HEADER    SIGNALING PROTEIN                       07-JAN-99   1B5N              
TITLE     NMR STRUCTURE OF PSP1, PLASMATOCYTE-SPREADING PEPTIDE FROM            
TITLE    2 PSEUDOPLUSIA INCLUDENS                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN (PLASMATOCYTE-SPREADING PEPTIDE);                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PSP1;                                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED BY SOLID-STATE 
SOURCE   4 PEPTIDE SYNTHESIS WITH T-BOC METHOD. THE SEQUENCE OF THIS PEPTIDE IS 
SOURCE   5 NATURALLY FOUND IN THE HEMOLYMPH TISSUE OF PSEUDOPLUSIA INCLUDENS    
SOURCE   6 (SOYBEAN LOOPER MOTH).                                               
KEYWDS    INSECT CYTOKINE, PLASMATOCYTE-SPREADING, EGF-LIKE, SIGNALING PROTEIN  
EXPDTA    SOLUTION NMR                                                          
AUTHOR    B.F.VOLKMAN,K.D.CLARK,M.E.ANDERSON,L.L.PECH,J.L.MARKLEY,M.R.STRAND    
REVDAT   6   27-DEC-23 1B5N    1       REMARK                                   
REVDAT   5   16-FEB-22 1B5N    1       REMARK                                   
REVDAT   4   24-FEB-09 1B5N    1       VERSN                                    
REVDAT   3   09-JUN-00 1B5N    1       DBREF                                    
REVDAT   2   22-DEC-99 1B5N    4       HEADER COMPND REMARK JRNL                
REVDAT   2 2                   4       ATOM   SOURCE SEQRES                     
REVDAT   1   13-JAN-99 1B5N    0                                                
JRNL        AUTH   B.F.VOLKMAN,M.E.ANDERSON,K.D.CLARK,Y.HAYAKAWA,M.R.STRAND,    
JRNL        AUTH 2 J.L.MARKLEY                                                  
JRNL        TITL   STRUCTURE OF THE INSECT CYTOKINE PEPTIDE                     
JRNL        TITL 2 PLASMATOCYTE-SPREADING PEPTIDE 1 FROM PSEUDOPLUSIA           
JRNL        TITL 3 INCLUDENS.                                                   
JRNL        REF    J.BIOL.CHEM.                  V. 274  4493 1999              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   9988679                                                      
JRNL        DOI    10.1074/JBC.274.8.4493                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DYANA 1.5                                            
REMARK   3   AUTHORS     : R. GUNTERT, C. MUMENTHALER, K. WUTHRICH              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE FILES IN THE DATABASE SHOULD BE       
REMARK   3  SUFFICIENT TO RECONSTRUCT THE STRUCTURE. ALSO REFER TO THE REF.     
REMARK   3  ABOVE AND THE PSP1 PAPER.                                           
REMARK   4                                                                      
REMARK   4 1B5N COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.                               
REMARK 100 THE DEPOSITION ID IS D_1000008012.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 283                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : 50 MM PO4 BUFFER                   
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : TOCSY; NOESY                       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DMX500; DMX750                     
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : DYANA, GARANT, XEASY               
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LOWEST TARGET FUNCTION             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: MEAN STRUCTURE. BOTH: QUADRATURE IN INDIRECT DIM. WAS        
REMARK 210  OBTAINED WITH STATES- TPPI. WATER SUPPRESION WAS ACHIEVED WITH A    
REMARK 210  WATERGATE SEQ. WITH A 3-9-19 SELECTIVE INVERSION                    
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 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASN A   4       49.17   -102.09                                   
REMARK 500    ALA A   9       95.15    161.51                                   
REMARK 500    THR A  14     -164.30    -60.04                                   
REMARK 500    CYS A  19       95.07    -59.23                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1B5N A    1    23  UNP    O61704   PSP1_PSEIC     119    141             
SEQRES   1 A   23  GLU ASN PHE ASN GLY GLY CYS LEU ALA GLY TYR MET ARG          
SEQRES   2 A   23  THR ALA ASP GLY ARG CYS LYS PRO THR PHE                      
SHEET    1   A 2 MET A  12  ARG A  13  0                                        
SHEET    2   A 2 CYS A  19  LYS A  20 -1  O  LYS A  20   N  MET A  12           
SSBOND   1 CYS A    7    CYS A   19                          1555   1555  2.10  
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                         
ATOM      1  N   GLU A   1      -6.783 -12.900  -1.022  1.00  0.00           N  
ATOM      2  CA  GLU A   1      -6.493 -11.810  -1.936  1.00  0.00           C  
ATOM      3  C   GLU A   1      -5.008 -11.444  -1.872  1.00  0.00           C  
ATOM      4  O   GLU A   1      -4.563 -10.808  -0.917  1.00  0.00           O  
ATOM      5  CB  GLU A   1      -7.371 -10.593  -1.636  1.00  0.00           C  
ATOM      6  CG  GLU A   1      -8.850 -10.982  -1.593  1.00  0.00           C  
ATOM      7  CD  GLU A   1      -9.745  -9.751  -1.756  1.00  0.00           C  
ATOM      8  OE1 GLU A   1      -9.676  -8.878  -0.865  1.00  0.00           O  
ATOM      9  OE2 GLU A   1     -10.478  -9.713  -2.768  1.00  0.00           O  
ATOM     10  H   GLU A   1      -7.738 -13.197  -1.008  1.00  0.00           H  
ATOM     11  HA  GLU A   1      -6.738 -12.190  -2.928  1.00  0.00           H  
ATOM     12  HB2 GLU A   1      -7.079 -10.157  -0.680  1.00  0.00           H  
ATOM     13  HB3 GLU A   1      -7.214  -9.829  -2.397  1.00  0.00           H  
ATOM     14  HG2 GLU A   1      -9.064 -11.699  -2.386  1.00  0.00           H  
ATOM     15  HG3 GLU A   1      -9.073 -11.477  -0.648  1.00  0.00           H  
ATOM     16  N   ASN A   2      -4.284 -11.861  -2.899  1.00  0.00           N  
ATOM     17  CA  ASN A   2      -2.859 -11.584  -2.972  1.00  0.00           C  
ATOM     18  C   ASN A   2      -2.633 -10.073  -2.885  1.00  0.00           C  
ATOM     19  O   ASN A   2      -3.574  -9.293  -3.016  1.00  0.00           O  
ATOM     20  CB  ASN A   2      -2.269 -12.074  -4.296  1.00  0.00           C  
ATOM     21  CG  ASN A   2      -2.811 -13.459  -4.659  1.00  0.00           C  
ATOM     22  OD1 ASN A   2      -3.505 -13.643  -5.645  1.00  0.00           O  
ATOM     23  ND2 ASN A   2      -2.457 -14.418  -3.808  1.00  0.00           N  
ATOM     24  H   ASN A   2      -4.654 -12.378  -3.672  1.00  0.00           H  
ATOM     25  HA  ASN A   2      -2.420 -12.121  -2.132  1.00  0.00           H  
ATOM     26  HB2 ASN A   2      -2.510 -11.366  -5.090  1.00  0.00           H  
ATOM     27  HB3 ASN A   2      -1.183 -12.113  -4.222  1.00  0.00           H  
ATOM     28 HD21 ASN A   2      -1.885 -14.198  -3.017  1.00  0.00           H  
ATOM     29 HD22 ASN A   2      -2.762 -15.357  -3.960  1.00  0.00           H  
ATOM     30  N   PHE A   3      -1.379  -9.707  -2.664  1.00  0.00           N  
ATOM     31  CA  PHE A   3      -1.017  -8.304  -2.556  1.00  0.00           C  
ATOM     32  C   PHE A   3      -0.304  -7.823  -3.822  1.00  0.00           C  
ATOM     33  O   PHE A   3       0.309  -8.618  -4.533  1.00  0.00           O  
ATOM     34  CB  PHE A   3      -0.061  -8.178  -1.368  1.00  0.00           C  
ATOM     35  CG  PHE A   3       0.984  -9.292  -1.290  1.00  0.00           C  
ATOM     36  CD1 PHE A   3       0.686 -10.463  -0.665  1.00  0.00           C  
ATOM     37  CD2 PHE A   3       2.213  -9.113  -1.847  1.00  0.00           C  
ATOM     38  CE1 PHE A   3       1.656 -11.497  -0.592  1.00  0.00           C  
ATOM     39  CE2 PHE A   3       3.183 -10.148  -1.775  1.00  0.00           C  
ATOM     40  CZ  PHE A   3       2.884 -11.318  -1.148  1.00  0.00           C  
ATOM     41  H   PHE A   3      -0.619 -10.348  -2.559  1.00  0.00           H  
ATOM     42  HA  PHE A   3      -1.941  -7.740  -2.425  1.00  0.00           H  
ATOM     43  HB2 PHE A   3       0.451  -7.218  -1.427  1.00  0.00           H  
ATOM     44  HB3 PHE A   3      -0.642  -8.174  -0.446  1.00  0.00           H  
ATOM     45  HD1 PHE A   3      -0.298 -10.607  -0.219  1.00  0.00           H  
ATOM     46  HD2 PHE A   3       2.452  -8.176  -2.348  1.00  0.00           H  
ATOM     47  HE1 PHE A   3       1.417 -12.435  -0.090  1.00  0.00           H  
ATOM     48  HE2 PHE A   3       4.167 -10.004  -2.221  1.00  0.00           H  
ATOM     49  HZ  PHE A   3       3.629 -12.111  -1.093  1.00  0.00           H  
ATOM     50  N   ASN A   4      -0.409  -6.525  -4.065  1.00  0.00           N  
ATOM     51  CA  ASN A   4       0.217  -5.929  -5.233  1.00  0.00           C  
ATOM     52  C   ASN A   4       1.503  -5.215  -4.808  1.00  0.00           C  
ATOM     53  O   ASN A   4       1.725  -4.061  -5.170  1.00  0.00           O  
ATOM     54  CB  ASN A   4      -0.704  -4.896  -5.884  1.00  0.00           C  
ATOM     55  CG  ASN A   4      -1.253  -3.917  -4.843  1.00  0.00           C  
ATOM     56  OD1 ASN A   4      -0.686  -2.871  -4.577  1.00  0.00           O  
ATOM     57  ND2 ASN A   4      -2.388  -4.315  -4.274  1.00  0.00           N  
ATOM     58  H   ASN A   4      -0.910  -5.885  -3.482  1.00  0.00           H  
ATOM     59  HA  ASN A   4       0.406  -6.760  -5.912  1.00  0.00           H  
ATOM     60  HB2 ASN A   4      -0.156  -4.347  -6.651  1.00  0.00           H  
ATOM     61  HB3 ASN A   4      -1.529  -5.403  -6.384  1.00  0.00           H  
ATOM     62 HD21 ASN A   4      -2.802  -5.185  -4.539  1.00  0.00           H  
ATOM     63 HD22 ASN A   4      -2.825  -3.743  -3.581  1.00  0.00           H  
ATOM     64  N   GLY A   5       2.316  -5.932  -4.046  1.00  0.00           N  
ATOM     65  CA  GLY A   5       3.573  -5.383  -3.569  1.00  0.00           C  
ATOM     66  C   GLY A   5       3.772  -5.681  -2.081  1.00  0.00           C  
ATOM     67  O   GLY A   5       4.903  -5.828  -1.620  1.00  0.00           O  
ATOM     68  H   GLY A   5       2.127  -6.871  -3.756  1.00  0.00           H  
ATOM     69  HA2 GLY A   5       4.399  -5.804  -4.142  1.00  0.00           H  
ATOM     70  HA3 GLY A   5       3.588  -4.305  -3.732  1.00  0.00           H  
ATOM     71  N   GLY A   6       2.655  -5.763  -1.372  1.00  0.00           N  
ATOM     72  CA  GLY A   6       2.693  -6.042   0.053  1.00  0.00           C  
ATOM     73  C   GLY A   6       1.801  -5.068   0.826  1.00  0.00           C  
ATOM     74  O   GLY A   6       2.196  -4.556   1.873  1.00  0.00           O  
ATOM     75  H   GLY A   6       1.740  -5.643  -1.755  1.00  0.00           H  
ATOM     76  HA2 GLY A   6       2.365  -7.065   0.236  1.00  0.00           H  
ATOM     77  HA3 GLY A   6       3.719  -5.967   0.415  1.00  0.00           H  
ATOM     78  N   CYS A   7       0.615  -4.842   0.280  1.00  0.00           N  
ATOM     79  CA  CYS A   7      -0.337  -3.939   0.906  1.00  0.00           C  
ATOM     80  C   CYS A   7      -1.552  -4.755   1.351  1.00  0.00           C  
ATOM     81  O   CYS A   7      -1.571  -5.977   1.207  1.00  0.00           O  
ATOM     82  CB  CYS A   7      -0.729  -2.795  -0.031  1.00  0.00           C  
ATOM     83  SG  CYS A   7       0.520  -1.465  -0.184  1.00  0.00           S  
ATOM     84  H   CYS A   7       0.302  -5.263  -0.571  1.00  0.00           H  
ATOM     85  HA  CYS A   7       0.169  -3.497   1.764  1.00  0.00           H  
ATOM     86  HB2 CYS A   7      -0.926  -3.205  -1.021  1.00  0.00           H  
ATOM     87  HB3 CYS A   7      -1.663  -2.358   0.324  1.00  0.00           H  
ATOM     88  N   LEU A   8      -2.537  -4.046   1.883  1.00  0.00           N  
ATOM     89  CA  LEU A   8      -3.753  -4.690   2.349  1.00  0.00           C  
ATOM     90  C   LEU A   8      -4.745  -4.799   1.190  1.00  0.00           C  
ATOM     91  O   LEU A   8      -5.212  -5.891   0.868  1.00  0.00           O  
ATOM     92  CB  LEU A   8      -4.313  -3.956   3.569  1.00  0.00           C  
ATOM     93  CG  LEU A   8      -5.680  -4.428   4.068  1.00  0.00           C  
ATOM     94  CD1 LEU A   8      -5.720  -5.953   4.196  1.00  0.00           C  
ATOM     95  CD2 LEU A   8      -6.056  -3.734   5.379  1.00  0.00           C  
ATOM     96  H   LEU A   8      -2.513  -3.054   1.996  1.00  0.00           H  
ATOM     97  HA  LEU A   8      -3.487  -5.696   2.673  1.00  0.00           H  
ATOM     98  HB2 LEU A   8      -3.598  -4.052   4.387  1.00  0.00           H  
ATOM     99  HB3 LEU A   8      -4.383  -2.894   3.330  1.00  0.00           H  
ATOM    100  HG  LEU A   8      -6.430  -4.147   3.329  1.00  0.00           H  
ATOM    101 HD11 LEU A   8      -4.709  -6.332   4.342  1.00  0.00           H  
ATOM    102 HD12 LEU A   8      -6.339  -6.230   5.048  1.00  0.00           H  
ATOM    103 HD13 LEU A   8      -6.141  -6.382   3.286  1.00  0.00           H  
ATOM    104 HD21 LEU A   8      -6.062  -2.654   5.229  1.00  0.00           H  
ATOM    105 HD22 LEU A   8      -7.047  -4.062   5.692  1.00  0.00           H  
ATOM    106 HD23 LEU A   8      -5.327  -3.990   6.147  1.00  0.00           H  
ATOM    107  N   ALA A   9      -5.038  -3.653   0.593  1.00  0.00           N  
ATOM    108  CA  ALA A   9      -5.965  -3.606  -0.524  1.00  0.00           C  
ATOM    109  C   ALA A   9      -6.463  -2.171  -0.708  1.00  0.00           C  
ATOM    110  O   ALA A   9      -7.416  -1.752  -0.052  1.00  0.00           O  
ATOM    111  CB  ALA A   9      -7.108  -4.594  -0.280  1.00  0.00           C  
ATOM    112  H   ALA A   9      -4.653  -2.770   0.860  1.00  0.00           H  
ATOM    113  HA  ALA A   9      -5.423  -3.911  -1.419  1.00  0.00           H  
ATOM    114  HB1 ALA A   9      -7.210  -4.774   0.790  1.00  0.00           H  
ATOM    115  HB2 ALA A   9      -8.037  -4.177  -0.668  1.00  0.00           H  
ATOM    116  HB3 ALA A   9      -6.892  -5.533  -0.789  1.00  0.00           H  
ATOM    117  N   GLY A  10      -5.797  -1.457  -1.604  1.00  0.00           N  
ATOM    118  CA  GLY A  10      -6.160  -0.078  -1.882  1.00  0.00           C  
ATOM    119  C   GLY A  10      -4.969   0.856  -1.668  1.00  0.00           C  
ATOM    120  O   GLY A  10      -4.770   1.800  -2.432  1.00  0.00           O  
ATOM    121  H   GLY A  10      -5.024  -1.805  -2.133  1.00  0.00           H  
ATOM    122  HA2 GLY A  10      -6.515   0.007  -2.909  1.00  0.00           H  
ATOM    123  HA3 GLY A  10      -6.983   0.222  -1.234  1.00  0.00           H  
ATOM    124  N   TYR A  11      -4.205   0.561  -0.626  1.00  0.00           N  
ATOM    125  CA  TYR A  11      -3.038   1.364  -0.302  1.00  0.00           C  
ATOM    126  C   TYR A  11      -2.069   1.425  -1.485  1.00  0.00           C  
ATOM    127  O   TYR A  11      -2.062   0.533  -2.333  1.00  0.00           O  
ATOM    128  CB  TYR A  11      -2.351   0.656   0.868  1.00  0.00           C  
ATOM    129  CG  TYR A  11      -3.153   0.688   2.170  1.00  0.00           C  
ATOM    130  CD1 TYR A  11      -3.119   1.809   2.975  1.00  0.00           C  
ATOM    131  CD2 TYR A  11      -3.910  -0.406   2.542  1.00  0.00           C  
ATOM    132  CE1 TYR A  11      -3.875   1.838   4.201  1.00  0.00           C  
ATOM    133  CE2 TYR A  11      -4.665  -0.376   3.767  1.00  0.00           C  
ATOM    134  CZ  TYR A  11      -4.610   0.744   4.537  1.00  0.00           C  
ATOM    135  OH  TYR A  11      -5.323   0.772   5.694  1.00  0.00           O  
ATOM    136  H   TYR A  11      -4.373  -0.208  -0.010  1.00  0.00           H  
ATOM    137  HA  TYR A  11      -3.378   2.372  -0.068  1.00  0.00           H  
ATOM    138  HB2 TYR A  11      -2.165  -0.382   0.593  1.00  0.00           H  
ATOM    139  HB3 TYR A  11      -1.380   1.120   1.040  1.00  0.00           H  
ATOM    140  HD1 TYR A  11      -2.522   2.672   2.683  1.00  0.00           H  
ATOM    141  HD2 TYR A  11      -3.937  -1.291   1.906  1.00  0.00           H  
ATOM    142  HE1 TYR A  11      -3.857   2.717   4.846  1.00  0.00           H  
ATOM    143  HE2 TYR A  11      -5.267  -1.232   4.072  1.00  0.00           H  
ATOM    144  HH  TYR A  11      -6.230   0.380   5.547  1.00  0.00           H  
ATOM    145  N   MET A  12      -1.274   2.484  -1.504  1.00  0.00           N  
ATOM    146  CA  MET A  12      -0.304   2.673  -2.568  1.00  0.00           C  
ATOM    147  C   MET A  12       1.123   2.501  -2.046  1.00  0.00           C  
ATOM    148  O   MET A  12       1.364   2.597  -0.843  1.00  0.00           O  
ATOM    149  CB  MET A  12      -0.464   4.074  -3.164  1.00  0.00           C  
ATOM    150  CG  MET A  12      -0.686   5.115  -2.064  1.00  0.00           C  
ATOM    151  SD  MET A  12      -0.293   6.744  -2.677  1.00  0.00           S  
ATOM    152  CE  MET A  12       0.002   7.593  -1.135  1.00  0.00           C  
ATOM    153  H   MET A  12      -1.287   3.206  -0.811  1.00  0.00           H  
ATOM    154  HA  MET A  12      -0.524   1.902  -3.306  1.00  0.00           H  
ATOM    155  HB2 MET A  12       0.424   4.332  -3.739  1.00  0.00           H  
ATOM    156  HB3 MET A  12      -1.307   4.085  -3.856  1.00  0.00           H  
ATOM    157  HG2 MET A  12      -1.723   5.084  -1.727  1.00  0.00           H  
ATOM    158  HG3 MET A  12      -0.064   4.882  -1.200  1.00  0.00           H  
ATOM    159  HE1 MET A  12       0.810   7.098  -0.597  1.00  0.00           H  
ATOM    160  HE2 MET A  12       0.278   8.627  -1.337  1.00  0.00           H  
ATOM    161  HE3 MET A  12      -0.904   7.571  -0.529  1.00  0.00           H  
ATOM    162  N   ARG A  13       2.034   2.250  -2.975  1.00  0.00           N  
ATOM    163  CA  ARG A  13       3.431   2.062  -2.623  1.00  0.00           C  
ATOM    164  C   ARG A  13       4.206   3.368  -2.816  1.00  0.00           C  
ATOM    165  O   ARG A  13       4.527   3.742  -3.943  1.00  0.00           O  
ATOM    166  CB  ARG A  13       4.072   0.967  -3.477  1.00  0.00           C  
ATOM    167  CG  ARG A  13       4.064  -0.376  -2.742  1.00  0.00           C  
ATOM    168  CD  ARG A  13       5.490  -0.868  -2.485  1.00  0.00           C  
ATOM    169  NE  ARG A  13       5.665  -2.226  -3.045  1.00  0.00           N  
ATOM    170  CZ  ARG A  13       6.844  -2.737  -3.423  1.00  0.00           C  
ATOM    171  NH1 ARG A  13       7.960  -2.006  -3.304  1.00  0.00           N  
ATOM    172  NH2 ARG A  13       6.908  -3.980  -3.922  1.00  0.00           N  
ATOM    173  H   ARG A  13       1.830   2.173  -3.952  1.00  0.00           H  
ATOM    174  HA  ARG A  13       3.417   1.765  -1.575  1.00  0.00           H  
ATOM    175  HB2 ARG A  13       3.533   0.873  -4.419  1.00  0.00           H  
ATOM    176  HB3 ARG A  13       5.097   1.245  -3.723  1.00  0.00           H  
ATOM    177  HG2 ARG A  13       3.535  -0.272  -1.794  1.00  0.00           H  
ATOM    178  HG3 ARG A  13       3.521  -1.114  -3.331  1.00  0.00           H  
ATOM    179  HD2 ARG A  13       6.207  -0.184  -2.938  1.00  0.00           H  
ATOM    180  HD3 ARG A  13       5.692  -0.879  -1.414  1.00  0.00           H  
ATOM    181  HE  ARG A  13       4.851  -2.800  -3.148  1.00  0.00           H  
ATOM    182 HH11 ARG A  13       7.913  -1.079  -2.932  1.00  0.00           H  
ATOM    183 HH12 ARG A  13       8.841  -2.387  -3.587  1.00  0.00           H  
ATOM    184 HH21 ARG A  13       6.075  -4.526  -4.011  1.00  0.00           H  
ATOM    185 HH22 ARG A  13       7.788  -4.360  -4.204  1.00  0.00           H  
ATOM    186  N   THR A  14       4.484   4.025  -1.700  1.00  0.00           N  
ATOM    187  CA  THR A  14       5.215   5.280  -1.731  1.00  0.00           C  
ATOM    188  C   THR A  14       6.596   5.077  -2.357  1.00  0.00           C  
ATOM    189  O   THR A  14       6.845   4.061  -3.005  1.00  0.00           O  
ATOM    190  CB  THR A  14       5.269   5.832  -0.305  1.00  0.00           C  
ATOM    191  OG1 THR A  14       5.823   4.764   0.459  1.00  0.00           O  
ATOM    192  CG2 THR A  14       3.877   6.038   0.297  1.00  0.00           C  
ATOM    193  H   THR A  14       4.218   3.713  -0.786  1.00  0.00           H  
ATOM    194  HA  THR A  14       4.673   5.976  -2.370  1.00  0.00           H  
ATOM    195  HB  THR A  14       5.851   6.752  -0.265  1.00  0.00           H  
ATOM    196  HG1 THR A  14       6.483   5.122   1.119  1.00  0.00           H  
ATOM    197 HG21 THR A  14       3.257   5.167   0.085  1.00  0.00           H  
ATOM    198 HG22 THR A  14       3.964   6.169   1.376  1.00  0.00           H  
ATOM    199 HG23 THR A  14       3.420   6.925  -0.141  1.00  0.00           H  
ATOM    200  N   ALA A  15       7.457   6.060  -2.143  1.00  0.00           N  
ATOM    201  CA  ALA A  15       8.806   6.002  -2.678  1.00  0.00           C  
ATOM    202  C   ALA A  15       9.705   5.235  -1.705  1.00  0.00           C  
ATOM    203  O   ALA A  15      10.891   5.046  -1.968  1.00  0.00           O  
ATOM    204  CB  ALA A  15       9.313   7.422  -2.942  1.00  0.00           C  
ATOM    205  H   ALA A  15       7.247   6.882  -1.615  1.00  0.00           H  
ATOM    206  HA  ALA A  15       8.765   5.462  -3.624  1.00  0.00           H  
ATOM    207  HB1 ALA A  15       8.664   8.139  -2.437  1.00  0.00           H  
ATOM    208  HB2 ALA A  15      10.330   7.522  -2.562  1.00  0.00           H  
ATOM    209  HB3 ALA A  15       9.304   7.617  -4.014  1.00  0.00           H  
ATOM    210  N   ASP A  16       9.103   4.814  -0.602  1.00  0.00           N  
ATOM    211  CA  ASP A  16       9.833   4.071   0.411  1.00  0.00           C  
ATOM    212  C   ASP A  16       9.241   2.667   0.534  1.00  0.00           C  
ATOM    213  O   ASP A  16       9.829   1.795   1.172  1.00  0.00           O  
ATOM    214  CB  ASP A  16       9.726   4.751   1.777  1.00  0.00           C  
ATOM    215  CG  ASP A  16      11.055   5.213   2.377  1.00  0.00           C  
ATOM    216  OD1 ASP A  16      12.099   4.756   1.864  1.00  0.00           O  
ATOM    217  OD2 ASP A  16      10.998   6.013   3.337  1.00  0.00           O  
ATOM    218  H   ASP A  16       8.138   4.972  -0.396  1.00  0.00           H  
ATOM    219  HA  ASP A  16      10.868   4.059   0.068  1.00  0.00           H  
ATOM    220  HB2 ASP A  16       9.066   5.615   1.686  1.00  0.00           H  
ATOM    221  HB3 ASP A  16       9.250   4.061   2.474  1.00  0.00           H  
ATOM    222  N   GLY A  17       8.083   2.491  -0.087  1.00  0.00           N  
ATOM    223  CA  GLY A  17       7.404   1.207  -0.055  1.00  0.00           C  
ATOM    224  C   GLY A  17       6.312   1.190   1.017  1.00  0.00           C  
ATOM    225  O   GLY A  17       5.608   0.194   1.176  1.00  0.00           O  
ATOM    226  H   GLY A  17       7.612   3.206  -0.603  1.00  0.00           H  
ATOM    227  HA2 GLY A  17       6.965   1.000  -1.030  1.00  0.00           H  
ATOM    228  HA3 GLY A  17       8.126   0.415   0.145  1.00  0.00           H  
ATOM    229  N   ARG A  18       6.206   2.305   1.726  1.00  0.00           N  
ATOM    230  CA  ARG A  18       5.212   2.431   2.777  1.00  0.00           C  
ATOM    231  C   ARG A  18       3.803   2.425   2.180  1.00  0.00           C  
ATOM    232  O   ARG A  18       3.396   3.387   1.532  1.00  0.00           O  
ATOM    233  CB  ARG A  18       5.414   3.722   3.574  1.00  0.00           C  
ATOM    234  CG  ARG A  18       6.898   3.962   3.861  1.00  0.00           C  
ATOM    235  CD  ARG A  18       7.087   4.732   5.170  1.00  0.00           C  
ATOM    236  NE  ARG A  18       8.158   4.104   5.976  1.00  0.00           N  
ATOM    237  CZ  ARG A  18       8.897   4.758   6.881  1.00  0.00           C  
ATOM    238  NH1 ARG A  18       8.686   6.063   7.102  1.00  0.00           N  
ATOM    239  NH2 ARG A  18       9.847   4.108   7.566  1.00  0.00           N  
ATOM    240  H   ARG A  18       6.783   3.111   1.590  1.00  0.00           H  
ATOM    241  HA  ARG A  18       5.372   1.563   3.417  1.00  0.00           H  
ATOM    242  HB2 ARG A  18       5.006   4.565   3.018  1.00  0.00           H  
ATOM    243  HB3 ARG A  18       4.864   3.663   4.514  1.00  0.00           H  
ATOM    244  HG2 ARG A  18       7.421   3.008   3.917  1.00  0.00           H  
ATOM    245  HG3 ARG A  18       7.344   4.522   3.038  1.00  0.00           H  
ATOM    246  HD2 ARG A  18       7.341   5.770   4.957  1.00  0.00           H  
ATOM    247  HD3 ARG A  18       6.154   4.741   5.733  1.00  0.00           H  
ATOM    248  HE  ARG A  18       8.341   3.132   5.835  1.00  0.00           H  
ATOM    249 HH11 ARG A  18       7.976   6.549   6.591  1.00  0.00           H  
ATOM    250 HH12 ARG A  18       9.238   6.551   7.779  1.00  0.00           H  
ATOM    251 HH21 ARG A  18      10.005   3.133   7.401  1.00  0.00           H  
ATOM    252 HH22 ARG A  18      10.399   4.596   8.243  1.00  0.00           H  
ATOM    253  N   CYS A  19       3.098   1.329   2.420  1.00  0.00           N  
ATOM    254  CA  CYS A  19       1.744   1.183   1.914  1.00  0.00           C  
ATOM    255  C   CYS A  19       0.896   2.324   2.480  1.00  0.00           C  
ATOM    256  O   CYS A  19       0.377   2.225   3.591  1.00  0.00           O  
ATOM    257  CB  CYS A  19       1.157  -0.187   2.254  1.00  0.00           C  
ATOM    258  SG  CYS A  19       1.927  -1.593   1.370  1.00  0.00           S  
ATOM    259  H   CYS A  19       3.438   0.550   2.948  1.00  0.00           H  
ATOM    260  HA  CYS A  19       1.806   1.250   0.828  1.00  0.00           H  
ATOM    261  HB2 CYS A  19       1.254  -0.354   3.326  1.00  0.00           H  
ATOM    262  HB3 CYS A  19       0.090  -0.176   2.029  1.00  0.00           H  
ATOM    263  N   LYS A  20       0.781   3.382   1.690  1.00  0.00           N  
ATOM    264  CA  LYS A  20       0.004   4.540   2.099  1.00  0.00           C  
ATOM    265  C   LYS A  20      -1.405   4.437   1.510  1.00  0.00           C  
ATOM    266  O   LYS A  20      -1.687   3.541   0.717  1.00  0.00           O  
ATOM    267  CB  LYS A  20       0.733   5.832   1.725  1.00  0.00           C  
ATOM    268  CG  LYS A  20       1.212   6.572   2.977  1.00  0.00           C  
ATOM    269  CD  LYS A  20       1.849   7.914   2.609  1.00  0.00           C  
ATOM    270  CE  LYS A  20       2.280   8.678   3.863  1.00  0.00           C  
ATOM    271  NZ  LYS A  20       2.240  10.137   3.621  1.00  0.00           N  
ATOM    272  H   LYS A  20       1.205   3.454   0.788  1.00  0.00           H  
ATOM    273  HA  LYS A  20      -0.073   4.515   3.186  1.00  0.00           H  
ATOM    274  HB2 LYS A  20       1.585   5.602   1.085  1.00  0.00           H  
ATOM    275  HB3 LYS A  20       0.068   6.476   1.151  1.00  0.00           H  
ATOM    276  HG2 LYS A  20       0.372   6.737   3.651  1.00  0.00           H  
ATOM    277  HG3 LYS A  20       1.936   5.957   3.512  1.00  0.00           H  
ATOM    278  HD2 LYS A  20       2.713   7.747   1.966  1.00  0.00           H  
ATOM    279  HD3 LYS A  20       1.138   8.514   2.040  1.00  0.00           H  
ATOM    280  HE2 LYS A  20       1.622   8.423   4.695  1.00  0.00           H  
ATOM    281  HE3 LYS A  20       3.287   8.378   4.151  1.00  0.00           H  
ATOM    282  HZ1 LYS A  20       1.702  10.324   2.799  1.00  0.00           H  
ATOM    283  HZ2 LYS A  20       1.820  10.594   4.405  1.00  0.00           H  
ATOM    284  HZ3 LYS A  20       3.171  10.479   3.494  1.00  0.00           H  
ATOM    285  N   PRO A  21      -2.276   5.392   1.934  1.00  0.00           N  
ATOM    286  CA  PRO A  21      -3.648   5.418   1.458  1.00  0.00           C  
ATOM    287  C   PRO A  21      -3.720   5.938   0.020  1.00  0.00           C  
ATOM    288  O   PRO A  21      -2.967   6.834  -0.358  1.00  0.00           O  
ATOM    289  CB  PRO A  21      -4.391   6.299   2.447  1.00  0.00           C  
ATOM    290  CG  PRO A  21      -3.325   7.107   3.168  1.00  0.00           C  
ATOM    291  CD  PRO A  21      -1.978   6.470   2.872  1.00  0.00           C  
ATOM    292  HA  PRO A  21      -4.024   4.491   1.432  1.00  0.00           H  
ATOM    293  HB2 PRO A  21      -5.097   6.954   1.934  1.00  0.00           H  
ATOM    294  HB3 PRO A  21      -4.968   5.698   3.150  1.00  0.00           H  
ATOM    295  HG2 PRO A  21      -3.339   8.145   2.832  1.00  0.00           H  
ATOM    296  HG3 PRO A  21      -3.515   7.118   4.241  1.00  0.00           H  
ATOM    297  HD2 PRO A  21      -1.284   7.192   2.440  1.00  0.00           H  
ATOM    298  HD3 PRO A  21      -1.512   6.086   3.780  1.00  0.00           H  
ATOM    299  N   THR A  22      -4.636   5.356  -0.741  1.00  0.00           N  
ATOM    300  CA  THR A  22      -4.816   5.750  -2.128  1.00  0.00           C  
ATOM    301  C   THR A  22      -6.153   6.470  -2.308  1.00  0.00           C  
ATOM    302  O   THR A  22      -6.560   6.762  -3.431  1.00  0.00           O  
ATOM    303  CB  THR A  22      -4.680   4.498  -2.996  1.00  0.00           C  
ATOM    304  OG1 THR A  22      -3.501   3.863  -2.507  1.00  0.00           O  
ATOM    305  CG2 THR A  22      -4.346   4.829  -4.452  1.00  0.00           C  
ATOM    306  H   THR A  22      -5.245   4.628  -0.425  1.00  0.00           H  
ATOM    307  HA  THR A  22      -4.032   6.461  -2.388  1.00  0.00           H  
ATOM    308  HB  THR A  22      -5.575   3.880  -2.933  1.00  0.00           H  
ATOM    309  HG1 THR A  22      -3.274   3.074  -3.079  1.00  0.00           H  
ATOM    310 HG21 THR A  22      -3.465   5.470  -4.487  1.00  0.00           H  
ATOM    311 HG22 THR A  22      -4.146   3.907  -4.999  1.00  0.00           H  
ATOM    312 HG23 THR A  22      -5.190   5.346  -4.909  1.00  0.00           H  
ATOM    313  N   PHE A  23      -6.802   6.737  -1.183  1.00  0.00           N  
ATOM    314  CA  PHE A  23      -8.085   7.418  -1.201  1.00  0.00           C  
ATOM    315  C   PHE A  23      -7.967   8.826  -0.616  1.00  0.00           C  
ATOM    316  O   PHE A  23      -7.790   9.796  -1.353  1.00  0.00           O  
ATOM    317  CB  PHE A  23      -9.040   6.596  -0.333  1.00  0.00           C  
ATOM    318  CG  PHE A  23      -8.440   6.150   1.002  1.00  0.00           C  
ATOM    319  CD1 PHE A  23      -8.522   6.964   2.089  1.00  0.00           C  
ATOM    320  CD2 PHE A  23      -7.826   4.942   1.101  1.00  0.00           C  
ATOM    321  CE1 PHE A  23      -7.964   6.551   3.329  1.00  0.00           C  
ATOM    322  CE2 PHE A  23      -7.268   4.529   2.341  1.00  0.00           C  
ATOM    323  CZ  PHE A  23      -7.350   5.342   3.428  1.00  0.00           C  
ATOM    324  H   PHE A  23      -6.464   6.497  -0.272  1.00  0.00           H  
ATOM    325  HA  PHE A  23      -8.400   7.484  -2.243  1.00  0.00           H  
ATOM    326  HB2 PHE A  23      -9.936   7.185  -0.139  1.00  0.00           H  
ATOM    327  HB3 PHE A  23      -9.354   5.714  -0.892  1.00  0.00           H  
ATOM    328  HD1 PHE A  23      -9.015   7.933   2.009  1.00  0.00           H  
ATOM    329  HD2 PHE A  23      -7.760   4.290   0.230  1.00  0.00           H  
ATOM    330  HE1 PHE A  23      -8.030   7.203   4.200  1.00  0.00           H  
ATOM    331  HE2 PHE A  23      -6.775   3.560   2.420  1.00  0.00           H  
ATOM    332  HZ  PHE A  23      -6.922   5.024   4.379  1.00  0.00           H  
TER     333      PHE A  23                                                      
CONECT   83  258                                                                
CONECT  258   83                                                                
MASTER       88    0    0    0    2    0    0    6  173    1    2    2          
END