMPLEX (PROTO-ONCOGENE/EARLY PROTEIN)  10-JUL-97   1AOU              
TITLE     NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A                  
TITLE    2 PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES                                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: FYN PROTEIN-TYROSINE KINASE;                               
COMPND   3 CHAIN: F;                                                            
COMPND   4 FRAGMENT: SH2 DOMAIN;                                                
COMPND   5 SYNONYM: SRC HOMOLOGY 2 DOMAIN;                                      
COMPND   6 EC: 2.7.1.112;                                                       
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES;                                                       
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: PHOSPHOTYROSYL PEPTIDE;                                    
COMPND  11 CHAIN: P                                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 CELL_LINE: BL21;                                                     
SOURCE   6 GENE: LYSS;                                                          
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  10 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PRK172;                                   
SOURCE  12 EXPRESSION_SYSTEM_GENE: LYSS;                                        
SOURCE  13 MOL_ID: 2;                                                           
SOURCE  14 ORGANISM_SCIENTIFIC: HAMSTER POLYOMAVIRUS;                           
SOURCE  15 ORGANISM_TAXID: 10626                                                
KEYWDS    SH2 DOMAIN, SIGNAL TRANSDUCTION, PEPTIDE COMPLEX, COMPLEX             
KEYWDS   2 (PROTO-ONCOGENE/EARLY PROTEIN)                                       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    22                                                                    
AUTHOR    T.D.MULHERN,G.L.SHAW,C.J.MORTON,A.J.DAY,I.D.CAMPBELL                  
REVDAT   2   24-FEB-09 1AOU    1       VERSN                                    
REVDAT   1   14-JAN-98 1AOU    0                                                
JRNL        AUTH   T.D.MULHERN,G.L.SHAW,C.J.MORTON,A.J.DAY,                     
JRNL        AUTH 2 I.D.CAMPBELL                                                 
JRNL        TITL   THE SH2 DOMAIN FROM THE TYROSINE KINASE FYN IN               
JRNL        TITL 2 COMPLEX WITH A PHOSPHOTYROSYL PEPTIDE REVEALS                
JRNL        TITL 3 INSIGHTS INTO DOMAIN STABILITY AND BINDING                   
JRNL        TITL 4 SPECIFICITY.                                                 
JRNL        REF    STRUCTURE                     V.   5  1313 1997              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   9351806                                                      
JRNL        DOI    10.1016/S0969-2126(97)00283-9                                
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   A.PINTAR,M.HENSMANN,K.JUMEL,M.PITKEATHLY,                    
REMARK   1  AUTH 2 S.E.HARDING,I.D.CAMPBELL                                     
REMARK   1  TITL   SOLUTION STUDIES OF THE SH2 DOMAIN FROM THE FYN              
REMARK   1  TITL 2 TYROSINE KINASE: SECONDARY STRUCTURE, BACKBONE               
REMARK   1  TITL 3 DYNAMICS AND PROTEIN ASSOCIATION                             
REMARK   1  REF    EUR.BIOPHYS.J.                V.  24   371 1996              
REMARK   1  REFN                   ISSN 0175-7571                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN        
REMARK   3  THE JRNL CITATION ABOVE.                                            
REMARK   4                                                                      
REMARK   4 1AOU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY, DQF-COSY, TOCSY, HSQC,      
REMARK 210                                   NOESY-HSQC, TOCSY-HSQC,            
REMARK 210                                   CBCA(CO)NH, HCCH-TOCSY, XF-        
REMARK 210                                   NOESY, XF-TOCSY                    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 600 MHZ, 750 MHZ          
REMARK 210  SPECTROMETER MODEL             : OMEGA                              
REMARK 210  SPECTROMETER MANUFACTURER      : HOME-BUILT                         
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR                             
REMARK 210   METHOD USED                   : DYNAMICAL SIMULATED ANNEALING      
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 22                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LEAST VIOLATIONS                   
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
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 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 ILE F   2      -92.77    -43.69                                   
REMARK 500  1 GLN F   3      -97.16    -89.28                                   
REMARK 500  1 ALA F   4      -47.88   -167.75                                   
REMARK 500  1 GLU F   5       33.65    166.48                                   
REMARK 500  1 LYS F  11       71.43   -107.00                                   
REMARK 500  1 ARG F  19      -77.52    -66.96                                   
REMARK 500  1 ARG F  28      176.86    -48.79                                   
REMARK 500  1 ARG F  34      154.35    175.63                                   
REMARK 500  1 ASP F  52       32.84    -83.89                                   
REMARK 500  1 MET F  53       39.69   -161.78                                   
REMARK 500  1 LYS F  54      -28.78    178.94                                   
REMARK 500  1 VAL F  58      118.93   -160.04                                   
REMARK 500  1 TYR F  72      125.81    178.00                                   
REMARK 500  1 PHE F  79     -158.90   -148.83                                   
REMARK 500  1 ALA F  94       -8.34     81.53                                   
REMARK 500  1 SER F  98     -167.05    164.15                                   
REMARK 500  1 ARG F  99     -151.07    -61.29                                   
REMARK 500  1 LEU F 100     -163.22   -118.61                                   
REMARK 500  1 SER F 104       51.60   -106.43                                   
REMARK 500  1 ILE P 209      -36.61   -167.70                                   
REMARK 500  1 TYR P 210     -171.13    -58.64                                   
REMARK 500  2 GLU F   5      -12.01    147.27                                   
REMARK 500  2 GLU F   6      -58.49   -130.08                                   
REMARK 500  2 LYS F  11       72.10   -105.70                                   
REMARK 500  2 ARG F  19      -75.79    -65.96                                   
REMARK 500  2 PRO F  27     -159.35    -78.09                                   
REMARK 500  2 ARG F  34      162.03    173.64                                   
REMARK 500  2 ASP F  52       36.59    -84.07                                   
REMARK 500  2 MET F  53       36.35   -161.86                                   
REMARK 500  2 LYS F  54      -28.42    178.01                                   
REMARK 500  2 VAL F  58      115.91   -160.23                                   
REMARK 500  2 ALA F  94      -12.37     95.33                                   
REMARK 500  2 LEU F 100     -170.59    -50.81                                   
REMARK 500  2 PRO F 103     -159.62    -79.39                                   
REMARK 500  2 SER F 104       76.96   -153.05                                   
REMARK 500  2 HIS F 105     -151.52    -67.77                                   
REMARK 500  2 PRO P 208     -169.84    -78.82                                   
REMARK 500  2 ILE P 209      -34.72   -175.32                                   
REMARK 500  2 TYR P 210     -173.44    -55.66                                   
REMARK 500  3 ALA F   4       84.30     42.74                                   
REMARK 500  3 GLU F   5      -37.31   -164.70                                   
REMARK 500  3 GLU F   6      -36.03   -136.66                                   
REMARK 500  3 LYS F  11       67.72   -104.39                                   
REMARK 500  3 ARG F  19      -74.04    -63.77                                   
REMARK 500  3 PHE F  24       96.18    -44.01                                   
REMARK 500  3 PRO F  27     -169.48    -78.06                                   
REMARK 500  3 ARG F  28      158.58    -45.25                                   
REMARK 500  3 ARG F  34      140.46    174.67                                   
REMARK 500  3 LYS F  40      -31.57    -37.69                                   
REMARK 500  3 ALA F  42     -156.96    -78.66                                   
REMARK 500  3 ASP F  52       41.23    -85.37                                   
REMARK 500  3 MET F  53       22.32   -161.68                                   
REMARK 500  3 LYS F  54      -30.34   -172.81                                   
REMARK 500  3 LYS F  62      109.12    -56.62                                   
REMARK 500  3 ALA F  77      117.51   -161.38                                   
REMARK 500  3 ALA F  94       -7.87     81.63                                   
REMARK 500  3 SER F  98      155.23    174.13                                   
REMARK 500  3 ARG F  99       86.98    -31.97                                   
REMARK 500  3 LEU F 100     -158.04     33.99                                   
REMARK 500  3 ILE P 209      -39.21   -141.22                                   
REMARK 500  3 TYR P 210     -169.89    -61.49                                   
REMARK 500  4 ILE F   2      161.13    -44.59                                   
REMARK 500  4 ALA F   4      165.18     54.54                                   
REMARK 500  4 GLU F   6      -57.95   -148.90                                   
REMARK 500  4 LYS F  11       70.44   -103.71                                   
REMARK 500  4 PHE F  24      123.63    178.42                                   
REMARK 500  4 ASN F  26      162.70    163.88                                   
REMARK 500  4 PRO F  27     -163.75    -78.31                                   
REMARK 500  4 ARG F  28      158.01    -44.47                                   
REMARK 500  4 THR F  30       63.27   -101.48                                   
REMARK 500  4 ARG F  34      162.66    172.66                                   
REMARK 500  4 ASP F  49       56.39   -145.88                                   
REMARK 500  4 ASP F  52       42.18    -86.55                                   
REMARK 500  4 MET F  53       29.61   -161.32                                   
REMARK 500  4 LYS F  54      -28.32   -179.43                                   
REMARK 500  4 ALA F  94      -12.91     94.44                                   
REMARK 500  4 ARG F  99     -133.04    -72.27                                   
REMARK 500  4 SER F 104       88.49     62.19                                   
REMARK 500  4 HIS F 105       37.10    -88.77                                   
REMARK 500  4 ILE P 209      -39.45   -151.64                                   
REMARK 500  5 GLU F   5       13.10   -147.76                                   
REMARK 500  5 GLU F   6      -36.84   -156.50                                   
REMARK 500  5 LYS F  11       72.89   -112.30                                   
REMARK 500  5 ARG F  19      -70.26    -58.84                                   
REMARK 500  5 LEU F  21      -71.85    -48.58                                   
REMARK 500  5 SER F  23     -162.38    -56.66                                   
REMARK 500  5 ASN F  26      149.14   -173.22                                   
REMARK 500  5 PRO F  27     -168.57    -77.90                                   
REMARK 500  5 ARG F  28      168.40    -46.93                                   
REMARK 500  5 LEU F  32     -169.06   -111.19                                   
REMARK 500  5 ARG F  34      136.19    175.87                                   
REMARK 500  5 ALA F  42     -157.00    -81.04                                   
REMARK 500  5 TYR F  43     -169.10   -130.00                                   
REMARK 500  5 ASP F  52       38.86    -88.39                                   
REMARK 500  5 MET F  53       11.67   -144.24                                   
REMARK 500  5 LYS F  54      -28.03   -173.30                                   
REMARK 500  5 ALA F  94      -14.53     93.22                                   
REMARK 500  5 ARG F  99     -136.87    -58.46                                   
REMARK 500  5 ILE P 209      -39.49   -145.49                                   
REMARK 500  5 TYR P 210     -170.16    -68.13                                   
REMARK 500  6 GLN F   3     -108.88    -90.22                                   
REMARK 500  6 ALA F   4       35.31    164.77                                   
REMARK 500  6 GLU F   5      -34.01   -178.82                                   
REMARK 500  6 LYS F  11       69.29   -105.56                                   
REMARK 500  6 ARG F  19      -73.47    -61.77                                   
REMARK 500  6 LEU F  21      -70.48    -48.71                                   
REMARK 500  6 SER F  23      173.29    -51.93                                   
REMARK 500  6 PRO F  27     -167.63    -77.96                                   
REMARK 500  6 ARG F  28      175.26    -53.16                                   
REMARK 500  6 ARG F  34      159.67    171.36                                   
REMARK 500  6 ALA F  42     -151.33    -85.43                                   
REMARK 500  6 LEU F  45       84.88   -152.51                                   
REMARK 500  6 ASP F  49       53.44   -143.57                                   
REMARK 500  6 TRP F  50      167.39    -49.45                                   
REMARK 500  6 ASP F  52       42.44    -86.07                                   
REMARK 500  6 MET F  53       23.43   -161.29                                   
REMARK 500  6 LYS F  54      -28.79   -173.83                                   
REMARK 500  6 ALA F  94      -16.06     94.07                                   
REMARK 500  6 LEU F 100     -173.26    -49.39                                   
REMARK 500  6 ILE P 207      103.10    -43.15                                   
REMARK 500  6 ILE P 209       38.12    178.66                                   
REMARK 500  7 ALA F   4       22.35     48.63                                   
REMARK 500  7 GLU F   5       11.86   -145.31                                   
REMARK 500  7 GLU F   6       15.12   -148.01                                   
REMARK 500  7 TRP F   7       16.45    164.76                                   
REMARK 500  7 LYS F  11       70.12   -105.01                                   
REMARK 500  7 GLN F  20      -71.99    -90.03                                   
REMARK 500  7 SER F  23       44.01   -101.99                                   
REMARK 500  7 ARG F  28      171.21    -45.91                                   
REMARK 500  7 LEU F  32     -168.45   -108.89                                   
REMARK 500  7 ARG F  34      141.49    179.21                                   
REMARK 500  7 ASP F  52       46.09    -85.67                                   
REMARK 500  7 MET F  53       20.08   -161.97                                   
REMARK 500  7 LYS F  54      -28.89   -176.83                                   
REMARK 500  7 TYR F  72      133.53    178.03                                   
REMARK 500  7 THR F  75        1.21    -67.35                                   
REMARK 500  7 ALA F  77      101.76   -161.89                                   
REMARK 500  7 ALA F  93      -62.49    -90.31                                   
REMARK 500  7 ALA F  94      -17.31    115.09                                   
REMARK 500  7 LEU F  96     -124.36    -80.00                                   
REMARK 500  7 SER F  98       80.60    169.64                                   
REMARK 500  7 ARG F  99     -150.87     36.01                                   
REMARK 500  7 LEU F 100     -161.01   -103.82                                   
REMARK 500  7 ILE P 209       34.90    179.29                                   
REMARK 500  8 ILE F   2      -93.33    -45.89                                   
REMARK 500  8 GLN F   3      -93.75    -89.41                                   
REMARK 500  8 ALA F   4      -42.93   -169.24                                   
REMARK 500  8 GLU F   5       33.99    162.87                                   
REMARK 500  8 LYS F  11       72.67   -106.57                                   
REMARK 500  8 ARG F  19      -81.36    -76.07                                   
REMARK 500  8 GLN F  20      -30.86    -36.77                                   
REMARK 500  8 SER F  23      -84.43    -42.35                                   
REMARK 500  8 ARG F  28      162.15    -43.42                                   
REMARK 500  8 ARG F  34      154.26    179.54                                   
REMARK 500  8 ASP F  49       89.11   -155.83                                   
REMARK 500  8 MET F  53      -27.13   -161.26                                   
REMARK 500  8 LYS F  62      109.64    -53.89                                   
REMARK 500  8 ALA F  94      -19.00     93.58                                   
REMARK 500  8 LEU F  96     -168.84    -79.28                                   
REMARK 500  8 SER F  98      104.13    168.70                                   
REMARK 500  8 ARG F  99     -165.72     37.82                                   
REMARK 500  8 LEU F 100     -140.31    -74.91                                   
REMARK 500  8 VAL F 101       45.92    -83.44                                   
REMARK 500  8 VAL F 102      142.68     61.19                                   
REMARK 500  8 HIS F 105      137.28    -38.53                                   
REMARK 500  8 ILE P 209       15.37   -148.17                                   
REMARK 500  9 ILE F   2      -73.97    -64.47                                   
REMARK 500  9 GLN F   3      -95.06    -90.34                                   
REMARK 500  9 ALA F   4       40.07   -178.76                                   
REMARK 500  9 GLU F   5       11.32     82.39                                   
REMARK 500  9 GLU F   6      -75.46    -81.84                                   
REMARK 500  9 LYS F  11       70.31   -107.10                                   
REMARK 500  9 ARG F  19      -74.40    -68.10                                   
REMARK 500  9 ARG F  34      155.34    173.04                                   
REMARK 500  9 ASP F  52       48.77    -84.88                                   
REMARK 500  9 MET F  53      -30.18   -161.09                                   
REMARK 500  9 VAL F  58      115.86   -160.42                                   
REMARK 500  9 ALA F  94       -5.93    104.21                                   
REMARK 500  9 LEU F  96     -153.78    -78.51                                   
REMARK 500  9 SER F  98       71.76   -167.73                                   
REMARK 500  9 ARG F  99     -141.98     37.71                                   
REMARK 500  9 LEU F 100     -161.50   -113.99                                   
REMARK 500  9 VAL F 101      102.05    -46.27                                   
REMARK 500  9 PRO P 208     -167.79    -78.66                                   
REMARK 500  9 ILE P 209      -40.95   -141.33                                   
REMARK 500  9 TYR P 210     -176.61    -51.10                                   
REMARK 500 10 GLN F   3     -110.80    -90.78                                   
REMARK 500 10 ALA F   4       26.65   -173.32                                   
REMARK 500 10 GLU F   5     -176.11    160.98                                   
REMARK 500 10 GLU F   6       -0.46     74.67                                   
REMARK 500 10 TRP F   7      -17.48    165.55                                   
REMARK 500 10 LYS F  11       72.78   -112.06                                   
REMARK 500 10 SER F  23      -74.09    -50.97                                   
REMARK 500 10 PHE F  24      135.35    173.54                                   
REMARK 500 10 PRO F  27     -159.21    -78.46                                   
REMARK 500 10 ARG F  34      154.14    172.99                                   
REMARK 500 10 ALA F  42     -159.60    -86.60                                   
REMARK 500 10 ASP F  52       49.07    -85.17                                   
REMARK 500 10 MET F  53      -30.17   -161.16                                   
REMARK 500 10 VAL F  58      117.96   -160.22                                   
REMARK 500 10 TYR F  72      120.46    175.61                                   
REMARK 500 10 GLU F  80      -30.65    -33.87                                   
REMARK 500 10 ALA F  94      -11.12     83.08                                   
REMARK 500 10 SER F  98     -176.55    162.93                                   
REMARK 500 10 ARG F  99     -167.77    -63.11                                   
REMARK 500 10 ILE P 209      -39.30   -141.20                                   
REMARK 500 10 TYR P 210     -169.61    -63.60                                   
REMARK 500 11 ILE F   2     -168.52    -54.45                                   
REMARK 500 11 ALA F   4       19.50     51.88                                   
REMARK 500 11 GLU F   5       28.40   -161.71                                   
REMARK 500 11 GLU F   6      -56.94   -156.48                                   
REMARK 500 11 LYS F  11       71.09   -117.27                                   
REMARK 500 11 SER F  23       78.73   -100.75                                   
REMARK 500 11 PHE F  24      -39.57    174.85                                   
REMARK 500 11 ASN F  26      102.36    -42.36                                   
REMARK 500 11 ARG F  28      154.97    -43.96                                   
REMARK 500 11 ARG F  34      160.18    179.33                                   
REMARK 500 11 GLU F  37       14.60   -140.91                                   
REMARK 500 11 ALA F  42     -156.62    -79.89                                   
REMARK 500 11 ASP F  49       53.17   -145.47                                   
REMARK 500 11 ASP F  52       32.02    -84.08                                   
REMARK 500 11 MET F  53       40.44   -161.76                                   
REMARK 500 11 LYS F  54      -28.99    178.69                                   
REMARK 500 11 ALA F  94       -9.13     82.49                                   
REMARK 500 11 SER F  98     -174.72    162.15                                   
REMARK 500 11 ARG F  99     -169.88    -54.01                                   
REMARK 500 11 LEU F 100     -153.94    -71.23                                   
REMARK 500 11 SER F 104       50.92   -106.53                                   
REMARK 500 11 ILE P 209       14.45   -147.27                                   
REMARK 500 12 ALA F   4       84.40     43.04                                   
REMARK 500 12 GLU F   5      -35.27   -164.51                                   
REMARK 500 12 GLU F   6      -38.02   -139.89                                   
REMARK 500 12 LYS F  11       70.91   -109.34                                   
REMARK 500 12 PHE F  24       95.44    -43.49                                   
REMARK 500 12 PRO F  27     -167.42    -78.50                                   
REMARK 500 12 PHE F  31       89.55   -155.22                                   
REMARK 500 12 ARG F  34      149.89    178.32                                   
REMARK 500 12 ALA F  42     -159.44    -82.26                                   
REMARK 500 12 ASP F  52       35.19    -84.34                                   
REMARK 500 12 MET F  53       36.87   -161.88                                   
REMARK 500 12 LYS F  54      -28.98    179.10                                   
REMARK 500 12 VAL F  58      118.44   -160.71                                   
REMARK 500 12 ALA F  94       -8.53     81.73                                   
REMARK 500 12 LEU F  96     -159.51    -80.52                                   
REMARK 500 12 SER F  98     -168.18    170.02                                   
REMARK 500 12 ARG F  99     -150.02    -67.63                                   
REMARK 500 12 LEU F 100     -162.19   -117.34                                   
REMARK 500 12 VAL F 101      102.66    -45.61                                   
REMARK 500 12 SER F 104      149.56     63.77                                   
REMARK 500 12 ILE P 209       12.04   -143.70                                   
REMARK 500 13 ILE F   2      -93.01    -44.34                                   
REMARK 500 13 GLN F   3      -98.64    -84.33                                   
REMARK 500 13 ALA F   4      -30.87   -174.47                                   
REMARK 500 13 GLU F   5      -22.86    163.36                                   
REMARK 500 13 LYS F  11       72.23   -112.05                                   
REMARK 500 13 GLN F  20      -70.95    -79.63                                   
REMARK 500 13 SER F  23       36.48    -89.66                                   
REMARK 500 13 PHE F  24     -153.05   -119.23                                   
REMARK 500 13 ARG F  28      171.39    -45.50                                   
REMARK 500 13 ARG F  34      157.72    177.10                                   
REMARK 500 13 ALA F  42     -159.93    -86.70                                   
REMARK 500 13 ASP F  52       36.50    -87.28                                   
REMARK 500 13 MET F  53       13.11   -143.29                                   
REMARK 500 13 LYS F  54      -27.73   -171.38                                   
REMARK 500 13 VAL F  58      117.90   -160.11                                   
REMARK 500 13 ALA F  77      126.65   -174.44                                   
REMARK 500 13 ALA F  94       14.42     83.16                                   
REMARK 500 13 LEU F 100     -163.24     34.62                                   
REMARK 500 13 ILE P 209       14.79   -145.63                                   
REMARK 500 14 ILE F   2     -163.12    -56.60                                   
REMARK 500 14 ALA F   4       27.15     44.68                                   
REMARK 500 14 GLU F   5      -91.57    -78.50                                   
REMARK 500 14 LYS F  11       70.34   -108.09                                   
REMARK 500 14 LEU F  12     -159.72    -97.22                                   
REMARK 500 14 LEU F  21      -72.47    -51.04                                   
REMARK 500 14 LEU F  22      -76.87    -42.84                                   
REMARK 500 14 SER F  23       92.60    -52.38                                   
REMARK 500 14 PHE F  24     -102.46     64.17                                   
REMARK 500 14 ASN F  26      161.26     76.47                                   
REMARK 500 14 ARG F  28      152.86    -42.72                                   
REMARK 500 14 ARG F  34      154.83    177.61                                   
REMARK 500 14 LYS F  40      -30.79    -38.66                                   
REMARK 500 14 ALA F  42     -158.68    -78.97                                   
REMARK 500 14 TYR F  43     -166.88   -115.01                                   
REMARK 500 14 ASP F  52       37.37    -87.27                                   
REMARK 500 14 MET F  53       12.13   -142.98                                   
REMARK 500 14 LYS F  54      -28.88   -169.77                                   
REMARK 500 14 ALA F  94      -19.27     88.01                                   
REMARK 500 14 SER F  98       80.83   -171.67                                   
REMARK 500 14 ARG F  99     -120.45    -57.44                                   
REMARK 500 14 PRO F 103      -71.92    -78.97                                   
REMARK 500 14 SER F 104       71.98     75.14                                   
REMARK 500 14 ILE P 209       32.62    178.91                                   
REMARK 500 15 ILE F   2      173.98    -48.51                                   
REMARK 500 15 GLU F   5     -174.97    168.76                                   
REMARK 500 15 TRP F   7      -18.20    169.46                                   
REMARK 500 15 LYS F  11       74.56   -114.50                                   
REMARK 500 15 SER F  23       51.97   -105.73                                   
REMARK 500 15 PHE F  24      -38.75   -158.17                                   
REMARK 500 15 ASP F  49       86.97   -159.81                                   
REMARK 500 15 ASP F  52       43.59    -85.07                                   
REMARK 500 15 MET F  53       20.37   -161.52                                   
REMARK 500 15 LYS F  54      -29.51   -174.50                                   
REMARK 500 15 HIS F  57     -169.88   -166.80                                   
REMARK 500 15 ALA F  77      112.07   -164.62                                   
REMARK 500 15 ALA F  94      -11.28     94.37                                   
REMARK 500 15 ARG F  99     -164.89    -70.54                                   
REMARK 500 15 LEU F 100     -157.12    -73.01                                   
REMARK 500 15 SER F 104      179.16     57.36                                   
REMARK 500 15 ILE P 207      102.12    -42.00                                   
REMARK 500 15 ILE P 209      -31.99    178.89                                   
REMARK 500 15 TYR P 210     -170.87    -53.93                                   
REMARK 500 16 ILE F   2      179.43    -49.68                                   
REMARK 500 16 GLU F   5     -175.59    174.32                                   
REMARK 500 16 TRP F   7        4.62    162.28                                   
REMARK 500 16 LYS F  11       70.41   -104.55                                   
REMARK 500 16 PHE F  24      -74.25   -165.09                                   
REMARK 500 16 ARG F  28      166.50    -43.43                                   
REMARK 500 16 ASP F  52       39.50    -84.22                                   
REMARK 500 16 MET F  53       31.84   -161.41                                   
REMARK 500 16 LYS F  54      -27.47    177.00                                   
REMARK 500 16 TYR F  72      143.04    173.91                                   
REMARK 500 16 THR F  75        4.62    -69.08                                   
REMARK 500 16 ALA F  94      -16.17     95.29                                   
REMARK 500 16 ARG F  99     -138.13    -77.68                                   
REMARK 500 16 LEU F 100     -153.15    -68.30                                   
REMARK 500 16 VAL F 101     -163.80    -62.75                                   
REMARK 500 16 ILE P 209       11.85   -143.45                                   
REMARK 500 17 GLU F   5      -38.82    172.26                                   
REMARK 500 17 GLU F   6      -69.21   -103.67                                   
REMARK 500 17 LYS F  11       71.72   -112.59                                   
REMARK 500 17 PRO F  27     -165.76    -78.20                                   
REMARK 500 17 ARG F  34      141.73    179.77                                   
REMARK 500 17 LYS F  40      -31.38    -37.85                                   
REMARK 500 17 ALA F  42     -156.63    -78.61                                   
REMARK 500 17 ASP F  52       47.23    -87.23                                   
REMARK 500 17 MET F  53       20.79   -161.41                                   
REMARK 500 17 LYS F  54      -28.92   -176.37                                   
REMARK 500 17 LYS F  62      107.69    -52.17                                   
REMARK 500 17 ALA F  94      -30.05     87.97                                   
REMARK 500 17 LEU F  96     -114.91    -87.60                                   
REMARK 500 17 SER F  98      127.43     85.30                                   
REMARK 500 17 ARG F  99      100.92     63.51                                   
REMARK 500 17 LEU F 100     -145.28    -73.81                                   
REMARK 500 17 VAL F 101       92.44    -50.12                                   
REMARK 500 17 PRO F 103     -161.99    -79.39                                   
REMARK 500 17 ILE P 209       15.39   -147.93                                   
REMARK 500 18 ILE F   2       96.93    -43.71                                   
REMARK 500 18 ALA F   4       70.53     43.09                                   
REMARK 500 18 GLU F   5      -43.55   -164.60                                   
REMARK 500 18 LEU F  12     -169.39   -108.99                                   
REMARK 500 18 SER F  23      -77.71    -47.70                                   
REMARK 500 18 PHE F  24      127.31   -177.32                                   
REMARK 500 18 PRO F  27     -159.58    -78.08                                   
REMARK 500 18 ARG F  34      147.73    176.23                                   
REMARK 500 18 ALA F  42     -159.80    -88.15                                   
REMARK 500 18 ASP F  52       49.16    -85.21                                   
REMARK 500 18 MET F  53      -29.12   -161.41                                   
REMARK 500 18 ALA F  94      -17.03     96.37                                   
REMARK 500 18 LEU F 100     -175.70    -48.64                                   
REMARK 500 18 ILE P 209      -39.48   -152.46                                   
REMARK 500 18 TYR P 210     -170.44    -69.62                                   
REMARK 500 19 ILE F   2     -170.12    -53.67                                   
REMARK 500 19 ALA F   4       90.44    -68.15                                   
REMARK 500 19 GLU F   5      -32.97   -164.31                                   
REMARK 500 19 GLU F   6      -41.39   -135.87                                   
REMARK 500 19 LYS F  11       69.68   -107.24                                   
REMARK 500 19 SER F  23       44.40    -89.91                                   
REMARK 500 19 PHE F  24      -80.05   -130.48                                   
REMARK 500 19 PRO F  27     -163.80    -78.72                                   
REMARK 500 19 ARG F  34      141.13    177.53                                   
REMARK 500 19 ALA F  42     -154.09    -82.51                                   
REMARK 500 19 ASP F  52       40.67    -87.42                                   
REMARK 500 19 MET F  53       11.84   -145.42                                   
REMARK 500 19 LYS F  54      -27.71   -174.83                                   
REMARK 500 19 TYR F  72      121.52   -179.66                                   
REMARK 500 19 ALA F  94      -13.27     84.26                                   
REMARK 500 19 LEU F  96     -160.84   -107.41                                   
REMARK 500 19 ARG F  99       99.41    -50.58                                   
REMARK 500 19 LEU F 100     -160.08     36.28                                   
REMARK 500 19 PRO F 103      -79.54    -77.80                                   
REMARK 500 19 SER F 104       41.48    176.81                                   
REMARK 500 19 PRO P 208     -170.00    -78.52                                   
REMARK 500 19 ILE P 209       30.36   -174.25                                   
REMARK 500 20 ILE F   2      -76.83    -56.55                                   
REMARK 500 20 GLN F   3      -83.25    -90.39                                   
REMARK 500 20 ALA F   4      -74.87   -163.46                                   
REMARK 500 20 GLU F   5       30.55   -173.39                                   
REMARK 500 20 LYS F  11       72.29   -108.80                                   
REMARK 500 20 ARG F  19      -76.91    -71.93                                   
REMARK 500 20 ARG F  28      170.64    -45.36                                   
REMARK 500 20 ARG F  34      150.78    179.43                                   
REMARK 500 20 ASP F  52       44.80    -86.93                                   
REMARK 500 20 MET F  53       22.37   -161.11                                   
REMARK 500 20 LYS F  54      -28.89   -176.38                                   
REMARK 500 20 GLU F  80      -36.12    -30.00                                   
REMARK 500 20 ALA F  94      -20.04     88.42                                   
REMARK 500 20 LEU F  96     -158.78   -101.14                                   
REMARK 500 20 LEU F 100     -179.65    -46.50                                   
REMARK 500 20 VAL F 101      123.08    -23.24                                   
REMARK 500 20 VAL F 102       43.16   -141.81                                   
REMARK 500 20 SER F 104       41.65    161.56                                   
REMARK 500 20 HIS F 105      -93.17    -46.50                                   
REMARK 500 20 ILE P 209      -33.43   -177.54                                   
REMARK 500 20 TYR P 210     -179.34    -52.57                                   
REMARK 500 21 ALA F   4       97.17    -56.57                                   
REMARK 500 21 GLU F   5      -16.21    161.75                                   
REMARK 500 21 GLU F   6      -66.44   -124.70                                   
REMARK 500 21 LYS F  11       73.57   -113.77                                   
REMARK 500 21 PRO F  27     -164.19    -77.98                                   
REMARK 500 21 ARG F  28      168.27    -44.62                                   
REMARK 500 21 THR F  30       70.72   -100.32                                   
REMARK 500 21 PHE F  31     -179.13    -64.37                                   
REMARK 500 21 ARG F  34      150.55    173.97                                   
REMARK 500 21 ALA F  42     -159.33    -87.54                                   
REMARK 500 21 ASP F  52       41.34    -86.63                                   
REMARK 500 21 MET F  53       12.95   -145.34                                   
REMARK 500 21 LYS F  54      -27.52   -177.27                                   
REMARK 500 21 ALA F  77      119.80   -170.15                                   
REMARK 500 21 ALA F  94      -24.69     97.13                                   
REMARK 500 21 LEU F  96     -162.02    -79.07                                   
REMARK 500 21 ARG F  99     -137.87    -61.51                                   
REMARK 500 21 LEU F 100     -165.52   -113.98                                   
REMARK 500 21 VAL F 101      103.98    -38.51                                   
REMARK 500 21 ILE P 209       24.79   -161.98                                   
REMARK 500 22 ALA F   4       94.35     42.17                                   
REMARK 500 22 GLU F   5      -26.29    166.85                                   
REMARK 500 22 GLU F   6      -37.31   -133.82                                   
REMARK 500 22 LYS F  11       74.37   -115.98                                   
REMARK 500 22 ARG F  28     -175.53    -55.66                                   
REMARK 500 22 THR F  30       78.21   -100.30                                   
REMARK 500 22 LEU F  32      163.40    178.75                                   
REMARK 500 22 ARG F  34      146.27    173.32                                   
REMARK 500 22 ALA F  42     -159.63    -86.76                                   
REMARK 500 22 ASP F  52       36.34    -84.47                                   
REMARK 500 22 MET F  53       35.17   -161.85                                   
REMARK 500 22 LYS F  54      -29.78    179.02                                   
REMARK 500 22 GLU F  80      -37.84    -28.42                                   
REMARK 500 22 ALA F  94       -7.84     96.27                                   
REMARK 500 22 ARG F  99     -165.24    -54.80                                   
REMARK 500 22 LEU F 100     -153.11    -61.16                                   
REMARK 500 22 HIS F 105     -171.97    -53.56                                   
REMARK 500 22 ILE P 209       30.81   -175.79                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG F  14         0.10    SIDE_CHAIN                              
REMARK 500  1 ARG F  19         0.27    SIDE_CHAIN                              
REMARK 500  1 ARG F  28         0.25    SIDE_CHAIN                              
REMARK 500  1 ARG F  34         0.19    SIDE_CHAIN                              
REMARK 500  1 ARG F  48         0.32    SIDE_CHAIN                              
REMARK 500  1 ARG F  64         0.15    SIDE_CHAIN                              
REMARK 500  1 ARG F  76         0.22    SIDE_CHAIN                              
REMARK 500  1 ARG F  92         0.15    SIDE_CHAIN                              
REMARK 500  1 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500  2 ARG F  14         0.25    SIDE_CHAIN                              
REMARK 500  2 ARG F  19         0.28    SIDE_CHAIN                              
REMARK 500  2 ARG F  28         0.13    SIDE_CHAIN                              
REMARK 500  2 ARG F  48         0.14    SIDE_CHAIN                              
REMARK 500  2 ARG F  64         0.17    SIDE_CHAIN                              
REMARK 500  2 ARG F  76         0.30    SIDE_CHAIN                              
REMARK 500  2 ARG F  92         0.26    SIDE_CHAIN                              
REMARK 500  2 ARG F  99         0.22    SIDE_CHAIN                              
REMARK 500  3 ARG F  14         0.25    SIDE_CHAIN                              
REMARK 500  3 ARG F  19         0.21    SIDE_CHAIN                              
REMARK 500  3 ARG F  28         0.31    SIDE_CHAIN                              
REMARK 500  3 ARG F  34         0.08    SIDE_CHAIN                              
REMARK 500  3 ARG F  48         0.08    SIDE_CHAIN                              
REMARK 500  3 ARG F  64         0.12    SIDE_CHAIN                              
REMARK 500  3 ARG F  76         0.28    SIDE_CHAIN                              
REMARK 500  3 ARG F  92         0.24    SIDE_CHAIN                              
REMARK 500  3 ARG F  99         0.22    SIDE_CHAIN                              
REMARK 500  4 ARG F  14         0.32    SIDE_CHAIN                              
REMARK 500  4 ARG F  19         0.32    SIDE_CHAIN                              
REMARK 500  4 ARG F  28         0.21    SIDE_CHAIN                              
REMARK 500  4 ARG F  34         0.20    SIDE_CHAIN                              
REMARK 500  4 ARG F  48         0.25    SIDE_CHAIN                              
REMARK 500  4 ARG F  64         0.11    SIDE_CHAIN                              
REMARK 500  4 ARG F  76         0.22    SIDE_CHAIN                              
REMARK 500  4 ARG F  92         0.17    SIDE_CHAIN                              
REMARK 500  4 ARG F  99         0.32    SIDE_CHAIN                              
REMARK 500  5 ARG F  14         0.08    SIDE_CHAIN                              
REMARK 500  5 ARG F  19         0.14    SIDE_CHAIN                              
REMARK 500  5 ARG F  28         0.30    SIDE_CHAIN                              
REMARK 500  5 ARG F  34         0.25    SIDE_CHAIN                              
REMARK 500  5 ARG F  48         0.16    SIDE_CHAIN                              
REMARK 500  5 ARG F  64         0.31    SIDE_CHAIN                              
REMARK 500  5 ARG F  76         0.23    SIDE_CHAIN                              
REMARK 500  5 ARG F  92         0.31    SIDE_CHAIN                              
REMARK 500  5 ARG F  99         0.17    SIDE_CHAIN                              
REMARK 500  6 ARG F  14         0.17    SIDE_CHAIN                              
REMARK 500  6 ARG F  19         0.31    SIDE_CHAIN                              
REMARK 500  6 ARG F  28         0.31    SIDE_CHAIN                              
REMARK 500  6 ARG F  34         0.16    SIDE_CHAIN                              
REMARK 500  6 ARG F  48         0.23    SIDE_CHAIN                              
REMARK 500  6 ARG F  64         0.16    SIDE_CHAIN                              
REMARK 500  6 ARG F  76         0.31    SIDE_CHAIN                              
REMARK 500  6 ARG F  92         0.30    SIDE_CHAIN                              
REMARK 500  6 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500  7 ARG F  14         0.22    SIDE_CHAIN                              
REMARK 500  7 ARG F  19         0.32    SIDE_CHAIN                              
REMARK 500  7 ARG F  28         0.28    SIDE_CHAIN                              
REMARK 500  7 ARG F  34         0.15    SIDE_CHAIN                              
REMARK 500  7 ARG F  48         0.23    SIDE_CHAIN                              
REMARK 500  7 ARG F  64         0.20    SIDE_CHAIN                              
REMARK 500  7 ARG F  76         0.15    SIDE_CHAIN                              
REMARK 500  7 ARG F  92         0.20    SIDE_CHAIN                              
REMARK 500  7 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500  8 ARG F  14         0.26    SIDE_CHAIN                              
REMARK 500  8 ARG F  19         0.15    SIDE_CHAIN                              
REMARK 500  8 ARG F  28         0.27    SIDE_CHAIN                              
REMARK 500  8 ARG F  34         0.31    SIDE_CHAIN                              
REMARK 500  8 ARG F  48         0.32    SIDE_CHAIN                              
REMARK 500  8 ARG F  64         0.30    SIDE_CHAIN                              
REMARK 500  8 ARG F  76         0.32    SIDE_CHAIN                              
REMARK 500  8 ARG F  92         0.29    SIDE_CHAIN                              
REMARK 500  8 ARG F  99         0.20    SIDE_CHAIN                              
REMARK 500  9 ARG F  14         0.14    SIDE_CHAIN                              
REMARK 500  9 ARG F  19         0.28    SIDE_CHAIN                              
REMARK 500  9 ARG F  28         0.29    SIDE_CHAIN                              
REMARK 500  9 ARG F  34         0.15    SIDE_CHAIN                              
REMARK 500  9 ARG F  48         0.28    SIDE_CHAIN                              
REMARK 500  9 ARG F  64         0.21    SIDE_CHAIN                              
REMARK 500  9 ARG F  76         0.29    SIDE_CHAIN                              
REMARK 500  9 ARG F  92         0.28    SIDE_CHAIN                              
REMARK 500  9 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500 10 ARG F  19         0.12    SIDE_CHAIN                              
REMARK 500 10 ARG F  28         0.25    SIDE_CHAIN                              
REMARK 500 10 ARG F  34         0.09    SIDE_CHAIN                              
REMARK 500 10 ARG F  48         0.23    SIDE_CHAIN                              
REMARK 500 10 ARG F  64         0.30    SIDE_CHAIN                              
REMARK 500 10 ARG F  92         0.28    SIDE_CHAIN                              
REMARK 500 10 ARG F  99         0.19    SIDE_CHAIN                              
REMARK 500 11 ARG F  14         0.29    SIDE_CHAIN                              
REMARK 500 11 ARG F  19         0.21    SIDE_CHAIN                              
REMARK 500 11 ARG F  28         0.09    SIDE_CHAIN                              
REMARK 500 11 ARG F  34         0.31    SIDE_CHAIN                              
REMARK 500 11 ARG F  48         0.10    SIDE_CHAIN                              
REMARK 500 11 ARG F  64         0.10    SIDE_CHAIN                              
REMARK 500 11 ARG F  76         0.21    SIDE_CHAIN                              
REMARK 500 11 ARG F  92         0.29    SIDE_CHAIN                              
REMARK 500 11 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500 12 ARG F  14         0.28    SIDE_CHAIN                              
REMARK 500 12 ARG F  19         0.18    SIDE_CHAIN                              
REMARK 500 12 ARG F  28         0.30    SIDE_CHAIN                              
REMARK 500 12 ARG F  48         0.12    SIDE_CHAIN                              
REMARK 500 12 ARG F  64         0.20    SIDE_CHAIN                              
REMARK 500 12 ARG F  76         0.32    SIDE_CHAIN                              
REMARK 500 12 ARG F  92         0.30    SIDE_CHAIN                              
REMARK 500 12 ARG F  99         0.20    SIDE_CHAIN                              
REMARK 500 13 ARG F  14         0.24    SIDE_CHAIN                              
REMARK 500 13 ARG F  19         0.27    SIDE_CHAIN                              
REMARK 500 13 ARG F  28         0.30    SIDE_CHAIN                              
REMARK 500 13 ARG F  34         0.23    SIDE_CHAIN                              
REMARK 500 13 ARG F  48         0.14    SIDE_CHAIN                              
REMARK 500 13 ARG F  64         0.32    SIDE_CHAIN                              
REMARK 500 13 ARG F  76         0.29    SIDE_CHAIN                              
REMARK 500 13 ARG F  92         0.23    SIDE_CHAIN                              
REMARK 500 13 ARG F  99         0.27    SIDE_CHAIN                              
REMARK 500 14 ARG F  14         0.14    SIDE_CHAIN                              
REMARK 500 14 ARG F  19         0.32    SIDE_CHAIN                              
REMARK 500 14 ARG F  28         0.29    SIDE_CHAIN                              
REMARK 500 14 ARG F  34         0.21    SIDE_CHAIN                              
REMARK 500 14 ARG F  64         0.32    SIDE_CHAIN                              
REMARK 500 14 ARG F  76         0.31    SIDE_CHAIN                              
REMARK 500 14 ARG F  92         0.31    SIDE_CHAIN                              
REMARK 500 14 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500 15 ARG F  14         0.32    SIDE_CHAIN                              
REMARK 500 15 ARG F  19         0.31    SIDE_CHAIN                              
REMARK 500 15 ARG F  28         0.22    SIDE_CHAIN                              
REMARK 500 15 ARG F  34         0.28    SIDE_CHAIN                              
REMARK 500 15 ARG F  48         0.08    SIDE_CHAIN                              
REMARK 500 15 ARG F  64         0.27    SIDE_CHAIN                              
REMARK 500 15 ARG F  76         0.32    SIDE_CHAIN                              
REMARK 500 15 ARG F  92         0.31    SIDE_CHAIN                              
REMARK 500 15 ARG F  99         0.32    SIDE_CHAIN                              
REMARK 500 16 ARG F  14         0.29    SIDE_CHAIN                              
REMARK 500 16 ARG F  28         0.10    SIDE_CHAIN                              
REMARK 500 16 ARG F  34         0.13    SIDE_CHAIN                              
REMARK 500 16 ARG F  48         0.12    SIDE_CHAIN                              
REMARK 500 16 ARG F  64         0.29    SIDE_CHAIN                              
REMARK 500 16 ARG F  76         0.19    SIDE_CHAIN                              
REMARK 500 16 ARG F  92         0.11    SIDE_CHAIN                              
REMARK 500 16 ARG F  99         0.25    SIDE_CHAIN                              
REMARK 500 17 ARG F  14         0.11    SIDE_CHAIN                              
REMARK 500 17 ARG F  19         0.13    SIDE_CHAIN                              
REMARK 500 17 ARG F  28         0.32    SIDE_CHAIN                              
REMARK 500 17 ARG F  48         0.31    SIDE_CHAIN                              
REMARK 500 17 ARG F  64         0.26    SIDE_CHAIN                              
REMARK 500 17 ARG F  76         0.30    SIDE_CHAIN                              
REMARK 500 17 ARG F  92         0.28    SIDE_CHAIN                              
REMARK 500 17 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500 18 ARG F  14         0.26    SIDE_CHAIN                              
REMARK 500 18 ARG F  19         0.16    SIDE_CHAIN                              
REMARK 500 18 ARG F  28         0.15    SIDE_CHAIN                              
REMARK 500 18 ARG F  34         0.19    SIDE_CHAIN                              
REMARK 500 18 ARG F  64         0.22    SIDE_CHAIN                              
REMARK 500 18 ARG F  76         0.18    SIDE_CHAIN                              
REMARK 500 18 ARG F  92         0.21    SIDE_CHAIN                              
REMARK 500 18 ARG F  99         0.32    SIDE_CHAIN                              
REMARK 500 19 ARG F  14         0.28    SIDE_CHAIN                              
REMARK 500 19 ARG F  19         0.19    SIDE_CHAIN                              
REMARK 500 19 ARG F  28         0.22    SIDE_CHAIN                              
REMARK 500 19 ARG F  34         0.17    SIDE_CHAIN                              
REMARK 500 19 ARG F  48         0.24    SIDE_CHAIN                              
REMARK 500 19 ARG F  64         0.16    SIDE_CHAIN                              
REMARK 500 19 ARG F  76         0.30    SIDE_CHAIN                              
REMARK 500 19 ARG F  92         0.30    SIDE_CHAIN                              
REMARK 500 19 ARG F  99         0.16    SIDE_CHAIN                              
REMARK 500 20 ARG F  14         0.30    SIDE_CHAIN                              
REMARK 500 20 ARG F  19         0.23    SIDE_CHAIN                              
REMARK 500 20 ARG F  28         0.29    SIDE_CHAIN                              
REMARK 500 20 ARG F  34         0.28    SIDE_CHAIN                              
REMARK 500 20 ARG F  64         0.15    SIDE_CHAIN                              
REMARK 500 20 ARG F  76         0.20    SIDE_CHAIN                              
REMARK 500 20 ARG F  92         0.28    SIDE_CHAIN                              
REMARK 500 20 ARG F  99         0.11    SIDE_CHAIN                              
REMARK 500 21 ARG F  14         0.26    SIDE_CHAIN                              
REMARK 500 21 ARG F  19         0.22    SIDE_CHAIN                              
REMARK 500 21 ARG F  28         0.31    SIDE_CHAIN                              
REMARK 500 21 ARG F  34         0.14    SIDE_CHAIN                              
REMARK 500 21 ARG F  48         0.32    SIDE_CHAIN                              
REMARK 500 21 ARG F  76         0.31    SIDE_CHAIN                              
REMARK 500 21 ARG F  92         0.14    SIDE_CHAIN                              
REMARK 500 21 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500 22 ARG F  14         0.22    SIDE_CHAIN                              
REMARK 500 22 ARG F  19         0.32    SIDE_CHAIN                              
REMARK 500 22 ARG F  28         0.32    SIDE_CHAIN                              
REMARK 500 22 ARG F  34         0.12    SIDE_CHAIN                              
REMARK 500 22 ARG F  48         0.31    SIDE_CHAIN                              
REMARK 500 22 ARG F  64         0.30    SIDE_CHAIN                              
REMARK 500 22 ARG F  76         0.31    SIDE_CHAIN                              
REMARK 500 22 ARG F  92         0.31    SIDE_CHAIN                              
REMARK 500 22 ARG F  99         0.31    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: PTR                                                 
REMARK 800 EVIDENCE_CODE: UNKNOWN                                               
REMARK 800 SITE_DESCRIPTION: PHOSPHOTYROSINE BINDING SITE.                      
REMARK 800 SITE_IDENTIFIER: 3IB                                                 
REMARK 800 EVIDENCE_CODE: UNKNOWN                                               
REMARK 800 SITE_DESCRIPTION: +3 ILE BINDING SITE.                               
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1AOT   RELATED DB: PDB                                   
DBREF  1AOU F    1   106  UNP    P06241   FYN_HUMAN      142    247             
DBREF  1AOU P  201   211  UNP    P03079   TAMI_POVHA     321    331             
SEQADV 1AOU SER F   97  UNP  P06241    CYS   238 ENGINEERED                     
SEQADV 1AOU SER F   98  UNP  P06241    CYS   239 ENGINEERED                     
SEQADV 1AOU SER F  104  UNP  P06241    CYS   245 ENGINEERED                     
SEQRES   1 F  106  SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS LEU GLY          
SEQRES   2 F  106  ARG LYS ASP ALA GLU ARG GLN LEU LEU SER PHE GLY ASN          
SEQRES   3 F  106  PRO ARG GLY THR PHE LEU ILE ARG GLU SER GLU THR THR          
SEQRES   4 F  106  LYS GLY ALA TYR SER LEU SER ILE ARG ASP TRP ASP ASP          
SEQRES   5 F  106  MET LYS GLY ASP HIS VAL LYS HIS TYR LYS ILE ARG LYS          
SEQRES   6 F  106  LEU ASP ASN GLY GLY TYR TYR ILE THR THR ARG ALA GLN          
SEQRES   7 F  106  PHE GLU THR LEU GLN GLN LEU VAL GLN HIS TYR SER GLU          
SEQRES   8 F  106  ARG ALA ALA GLY LEU SER SER ARG LEU VAL VAL PRO SER          
SEQRES   9 F  106  HIS LYS                                                      
SEQRES   1 P   11  GLU PRO GLN PTR GLU GLU ILE PRO ILE TYR LEU                  
MODRES 1AOU PTR P  204  TYR  O-PHOSPHOTYROSINE                                  
HET    PTR  P 204      23                                                       
HETNAM     PTR O-PHOSPHOTYROSINE                                                
HETSYN     PTR PHOSPHONOTYROSINE                                                
FORMUL   2  PTR    C9 H12 N O6 P                                                
HELIX    1   1 ARG F   14  SER F   23  1                                  10    
HELIX    2   2 LEU F   82  GLU F   91  1                                  10    
SHEET    1   A 2 SER F  46  ARG F  48  0                                        
SHEET    2   A 2 VAL F  58  HIS F  60 -1  N  LYS F  59   O  ILE F  47           
SHEET    1   B 2 TYR F  71  THR F  74  0                                        
SHEET    2   B 2 ALA F  77  PHE F  79 -1  N  PHE F  79   O  TYR F  71           
LINK         N   PTR P 204                 C   GLN P 203     1555   1555  1.30  
LINK         C   PTR P 204                 N   GLU P 205     1555   1555  1.31  
SITE     1 PTR  7 ARG F  34  SER F  36  THR F  38  SER F  44                    
SITE     2 PTR  7 HIS F  60  TYR F  61  LYS F  62                               
SITE     1 3IB  5 TYR F  61  ILE F  73  THR F  74  GLY F  95                    
SITE     2 3IB  5 LEU F  96                                                     
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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