HEADER    PEPTIDE BINDING                         01-SEP-14   2MTY              
TITLE     3D STRUCTURE DETERMINATION OF STARP PEPTIDES IMPLICATED IN P.         
TITLE    2 FALCIPARUM INVASION OF HEPATIC CELLS                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: STARP ANTIGEN;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 41-60;                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
SOURCE   4 ORGANISM_TAXID: 5833                                                 
KEYWDS    STARP, SPOROZOITE, MALARIA VACCINE, PEPTIDE BINDING                   
EXPDTA    SOLUTION NMR                                                          
AUTHOR    A.BERMUDEZ,M.P.ALBA,M.VANEGAS,M.E.PATARROYO                           
REVDAT   2   14-JUN-23 2MTY    1       REMARK                                   
REVDAT   1   17-DEC-14 2MTY    0                                                
JRNL        AUTH   A.BERMUDEZ,M.P.ALBA,M.VANEGAS,M.E.PATARROYO                  
JRNL        TITL   3D STRUCTURE DETERMINATION OF STARP PEPTIDES IMPLICATED IN   
JRNL        TITL 2 P. FALCIPARUM INVASION OF HEPATIC CELLS.                     
JRNL        REF    VACCINE                       V.  28  4989 2010              
JRNL        REFN                   ISSN 0264-410X                               
JRNL        PMID   20580741                                                     
JRNL        DOI    10.1016/J.VACCINE.2010.05.025                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : INSIGHT II, INSIGHT II                               
REMARK   3   AUTHORS     : ACCELRYS SOFTWARE INC. (INSIGHT II), ACCELRYS        
REMARK   3                 SOFTWARE INC. (INSIGHT II)                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MTY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-SEP-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000104041.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 295                                
REMARK 210  PH                             : 3.9                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 8 MM PROTEIN,                      
REMARK 210                                   TRIFLUOROETHANOL/WATER             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D    
REMARK 210                                   1H-1H NOESY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
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 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: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    HIS A   4   CG    HIS A   4   CD2     0.057                       
REMARK 500    GLU A  10   CD    GLU A  10   OE2     0.119                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    HIS A   4   CB  -  CG  -  CD2 ANGL. DEV. = -13.3 DEGREES          
REMARK 500    HIS A   4   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.9 DEGREES          
REMARK 500    ARG A   6   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500    LEU A  16   CB  -  CG  -  CD2 ANGL. DEV. =  11.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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   5       41.81     39.94                                   
REMARK 500    PHE A   7      -55.07   -120.65                                   
REMARK 500    SER A   9       48.66     70.57                                   
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    HIS A   4         0.29    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25191   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2MU6   RELATED DB: PDB                                   
DBREF  2MTY A    1    20  UNP    Q9U3Y8   Q9U3Y8_PLAFA    41     60             
SEQRES   1 A   20  VAL ILE LYS HIS ASN ARG PHE LEU SER GLU TYR GLN SER          
SEQRES   2 A   20  ASN PHE LEU GLY GLY GLY TYR                                  
HELIX    1   1 ILE A    2  PHE A    7  5                                   6    
HELIX    2   2 LEU A    8  GLY A   17  1                                  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   VAL A   1      -9.767   3.249  -9.616  1.00  0.00           N  
ATOM      2  CA  VAL A   1      -8.764   2.507  -8.808  1.00  0.00           C  
ATOM      3  C   VAL A   1      -9.325   2.246  -7.380  1.00  0.00           C  
ATOM      4  O   VAL A   1      -9.836   3.156  -6.716  1.00  0.00           O  
ATOM      5  CB  VAL A   1      -7.340   3.156  -8.798  1.00  0.00           C  
ATOM      6  CG1 VAL A   1      -6.651   3.102 -10.181  1.00  0.00           C  
ATOM      7  CG2 VAL A   1      -7.284   4.594  -8.243  1.00  0.00           C  
ATOM      8  H1  VAL A   1      -9.442   3.337 -10.585  1.00  0.00           H  
ATOM      9  H2  VAL A   1     -10.642   2.717  -9.664  1.00  0.00           H  
ATOM     10  HA  VAL A   1      -8.639   1.535  -9.311  1.00  0.00           H  
ATOM     11  HB  VAL A   1      -6.711   2.538  -8.128  1.00  0.00           H  
ATOM     12 HG11 VAL A   1      -7.180   3.714 -10.935  1.00  0.00           H  
ATOM     13 HG12 VAL A   1      -6.606   2.068 -10.572  1.00  0.00           H  
ATOM     14 HG13 VAL A   1      -5.608   3.468 -10.134  1.00  0.00           H  
ATOM     15 HG21 VAL A   1      -7.870   5.294  -8.867  1.00  0.00           H  
ATOM     16 HG22 VAL A   1      -6.246   4.968  -8.196  1.00  0.00           H  
ATOM     17 HG23 VAL A   1      -7.692   4.642  -7.218  1.00  0.00           H  
ATOM     18  N   ILE A   2      -9.177   1.000  -6.894  1.00  0.00           N  
ATOM     19  CA  ILE A   2      -9.753   0.537  -5.607  1.00  0.00           C  
ATOM     20  C   ILE A   2      -9.005   1.099  -4.373  1.00  0.00           C  
ATOM     21  O   ILE A   2      -9.641   1.646  -3.468  1.00  0.00           O  
ATOM     22  CB  ILE A   2      -9.948  -1.000  -5.684  1.00  0.00           C  
ATOM     23  CG1 ILE A   2     -10.904  -1.260  -6.877  1.00  0.00           C  
ATOM     24  CG2 ILE A   2     -10.440  -1.630  -4.347  1.00  0.00           C  
ATOM     25  CD1 ILE A   2     -11.224  -2.670  -7.138  1.00  0.00           C  
ATOM     26  H   ILE A   2      -9.134   0.205  -7.548  1.00  0.00           H  
ATOM     27  HA  ILE A   2     -10.815   0.756  -5.549  1.00  0.00           H  
ATOM     28  HB  ILE A   2      -9.020  -1.485  -5.962  1.00  0.00           H  
ATOM     29 HG12 ILE A   2     -11.813  -0.680  -6.729  1.00  0.00           H  
ATOM     30 HG13 ILE A   2     -10.479  -0.893  -7.832  1.00  0.00           H  
ATOM     31 HG21 ILE A   2     -11.426  -1.234  -4.039  1.00  0.00           H  
ATOM     32 HG22 ILE A   2      -9.738  -1.437  -3.517  1.00  0.00           H  
ATOM     33 HG23 ILE A   2     -10.528  -2.730  -4.411  1.00  0.00           H  
ATOM     34 HD11 ILE A   2     -11.804  -2.660  -8.070  1.00  0.00           H  
ATOM     35 HD12 ILE A   2     -10.250  -3.175  -7.239  1.00  0.00           H  
ATOM     36 HD13 ILE A   2     -11.808  -3.013  -6.273  1.00  0.00           H  
ATOM     37  N   LYS A   3      -7.665   0.961  -4.367  1.00  0.00           N  
ATOM     38  CA  LYS A   3      -6.780   1.431  -3.253  1.00  0.00           C  
ATOM     39  C   LYS A   3      -7.097   0.777  -1.860  1.00  0.00           C  
ATOM     40  O   LYS A   3      -6.888   1.372  -0.799  1.00  0.00           O  
ATOM     41  CB  LYS A   3      -6.590   2.960  -3.238  1.00  0.00           C  
ATOM     42  CG  LYS A   3      -5.729   3.437  -4.413  1.00  0.00           C  
ATOM     43  CD  LYS A   3      -5.120   4.825  -4.245  1.00  0.00           C  
ATOM     44  CE  LYS A   3      -6.108   5.996  -4.401  1.00  0.00           C  
ATOM     45  NZ  LYS A   3      -5.426   7.292  -4.246  1.00  0.00           N  
ATOM     46  H   LYS A   3      -7.317   0.509  -5.221  1.00  0.00           H  
ATOM     47  HA  LYS A   3      -5.771   1.115  -3.513  1.00  0.00           H  
ATOM     48  HB2 LYS A   3      -7.551   3.453  -3.311  1.00  0.00           H  
ATOM     49  HB3 LYS A   3      -6.121   3.280  -2.285  1.00  0.00           H  
ATOM     50  HG2 LYS A   3      -4.883   2.747  -4.489  1.00  0.00           H  
ATOM     51  HG3 LYS A   3      -6.291   3.322  -5.357  1.00  0.00           H  
ATOM     52  HD2 LYS A   3      -4.623   4.841  -3.255  1.00  0.00           H  
ATOM     53  HD3 LYS A   3      -4.313   4.892  -4.994  1.00  0.00           H  
ATOM     54  HE2 LYS A   3      -6.596   5.960  -5.392  1.00  0.00           H  
ATOM     55  HE3 LYS A   3      -6.918   5.923  -3.652  1.00  0.00           H  
ATOM     56  HZ1 LYS A   3      -5.026   7.369  -3.305  1.00  0.00           H  
ATOM     57  HZ2 LYS A   3      -6.106   8.058  -4.321  1.00  0.00           H  
ATOM     58  N   HIS A   4      -7.604  -0.475  -1.900  1.00  0.00           N  
ATOM     59  CA  HIS A   4      -7.992  -1.326  -0.773  1.00  0.00           C  
ATOM     60  C   HIS A   4      -8.928  -0.730   0.298  1.00  0.00           C  
ATOM     61  O   HIS A   4      -8.819  -1.080   1.481  1.00  0.00           O  
ATOM     62  CB  HIS A   4      -6.723  -2.120  -0.396  1.00  0.00           C  
ATOM     63  CG  HIS A   4      -6.369  -3.277  -1.368  1.00  0.00           C  
ATOM     64  ND1 HIS A   4      -5.808  -2.950  -2.597  1.00  0.00           N  
ATOM     65  CD2 HIS A   4      -7.354  -4.272  -1.543  1.00  0.00           C  
ATOM     66  CE1 HIS A   4      -6.724  -3.562  -3.407  1.00  0.00           C  
ATOM     67  NE2 HIS A   4      -7.666  -4.404  -2.876  1.00  0.00           N  
ATOM     68  H   HIS A   4      -7.569  -0.989  -2.768  1.00  0.00           H  
ATOM     69  HA  HIS A   4      -8.634  -2.092  -1.203  1.00  0.00           H  
ATOM     70  HB2 HIS A   4      -5.894  -1.412  -0.339  1.00  0.00           H  
ATOM     71  HB3 HIS A   4      -6.886  -2.525   0.592  1.00  0.00           H  
ATOM     72  HD2 HIS A   4      -8.150  -4.351  -0.822  1.00  0.00           H  
ATOM     73  HE1 HIS A   4      -7.002  -2.998  -4.283  1.00  0.00           H  
ATOM     74  HE2 HIS A   4      -8.661  -4.330  -3.116  1.00  0.00           H  
ATOM     75  N   ASN A   5      -9.874   0.116  -0.213  1.00  0.00           N  
ATOM     76  CA  ASN A   5     -10.924   0.851   0.567  1.00  0.00           C  
ATOM     77  C   ASN A   5     -10.438   1.430   1.933  1.00  0.00           C  
ATOM     78  O   ASN A   5     -11.150   1.391   2.942  1.00  0.00           O  
ATOM     79  CB  ASN A   5     -12.216  -0.017   0.685  1.00  0.00           C  
ATOM     80  CG  ASN A   5     -12.914  -0.386  -0.643  1.00  0.00           C  
ATOM     81  OD1 ASN A   5     -12.673  -1.449  -1.216  1.00  0.00           O  
ATOM     82  ND2 ASN A   5     -13.782   0.474  -1.154  1.00  0.00           N  
ATOM     83  H   ASN A   5      -9.633   0.403  -1.180  1.00  0.00           H  
ATOM     84  HA  ASN A   5     -11.193   1.736  -0.040  1.00  0.00           H  
ATOM     85  HB2 ASN A   5     -11.985  -0.950   1.235  1.00  0.00           H  
ATOM     86  HB3 ASN A   5     -12.952   0.500   1.333  1.00  0.00           H  
ATOM     87 HD21 ASN A   5     -13.935   1.340  -0.626  1.00  0.00           H  
ATOM     88 HD22 ASN A   5     -14.230   0.204  -2.037  1.00  0.00           H  
ATOM     89  N   ARG A   6      -9.213   2.006   1.924  1.00  0.00           N  
ATOM     90  CA  ARG A   6      -8.548   2.599   3.119  1.00  0.00           C  
ATOM     91  C   ARG A   6      -8.432   1.587   4.314  1.00  0.00           C  
ATOM     92  O   ARG A   6      -8.583   1.988   5.472  1.00  0.00           O  
ATOM     93  CB  ARG A   6      -9.167   3.975   3.524  1.00  0.00           C  
ATOM     94  CG  ARG A   6      -8.988   5.108   2.451  1.00  0.00           C  
ATOM     95  CD  ARG A   6     -10.276   5.347   1.606  1.00  0.00           C  
ATOM     96  NE  ARG A   6     -10.087   6.416   0.593  1.00  0.00           N  
ATOM     97  CZ  ARG A   6     -10.343   7.726   0.788  1.00  0.00           C  
ATOM     98  NH1 ARG A   6     -10.797   8.235   1.932  1.00  0.00           N  
ATOM     99  NH2 ARG A   6     -10.127   8.555  -0.217  1.00  0.00           N  
ATOM    100  H   ARG A   6      -8.725   1.904   1.025  1.00  0.00           H  
ATOM    101  HA  ARG A   6      -7.497   2.772   2.806  1.00  0.00           H  
ATOM    102  HB2 ARG A   6     -10.233   3.833   3.826  1.00  0.00           H  
ATOM    103  HB3 ARG A   6      -8.721   4.291   4.490  1.00  0.00           H  
ATOM    104  HG2 ARG A   6      -8.660   6.058   2.927  1.00  0.00           H  
ATOM    105  HG3 ARG A   6      -8.115   4.907   1.780  1.00  0.00           H  
ATOM    106  HD2 ARG A   6     -10.575   4.424   1.067  1.00  0.00           H  
ATOM    107  HD3 ARG A   6     -11.161   5.557   2.244  1.00  0.00           H  
ATOM    108 HH11 ARG A   6     -10.957   7.572   2.698  1.00  0.00           H  
ATOM    109 HH12 ARG A   6     -10.952   9.249   1.954  1.00  0.00           H  
ATOM    110 HH21 ARG A   6      -9.776   8.141  -1.087  1.00  0.00           H  
ATOM    111 HH22 ARG A   6     -10.328   9.547  -0.045  1.00  0.00           H  
ATOM    112  N   PHE A   7      -8.142   0.292   4.020  1.00  0.00           N  
ATOM    113  CA  PHE A   7      -8.008  -0.777   5.030  1.00  0.00           C  
ATOM    114  C   PHE A   7      -6.609  -1.438   5.004  1.00  0.00           C  
ATOM    115  O   PHE A   7      -5.940  -1.466   6.042  1.00  0.00           O  
ATOM    116  CB  PHE A   7      -9.201  -1.759   4.936  1.00  0.00           C  
ATOM    117  CG  PHE A   7      -9.516  -2.529   6.235  1.00  0.00           C  
ATOM    118  CD1 PHE A   7      -8.859  -3.727   6.542  1.00  0.00           C  
ATOM    119  CD2 PHE A   7     -10.465  -2.022   7.131  1.00  0.00           C  
ATOM    120  CE1 PHE A   7      -9.150  -4.407   7.723  1.00  0.00           C  
ATOM    121  CE2 PHE A   7     -10.755  -2.704   8.311  1.00  0.00           C  
ATOM    122  CZ  PHE A   7     -10.098  -3.896   8.605  1.00  0.00           C  
ATOM    123  H   PHE A   7      -8.178   0.026   3.026  1.00  0.00           H  
ATOM    124  HA  PHE A   7      -8.105  -0.320   5.995  1.00  0.00           H  
ATOM    125  HB2 PHE A   7     -10.122  -1.220   4.621  1.00  0.00           H  
ATOM    126  HB3 PHE A   7      -8.984  -2.454   4.116  1.00  0.00           H  
ATOM    127  HD1 PHE A   7      -8.113  -4.132   5.878  1.00  0.00           H  
ATOM    128  HD2 PHE A   7     -10.982  -1.096   6.919  1.00  0.00           H  
ATOM    129  HE1 PHE A   7      -8.638  -5.329   7.955  1.00  0.00           H  
ATOM    130  HE2 PHE A   7     -11.489  -2.308   8.998  1.00  0.00           H  
ATOM    131  HZ  PHE A   7     -10.323  -4.424   9.521  1.00  0.00           H  
ATOM    132  N   LEU A   8      -6.163  -1.951   3.841  1.00  0.00           N  
ATOM    133  CA  LEU A   8      -4.833  -2.593   3.702  1.00  0.00           C  
ATOM    134  C   LEU A   8      -3.595  -1.637   3.770  1.00  0.00           C  
ATOM    135  O   LEU A   8      -2.512  -2.089   4.151  1.00  0.00           O  
ATOM    136  CB  LEU A   8      -4.795  -3.417   2.400  1.00  0.00           C  
ATOM    137  CG  LEU A   8      -5.692  -4.725   2.370  1.00  0.00           C  
ATOM    138  CD1 LEU A   8      -5.027  -5.843   3.192  1.00  0.00           C  
ATOM    139  CD2 LEU A   8      -7.183  -4.644   2.768  1.00  0.00           C  
ATOM    140  H   LEU A   8      -6.835  -1.997   3.064  1.00  0.00           H  
ATOM    141  HA  LEU A   8      -4.750  -3.358   4.480  1.00  0.00           H  
ATOM    142  HB2 LEU A   8      -4.968  -2.711   1.567  1.00  0.00           H  
ATOM    143  HB3 LEU A   8      -3.727  -3.683   2.221  1.00  0.00           H  
ATOM    144  HG  LEU A   8      -5.774  -5.083   1.342  1.00  0.00           H  
ATOM    145 HD11 LEU A   8      -5.015  -5.603   4.272  1.00  0.00           H  
ATOM    146 HD12 LEU A   8      -3.981  -6.006   2.876  1.00  0.00           H  
ATOM    147 HD13 LEU A   8      -5.560  -6.803   3.075  1.00  0.00           H  
ATOM    148 HD21 LEU A   8      -7.724  -3.857   2.215  1.00  0.00           H  
ATOM    149 HD22 LEU A   8      -7.319  -4.451   3.845  1.00  0.00           H  
ATOM    150 HD23 LEU A   8      -7.710  -5.594   2.553  1.00  0.00           H  
ATOM    151  N   SER A   9      -3.754  -0.347   3.389  1.00  0.00           N  
ATOM    152  CA  SER A   9      -2.692   0.694   3.385  1.00  0.00           C  
ATOM    153  C   SER A   9      -1.630   0.461   2.283  1.00  0.00           C  
ATOM    154  O   SER A   9      -0.431   0.550   2.550  1.00  0.00           O  
ATOM    155  CB  SER A   9      -2.197   0.957   4.811  1.00  0.00           C  
ATOM    156  OG  SER A   9      -1.483   2.185   4.906  1.00  0.00           O  
ATOM    157  H   SER A   9      -4.715  -0.077   3.191  1.00  0.00           H  
ATOM    158  HA  SER A   9      -3.174   1.628   3.137  1.00  0.00           H  
ATOM    159  HB2 SER A   9      -3.087   0.977   5.469  1.00  0.00           H  
ATOM    160  HB3 SER A   9      -1.557   0.130   5.132  1.00  0.00           H  
ATOM    161  HG  SER A   9      -1.226   2.270   5.827  1.00  0.00           H  
ATOM    162  N   GLU A  10      -2.081   0.209   1.024  1.00  0.00           N  
ATOM    163  CA  GLU A  10      -1.241  -0.055  -0.160  1.00  0.00           C  
ATOM    164  C   GLU A  10      -0.206  -1.188   0.092  1.00  0.00           C  
ATOM    165  O   GLU A  10       0.988  -1.059  -0.193  1.00  0.00           O  
ATOM    166  CB  GLU A  10      -0.714   1.306  -0.704  1.00  0.00           C  
ATOM    167  CG  GLU A  10      -1.749   2.369  -1.152  1.00  0.00           C  
ATOM    168  CD  GLU A  10      -2.664   1.932  -2.302  1.00  0.00           C  
ATOM    169  OE1 GLU A  10      -3.738   1.357  -2.128  1.00  0.00           O  
ATOM    170  OE2 GLU A  10      -2.148   2.253  -3.531  1.00  0.00           O  
ATOM    171  H   GLU A  10      -3.062   0.338   0.802  1.00  0.00           H  
ATOM    172  HA  GLU A  10      -1.950  -0.512  -0.865  1.00  0.00           H  
ATOM    173  HB2 GLU A  10      -0.043   1.763   0.048  1.00  0.00           H  
ATOM    174  HB3 GLU A  10      -0.065   1.111  -1.553  1.00  0.00           H  
ATOM    175  HG2 GLU A  10      -2.373   2.674  -0.292  1.00  0.00           H  
ATOM    176  HG3 GLU A  10      -1.212   3.291  -1.447  1.00  0.00           H  
ATOM    177  HE2 GLU A  10      -2.724   1.977  -4.247  1.00  0.00           H  
ATOM    178  N   TYR A  11      -0.751  -2.323   0.605  1.00  0.00           N  
ATOM    179  CA  TYR A  11       0.014  -3.551   0.973  1.00  0.00           C  
ATOM    180  C   TYR A  11       1.017  -3.170   2.115  1.00  0.00           C  
ATOM    181  O   TYR A  11       2.170  -3.605   2.092  1.00  0.00           O  
ATOM    182  CB  TYR A  11       0.608  -4.277  -0.277  1.00  0.00           C  
ATOM    183  CG  TYR A  11       1.128  -5.706  -0.026  1.00  0.00           C  
ATOM    184  CD1 TYR A  11       0.229  -6.770   0.108  1.00  0.00           C  
ATOM    185  CD2 TYR A  11       2.503  -5.957   0.067  1.00  0.00           C  
ATOM    186  CE1 TYR A  11       0.697  -8.062   0.341  1.00  0.00           C  
ATOM    187  CE2 TYR A  11       2.969  -7.248   0.305  1.00  0.00           C  
ATOM    188  CZ  TYR A  11       2.066  -8.300   0.441  1.00  0.00           C  
ATOM    189  OH  TYR A  11       2.526  -9.572   0.673  1.00  0.00           O  
ATOM    190  H   TYR A  11      -1.703  -2.144   0.958  1.00  0.00           H  
ATOM    191  HA  TYR A  11      -0.707  -4.235   1.432  1.00  0.00           H  
ATOM    192  HB2 TYR A  11      -0.165  -4.329  -1.069  1.00  0.00           H  
ATOM    193  HB3 TYR A  11       1.405  -3.652  -0.724  1.00  0.00           H  
ATOM    194  HD1 TYR A  11      -0.836  -6.601   0.037  1.00  0.00           H  
ATOM    195  HD2 TYR A  11       3.217  -5.153  -0.034  1.00  0.00           H  
ATOM    196  HE1 TYR A  11      -0.006  -8.876   0.446  1.00  0.00           H  
ATOM    197  HE2 TYR A  11       4.031  -7.429   0.382  1.00  0.00           H  
ATOM    198  HH  TYR A  11       1.776 -10.168   0.739  1.00  0.00           H  
ATOM    199  N   GLN A  12       0.566  -2.379   3.141  1.00  0.00           N  
ATOM    200  CA  GLN A  12       1.415  -1.912   4.277  1.00  0.00           C  
ATOM    201  C   GLN A  12       2.652  -1.128   3.710  1.00  0.00           C  
ATOM    202  O   GLN A  12       3.777  -1.311   4.179  1.00  0.00           O  
ATOM    203  CB  GLN A  12       1.653  -3.085   5.246  1.00  0.00           C  
ATOM    204  CG  GLN A  12       1.875  -2.750   6.736  1.00  0.00           C  
ATOM    205  CD  GLN A  12       3.245  -2.158   7.104  1.00  0.00           C  
ATOM    206  OE1 GLN A  12       3.380  -0.954   7.315  1.00  0.00           O  
ATOM    207  NE2 GLN A  12       4.280  -2.982   7.195  1.00  0.00           N  
ATOM    208  H   GLN A  12      -0.421  -2.091   3.103  1.00  0.00           H  
ATOM    209  HA  GLN A  12       0.828  -1.201   4.850  1.00  0.00           H  
ATOM    210  HB2 GLN A  12       0.744  -3.714   5.200  1.00  0.00           H  
ATOM    211  HB3 GLN A  12       2.477  -3.692   4.855  1.00  0.00           H  
ATOM    212  HG2 GLN A  12       1.077  -2.061   7.071  1.00  0.00           H  
ATOM    213  HG3 GLN A  12       1.707  -3.671   7.326  1.00  0.00           H  
ATOM    214 HE21 GLN A  12       4.096  -3.974   7.009  1.00  0.00           H  
ATOM    215 HE22 GLN A  12       5.182  -2.561   7.445  1.00  0.00           H  
ATOM    216  N   SER A  13       2.423  -0.247   2.686  1.00  0.00           N  
ATOM    217  CA  SER A  13       3.474   0.557   2.006  1.00  0.00           C  
ATOM    218  C   SER A  13       4.554  -0.384   1.386  1.00  0.00           C  
ATOM    219  O   SER A  13       5.753  -0.138   1.547  1.00  0.00           O  
ATOM    220  CB  SER A  13       3.917   1.702   2.915  1.00  0.00           C  
ATOM    221  OG  SER A  13       4.701   2.660   2.214  1.00  0.00           O  
ATOM    222  H   SER A  13       1.443  -0.158   2.378  1.00  0.00           H  
ATOM    223  HA  SER A  13       3.010   1.065   1.172  1.00  0.00           H  
ATOM    224  HB2 SER A  13       3.005   2.178   3.326  1.00  0.00           H  
ATOM    225  HB3 SER A  13       4.484   1.295   3.754  1.00  0.00           H  
ATOM    226  HG  SER A  13       4.924   3.339   2.854  1.00  0.00           H  
ATOM    227  N   ASN A  14       4.107  -1.450   0.646  1.00  0.00           N  
ATOM    228  CA  ASN A  14       5.016  -2.461   0.016  1.00  0.00           C  
ATOM    229  C   ASN A  14       5.851  -3.194   1.128  1.00  0.00           C  
ATOM    230  O   ASN A  14       6.992  -3.594   0.878  1.00  0.00           O  
ATOM    231  CB  ASN A  14       5.853  -1.890  -1.172  1.00  0.00           C  
ATOM    232  CG  ASN A  14       5.005  -1.619  -2.427  1.00  0.00           C  
ATOM    233  OD1 ASN A  14       4.208  -0.682  -2.471  1.00  0.00           O  
ATOM    234  ND2 ASN A  14       5.095  -2.465  -3.441  1.00  0.00           N  
ATOM    235  H   ASN A  14       3.099  -1.665   0.738  1.00  0.00           H  
ATOM    236  HA  ASN A  14       4.379  -3.244  -0.410  1.00  0.00           H  
ATOM    237  HB2 ASN A  14       6.379  -0.964  -0.876  1.00  0.00           H  
ATOM    238  HB3 ASN A  14       6.665  -2.597  -1.428  1.00  0.00           H  
ATOM    239 HD21 ASN A  14       5.896  -3.109  -3.469  1.00  0.00           H  
ATOM    240 HD22 ASN A  14       4.223  -2.565  -3.964  1.00  0.00           H  
ATOM    241  N   PHE A  15       5.254  -3.420   2.345  1.00  0.00           N  
ATOM    242  CA  PHE A  15       5.909  -4.070   3.519  1.00  0.00           C  
ATOM    243  C   PHE A  15       7.285  -3.380   3.814  1.00  0.00           C  
ATOM    244  O   PHE A  15       8.329  -4.031   3.917  1.00  0.00           O  
ATOM    245  CB  PHE A  15       5.856  -5.597   3.386  1.00  0.00           C  
ATOM    246  CG  PHE A  15       6.143  -6.394   4.672  1.00  0.00           C  
ATOM    247  CD1 PHE A  15       5.171  -6.488   5.676  1.00  0.00           C  
ATOM    248  CD2 PHE A  15       7.375  -7.034   4.850  1.00  0.00           C  
ATOM    249  CE1 PHE A  15       5.432  -7.204   6.842  1.00  0.00           C  
ATOM    250  CE2 PHE A  15       7.633  -7.750   6.017  1.00  0.00           C  
ATOM    251  CZ  PHE A  15       6.662  -7.835   7.011  1.00  0.00           C  
ATOM    252  H   PHE A  15       4.281  -3.089   2.433  1.00  0.00           H  
ATOM    253  HA  PHE A  15       5.265  -3.858   4.377  1.00  0.00           H  
ATOM    254  HB2 PHE A  15       4.843  -5.849   3.023  1.00  0.00           H  
ATOM    255  HB3 PHE A  15       6.539  -5.876   2.580  1.00  0.00           H  
ATOM    256  HD1 PHE A  15       4.213  -6.002   5.559  1.00  0.00           H  
ATOM    257  HD2 PHE A  15       8.140  -6.976   4.088  1.00  0.00           H  
ATOM    258  HE1 PHE A  15       4.680  -7.270   7.614  1.00  0.00           H  
ATOM    259  HE2 PHE A  15       8.586  -8.240   6.150  1.00  0.00           H  
ATOM    260  HZ  PHE A  15       6.863  -8.390   7.916  1.00  0.00           H  
ATOM    261  N   LEU A  16       7.238  -2.025   3.892  1.00  0.00           N  
ATOM    262  CA  LEU A  16       8.391  -1.136   4.137  1.00  0.00           C  
ATOM    263  C   LEU A  16       9.558  -1.321   3.105  1.00  0.00           C  
ATOM    264  O   LEU A  16      10.726  -1.408   3.497  1.00  0.00           O  
ATOM    265  CB  LEU A  16       8.719  -1.139   5.644  1.00  0.00           C  
ATOM    266  CG  LEU A  16       7.696  -0.349   6.572  1.00  0.00           C  
ATOM    267  CD1 LEU A  16       8.388   0.930   7.039  1.00  0.00           C  
ATOM    268  CD2 LEU A  16       6.305   0.110   6.057  1.00  0.00           C  
ATOM    269  H   LEU A  16       6.309  -1.628   4.065  1.00  0.00           H  
ATOM    270  HA  LEU A  16       8.029  -0.111   3.958  1.00  0.00           H  
ATOM    271  HB2 LEU A  16       8.876  -2.184   5.976  1.00  0.00           H  
ATOM    272  HB3 LEU A  16       9.755  -0.738   5.737  1.00  0.00           H  
ATOM    273  HG  LEU A  16       7.411  -0.970   7.438  1.00  0.00           H  
ATOM    274 HD11 LEU A  16       9.341   0.694   7.538  1.00  0.00           H  
ATOM    275 HD12 LEU A  16       8.602   1.578   6.167  1.00  0.00           H  
ATOM    276 HD13 LEU A  16       7.754   1.495   7.743  1.00  0.00           H  
ATOM    277 HD21 LEU A  16       5.680  -0.741   5.750  1.00  0.00           H  
ATOM    278 HD22 LEU A  16       6.364   0.822   5.213  1.00  0.00           H  
ATOM    279 HD23 LEU A  16       5.731   0.628   6.854  1.00  0.00           H  
ATOM    280  N   GLY A  17       9.234  -1.356   1.787  1.00  0.00           N  
ATOM    281  CA  GLY A  17      10.264  -1.504   0.738  1.00  0.00           C  
ATOM    282  C   GLY A  17       9.649  -1.468  -0.669  1.00  0.00           C  
ATOM    283  O   GLY A  17       9.248  -2.512  -1.191  1.00  0.00           O  
ATOM    284  H   GLY A  17       8.227  -1.470   1.568  1.00  0.00           H  
ATOM    285  HA2 GLY A  17      11.043  -0.724   0.852  1.00  0.00           H  
ATOM    286  HA3 GLY A  17      10.792  -2.468   0.873  1.00  0.00           H  
ATOM    287  N   GLY A  18       9.607  -0.270  -1.274  1.00  0.00           N  
ATOM    288  CA  GLY A  18       9.061  -0.088  -2.635  1.00  0.00           C  
ATOM    289  C   GLY A  18       9.427   1.301  -3.185  1.00  0.00           C  
ATOM    290  O   GLY A  18       8.865   2.309  -2.746  1.00  0.00           O  
ATOM    291  H   GLY A  18       9.983   0.511  -0.726  1.00  0.00           H  
ATOM    292  HA2 GLY A  18       9.407  -0.898  -3.308  1.00  0.00           H  
ATOM    293  HA3 GLY A  18       7.959  -0.180  -2.604  1.00  0.00           H  
ATOM    294  N   GLY A  19      10.353   1.335  -4.159  1.00  0.00           N  
ATOM    295  CA  GLY A  19      10.811   2.594  -4.790  1.00  0.00           C  
ATOM    296  C   GLY A  19       9.872   3.059  -5.920  1.00  0.00           C  
ATOM    297  O   GLY A  19       9.741   2.374  -6.939  1.00  0.00           O  
ATOM    298  H   GLY A  19      10.725   0.422  -4.439  1.00  0.00           H  
ATOM    299  HA2 GLY A  19      10.972   3.378  -4.023  1.00  0.00           H  
ATOM    300  HA3 GLY A  19      11.813   2.418  -5.223  1.00  0.00           H  
ATOM    301  N   TYR A  20       9.224   4.219  -5.714  1.00  0.00           N  
ATOM    302  CA  TYR A  20       8.282   4.817  -6.688  1.00  0.00           C  
ATOM    303  C   TYR A  20       8.496   6.352  -6.687  1.00  0.00           C  
ATOM    304  O   TYR A  20       8.235   7.049  -5.703  1.00  0.00           O  
ATOM    305  CB  TYR A  20       6.793   4.463  -6.389  1.00  0.00           C  
ATOM    306  CG  TYR A  20       6.425   2.968  -6.456  1.00  0.00           C  
ATOM    307  CD1 TYR A  20       6.189   2.345  -7.687  1.00  0.00           C  
ATOM    308  CD2 TYR A  20       6.362   2.209  -5.282  1.00  0.00           C  
ATOM    309  CE1 TYR A  20       5.901   0.983  -7.741  1.00  0.00           C  
ATOM    310  CE2 TYR A  20       6.081   0.847  -5.339  1.00  0.00           C  
ATOM    311  CZ  TYR A  20       5.847   0.234  -6.567  1.00  0.00           C  
ATOM    312  OH  TYR A  20       5.569  -1.109  -6.621  1.00  0.00           O  
ATOM    313  H   TYR A  20       9.516   4.746  -4.896  1.00  0.00           H  
ATOM    314  HA  TYR A  20       8.539   4.426  -7.682  1.00  0.00           H  
ATOM    315  HB2 TYR A  20       6.504   4.876  -5.402  1.00  0.00           H  
ATOM    316  HB3 TYR A  20       6.146   5.011  -7.102  1.00  0.00           H  
ATOM    317  HD1 TYR A  20       6.240   2.912  -8.606  1.00  0.00           H  
ATOM    318  HD2 TYR A  20       6.550   2.667  -4.321  1.00  0.00           H  
ATOM    319  HE1 TYR A  20       5.723   0.510  -8.697  1.00  0.00           H  
ATOM    320  HE2 TYR A  20       6.053   0.270  -4.427  1.00  0.00           H  
ATOM    321  HH  TYR A  20       5.574  -1.465  -5.729  1.00  0.00           H  
TER     322      TYR A  20                                                      
MASTER      150    0    0    2    0    0    0    6  165    1    0    2          
END