HEADER    PEPTIDE BINDING                         04-SEP-14   2MU6              
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 476-495;                                      
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 2MU6    1       REMARK                                   
REVDAT   1   17-DEC-14 2MU6    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 2MU6 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_1000104049.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 295                                
REMARK 210  PH                             : 3.7                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 8-9 MM PROTEIN,                    
REMARK 210                                   TRIFLUOROETHANOL/WATER             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 2D 1H-1H TOCSY;    
REMARK 210                                   2D DQF-COSY                        
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    GLU A  14   CD    GLU A  14   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    LYS A   1   N   -  CA  -  CB  ANGL. DEV. = -11.3 DEGREES          
REMARK 500    ASP A   9   CB  -  CG  -  OD2 ANGL. DEV. =  -6.0 DEGREES          
REMARK 500    ASP A  12   CB  -  CG  -  OD2 ANGL. DEV. =  -6.0 DEGREES          
REMARK 500    ARG A  17   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500    HIS A  20   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.8 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    SER A   2      -63.85    -97.83                                   
REMARK 500    ARG A  17       36.92   -147.10                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25200   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2MTY   RELATED DB: PDB                                   
DBREF  2MU6 A    1    20  UNP    Q9U3Y8   Q9U3Y8_PLAFA   476    495             
SEQRES   1 A   20  LYS SER MET ILE ASN ALA TYR LEU ASP LYS LEU ASP LEU          
SEQRES   2 A   20  GLU THR VAL ARG LYS ILE HIS                                  
HELIX    1   1 MET A    3  VAL A   16  1                                  14    
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   LYS A   1     -14.487  -1.598  -3.745  1.00  0.00           N  
ATOM      2  CA  LYS A   1     -13.234  -0.963  -3.333  1.00  0.00           C  
ATOM      3  C   LYS A   1     -13.465   0.392  -2.605  1.00  0.00           C  
ATOM      4  O   LYS A   1     -13.093   1.470  -3.078  1.00  0.00           O  
ATOM      5  CB  LYS A   1     -12.534  -0.860  -4.723  1.00  0.00           C  
ATOM      6  CG  LYS A   1     -11.730  -2.117  -5.122  1.00  0.00           C  
ATOM      7  CD  LYS A   1     -11.164  -2.010  -6.546  1.00  0.00           C  
ATOM      8  CE  LYS A   1     -10.236  -3.180  -6.914  1.00  0.00           C  
ATOM      9  NZ  LYS A   1      -9.723  -3.048  -8.290  1.00  0.00           N  
ATOM     10  H1  LYS A   1     -14.529  -1.546  -4.762  1.00  0.00           H  
ATOM     11  HA  LYS A   1     -12.653  -1.622  -2.651  1.00  0.00           H  
ATOM     12  HB2 LYS A   1     -13.231  -0.579  -5.543  1.00  0.00           H  
ATOM     13  HB3 LYS A   1     -11.868  -0.001  -4.726  1.00  0.00           H  
ATOM     14  HG2 LYS A   1     -10.938  -2.233  -4.375  1.00  0.00           H  
ATOM     15  HG3 LYS A   1     -12.316  -3.052  -5.039  1.00  0.00           H  
ATOM     16  HD2 LYS A   1     -12.018  -1.964  -7.251  1.00  0.00           H  
ATOM     17  HD3 LYS A   1     -10.629  -1.048  -6.650  1.00  0.00           H  
ATOM     18  HE2 LYS A   1      -9.381  -3.230  -6.215  1.00  0.00           H  
ATOM     19  HE3 LYS A   1     -10.771  -4.144  -6.821  1.00  0.00           H  
ATOM     20  HZ1 LYS A   1     -10.505  -3.003  -8.953  1.00  0.00           H  
ATOM     21  HZ2 LYS A   1      -9.221  -2.159  -8.394  1.00  0.00           H  
ATOM     22  N   SER A   2     -14.075   0.283  -1.416  1.00  0.00           N  
ATOM     23  CA  SER A   2     -14.365   1.417  -0.509  1.00  0.00           C  
ATOM     24  C   SER A   2     -13.259   1.498   0.581  1.00  0.00           C  
ATOM     25  O   SER A   2     -12.517   2.483   0.634  1.00  0.00           O  
ATOM     26  CB  SER A   2     -15.805   1.329   0.052  1.00  0.00           C  
ATOM     27  OG  SER A   2     -16.771   1.429  -0.991  1.00  0.00           O  
ATOM     28  H   SER A   2     -14.531  -0.618  -1.289  1.00  0.00           H  
ATOM     29  HA  SER A   2     -14.322   2.335  -1.097  1.00  0.00           H  
ATOM     30  HB2 SER A   2     -15.964   0.387   0.609  1.00  0.00           H  
ATOM     31  HB3 SER A   2     -15.983   2.146   0.776  1.00  0.00           H  
ATOM     32  HG  SER A   2     -16.618   2.278  -1.413  1.00  0.00           H  
ATOM     33  N   MET A   3     -13.160   0.457   1.428  1.00  0.00           N  
ATOM     34  CA  MET A   3     -12.140   0.334   2.494  1.00  0.00           C  
ATOM     35  C   MET A   3     -10.853  -0.441   2.056  1.00  0.00           C  
ATOM     36  O   MET A   3      -9.756  -0.046   2.457  1.00  0.00           O  
ATOM     37  CB  MET A   3     -12.751  -0.318   3.764  1.00  0.00           C  
ATOM     38  CG  MET A   3     -13.916   0.454   4.404  1.00  0.00           C  
ATOM     39  SD  MET A   3     -14.286  -0.249   6.028  1.00  0.00           S  
ATOM     40  CE  MET A   3     -15.630   0.829   6.560  1.00  0.00           C  
ATOM     41  H   MET A   3     -13.972  -0.154   1.419  1.00  0.00           H  
ATOM     42  HA  MET A   3     -11.841   1.348   2.777  1.00  0.00           H  
ATOM     43  HB2 MET A   3     -13.074  -1.356   3.555  1.00  0.00           H  
ATOM     44  HB3 MET A   3     -11.962  -0.411   4.531  1.00  0.00           H  
ATOM     45  HG2 MET A   3     -13.656   1.522   4.511  1.00  0.00           H  
ATOM     46  HG3 MET A   3     -14.817   0.408   3.764  1.00  0.00           H  
ATOM     47  HE1 MET A   3     -15.990   0.533   7.562  1.00  0.00           H  
ATOM     48  HE2 MET A   3     -16.483   0.771   5.859  1.00  0.00           H  
ATOM     49  HE3 MET A   3     -15.295   1.881   6.613  1.00  0.00           H  
ATOM     50  N   ILE A   4     -10.983  -1.522   1.249  1.00  0.00           N  
ATOM     51  CA  ILE A   4      -9.844  -2.355   0.761  1.00  0.00           C  
ATOM     52  C   ILE A   4      -8.798  -1.644  -0.161  1.00  0.00           C  
ATOM     53  O   ILE A   4      -7.605  -1.939  -0.034  1.00  0.00           O  
ATOM     54  CB  ILE A   4     -10.351  -3.745   0.227  1.00  0.00           C  
ATOM     55  CG1 ILE A   4      -9.192  -4.765   0.013  1.00  0.00           C  
ATOM     56  CG2 ILE A   4     -11.240  -3.624  -1.035  1.00  0.00           C  
ATOM     57  CD1 ILE A   4      -9.609  -6.240  -0.105  1.00  0.00           C  
ATOM     58  H   ILE A   4     -11.911  -1.607   0.829  1.00  0.00           H  
ATOM     59  HA  ILE A   4      -9.299  -2.592   1.676  1.00  0.00           H  
ATOM     60  HB  ILE A   4     -10.982  -4.189   1.023  1.00  0.00           H  
ATOM     61 HG12 ILE A   4      -8.602  -4.486  -0.880  1.00  0.00           H  
ATOM     62 HG13 ILE A   4      -8.482  -4.694   0.858  1.00  0.00           H  
ATOM     63 HG21 ILE A   4     -10.675  -3.222  -1.896  1.00  0.00           H  
ATOM     64 HG22 ILE A   4     -11.663  -4.598  -1.335  1.00  0.00           H  
ATOM     65 HG23 ILE A   4     -12.096  -2.950  -0.855  1.00  0.00           H  
ATOM     66 HD11 ILE A   4     -10.173  -6.577   0.784  1.00  0.00           H  
ATOM     67 HD12 ILE A   4     -10.241  -6.424  -0.993  1.00  0.00           H  
ATOM     68 HD13 ILE A   4      -8.723  -6.894  -0.198  1.00  0.00           H  
ATOM     69  N   ASN A   5      -9.221  -0.737  -1.065  1.00  0.00           N  
ATOM     70  CA  ASN A   5      -8.317   0.035  -1.960  1.00  0.00           C  
ATOM     71  C   ASN A   5      -7.216   0.857  -1.221  1.00  0.00           C  
ATOM     72  O   ASN A   5      -6.024   0.723  -1.505  1.00  0.00           O  
ATOM     73  CB  ASN A   5      -9.189   0.877  -2.932  1.00  0.00           C  
ATOM     74  CG  ASN A   5      -9.970   2.112  -2.421  1.00  0.00           C  
ATOM     75  OD1 ASN A   5     -10.640   2.069  -1.392  1.00  0.00           O  
ATOM     76  ND2 ASN A   5      -9.913   3.227  -3.132  1.00  0.00           N  
ATOM     77  H   ASN A   5     -10.221  -0.542  -1.078  1.00  0.00           H  
ATOM     78  HA  ASN A   5      -7.801  -0.716  -2.583  1.00  0.00           H  
ATOM     79  HB2 ASN A   5      -8.544   1.163  -3.771  1.00  0.00           H  
ATOM     80  HB3 ASN A   5      -9.943   0.211  -3.367  1.00  0.00           H  
ATOM     81 HD21 ASN A   5      -9.342   3.199  -3.984  1.00  0.00           H  
ATOM     82 HD22 ASN A   5     -10.445   4.028  -2.774  1.00  0.00           H  
ATOM     83  N   ALA A   6      -7.673   1.668  -0.256  1.00  0.00           N  
ATOM     84  CA  ALA A   6      -6.817   2.506   0.616  1.00  0.00           C  
ATOM     85  C   ALA A   6      -5.877   1.710   1.576  1.00  0.00           C  
ATOM     86  O   ALA A   6      -4.765   2.173   1.844  1.00  0.00           O  
ATOM     87  CB  ALA A   6      -7.717   3.477   1.403  1.00  0.00           C  
ATOM     88  H   ALA A   6      -8.696   1.702  -0.274  1.00  0.00           H  
ATOM     89  HA  ALA A   6      -6.192   3.115  -0.054  1.00  0.00           H  
ATOM     90  HB1 ALA A   6      -8.339   4.100   0.732  1.00  0.00           H  
ATOM     91  HB2 ALA A   6      -7.118   4.177   2.016  1.00  0.00           H  
ATOM     92  HB3 ALA A   6      -8.405   2.948   2.091  1.00  0.00           H  
ATOM     93  N   TYR A   7      -6.317   0.531   2.079  1.00  0.00           N  
ATOM     94  CA  TYR A   7      -5.498  -0.347   2.965  1.00  0.00           C  
ATOM     95  C   TYR A   7      -4.259  -0.933   2.223  1.00  0.00           C  
ATOM     96  O   TYR A   7      -3.126  -0.662   2.630  1.00  0.00           O  
ATOM     97  CB  TYR A   7      -6.354  -1.471   3.629  1.00  0.00           C  
ATOM     98  CG  TYR A   7      -7.528  -1.113   4.570  1.00  0.00           C  
ATOM     99  CD1 TYR A   7      -7.590   0.085   5.298  1.00  0.00           C  
ATOM    100  CD2 TYR A   7      -8.550  -2.057   4.732  1.00  0.00           C  
ATOM    101  CE1 TYR A   7      -8.663   0.339   6.149  1.00  0.00           C  
ATOM    102  CE2 TYR A   7      -9.619  -1.803   5.588  1.00  0.00           C  
ATOM    103  CZ  TYR A   7      -9.676  -0.605   6.294  1.00  0.00           C  
ATOM    104  OH  TYR A   7     -10.738  -0.350   7.125  1.00  0.00           O  
ATOM    105  H   TYR A   7      -7.244   0.261   1.724  1.00  0.00           H  
ATOM    106  HA  TYR A   7      -5.099   0.276   3.781  1.00  0.00           H  
ATOM    107  HB2 TYR A   7      -6.730  -2.133   2.823  1.00  0.00           H  
ATOM    108  HB3 TYR A   7      -5.673  -2.121   4.212  1.00  0.00           H  
ATOM    109  HD1 TYR A   7      -6.812   0.829   5.211  1.00  0.00           H  
ATOM    110  HD2 TYR A   7      -8.526  -2.995   4.194  1.00  0.00           H  
ATOM    111  HE1 TYR A   7      -8.704   1.270   6.697  1.00  0.00           H  
ATOM    112  HE2 TYR A   7     -10.405  -2.537   5.697  1.00  0.00           H  
ATOM    113  HH  TYR A   7     -11.339  -1.098   7.103  1.00  0.00           H  
ATOM    114  N   LEU A   8      -4.481  -1.688   1.128  1.00  0.00           N  
ATOM    115  CA  LEU A   8      -3.397  -2.276   0.292  1.00  0.00           C  
ATOM    116  C   LEU A   8      -2.465  -1.283  -0.457  1.00  0.00           C  
ATOM    117  O   LEU A   8      -1.363  -1.702  -0.828  1.00  0.00           O  
ATOM    118  CB  LEU A   8      -3.981  -3.348  -0.672  1.00  0.00           C  
ATOM    119  CG  LEU A   8      -4.457  -4.669  -0.002  1.00  0.00           C  
ATOM    120  CD1 LEU A   8      -5.396  -5.455  -0.937  1.00  0.00           C  
ATOM    121  CD2 LEU A   8      -3.283  -5.569   0.441  1.00  0.00           C  
ATOM    122  H   LEU A   8      -5.466  -1.902   0.972  1.00  0.00           H  
ATOM    123  HA  LEU A   8      -2.714  -2.768   1.003  1.00  0.00           H  
ATOM    124  HB2 LEU A   8      -4.814  -2.887  -1.241  1.00  0.00           H  
ATOM    125  HB3 LEU A   8      -3.239  -3.610  -1.452  1.00  0.00           H  
ATOM    126  HG  LEU A   8      -5.034  -4.406   0.903  1.00  0.00           H  
ATOM    127 HD11 LEU A   8      -4.886  -5.780  -1.863  1.00  0.00           H  
ATOM    128 HD12 LEU A   8      -5.797  -6.362  -0.446  1.00  0.00           H  
ATOM    129 HD13 LEU A   8      -6.268  -4.849  -1.241  1.00  0.00           H  
ATOM    130 HD21 LEU A   8      -2.617  -5.059   1.160  1.00  0.00           H  
ATOM    131 HD22 LEU A   8      -3.641  -6.488   0.942  1.00  0.00           H  
ATOM    132 HD23 LEU A   8      -2.657  -5.885  -0.415  1.00  0.00           H  
ATOM    133  N   ASP A   9      -2.864  -0.006  -0.681  1.00  0.00           N  
ATOM    134  CA  ASP A   9      -2.008   1.022  -1.333  1.00  0.00           C  
ATOM    135  C   ASP A   9      -0.696   1.196  -0.501  1.00  0.00           C  
ATOM    136  O   ASP A   9       0.389   0.885  -0.992  1.00  0.00           O  
ATOM    137  CB  ASP A   9      -2.825   2.332  -1.515  1.00  0.00           C  
ATOM    138  CG  ASP A   9      -2.133   3.405  -2.366  1.00  0.00           C  
ATOM    139  OD1 ASP A   9      -1.558   4.383  -1.888  1.00  0.00           O  
ATOM    140  OD2 ASP A   9      -2.227   3.144  -3.709  1.00  0.00           O  
ATOM    141  H   ASP A   9      -3.826   0.206  -0.407  1.00  0.00           H  
ATOM    142  HA  ASP A   9      -1.752   0.639  -2.332  1.00  0.00           H  
ATOM    143  HB2 ASP A   9      -3.802   2.104  -1.972  1.00  0.00           H  
ATOM    144  HB3 ASP A   9      -3.083   2.767  -0.530  1.00  0.00           H  
ATOM    145  HD2 ASP A   9      -2.712   2.334  -3.885  1.00  0.00           H  
ATOM    146  N   LYS A  10      -0.843   1.600   0.773  1.00  0.00           N  
ATOM    147  CA  LYS A  10       0.280   1.764   1.724  1.00  0.00           C  
ATOM    148  C   LYS A  10       0.899   0.426   2.240  1.00  0.00           C  
ATOM    149  O   LYS A  10       2.062   0.475   2.651  1.00  0.00           O  
ATOM    150  CB  LYS A  10      -0.128   2.698   2.900  1.00  0.00           C  
ATOM    151  CG  LYS A  10      -0.263   4.211   2.592  1.00  0.00           C  
ATOM    152  CD  LYS A  10      -1.536   4.637   1.830  1.00  0.00           C  
ATOM    153  CE  LYS A  10      -1.651   6.161   1.659  1.00  0.00           C  
ATOM    154  NZ  LYS A  10      -2.859   6.526   0.898  1.00  0.00           N  
ATOM    155  H   LYS A  10      -1.777   1.969   0.958  1.00  0.00           H  
ATOM    156  HA  LYS A  10       1.099   2.240   1.164  1.00  0.00           H  
ATOM    157  HB2 LYS A  10      -1.047   2.326   3.392  1.00  0.00           H  
ATOM    158  HB3 LYS A  10       0.645   2.623   3.687  1.00  0.00           H  
ATOM    159  HG2 LYS A  10      -0.241   4.751   3.557  1.00  0.00           H  
ATOM    160  HG3 LYS A  10       0.636   4.557   2.048  1.00  0.00           H  
ATOM    161  HD2 LYS A  10      -1.544   4.166   0.831  1.00  0.00           H  
ATOM    162  HD3 LYS A  10      -2.429   4.249   2.358  1.00  0.00           H  
ATOM    163  HE2 LYS A  10      -1.680   6.661   2.645  1.00  0.00           H  
ATOM    164  HE3 LYS A  10      -0.762   6.559   1.135  1.00  0.00           H  
ATOM    165  HZ1 LYS A  10      -2.814   6.127  -0.046  1.00  0.00           H  
ATOM    166  HZ2 LYS A  10      -2.898   7.543   0.766  1.00  0.00           H  
ATOM    167  N   LEU A  11       0.199  -0.744   2.236  1.00  0.00           N  
ATOM    168  CA  LEU A  11       0.798  -2.035   2.676  1.00  0.00           C  
ATOM    169  C   LEU A  11       1.950  -2.470   1.722  1.00  0.00           C  
ATOM    170  O   LEU A  11       3.076  -2.653   2.190  1.00  0.00           O  
ATOM    171  CB  LEU A  11      -0.260  -3.154   2.895  1.00  0.00           C  
ATOM    172  CG  LEU A  11      -1.162  -3.001   4.153  1.00  0.00           C  
ATOM    173  CD1 LEU A  11      -2.411  -3.900   4.059  1.00  0.00           C  
ATOM    174  CD2 LEU A  11      -0.409  -3.298   5.468  1.00  0.00           C  
ATOM    175  H   LEU A  11      -0.750  -0.727   1.850  1.00  0.00           H  
ATOM    176  HA  LEU A  11       1.251  -1.834   3.650  1.00  0.00           H  
ATOM    177  HB2 LEU A  11      -0.879  -3.230   1.982  1.00  0.00           H  
ATOM    178  HB3 LEU A  11       0.247  -4.137   2.953  1.00  0.00           H  
ATOM    179  HG  LEU A  11      -1.513  -1.955   4.204  1.00  0.00           H  
ATOM    180 HD11 LEU A  11      -2.149  -4.973   3.993  1.00  0.00           H  
ATOM    181 HD12 LEU A  11      -3.023  -3.658   3.172  1.00  0.00           H  
ATOM    182 HD13 LEU A  11      -3.073  -3.775   4.937  1.00  0.00           H  
ATOM    183 HD21 LEU A  11      -1.065  -3.174   6.351  1.00  0.00           H  
ATOM    184 HD22 LEU A  11      -0.013  -4.330   5.497  1.00  0.00           H  
ATOM    185 HD23 LEU A  11       0.447  -2.616   5.619  1.00  0.00           H  
ATOM    186  N   ASP A  12       1.680  -2.585   0.405  1.00  0.00           N  
ATOM    187  CA  ASP A  12       2.701  -2.940  -0.611  1.00  0.00           C  
ATOM    188  C   ASP A  12       3.711  -1.801  -0.912  1.00  0.00           C  
ATOM    189  O   ASP A  12       4.894  -2.114  -1.078  1.00  0.00           O  
ATOM    190  CB  ASP A  12       2.014  -3.539  -1.866  1.00  0.00           C  
ATOM    191  CG  ASP A  12       2.967  -4.264  -2.829  1.00  0.00           C  
ATOM    192  OD1 ASP A  12       3.314  -5.436  -2.684  1.00  0.00           O  
ATOM    193  OD2 ASP A  12       3.387  -3.454  -3.853  1.00  0.00           O  
ATOM    194  H   ASP A  12       0.699  -2.448   0.170  1.00  0.00           H  
ATOM    195  HA  ASP A  12       3.321  -3.705  -0.130  1.00  0.00           H  
ATOM    196  HB2 ASP A  12       1.243  -4.272  -1.560  1.00  0.00           H  
ATOM    197  HB3 ASP A  12       1.458  -2.751  -2.410  1.00  0.00           H  
ATOM    198  HD2 ASP A  12       3.985  -3.910  -4.450  1.00  0.00           H  
ATOM    199  N   LEU A  13       3.290  -0.517  -0.987  1.00  0.00           N  
ATOM    200  CA  LEU A  13       4.232   0.618  -1.210  1.00  0.00           C  
ATOM    201  C   LEU A  13       5.352   0.709  -0.123  1.00  0.00           C  
ATOM    202  O   LEU A  13       6.473   1.087  -0.454  1.00  0.00           O  
ATOM    203  CB  LEU A  13       3.500   1.971  -1.387  1.00  0.00           C  
ATOM    204  CG  LEU A  13       2.735   2.149  -2.729  1.00  0.00           C  
ATOM    205  CD1 LEU A  13       1.869   3.415  -2.669  1.00  0.00           C  
ATOM    206  CD2 LEU A  13       3.661   2.204  -3.961  1.00  0.00           C  
ATOM    207  H   LEU A  13       2.281  -0.375  -0.912  1.00  0.00           H  
ATOM    208  HA  LEU A  13       4.739   0.410  -2.155  1.00  0.00           H  
ATOM    209  HB2 LEU A  13       2.813   2.118  -0.530  1.00  0.00           H  
ATOM    210  HB3 LEU A  13       4.228   2.802  -1.299  1.00  0.00           H  
ATOM    211  HG  LEU A  13       2.053   1.291  -2.869  1.00  0.00           H  
ATOM    212 HD11 LEU A  13       1.259   3.526  -3.583  1.00  0.00           H  
ATOM    213 HD12 LEU A  13       2.486   4.326  -2.557  1.00  0.00           H  
ATOM    214 HD13 LEU A  13       1.169   3.380  -1.814  1.00  0.00           H  
ATOM    215 HD21 LEU A  13       4.418   3.005  -3.874  1.00  0.00           H  
ATOM    216 HD22 LEU A  13       4.202   1.252  -4.110  1.00  0.00           H  
ATOM    217 HD23 LEU A  13       3.089   2.381  -4.890  1.00  0.00           H  
ATOM    218  N   GLU A  14       5.053   0.347   1.140  1.00  0.00           N  
ATOM    219  CA  GLU A  14       6.016   0.330   2.250  1.00  0.00           C  
ATOM    220  C   GLU A  14       6.763  -1.021   2.460  1.00  0.00           C  
ATOM    221  O   GLU A  14       7.858  -0.975   3.028  1.00  0.00           O  
ATOM    222  CB  GLU A  14       5.326   0.814   3.536  1.00  0.00           C  
ATOM    223  CG  GLU A  14       4.872   2.293   3.562  1.00  0.00           C  
ATOM    224  CD  GLU A  14       4.219   2.687   4.888  1.00  0.00           C  
ATOM    225  OE1 GLU A  14       4.809   3.299   5.778  1.00  0.00           O  
ATOM    226  OE2 GLU A  14       2.912   2.280   4.967  1.00  0.00           O  
ATOM    227  H   GLU A  14       4.061   0.263   1.348  1.00  0.00           H  
ATOM    228  HA  GLU A  14       6.786   1.049   2.017  1.00  0.00           H  
ATOM    229  HB2 GLU A  14       4.475   0.153   3.714  1.00  0.00           H  
ATOM    230  HB3 GLU A  14       6.002   0.645   4.384  1.00  0.00           H  
ATOM    231  HG2 GLU A  14       5.740   2.953   3.376  1.00  0.00           H  
ATOM    232  HG3 GLU A  14       4.165   2.496   2.736  1.00  0.00           H  
ATOM    233  HE2 GLU A  14       2.507   2.530   5.801  1.00  0.00           H  
ATOM    234  N   THR A  15       6.243  -2.208   2.054  1.00  0.00           N  
ATOM    235  CA  THR A  15       6.970  -3.490   2.207  1.00  0.00           C  
ATOM    236  C   THR A  15       8.143  -3.600   1.189  1.00  0.00           C  
ATOM    237  O   THR A  15       9.304  -3.702   1.593  1.00  0.00           O  
ATOM    238  CB  THR A  15       6.017  -4.718   2.194  1.00  0.00           C  
ATOM    239  OG1 THR A  15       5.146  -4.707   1.070  1.00  0.00           O  
ATOM    240  CG2 THR A  15       5.192  -4.903   3.480  1.00  0.00           C  
ATOM    241  H   THR A  15       5.410  -2.217   1.460  1.00  0.00           H  
ATOM    242  HA  THR A  15       7.425  -3.471   3.199  1.00  0.00           H  
ATOM    243  HB  THR A  15       6.645  -5.606   2.092  1.00  0.00           H  
ATOM    244  HG1 THR A  15       4.646  -5.525   1.115  1.00  0.00           H  
ATOM    245 HG21 THR A  15       4.532  -5.787   3.412  1.00  0.00           H  
ATOM    246 HG22 THR A  15       5.846  -5.054   4.359  1.00  0.00           H  
ATOM    247 HG23 THR A  15       4.553  -4.030   3.699  1.00  0.00           H  
ATOM    248  N   VAL A  16       7.820  -3.538  -0.112  1.00  0.00           N  
ATOM    249  CA  VAL A  16       8.785  -3.579  -1.223  1.00  0.00           C  
ATOM    250  C   VAL A  16       9.303  -2.188  -1.733  1.00  0.00           C  
ATOM    251  O   VAL A  16      10.180  -2.211  -2.604  1.00  0.00           O  
ATOM    252  CB  VAL A  16       8.193  -4.460  -2.379  1.00  0.00           C  
ATOM    253  CG1 VAL A  16       8.107  -5.965  -2.031  1.00  0.00           C  
ATOM    254  CG2 VAL A  16       6.856  -3.982  -2.996  1.00  0.00           C  
ATOM    255  H   VAL A  16       6.831  -3.555  -0.331  1.00  0.00           H  
ATOM    256  HA  VAL A  16       9.674  -4.107  -0.856  1.00  0.00           H  
ATOM    257  HB  VAL A  16       8.922  -4.401  -3.194  1.00  0.00           H  
ATOM    258 HG11 VAL A  16       9.080  -6.357  -1.680  1.00  0.00           H  
ATOM    259 HG12 VAL A  16       7.367  -6.166  -1.234  1.00  0.00           H  
ATOM    260 HG13 VAL A  16       7.817  -6.574  -2.908  1.00  0.00           H  
ATOM    261 HG21 VAL A  16       6.012  -4.105  -2.294  1.00  0.00           H  
ATOM    262 HG22 VAL A  16       6.601  -4.550  -3.911  1.00  0.00           H  
ATOM    263 HG23 VAL A  16       6.894  -2.915  -3.283  1.00  0.00           H  
ATOM    264  N   ARG A  17       8.860  -1.011  -1.216  1.00  0.00           N  
ATOM    265  CA  ARG A  17       9.349   0.295  -1.711  1.00  0.00           C  
ATOM    266  C   ARG A  17       9.447   1.454  -0.654  1.00  0.00           C  
ATOM    267  O   ARG A  17       9.243   2.621  -0.996  1.00  0.00           O  
ATOM    268  CB  ARG A  17       8.592   0.499  -3.065  1.00  0.00           C  
ATOM    269  CG  ARG A  17       7.679   1.716  -3.327  1.00  0.00           C  
ATOM    270  CD  ARG A  17       8.351   2.925  -4.019  1.00  0.00           C  
ATOM    271  NE  ARG A  17       7.382   4.006  -4.332  1.00  0.00           N  
ATOM    272  CZ  ARG A  17       7.011   4.988  -3.486  1.00  0.00           C  
ATOM    273  NH1 ARG A  17       7.475   5.117  -2.244  1.00  0.00           N  
ATOM    274  NH2 ARG A  17       6.130   5.874  -3.913  1.00  0.00           N  
ATOM    275  H   ARG A  17       8.003  -1.021  -0.671  1.00  0.00           H  
ATOM    276  HA  ARG A  17      10.392   0.157  -1.990  1.00  0.00           H  
ATOM    277  HB2 ARG A  17       9.373   0.444  -3.823  1.00  0.00           H  
ATOM    278  HB3 ARG A  17       7.988  -0.391  -3.336  1.00  0.00           H  
ATOM    279  HG2 ARG A  17       6.852   1.367  -3.969  1.00  0.00           H  
ATOM    280  HG3 ARG A  17       7.199   2.021  -2.382  1.00  0.00           H  
ATOM    281  HD2 ARG A  17       9.192   3.312  -3.416  1.00  0.00           H  
ATOM    282  HD3 ARG A  17       8.812   2.592  -4.967  1.00  0.00           H  
ATOM    283 HH11 ARG A  17       8.157   4.417  -1.934  1.00  0.00           H  
ATOM    284 HH12 ARG A  17       7.113   5.907  -1.698  1.00  0.00           H  
ATOM    285 HH21 ARG A  17       5.785   5.754  -4.872  1.00  0.00           H  
ATOM    286 HH22 ARG A  17       5.861   6.611  -3.251  1.00  0.00           H  
ATOM    287  N   LYS A  18       9.835   1.174   0.615  1.00  0.00           N  
ATOM    288  CA  LYS A  18      10.000   2.223   1.668  1.00  0.00           C  
ATOM    289  C   LYS A  18      11.228   3.161   1.453  1.00  0.00           C  
ATOM    290  O   LYS A  18      11.063   4.385   1.475  1.00  0.00           O  
ATOM    291  CB  LYS A  18       9.856   1.694   3.125  1.00  0.00           C  
ATOM    292  CG  LYS A  18      10.786   0.555   3.590  1.00  0.00           C  
ATOM    293  CD  LYS A  18      12.067   1.003   4.329  1.00  0.00           C  
ATOM    294  CE  LYS A  18      13.069  -0.127   4.636  1.00  0.00           C  
ATOM    295  NZ  LYS A  18      12.595  -1.068   5.669  1.00  0.00           N  
ATOM    296  H   LYS A  18       9.975   0.187   0.832  1.00  0.00           H  
ATOM    297  HA  LYS A  18       9.120   2.851   1.563  1.00  0.00           H  
ATOM    298  HB2 LYS A  18       9.907   2.539   3.838  1.00  0.00           H  
ATOM    299  HB3 LYS A  18       8.816   1.339   3.238  1.00  0.00           H  
ATOM    300  HG2 LYS A  18      10.222  -0.115   4.270  1.00  0.00           H  
ATOM    301  HG3 LYS A  18      11.030  -0.045   2.699  1.00  0.00           H  
ATOM    302  HD2 LYS A  18      12.593   1.761   3.727  1.00  0.00           H  
ATOM    303  HD3 LYS A  18      11.791   1.529   5.262  1.00  0.00           H  
ATOM    304  HE2 LYS A  18      13.317  -0.684   3.713  1.00  0.00           H  
ATOM    305  HE3 LYS A  18      14.022   0.317   4.979  1.00  0.00           H  
ATOM    306  HZ1 LYS A  18      13.318  -1.768   5.865  1.00  0.00           H  
ATOM    307  HZ2 LYS A  18      12.443  -0.572   6.554  1.00  0.00           H  
ATOM    308  N   ILE A  19      12.427   2.594   1.222  1.00  0.00           N  
ATOM    309  CA  ILE A  19      13.676   3.353   0.955  1.00  0.00           C  
ATOM    310  C   ILE A  19      13.770   3.766  -0.548  1.00  0.00           C  
ATOM    311  O   ILE A  19      13.760   4.963  -0.849  1.00  0.00           O  
ATOM    312  CB  ILE A  19      14.936   2.665   1.599  1.00  0.00           C  
ATOM    313  CG1 ILE A  19      16.248   3.499   1.498  1.00  0.00           C  
ATOM    314  CG2 ILE A  19      15.214   1.229   1.097  1.00  0.00           C  
ATOM    315  CD1 ILE A  19      16.229   4.857   2.218  1.00  0.00           C  
ATOM    316  H   ILE A  19      12.432   1.579   1.289  1.00  0.00           H  
ATOM    317  HA  ILE A  19      13.576   4.278   1.519  1.00  0.00           H  
ATOM    318  HB  ILE A  19      14.718   2.562   2.680  1.00  0.00           H  
ATOM    319 HG12 ILE A  19      17.089   2.919   1.923  1.00  0.00           H  
ATOM    320 HG13 ILE A  19      16.518   3.658   0.437  1.00  0.00           H  
ATOM    321 HG21 ILE A  19      15.529   1.213   0.038  1.00  0.00           H  
ATOM    322 HG22 ILE A  19      14.320   0.586   1.189  1.00  0.00           H  
ATOM    323 HG23 ILE A  19      16.014   0.747   1.687  1.00  0.00           H  
ATOM    324 HD11 ILE A  19      15.493   5.551   1.772  1.00  0.00           H  
ATOM    325 HD12 ILE A  19      15.982   4.748   3.290  1.00  0.00           H  
ATOM    326 HD13 ILE A  19      17.216   5.351   2.157  1.00  0.00           H  
ATOM    327  N   HIS A  20      13.828   2.785  -1.467  1.00  0.00           N  
ATOM    328  CA  HIS A  20      13.877   3.018  -2.924  1.00  0.00           C  
ATOM    329  C   HIS A  20      12.434   3.129  -3.495  1.00  0.00           C  
ATOM    330  O   HIS A  20      11.654   2.175  -3.482  1.00  0.00           O  
ATOM    331  CB  HIS A  20      14.729   1.931  -3.600  1.00  0.00           C  
ATOM    332  CG  HIS A  20      15.068   2.254  -5.052  1.00  0.00           C  
ATOM    333  ND1 HIS A  20      15.695   3.428  -5.453  1.00  0.00           N  
ATOM    334  CD2 HIS A  20      14.769   1.441  -6.160  1.00  0.00           C  
ATOM    335  CE1 HIS A  20      15.717   3.203  -6.808  1.00  0.00           C  
ATOM    336  NE2 HIS A  20      15.191   2.049  -7.325  1.00  0.00           N  
ATOM    337  H   HIS A  20      13.936   1.854  -1.070  1.00  0.00           H  
ATOM    338  HA  HIS A  20      14.451   3.922  -3.101  1.00  0.00           H  
ATOM    339  HB2 HIS A  20      15.679   1.779  -3.052  1.00  0.00           H  
ATOM    340  HB3 HIS A  20      14.190   0.982  -3.523  1.00  0.00           H  
ATOM    341  HD2 HIS A  20      14.271   0.483  -6.116  1.00  0.00           H  
ATOM    342  HE1 HIS A  20      16.149   3.940  -7.469  1.00  0.00           H  
ATOM    343  HE2 HIS A  20      15.121   1.733  -8.299  1.00  0.00           H  
TER     344      HIS A  20                                                      
MASTER      133    0    0    1    0    0    0    6  166    1    0    2          
END