HEADER    CELL ADHESION, SPLICING                 22-AUG-07   XXXX              
TITLE     CRYSTAL STRUCTURE OF RAT NEUREXIN 1BETA IN THE CA2+ CONTAINING FORM   
COMPND    Neurexin-1-beta                                                       
KEYWDS    BETA-SANDWICH, CELL ADHESION, SPLICING                                
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    G.RUDENKO                                                             
JRNL        AUTH   K.C.SHEN, D.A.KUCZYNSKA, I.J.WU, B.H.MURRAY, L.R.SHECKLER,   
JRNL        AUTH 2 G.RUDENKO                                                    
JRNL        TITL   REGULATION OF NEUREXIN 1BETA TERTIARY STRUCTURE AND LIGAND   
JRNL        TITL 2 BINDING THROUGH ALTERNATIVE SPLICING                         
JRNL        REF    STRUCTURE                     V.  16   422 2008              
JRNL        REFN   ASTM STRUE6  UK ISSN 0969-2126                               
JRNL        PMID   18334217                                                     
JRNL        DOI    10.1016/J.STR.2008.01.005                                    
SEQRES   1 A  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 A  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 A  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 A  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 A  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 A  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 A  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 A  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 A  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 A  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 A  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 A  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 A  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 A  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 A  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 A  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 A  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 A  226  GLU SER THR ALA THR                                          
SEQRES   1 B  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 B  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 B  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 B  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 B  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 B  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 B  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 B  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 B  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 B  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 B  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 B  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 B  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 B  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 B  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 B  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 B  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 B  226  GLU SER THR ALA THR                                          
SEQRES   1 C  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 C  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 C  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 C  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 C  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 C  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 C  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 C  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 C  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 C  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 C  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 C  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 C  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 C  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 C  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 C  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 C  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 C  226  GLU SER THR ALA THR                                          
SEQRES   1 D  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 D  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 D  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 D  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 D  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 D  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 D  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 D  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 D  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 D  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 D  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 D  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 D  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 D  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 D  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 D  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 D  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 D  226  GLU SER THR ALA THR                                          
SEQRES   1 E  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 E  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 E  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 E  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 E  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 E  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 E  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 E  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 E  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 E  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 E  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 E  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 E  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 E  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 E  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 E  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 E  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 E  226  GLU SER THR ALA THR                                          
SEQRES   1 F  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 F  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 F  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 F  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 F  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 F  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 F  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 F  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 F  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 F  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 F  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 F  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 F  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 F  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 F  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 F  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 F  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 F  226  GLU SER THR ALA THR                                          
SEQRES   1 G  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 G  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 G  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 G  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 G  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 G  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 G  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 G  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 G  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 G  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 G  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 G  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 G  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 G  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 G  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 G  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 G  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 G  226  GLU SER THR ALA THR                                          
SEQRES   1 H  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 H  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 H  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 H  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 H  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 H  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 H  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 H  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 H  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 H  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 H  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 H  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 H  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 H  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 H  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 H  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 H  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 H  226  GLU SER THR ALA THR                                          
SEQRES   1 I  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 I  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 I  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 I  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 I  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 I  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 I  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 I  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 I  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 I  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 I  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 I  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 I  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 I  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 I  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 I  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 I  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 I  226  GLU SER THR ALA THR                                          
SEQRES   1 W  226  GLY SER SER LEU GLY ALA HIS HIS ILE HIS HIS PHE HIS          
SEQRES   2 W  226  GLY SER SER LYS HIS HIS SER VAL PRO ILE ALA ILE TYR          
SEQRES   3 W  226  ARG SER PRO ALA SER LEU ARG GLY GLY HIS ALA GLY THR          
SEQRES   4 W  226  THR TYR ILE PHE SER LYS GLY GLY GLY GLN ILE THR TYR          
SEQRES   5 W  226  LYS TRP PRO PRO ASN ASP ARG PRO SER THR ARG ALA ASP          
SEQRES   6 W  226  ARG LEU ALA ILE GLY PHE SER THR VAL GLN LYS GLU ALA          
SEQRES   7 W  226  VAL LEU VAL ARG VAL ASP SER SER SER GLY LEU GLY ASP          
SEQRES   8 W  226  TYR LEU GLU LEU HIS ILE HIS GLN GLY LYS ILE GLY VAL          
SEQRES   9 W  226  LYS PHE ASN VAL GLY THR ASP ASP ILE ALA ILE GLU GLU          
SEQRES  10 W  226  SER ASN ALA ILE ILE ASN ASP GLY LYS TYR HIS VAL VAL          
SEQRES  11 W  226  ARG PHE THR ARG SER GLY GLY ASN ALA THR LEU GLN VAL          
SEQRES  12 W  226  ASP SER TRP PRO VAL ILE GLU ARG TYR PRO ALA GLY ARG          
SEQRES  13 W  226  GLN LEU THR ILE PHE ASN SER GLN ALA THR ILE ILE ILE          
SEQRES  14 W  226  GLY GLY LYS GLU GLN GLY GLN PRO PHE GLN GLY GLN LEU          
SEQRES  15 W  226  SER GLY LEU TYR TYR ASN GLY LEU LYS VAL LEU ASN MET          
SEQRES  16 W  226  ALA ALA GLU ASN ASP ALA ASN ILE ALA ILE VAL GLY ASN          
SEQRES  17 W  226  VAL ARG LEU VAL GLY GLU VAL PRO SER SER MET THR THR          
SEQRES  18 W  226  GLU SER THR ALA THR                                          
HETNAM      CA CALCIUM ION                                                      
FORMUL  11   CA    3(CA 2+)                                                     
FORMUL  14  HOH   *113(H2 O)                                                    
HELIX    1   1 PRO A   55  ARG A   59  5                                   5    
HELIX    2   2 LYS A  191  GLU A  198  1                                   8    
HELIX    3   3 PRO B   55  ARG B   59  5                                   5    
HELIX    4   4 LYS B  191  ALA B  197  1                                   7    
HELIX    5   5 PRO C   55  ARG C   59  5                                   5    
HELIX    6   6 LYS C  191  GLU C  198  1                                   8    
HELIX    7   7 PRO D   55  ARG D   59  5                                   5    
HELIX    8   8 GLY D  171  GLY D  175  5                                   5    
HELIX    9   9 VAL D  192  ALA D  197  1                                   6    
HELIX   10  10 LYS E  191  GLU E  198  1                                   8    
HELIX   11  11 PRO F   55  ARG F   59  5                                   5    
HELIX   12  12 LYS F  191  GLU F  198  1                                   8    
HELIX   13  13 PRO G   55  ARG G   59  5                                   5    
HELIX   14  14 LYS G  191  GLU G  198  1                                   8    
HELIX   15  15 PRO H   55  ARG H   59  5                                   5    
HELIX   16  16 LYS H  191  ASN H  199  1                                   9    
SHEET    1   A11 ASP A 112  GLU A 116  0                                        
SHEET    2   A11 LYS A 101  ASN A 107 -1  N  PHE A 106   O  ILE A 113           
SHEET    3   A11 TYR A  92  HIS A  98 -1  N  HIS A  96   O  GLY A 103           
SHEET    4   A11 ALA A  78  SER A  85 -1  N  VAL A  81   O  LEU A  95           
SHEET    5   A11 GLN A 164  ILE A 169 -1  O  ILE A 168   N  ARG A  82           
SHEET    6   A11 THR A  40  LYS A  53 -1  N  ILE A  50   O  ILE A 169           
SHEET    7   A11 GLY A 180  TYR A 187 -1  O  GLY A 180   N  PHE A  43           
SHEET    8   A11 ALA A  64  SER A  72 -1  N  GLY A  70   O  SER A 183           
SHEET    9   A11 HIS A 128  SER A 135 -1  O  PHE A 132   N  LEU A  67           
SHEET   10   A11 ASN A 138  VAL A 143 -1  O  GLN A 142   N  ARG A 131           
SHEET   11   A11 ILE A 149  ARG A 151 -1  O  ILE A 149   N  LEU A 141           
SHEET    1   B 7 ASP A 112  GLU A 116  0                                        
SHEET    2   B 7 LYS A 101  ASN A 107 -1  N  PHE A 106   O  ILE A 113           
SHEET    3   B 7 TYR A  92  HIS A  98 -1  N  HIS A  96   O  GLY A 103           
SHEET    4   B 7 ALA A  78  SER A  85 -1  N  VAL A  81   O  LEU A  95           
SHEET    5   B 7 GLN A 164  ILE A 169 -1  O  ILE A 168   N  ARG A  82           
SHEET    6   B 7 THR A  40  LYS A  53 -1  N  ILE A  50   O  ILE A 169           
SHEET    7   B 7 ILE A 203  LEU A 211 -1  O  ALA A 204   N  THR A  51           
SHEET    1   C11 ILE B 113  GLU B 116  0                                        
SHEET    2   C11 LYS B 101  ASN B 107 -1  N  VAL B 104   O  ILE B 115           
SHEET    3   C11 TYR B  92  HIS B  98 -1  N  GLU B  94   O  LYS B 105           
SHEET    4   C11 ALA B  78  SER B  85 -1  N  ALA B  78   O  ILE B  97           
SHEET    5   C11 GLN B 164  ILE B 169 -1  O  ALA B 165   N  ASP B  84           
SHEET    6   C11 THR B  40  LYS B  53 -1  N  ILE B  50   O  ILE B 169           
SHEET    7   C11 GLY B 180  TYR B 187 -1  O  GLY B 180   N  PHE B  43           
SHEET    8   C11 ALA B  64  SER B  72 -1  N  ALA B  68   O  TYR B 186           
SHEET    9   C11 HIS B 128  SER B 135 -1  O  PHE B 132   N  LEU B  67           
SHEET   10   C11 ASN B 138  VAL B 143 -1  O  GLN B 142   N  ARG B 131           
SHEET   11   C11 ILE B 149  ARG B 151 -1  O  ARG B 151   N  ALA B 139           
SHEET    1   D 7 ILE B 113  GLU B 116  0                                        
SHEET    2   D 7 LYS B 101  ASN B 107 -1  N  VAL B 104   O  ILE B 115           
SHEET    3   D 7 TYR B  92  HIS B  98 -1  N  GLU B  94   O  LYS B 105           
SHEET    4   D 7 ALA B  78  SER B  85 -1  N  ALA B  78   O  ILE B  97           
SHEET    5   D 7 GLN B 164  ILE B 169 -1  O  ALA B 165   N  ASP B  84           
SHEET    6   D 7 THR B  40  LYS B  53 -1  N  ILE B  50   O  ILE B 169           
SHEET    7   D 7 ILE B 203  VAL B 212 -1  O  VAL B 212   N  THR B  40           
SHEET    1   E11 ASP C 112  GLU C 116  0                                        
SHEET    2   E11 LYS C 101  ASN C 107 -1  N  VAL C 104   O  ILE C 115           
SHEET    3   E11 TYR C  92  HIS C  98 -1  N  HIS C  98   O  LYS C 101           
SHEET    4   E11 ALA C  78  SER C  85 -1  N  VAL C  81   O  LEU C  95           
SHEET    5   E11 GLN C 164  ILE C 169 -1  O  ILE C 168   N  ARG C  82           
SHEET    6   E11 THR C  40  LYS C  53 -1  N  ILE C  50   O  ILE C 169           
SHEET    7   E11 GLY C 180  TYR C 187 -1  O  GLY C 180   N  PHE C  43           
SHEET    8   E11 ALA C  64  SER C  72 -1  N  GLY C  70   O  SER C 183           
SHEET    9   E11 HIS C 128  SER C 135 -1  O  PHE C 132   N  LEU C  67           
SHEET   10   E11 ASN C 138  VAL C 143 -1  O  GLN C 142   N  ARG C 131           
SHEET   11   E11 ILE C 149  ARG C 151 -1  O  ILE C 149   N  LEU C 141           
SHEET    1   F 7 ASP C 112  GLU C 116  0                                        
SHEET    2   F 7 LYS C 101  ASN C 107 -1  N  VAL C 104   O  ILE C 115           
SHEET    3   F 7 TYR C  92  HIS C  98 -1  N  HIS C  98   O  LYS C 101           
SHEET    4   F 7 ALA C  78  SER C  85 -1  N  VAL C  81   O  LEU C  95           
SHEET    5   F 7 GLN C 164  ILE C 169 -1  O  ILE C 168   N  ARG C  82           
SHEET    6   F 7 THR C  40  LYS C  53 -1  N  ILE C  50   O  ILE C 169           
SHEET    7   F 7 ILE C 203  LEU C 211 -1  O  ARG C 210   N  ILE C  42           
SHEET    1   G 8 ILE D 113  GLU D 116  0                                        
SHEET    2   G 8 LYS D 101  ASN D 107 -1  N  PHE D 106   O  ILE D 113           
SHEET    3   G 8 TYR D  92  HIS D  98 -1  N  GLU D  94   O  LYS D 105           
SHEET    4   G 8 ALA D  78  SER D  85 -1  N  VAL D  83   O  LEU D  93           
SHEET    5   G 8 GLN D 164  ILE D 169 -1  O  ALA D 165   N  ASP D  84           
SHEET    6   G 8 THR D  40  LYS D  53 -1  N  ILE D  50   O  ILE D 169           
SHEET    7   G 8 GLY D 180  TYR D 187 -1  O  GLY D 180   N  PHE D  43           
SHEET    8   G 8 LEU D 190  LYS D 191 -1  O  LEU D 190   N  TYR D 187           
SHEET    1   H 7 ILE D 149  ARG D 151  0                                        
SHEET    2   H 7 ASN D 138  VAL D 143 -1  N  LEU D 141   O  ILE D 149           
SHEET    3   H 7 HIS D 128  SER D 135 -1  N  ARG D 131   O  GLN D 142           
SHEET    4   H 7 ALA D  64  SER D  72 -1  N  LEU D  67   O  PHE D 132           
SHEET    5   H 7 GLY D 180  TYR D 187 -1  O  TYR D 186   N  ALA D  68           
SHEET    6   H 7 THR D  40  LYS D  53 -1  N  PHE D  43   O  GLY D 180           
SHEET    7   H 7 ILE D 203  VAL D 212 -1  O  VAL D 212   N  THR D  40           
SHEET    1   I11 ILE E 113  GLU E 116  0                                        
SHEET    2   I11 LYS E 101  ASN E 107 -1  N  PHE E 106   O  ILE E 113           
SHEET    3   I11 TYR E  92  HIS E  98 -1  N  HIS E  98   O  LYS E 101           
SHEET    4   I11 ALA E  78  SER E  85 -1  N  ALA E  78   O  ILE E  97           
SHEET    5   I11 GLN E 164  ILE E 169 -1  O  ALA E 165   N  ASP E  84           
SHEET    6   I11 THR E  40  LYS E  53 -1  N  ILE E  50   O  ILE E 169           
SHEET    7   I11 GLY E 180  TYR E 187 -1  O  GLY E 180   N  PHE E  43           
SHEET    8   I11 ALA E  64  THR E  73 -1  N  GLY E  70   O  SER E 183           
SHEET    9   I11 HIS E 128  SER E 135 -1  O  PHE E 132   N  LEU E  67           
SHEET   10   I11 ASN E 138  VAL E 143 -1  O  GLN E 142   N  ARG E 131           
SHEET   11   I11 ILE E 149  ARG E 151 -1  O  ILE E 149   N  LEU E 141           
SHEET    1   J 7 ILE E 113  GLU E 116  0                                        
SHEET    2   J 7 LYS E 101  ASN E 107 -1  N  PHE E 106   O  ILE E 113           
SHEET    3   J 7 TYR E  92  HIS E  98 -1  N  HIS E  98   O  LYS E 101           
SHEET    4   J 7 ALA E  78  SER E  85 -1  N  ALA E  78   O  ILE E  97           
SHEET    5   J 7 GLN E 164  ILE E 169 -1  O  ALA E 165   N  ASP E  84           
SHEET    6   J 7 THR E  40  LYS E  53 -1  N  ILE E  50   O  ILE E 169           
SHEET    7   J 7 ILE E 203  LEU E 211 -1  O  ALA E 204   N  THR E  51           
SHEET    1   K11 ILE F 113  GLU F 116  0                                        
SHEET    2   K11 LYS F 101  ASN F 107 -1  N  VAL F 104   O  ILE F 115           
SHEET    3   K11 TYR F  92  HIS F  98 -1  N  HIS F  98   O  LYS F 101           
SHEET    4   K11 GLU F  77  SER F  85 -1  N  ALA F  78   O  ILE F  97           
SHEET    5   K11 GLN F 164  ILE F 169 -1  O  ALA F 165   N  ASP F  84           
SHEET    6   K11 THR F  40  LYS F  53 -1  N  ILE F  50   O  ILE F 169           
SHEET    7   K11 GLY F 180  TYR F 187 -1  O  GLY F 180   N  PHE F  43           
SHEET    8   K11 ALA F  64  SER F  72 -1  N  GLY F  70   O  SER F 183           
SHEET    9   K11 HIS F 128  SER F 135 -1  O  PHE F 132   N  LEU F  67           
SHEET   10   K11 ASN F 138  VAL F 143 -1  O  GLN F 142   N  ARG F 131           
SHEET   11   K11 ILE F 149  ARG F 151 -1  O  ARG F 151   N  ALA F 139           
SHEET    1   L 7 ILE F 113  GLU F 116  0                                        
SHEET    2   L 7 LYS F 101  ASN F 107 -1  N  VAL F 104   O  ILE F 115           
SHEET    3   L 7 TYR F  92  HIS F  98 -1  N  HIS F  98   O  LYS F 101           
SHEET    4   L 7 GLU F  77  SER F  85 -1  N  ALA F  78   O  ILE F  97           
SHEET    5   L 7 GLN F 164  ILE F 169 -1  O  ALA F 165   N  ASP F  84           
SHEET    6   L 7 THR F  40  LYS F  53 -1  N  ILE F  50   O  ILE F 169           
SHEET    7   L 7 ILE F 203  LEU F 211 -1  O  ASN F 208   N  GLY F  47           
SHEET    1   M11 ASP G 112  GLU G 116  0                                        
SHEET    2   M11 LYS G 101  ASN G 107 -1  N  PHE G 106   O  ILE G 113           
SHEET    3   M11 TYR G  92  HIS G  98 -1  N  GLU G  94   O  LYS G 105           
SHEET    4   M11 ALA G  78  SER G  85 -1  N  ALA G  78   O  ILE G  97           
SHEET    5   M11 GLN G 164  ILE G 169 -1  O  ILE G 168   N  ARG G  82           
SHEET    6   M11 THR G  40  LYS G  53 -1  N  ILE G  50   O  ILE G 169           
SHEET    7   M11 GLY G 180  TYR G 187 -1  O  GLY G 180   N  PHE G  43           
SHEET    8   M11 ALA G  64  SER G  72 -1  N  ALA G  68   O  TYR G 186           
SHEET    9   M11 HIS G 128  SER G 135 -1  O  PHE G 132   N  LEU G  67           
SHEET   10   M11 ASN G 138  VAL G 143 -1  O  ASN G 138   N  SER G 135           
SHEET   11   M11 ILE G 149  ARG G 151 -1  O  ILE G 149   N  LEU G 141           
SHEET    1   N 7 ASP G 112  GLU G 116  0                                        
SHEET    2   N 7 LYS G 101  ASN G 107 -1  N  PHE G 106   O  ILE G 113           
SHEET    3   N 7 TYR G  92  HIS G  98 -1  N  GLU G  94   O  LYS G 105           
SHEET    4   N 7 ALA G  78  SER G  85 -1  N  ALA G  78   O  ILE G  97           
SHEET    5   N 7 GLN G 164  ILE G 169 -1  O  ILE G 168   N  ARG G  82           
SHEET    6   N 7 THR G  40  LYS G  53 -1  N  ILE G  50   O  ILE G 169           
SHEET    7   N 7 ILE G 203  LEU G 211 -1  O  ASN G 208   N  GLY G  47           
SHEET    1   O11 ILE H 113  GLU H 116  0                                        
SHEET    2   O11 LYS H 101  ASN H 107 -1  N  VAL H 104   O  ILE H 115           
SHEET    3   O11 TYR H  92  HIS H  98 -1  N  GLU H  94   O  LYS H 105           
SHEET    4   O11 ALA H  78  SER H  85 -1  N  VAL H  81   O  LEU H  95           
SHEET    5   O11 GLN H 164  ILE H 169 -1  O  ILE H 168   N  ARG H  82           
SHEET    6   O11 THR H  40  LYS H  53 -1  N  ILE H  50   O  ILE H 169           
SHEET    7   O11 GLY H 180  TYR H 187 -1  O  GLY H 180   N  PHE H  43           
SHEET    8   O11 ALA H  64  SER H  72 -1  N  GLY H  70   O  SER H 183           
SHEET    9   O11 HIS H 128  SER H 135 -1  O  PHE H 132   N  LEU H  67           
SHEET   10   O11 ASN H 138  VAL H 143 -1  O  ASN H 138   N  SER H 135           
SHEET   11   O11 ILE H 149  ARG H 151 -1  O  ILE H 149   N  LEU H 141           
SHEET    1   P 7 ILE H 113  GLU H 116  0                                        
SHEET    2   P 7 LYS H 101  ASN H 107 -1  N  VAL H 104   O  ILE H 115           
SHEET    3   P 7 TYR H  92  HIS H  98 -1  N  GLU H  94   O  LYS H 105           
SHEET    4   P 7 ALA H  78  SER H  85 -1  N  VAL H  81   O  LEU H  95           
SHEET    5   P 7 GLN H 164  ILE H 169 -1  O  ILE H 168   N  ARG H  82           
SHEET    6   P 7 THR H  40  LYS H  53 -1  N  ILE H  50   O  ILE H 169           
SHEET    7   P 7 ILE H 203  ARG H 210 -1  O  ALA H 204   N  THR H  51           
SHEET    1   Q 6 THR I  40  PHE I  43  0                                        
SHEET    2   Q 6 GLY I 180  TYR I 187 -1  O  LEU I 182   N  TYR I  41           
SHEET    3   Q 6 ALA I  64  SER I  72 -1  N  GLY I  70   O  SER I 183           
SHEET    4   Q 6 HIS I 128  SER I 135 -1  O  PHE I 132   N  LEU I  67           
SHEET    5   Q 6 ASN I 138  VAL I 143 -1  O  ASN I 138   N  SER I 135           
SHEET    6   Q 6 ILE I 149  ARG I 151 -1  O  ILE I 149   N  LEU I 141           
SHEET    1   R 6 ILE I  50  LYS I  53  0                                        
SHEET    2   R 6 GLN I 164  ILE I 169 -1  O  ILE I 167   N  TYR I  52           
SHEET    3   R 6 ALA I  78  SER I  85 -1  N  ASP I  84   O  ALA I 165           
SHEET    4   R 6 TYR I  92  HIS I  98 -1  O  ILE I  97   N  ALA I  78           
SHEET    5   R 6 LYS I 101  ASN I 107 -1  O  LYS I 105   N  GLU I  94           
SHEET    6   R 6 ILE I 113  GLU I 116 -1  O  ILE I 115   N  VAL I 104           
LINK         OD2 ASP B  91                CA    CA B1000     1555   1555  2.66  
LINK         O   VAL B 108                CA    CA B1000     1555   1555  2.34  
LINK         O   ILE B 160                CA    CA B1000     1555   1555  2.25  
LINK         OD1 ASN B 162                CA    CA B1000     1555   1555  2.34  
LINK         OD2 ASP D  91                CA    CA D2000     1555   1555  2.39  
LINK         O   VAL D 108                CA    CA D2000     1555   1555  2.31  
LINK         O   ILE D 160                CA    CA D2000     1555   1555  2.43  
LINK         OD1 ASN D 162                CA    CA D2000     1555   1555  2.26  
LINK         OD2 ASP I  91                CA    CA I3000     1555   1555  2.76  
LINK         O   VAL I 108                CA    CA I3000     1555   1555  2.29  
LINK         O   ILE I 160                CA    CA I3000     1555   1555  2.38  
LINK         OD1 ASN I 162                CA    CA I3000     1555   1555  2.57  
LINK        CA    CA B1000                 O   HOH B1019     1555   1555  2.47  
LINK        CA    CA D2000                 O   HOH D2017     1555   1555  2.66  
LINK        CA    CA D2000                 O   HOH D2007     1555   1555  2.48  
SITE     1 AC1  4 ASP B  91  ILE B 160  ASN B 162  HOH B1019                    
SITE     1 AC2  5 ASP D  91  ILE D 160  ASN D 162  HOH D2007                    
SITE     2 AC2  5 HOH D2017                                                     
SITE     1 AC3  4 ASP I  91  ILE I 160  ASN I 162  HOH I 230                    
CRYST1  116.683  195.719  103.867  90.00  90.00  90.00 P 21 21 2    40          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.008570  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.005109  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009628        0.00000                         
MODEL        1                                                                  
ATOM      1  N   LEU W   4      75.892  60.754 104.793  1.00 57.61           N  
ATOM      2  CA  LEU W   4      74.918  59.962 105.622  1.00 58.46           C  
ATOM      3  C   LEU W   4      74.901  60.367 107.142  1.00 58.62           C  
ATOM      4  O   LEU W   4      75.514  61.373 107.538  1.00 57.53           O  
ATOM      5  CB  LEU W   4      75.083  58.434 105.361  1.00 58.17           C  
ATOM      6  CG  LEU W   4      73.833  57.505 105.434  1.00 60.28           C  
ATOM      7  CD1 LEU W   4      72.514  58.291 105.298  1.00 62.64           C  
ATOM      8  CD2 LEU W   4      73.843  56.356 104.412  1.00 58.73           C  
ATOM      9  N   GLY W   5      74.169  59.617 107.977  1.00 59.54           N  
ATOM     10  CA  GLY W   5      73.879  60.034 109.370  1.00 60.50           C  
ATOM     11  C   GLY W   5      72.594  60.853 109.494  1.00 61.52           C  
ATOM     12  O   GLY W   5      71.960  61.190 108.491  1.00 62.03           O  
ATOM     13  N   ALA W   6      72.189  61.180 110.716  1.00 62.33           N  
ATOM     14  CA  ALA W   6      71.007  62.038 110.936  1.00 63.18           C  
ATOM     15  C   ALA W   6      71.016  62.653 112.344  1.00 64.00           C  
ATOM     16  O   ALA W   6      71.775  62.207 113.222  1.00 63.88           O  
ATOM     17  CB  ALA W   6      69.700  61.225 110.705  1.00 63.04           C  
ATOM     18  N   HIS W   7      70.174  63.661 112.579  1.00 64.99           N  
ATOM     19  CA  HIS W   7      69.970  64.141 113.951  1.00 66.16           C  
ATOM     20  C   HIS W   7      69.350  63.033 114.798  1.00 66.76           C  
ATOM     21  O   HIS W   7      69.119  61.921 114.317  1.00 66.39           O  
ATOM     22  CB  HIS W   7      69.049  65.360 114.006  1.00 66.21           C  
ATOM     23  CG  HIS W   7      69.442  66.474 113.091  1.00 67.27           C  
ATOM     24  ND1 HIS W   7      70.365  67.432 113.442  1.00 68.26           N  
ATOM     25  CD2 HIS W   7      69.009  66.806 111.850  1.00 69.39           C  
ATOM     26  CE1 HIS W   7      70.502  68.296 112.450  1.00 69.87           C  
ATOM     27  NE2 HIS W   7      69.686  67.942 111.472  1.00 69.93           N  
ATOM     28  N   HIS W   8      69.104  63.345 116.067  1.00 68.06           N  
ATOM     29  CA  HIS W   8      68.114  62.620 116.836  1.00 69.45           C  
ATOM     30  C   HIS W   8      66.805  62.700 116.017  1.00 71.06           C  
ATOM     31  O   HIS W   8      66.086  63.723 116.013  1.00 71.42           O  
ATOM     32  CB  HIS W   8      67.960  63.205 118.245  1.00 68.74           C  
ATOM     33  CG  HIS W   8      67.031  62.426 119.124  1.00 68.47           C  
ATOM     34  ND1 HIS W   8      67.229  61.095 119.426  1.00 68.49           N  
ATOM     35  CD2 HIS W   8      65.898  62.793 119.772  1.00 69.17           C  
ATOM     36  CE1 HIS W   8      66.252  60.668 120.206  1.00 68.29           C  
ATOM     37  NE2 HIS W   8      65.434  61.681 120.437  1.00 69.23           N  
ATOM     38  N   ILE W   9      66.564  61.620 115.273  1.00 72.56           N  
ATOM     39  CA  ILE W   9      65.412  61.431 114.389  1.00 73.72           C  
ATOM     40  C   ILE W   9      64.782  60.132 114.884  1.00 74.54           C  
ATOM     41  O   ILE W   9      63.545  59.969 114.889  1.00 73.90           O  
ATOM     42  CB  ILE W   9      65.904  61.352 112.908  1.00 73.80           C  
ATOM     43  CG1 ILE W   9      65.684  62.700 112.213  1.00 73.77           C  
ATOM     44  CG2 ILE W   9      65.227  60.224 112.121  1.00 73.88           C  
ATOM     45  CD1 ILE W   9      66.723  63.030 111.125  1.00 74.13           C  
ATOM     46  N   HIS W  10      65.672  59.224 115.318  1.00 75.82           N  
ATOM     47  CA  HIS W  10      65.307  58.103 116.184  1.00 76.50           C  
ATOM     48  C   HIS W  10      64.441  57.127 115.344  1.00 76.59           C  
ATOM     49  O   HIS W  10      64.776  56.742 114.200  1.00 76.13           O  
ATOM     50  CB  HIS W  10      64.667  58.719 117.481  1.00 76.51           C  
ATOM     51  CG  HIS W  10      64.109  57.717 118.457  1.00 77.25           C  
ATOM     52  ND1 HIS W  10      62.914  57.935 119.122  1.00 77.36           N  
ATOM     53  CD2 HIS W  10      64.596  56.533 118.929  1.00 78.43           C  
ATOM     54  CE1 HIS W  10      62.670  56.916 119.938  1.00 77.64           C  
ATOM     55  NE2 HIS W  10      63.675  56.050 119.839  1.00 79.28           N  
TER      56      HIS W  10                                                      
ENDMDL                                                                          
MASTER        0    0    0   16  153    0    4    612217   10    0  180          
END                                                                             
