HEADER    CELL INVASION                           04-SEP-14   2MU8              
TITLE     RESIDUES BELONGING THE N-TERMINAL REGION DERIVED OF MEROZOITE SURFACE 
TITLE    2 PROTEIN-2 OF PLASMODIUM FALCIPARUM                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MSP-2 PEPTIDE;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM;                          
SOURCE   4 ORGANISM_TAXID: 5833;                                                
SOURCE   5 OTHER_DETAILS: SYNTHETIC PEPTIDE OF 20 RESIDUES LENGTH FROM MSP-2    
SOURCE   6 PROTEIN OF PLASMODIUM FALCIPARUM                                     
KEYWDS    MEROZOITE SURFACE PROTEIN 2, CLASSIC BETA-TURN, CELL INVASION         
EXPDTA    SOLUTION NMR                                                          
AUTHOR    G.CIFUENTES,M.E.PATARROYO,M.URQUIZA,L.E.RAMIREZ,C.REYES,R.RODRIGUEZ   
REVDAT   3   14-JUN-23 2MU8    1       REMARK                                   
REVDAT   2   09-DEC-15 2MU8    1       JRNL   TITLE                             
REVDAT   1   12-NOV-14 2MU8    0                                                
JRNL        AUTH   G.CIFUENTES,M.E.PATARROYO,M.URQUIZA,L.E.RAMIREZ,C.REYES,     
JRNL        AUTH 2 R.RODRIGUEZ                                                  
JRNL        TITL   DISTORTING MALARIA PEPTIDE BACKBONE STRUCTURE TO ENABLE      
JRNL        TITL 2 FITTING INTO MHC CLASS II MOLECULES RENDERS MODIFIED         
JRNL        TITL 3 PEPTIDES IMMUNOGENIC AND PROTECTIVE.                         
JRNL        REF    J.MED.CHEM.                   V.  46  2250 2003              
JRNL        REFN                   ISSN 0022-2623                               
JRNL        PMID   12747797                                                     
JRNL        DOI    10.1021/JM020440W                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : TOPSPIN, INSIGHT II II                               
REMARK   3   AUTHORS     : NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MU8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-SEP-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000104051.                                   
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 ATM                        
REMARK 210  SAMPLE CONTENTS                : 10.0 MG/ML, DMSO-D6                
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    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : INSIGHT II II                      
REMARK 210   METHOD USED                   : DGSA-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   3   CD    GLU A   3   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    ARG A  20   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 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   2       77.16     56.45                                   
REMARK 500    ILE A  11      169.41     50.14                                   
REMARK 500    ASN A  12       48.01     74.23                                   
REMARK 500    ALA A  14       68.00   -177.28                                   
REMARK 500    ASN A  16       44.20   -103.98                                   
REMARK 500    SER A  18       65.47     65.48                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25202   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2MU7   RELATED DB: PDB                                   
DBREF  2MU8 A    1    20  PDB    2MU8     2MU8             1     20             
SEQRES   1 A   20  LYS ASN GLU SER LYS TYR SER ASN THR PHE ILE ASN ASN          
SEQRES   2 A   20  ALA TYR ASN MET SER ILE ARG                                  
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     -13.567  -0.335 -10.549  1.00  0.00           N  
ATOM      2  CA  LYS A   1     -12.897  -1.275 -11.490  1.00  0.00           C  
ATOM      3  C   LYS A   1     -11.352  -1.218 -11.303  1.00  0.00           C  
ATOM      4  O   LYS A   1     -10.721  -0.190 -11.569  1.00  0.00           O  
ATOM      5  CB  LYS A   1     -13.366  -1.037 -12.955  1.00  0.00           C  
ATOM      6  CG  LYS A   1     -13.122   0.355 -13.590  1.00  0.00           C  
ATOM      7  CD  LYS A   1     -13.682   0.471 -15.024  1.00  0.00           C  
ATOM      8  CE  LYS A   1     -13.507   1.856 -15.678  1.00  0.00           C  
ATOM      9  NZ  LYS A   1     -12.106   2.168 -16.023  1.00  0.00           N  
ATOM     10  H1  LYS A   1     -13.840   0.613 -10.831  1.00  0.00           H  
ATOM     11  HA  LYS A   1     -13.251  -2.301 -11.256  1.00  0.00           H  
ATOM     12  HB2 LYS A   1     -12.893  -1.804 -13.599  1.00  0.00           H  
ATOM     13  HB3 LYS A   1     -14.449  -1.260 -13.009  1.00  0.00           H  
ATOM     14  HG2 LYS A   1     -13.580   1.138 -12.956  1.00  0.00           H  
ATOM     15  HG3 LYS A   1     -12.039   0.575 -13.604  1.00  0.00           H  
ATOM     16  HD2 LYS A   1     -13.235  -0.309 -15.671  1.00  0.00           H  
ATOM     17  HD3 LYS A   1     -14.764   0.239 -15.001  1.00  0.00           H  
ATOM     18  HE2 LYS A   1     -14.112   1.900 -16.603  1.00  0.00           H  
ATOM     19  HE3 LYS A   1     -13.910   2.648 -15.021  1.00  0.00           H  
ATOM     20  HZ2 LYS A   1     -11.746   1.477 -16.690  1.00  0.00           H  
ATOM     21  HZ3 LYS A   1     -12.056   3.072 -16.507  1.00  0.00           H  
ATOM     22  N   ASN A   2     -10.765  -2.335 -10.818  1.00  0.00           N  
ATOM     23  CA  ASN A   2      -9.302  -2.491 -10.561  1.00  0.00           C  
ATOM     24  C   ASN A   2      -8.749  -1.398  -9.588  1.00  0.00           C  
ATOM     25  O   ASN A   2      -8.106  -0.433 -10.015  1.00  0.00           O  
ATOM     26  CB  ASN A   2      -8.534  -2.658 -11.904  1.00  0.00           C  
ATOM     27  CG  ASN A   2      -7.059  -3.085 -11.769  1.00  0.00           C  
ATOM     28  OD1 ASN A   2      -6.753  -4.240 -11.474  1.00  0.00           O  
ATOM     29  ND2 ASN A   2      -6.122  -2.173 -11.981  1.00  0.00           N  
ATOM     30  H   ASN A   2     -11.393  -3.138 -10.737  1.00  0.00           H  
ATOM     31  HA  ASN A   2      -9.200  -3.464 -10.041  1.00  0.00           H  
ATOM     32  HB2 ASN A   2      -9.037  -3.433 -12.516  1.00  0.00           H  
ATOM     33  HB3 ASN A   2      -8.638  -1.732 -12.499  1.00  0.00           H  
ATOM     34 HD21 ASN A   2      -6.446  -1.228 -12.215  1.00  0.00           H  
ATOM     35 HD22 ASN A   2      -5.149  -2.481 -11.877  1.00  0.00           H  
ATOM     36  N   GLU A   3      -9.019  -1.572  -8.281  1.00  0.00           N  
ATOM     37  CA  GLU A   3      -8.580  -0.636  -7.224  1.00  0.00           C  
ATOM     38  C   GLU A   3      -7.225  -1.104  -6.627  1.00  0.00           C  
ATOM     39  O   GLU A   3      -7.125  -2.192  -6.049  1.00  0.00           O  
ATOM     40  CB  GLU A   3      -9.688  -0.559  -6.142  1.00  0.00           C  
ATOM     41  CG  GLU A   3     -10.993   0.141  -6.590  1.00  0.00           C  
ATOM     42  CD  GLU A   3     -12.051   0.196  -5.486  1.00  0.00           C  
ATOM     43  OE1 GLU A   3     -12.151   1.129  -4.690  1.00  0.00           O  
ATOM     44  OE2 GLU A   3     -12.867  -0.906  -5.494  1.00  0.00           O  
ATOM     45  H   GLU A   3      -9.634  -2.353  -8.041  1.00  0.00           H  
ATOM     46  HA  GLU A   3      -8.479   0.388  -7.642  1.00  0.00           H  
ATOM     47  HB2 GLU A   3      -9.915  -1.562  -5.728  1.00  0.00           H  
ATOM     48  HB3 GLU A   3      -9.274  -0.002  -5.293  1.00  0.00           H  
ATOM     49  HG2 GLU A   3     -10.770   1.171  -6.926  1.00  0.00           H  
ATOM     50  HG3 GLU A   3     -11.417  -0.369  -7.474  1.00  0.00           H  
ATOM     51  HE2 GLU A   3     -12.633  -1.522  -6.191  1.00  0.00           H  
ATOM     52  N   SER A   4      -6.194  -0.253  -6.772  1.00  0.00           N  
ATOM     53  CA  SER A   4      -4.832  -0.527  -6.242  1.00  0.00           C  
ATOM     54  C   SER A   4      -4.731  -0.044  -4.770  1.00  0.00           C  
ATOM     55  O   SER A   4      -4.964   1.132  -4.469  1.00  0.00           O  
ATOM     56  CB  SER A   4      -3.771   0.163  -7.128  1.00  0.00           C  
ATOM     57  OG  SER A   4      -3.744  -0.409  -8.432  1.00  0.00           O  
ATOM     58  H   SER A   4      -6.427   0.627  -7.246  1.00  0.00           H  
ATOM     59  HA  SER A   4      -4.629  -1.616  -6.305  1.00  0.00           H  
ATOM     60  HB2 SER A   4      -3.950   1.252  -7.205  1.00  0.00           H  
ATOM     61  HB3 SER A   4      -2.765   0.052  -6.683  1.00  0.00           H  
ATOM     62  HG  SER A   4      -3.540  -1.338  -8.309  1.00  0.00           H  
ATOM     63  N   LYS A   5      -4.400  -0.979  -3.862  1.00  0.00           N  
ATOM     64  CA  LYS A   5      -4.234  -0.722  -2.430  1.00  0.00           C  
ATOM     65  C   LYS A   5      -2.789  -1.185  -2.105  1.00  0.00           C  
ATOM     66  O   LYS A   5      -2.489  -2.371  -1.917  1.00  0.00           O  
ATOM     67  CB  LYS A   5      -5.277  -1.527  -1.635  1.00  0.00           C  
ATOM     68  CG  LYS A   5      -6.753  -1.056  -1.697  1.00  0.00           C  
ATOM     69  CD  LYS A   5      -7.065   0.376  -1.210  1.00  0.00           C  
ATOM     70  CE  LYS A   5      -6.782   0.623   0.285  1.00  0.00           C  
ATOM     71  NZ  LYS A   5      -7.142   1.996   0.683  1.00  0.00           N  
ATOM     72  H   LYS A   5      -4.005  -1.857  -4.178  1.00  0.00           H  
ATOM     73  HA  LYS A   5      -4.362   0.353  -2.183  1.00  0.00           H  
ATOM     74  HB2 LYS A   5      -5.242  -2.598  -1.919  1.00  0.00           H  
ATOM     75  HB3 LYS A   5      -4.916  -1.499  -0.606  1.00  0.00           H  
ATOM     76  HG2 LYS A   5      -7.111  -1.156  -2.738  1.00  0.00           H  
ATOM     77  HG3 LYS A   5      -7.373  -1.770  -1.121  1.00  0.00           H  
ATOM     78  HD2 LYS A   5      -6.513   1.107  -1.830  1.00  0.00           H  
ATOM     79  HD3 LYS A   5      -8.134   0.578  -1.415  1.00  0.00           H  
ATOM     80  HE2 LYS A   5      -7.349  -0.094   0.908  1.00  0.00           H  
ATOM     81  HE3 LYS A   5      -5.714   0.455   0.512  1.00  0.00           H  
ATOM     82  HZ2 LYS A   5      -6.900   2.150   1.668  1.00  0.00           H  
ATOM     83  HZ3 LYS A   5      -6.583   2.673   0.152  1.00  0.00           H  
ATOM     84  N   TYR A   6      -1.914  -0.183  -2.091  1.00  0.00           N  
ATOM     85  CA  TYR A   6      -0.471  -0.343  -1.770  1.00  0.00           C  
ATOM     86  C   TYR A   6      -0.019   0.875  -0.918  1.00  0.00           C  
ATOM     87  O   TYR A   6       0.691   1.774  -1.387  1.00  0.00           O  
ATOM     88  CB  TYR A   6       0.414  -0.542  -3.042  1.00  0.00           C  
ATOM     89  CG  TYR A   6       0.153  -1.820  -3.863  1.00  0.00           C  
ATOM     90  CD1 TYR A   6       0.730  -3.039  -3.489  1.00  0.00           C  
ATOM     91  CD2 TYR A   6      -0.683  -1.774  -4.985  1.00  0.00           C  
ATOM     92  CE1 TYR A   6       0.469  -4.195  -4.222  1.00  0.00           C  
ATOM     93  CE2 TYR A   6      -0.947  -2.931  -5.714  1.00  0.00           C  
ATOM     94  CZ  TYR A   6      -0.369  -4.141  -5.334  1.00  0.00           C  
ATOM     95  OH  TYR A   6      -0.624  -5.279  -6.057  1.00  0.00           O  
ATOM     96  H   TYR A   6      -2.432   0.694  -2.048  1.00  0.00           H  
ATOM     97  HA  TYR A   6      -0.335  -1.239  -1.132  1.00  0.00           H  
ATOM     98  HB2 TYR A   6       0.328   0.348  -3.695  1.00  0.00           H  
ATOM     99  HB3 TYR A   6       1.478  -0.541  -2.737  1.00  0.00           H  
ATOM    100  HD1 TYR A   6       1.381  -3.097  -2.629  1.00  0.00           H  
ATOM    101  HD2 TYR A   6      -1.144  -0.844  -5.285  1.00  0.00           H  
ATOM    102  HE1 TYR A   6       0.919  -5.131  -3.926  1.00  0.00           H  
ATOM    103  HE2 TYR A   6      -1.599  -2.885  -6.574  1.00  0.00           H  
ATOM    104  HH  TYR A   6      -0.140  -6.011  -5.670  1.00  0.00           H  
ATOM    105  N   SER A   7      -0.495   0.893   0.349  1.00  0.00           N  
ATOM    106  CA  SER A   7      -0.165   1.932   1.371  1.00  0.00           C  
ATOM    107  C   SER A   7      -0.319   3.395   0.872  1.00  0.00           C  
ATOM    108  O   SER A   7       0.637   4.172   0.861  1.00  0.00           O  
ATOM    109  CB  SER A   7       1.197   1.625   2.046  1.00  0.00           C  
ATOM    110  OG  SER A   7       2.295   1.758   1.147  1.00  0.00           O  
ATOM    111  H   SER A   7      -1.446   0.505   0.340  1.00  0.00           H  
ATOM    112  HA  SER A   7      -0.919   1.809   2.172  1.00  0.00           H  
ATOM    113  HB2 SER A   7       1.356   2.303   2.904  1.00  0.00           H  
ATOM    114  HB3 SER A   7       1.203   0.606   2.475  1.00  0.00           H  
ATOM    115  HG  SER A   7       3.084   1.574   1.663  1.00  0.00           H  
ATOM    116  N   ASN A   8      -1.543   3.734   0.420  1.00  0.00           N  
ATOM    117  CA  ASN A   8      -1.929   5.064  -0.113  1.00  0.00           C  
ATOM    118  C   ASN A   8      -0.968   5.687  -1.154  1.00  0.00           C  
ATOM    119  O   ASN A   8      -0.599   6.864  -1.126  1.00  0.00           O  
ATOM    120  CB  ASN A   8      -2.366   5.908   1.104  1.00  0.00           C  
ATOM    121  CG  ASN A   8      -3.337   7.054   0.787  1.00  0.00           C  
ATOM    122  OD1 ASN A   8      -2.994   8.235   0.823  1.00  0.00           O  
ATOM    123  ND2 ASN A   8      -4.571   6.692   0.470  1.00  0.00           N  
ATOM    124  H   ASN A   8      -2.253   3.012   0.423  1.00  0.00           H  
ATOM    125  HA  ASN A   8      -2.825   4.883  -0.741  1.00  0.00           H  
ATOM    126  HB2 ASN A   8      -2.864   5.225   1.827  1.00  0.00           H  
ATOM    127  HB3 ASN A   8      -1.474   6.282   1.634  1.00  0.00           H  
ATOM    128 HD21 ASN A   8      -4.694   5.672   0.385  1.00  0.00           H  
ATOM    129 HD22 ASN A   8      -5.230   7.433   0.206  1.00  0.00           H  
ATOM    130  N   THR A   9      -0.640   4.791  -2.100  1.00  0.00           N  
ATOM    131  CA  THR A   9       0.223   5.053  -3.274  1.00  0.00           C  
ATOM    132  C   THR A   9       1.677   5.512  -2.910  1.00  0.00           C  
ATOM    133  O   THR A   9       2.214   6.497  -3.421  1.00  0.00           O  
ATOM    134  CB  THR A   9      -0.622   5.902  -4.273  1.00  0.00           C  
ATOM    135  OG1 THR A   9      -1.864   5.258  -4.564  1.00  0.00           O  
ATOM    136  CG2 THR A   9       0.025   6.168  -5.627  1.00  0.00           C  
ATOM    137  H   THR A   9      -0.860   3.835  -1.781  1.00  0.00           H  
ATOM    138  HA  THR A   9       0.375   4.063  -3.739  1.00  0.00           H  
ATOM    139  HB  THR A   9      -0.852   6.862  -3.783  1.00  0.00           H  
ATOM    140  HG1 THR A   9      -1.638   4.435  -5.004  1.00  0.00           H  
ATOM    141 HG21 THR A   9       0.288   5.217  -6.123  1.00  0.00           H  
ATOM    142 HG22 THR A   9       0.934   6.782  -5.527  1.00  0.00           H  
ATOM    143 HG23 THR A   9      -0.678   6.716  -6.279  1.00  0.00           H  
ATOM    144  N   PHE A  10       2.291   4.722  -2.013  1.00  0.00           N  
ATOM    145  CA  PHE A  10       3.689   4.888  -1.520  1.00  0.00           C  
ATOM    146  C   PHE A  10       4.596   3.604  -1.517  1.00  0.00           C  
ATOM    147  O   PHE A  10       5.748   3.619  -1.076  1.00  0.00           O  
ATOM    148  CB  PHE A  10       3.593   5.458  -0.090  1.00  0.00           C  
ATOM    149  CG  PHE A  10       2.932   6.841   0.142  1.00  0.00           C  
ATOM    150  CD1 PHE A  10       3.252   7.942  -0.664  1.00  0.00           C  
ATOM    151  CD2 PHE A  10       1.986   6.998   1.161  1.00  0.00           C  
ATOM    152  CE1 PHE A  10       2.599   9.159  -0.485  1.00  0.00           C  
ATOM    153  CE2 PHE A  10       1.335   8.216   1.340  1.00  0.00           C  
ATOM    154  CZ  PHE A  10       1.639   9.294   0.513  1.00  0.00           C  
ATOM    155  H   PHE A  10       1.655   4.124  -1.480  1.00  0.00           H  
ATOM    156  HA  PHE A  10       4.227   5.548  -2.205  1.00  0.00           H  
ATOM    157  HB2 PHE A  10       3.093   4.655   0.488  1.00  0.00           H  
ATOM    158  HB3 PHE A  10       4.608   5.513   0.306  1.00  0.00           H  
ATOM    159  HD1 PHE A  10       3.987   7.853  -1.450  1.00  0.00           H  
ATOM    160  HD2 PHE A  10       1.743   6.181   1.821  1.00  0.00           H  
ATOM    161  HE1 PHE A  10       2.837   9.998  -1.123  1.00  0.00           H  
ATOM    162  HE2 PHE A  10       0.595   8.324   2.120  1.00  0.00           H  
ATOM    163  HZ  PHE A  10       1.133  10.238   0.650  1.00  0.00           H  
ATOM    164  N   ILE A  11       4.021   2.532  -2.057  1.00  0.00           N  
ATOM    165  CA  ILE A  11       4.581   1.177  -2.277  1.00  0.00           C  
ATOM    166  C   ILE A  11       5.278   0.494  -1.044  1.00  0.00           C  
ATOM    167  O   ILE A  11       5.491   1.066   0.029  1.00  0.00           O  
ATOM    168  CB  ILE A  11       5.245   1.261  -3.708  1.00  0.00           C  
ATOM    169  CG1 ILE A  11       4.213   1.303  -4.889  1.00  0.00           C  
ATOM    170  CG2 ILE A  11       6.276   0.167  -4.075  1.00  0.00           C  
ATOM    171  CD1 ILE A  11       3.180   2.440  -4.990  1.00  0.00           C  
ATOM    172  H   ILE A  11       3.466   2.977  -2.791  1.00  0.00           H  
ATOM    173  HA  ILE A  11       3.686   0.540  -2.426  1.00  0.00           H  
ATOM    174  HB  ILE A  11       5.814   2.199  -3.726  1.00  0.00           H  
ATOM    175 HG12 ILE A  11       4.782   1.394  -5.820  1.00  0.00           H  
ATOM    176 HG13 ILE A  11       3.676   0.337  -4.943  1.00  0.00           H  
ATOM    177 HG21 ILE A  11       5.825  -0.843  -4.088  1.00  0.00           H  
ATOM    178 HG22 ILE A  11       6.728   0.336  -5.070  1.00  0.00           H  
ATOM    179 HG23 ILE A  11       7.117   0.148  -3.363  1.00  0.00           H  
ATOM    180 HD11 ILE A  11       3.654   3.435  -4.890  1.00  0.00           H  
ATOM    181 HD12 ILE A  11       2.664   2.422  -5.967  1.00  0.00           H  
ATOM    182 HD13 ILE A  11       2.393   2.359  -4.217  1.00  0.00           H  
ATOM    183  N   ASN A  12       5.557  -0.801  -1.245  1.00  0.00           N  
ATOM    184  CA  ASN A  12       6.204  -1.739  -0.269  1.00  0.00           C  
ATOM    185  C   ASN A  12       5.217  -2.157   0.872  1.00  0.00           C  
ATOM    186  O   ASN A  12       5.561  -2.201   2.057  1.00  0.00           O  
ATOM    187  CB  ASN A  12       7.606  -1.297   0.260  1.00  0.00           C  
ATOM    188  CG  ASN A  12       8.726  -1.191  -0.792  1.00  0.00           C  
ATOM    189  OD1 ASN A  12       9.415  -2.164  -1.096  1.00  0.00           O  
ATOM    190  ND2 ASN A  12       8.936  -0.011  -1.351  1.00  0.00           N  
ATOM    191  H   ASN A  12       5.354  -1.072  -2.212  1.00  0.00           H  
ATOM    192  HA  ASN A  12       6.355  -2.672  -0.841  1.00  0.00           H  
ATOM    193  HB2 ASN A  12       7.521  -0.355   0.836  1.00  0.00           H  
ATOM    194  HB3 ASN A  12       7.952  -2.034   1.010  1.00  0.00           H  
ATOM    195 HD21 ASN A  12       8.225   0.704  -1.157  1.00  0.00           H  
ATOM    196 HD22 ASN A  12       9.671   0.033  -2.066  1.00  0.00           H  
ATOM    197  N   ASN A  13       4.000  -2.553   0.450  1.00  0.00           N  
ATOM    198  CA  ASN A  13       2.901  -2.980   1.320  1.00  0.00           C  
ATOM    199  C   ASN A  13       2.915  -4.512   1.580  1.00  0.00           C  
ATOM    200  O   ASN A  13       2.345  -5.282   0.799  1.00  0.00           O  
ATOM    201  CB  ASN A  13       1.580  -2.446   0.694  1.00  0.00           C  
ATOM    202  CG  ASN A  13       0.331  -2.571   1.589  1.00  0.00           C  
ATOM    203  OD1 ASN A  13       0.180  -1.857   2.580  1.00  0.00           O  
ATOM    204  ND2 ASN A  13      -0.584  -3.469   1.258  1.00  0.00           N  
ATOM    205  H   ASN A  13       3.812  -2.235  -0.490  1.00  0.00           H  
ATOM    206  HA  ASN A  13       3.041  -2.411   2.236  1.00  0.00           H  
ATOM    207  HB2 ASN A  13       1.687  -1.368   0.462  1.00  0.00           H  
ATOM    208  HB3 ASN A  13       1.408  -2.921  -0.292  1.00  0.00           H  
ATOM    209 HD21 ASN A  13      -0.381  -4.049   0.437  1.00  0.00           H  
ATOM    210 HD22 ASN A  13      -1.396  -3.548   1.880  1.00  0.00           H  
ATOM    211  N   ALA A  14       3.593  -4.928   2.667  1.00  0.00           N  
ATOM    212  CA  ALA A  14       3.682  -6.339   3.112  1.00  0.00           C  
ATOM    213  C   ALA A  14       4.493  -6.409   4.442  1.00  0.00           C  
ATOM    214  O   ALA A  14       5.605  -6.947   4.485  1.00  0.00           O  
ATOM    215  CB  ALA A  14       4.238  -7.325   2.050  1.00  0.00           C  
ATOM    216  H   ALA A  14       3.757  -4.202   3.363  1.00  0.00           H  
ATOM    217  HA  ALA A  14       2.647  -6.625   3.347  1.00  0.00           H  
ATOM    218  HB1 ALA A  14       5.244  -7.031   1.698  1.00  0.00           H  
ATOM    219  HB2 ALA A  14       3.587  -7.400   1.160  1.00  0.00           H  
ATOM    220  HB3 ALA A  14       4.320  -8.351   2.456  1.00  0.00           H  
ATOM    221  N   TYR A  15       3.924  -5.864   5.547  1.00  0.00           N  
ATOM    222  CA  TYR A  15       4.514  -5.828   6.907  1.00  0.00           C  
ATOM    223  C   TYR A  15       5.957  -5.254   6.949  1.00  0.00           C  
ATOM    224  O   TYR A  15       6.927  -5.906   7.346  1.00  0.00           O  
ATOM    225  CB  TYR A  15       4.211  -7.192   7.562  1.00  0.00           C  
ATOM    226  CG  TYR A  15       4.355  -7.238   9.093  1.00  0.00           C  
ATOM    227  CD1 TYR A  15       3.331  -6.745   9.911  1.00  0.00           C  
ATOM    228  CD2 TYR A  15       5.502  -7.778   9.685  1.00  0.00           C  
ATOM    229  CE1 TYR A  15       3.455  -6.788  11.298  1.00  0.00           C  
ATOM    230  CE2 TYR A  15       5.625  -7.821  11.072  1.00  0.00           C  
ATOM    231  CZ  TYR A  15       4.601  -7.327  11.879  1.00  0.00           C  
ATOM    232  OH  TYR A  15       4.720  -7.372  13.245  1.00  0.00           O  
ATOM    233  H   TYR A  15       3.046  -5.372   5.457  1.00  0.00           H  
ATOM    234  HA  TYR A  15       3.892  -5.099   7.467  1.00  0.00           H  
ATOM    235  HB2 TYR A  15       3.154  -7.414   7.291  1.00  0.00           H  
ATOM    236  HB3 TYR A  15       4.819  -7.981   7.077  1.00  0.00           H  
ATOM    237  HD1 TYR A  15       2.436  -6.322   9.475  1.00  0.00           H  
ATOM    238  HD2 TYR A  15       6.305  -8.165   9.073  1.00  0.00           H  
ATOM    239  HE1 TYR A  15       2.659  -6.403  11.920  1.00  0.00           H  
ATOM    240  HE2 TYR A  15       6.515  -8.239  11.520  1.00  0.00           H  
ATOM    241  HH  TYR A  15       3.926  -7.004  13.640  1.00  0.00           H  
ATOM    242  N   ASN A  16       6.014  -3.993   6.497  1.00  0.00           N  
ATOM    243  CA  ASN A  16       7.261  -3.184   6.415  1.00  0.00           C  
ATOM    244  C   ASN A  16       7.392  -2.105   7.535  1.00  0.00           C  
ATOM    245  O   ASN A  16       7.814  -0.964   7.325  1.00  0.00           O  
ATOM    246  CB  ASN A  16       7.321  -2.638   4.960  1.00  0.00           C  
ATOM    247  CG  ASN A  16       8.742  -2.325   4.462  1.00  0.00           C  
ATOM    248  OD1 ASN A  16       9.149  -1.167   4.369  1.00  0.00           O  
ATOM    249  ND2 ASN A  16       9.529  -3.348   4.161  1.00  0.00           N  
ATOM    250  H   ASN A  16       5.093  -3.659   6.206  1.00  0.00           H  
ATOM    251  HA  ASN A  16       8.123  -3.855   6.577  1.00  0.00           H  
ATOM    252  HB2 ASN A  16       6.831  -3.346   4.261  1.00  0.00           H  
ATOM    253  HB3 ASN A  16       6.705  -1.726   4.872  1.00  0.00           H  
ATOM    254 HD21 ASN A  16       9.135  -4.284   4.308  1.00  0.00           H  
ATOM    255 HD22 ASN A  16      10.519  -3.124   4.038  1.00  0.00           H  
ATOM    256  N   MET A  17       7.060  -2.571   8.749  1.00  0.00           N  
ATOM    257  CA  MET A  17       7.111  -1.828  10.037  1.00  0.00           C  
ATOM    258  C   MET A  17       6.216  -0.553  10.032  1.00  0.00           C  
ATOM    259  O   MET A  17       6.703   0.582  10.067  1.00  0.00           O  
ATOM    260  CB  MET A  17       8.598  -1.655  10.451  1.00  0.00           C  
ATOM    261  CG  MET A  17       8.859  -1.024  11.829  1.00  0.00           C  
ATOM    262  SD  MET A  17       8.064  -2.005  13.120  1.00  0.00           S  
ATOM    263  CE  MET A  17       8.444  -1.012  14.577  1.00  0.00           C  
ATOM    264  H   MET A  17       6.456  -3.376   8.574  1.00  0.00           H  
ATOM    265  HA  MET A  17       6.667  -2.508  10.791  1.00  0.00           H  
ATOM    266  HB2 MET A  17       9.111  -2.638  10.435  1.00  0.00           H  
ATOM    267  HB3 MET A  17       9.092  -1.075   9.657  1.00  0.00           H  
ATOM    268  HG2 MET A  17       9.946  -0.975  12.024  1.00  0.00           H  
ATOM    269  HG3 MET A  17       8.488   0.016  11.869  1.00  0.00           H  
ATOM    270  HE1 MET A  17       8.024  -1.482  15.485  1.00  0.00           H  
ATOM    271  HE2 MET A  17       8.014   0.002  14.486  1.00  0.00           H  
ATOM    272  HE3 MET A  17       9.536  -0.916  14.715  1.00  0.00           H  
ATOM    273  N   SER A  18       4.888  -0.792   9.977  1.00  0.00           N  
ATOM    274  CA  SER A  18       3.839   0.280   9.958  1.00  0.00           C  
ATOM    275  C   SER A  18       3.919   1.134   8.658  1.00  0.00           C  
ATOM    276  O   SER A  18       4.214   2.334   8.684  1.00  0.00           O  
ATOM    277  CB  SER A  18       3.790   1.122  11.261  1.00  0.00           C  
ATOM    278  OG  SER A  18       3.469   0.308  12.382  1.00  0.00           O  
ATOM    279  H   SER A  18       4.716  -1.741   9.611  1.00  0.00           H  
ATOM    280  HA  SER A  18       2.851  -0.226   9.928  1.00  0.00           H  
ATOM    281  HB2 SER A  18       4.747   1.645  11.446  1.00  0.00           H  
ATOM    282  HB3 SER A  18       3.025   1.916  11.178  1.00  0.00           H  
ATOM    283  HG  SER A  18       3.467   0.893  13.143  1.00  0.00           H  
ATOM    284  N   ILE A  19       3.636   0.470   7.522  1.00  0.00           N  
ATOM    285  CA  ILE A  19       3.657   1.100   6.171  1.00  0.00           C  
ATOM    286  C   ILE A  19       2.227   1.630   5.838  1.00  0.00           C  
ATOM    287  O   ILE A  19       1.334   0.866   5.457  1.00  0.00           O  
ATOM    288  CB  ILE A  19       4.316   0.122   5.130  1.00  0.00           C  
ATOM    289  CG1 ILE A  19       4.580   0.767   3.739  1.00  0.00           C  
ATOM    290  CG2 ILE A  19       3.581  -1.232   4.930  1.00  0.00           C  
ATOM    291  CD1 ILE A  19       5.599   1.915   3.710  1.00  0.00           C  
ATOM    292  H   ILE A  19       3.538  -0.544   7.662  1.00  0.00           H  
ATOM    293  HA  ILE A  19       4.349   1.966   6.215  1.00  0.00           H  
ATOM    294  HB  ILE A  19       5.310  -0.136   5.543  1.00  0.00           H  
ATOM    295 HG12 ILE A  19       4.948   0.001   3.036  1.00  0.00           H  
ATOM    296 HG13 ILE A  19       3.629   1.118   3.305  1.00  0.00           H  
ATOM    297 HG21 ILE A  19       4.178  -1.933   4.320  1.00  0.00           H  
ATOM    298 HG22 ILE A  19       3.392  -1.747   5.889  1.00  0.00           H  
ATOM    299 HG23 ILE A  19       2.605  -1.113   4.424  1.00  0.00           H  
ATOM    300 HD11 ILE A  19       5.249   2.795   4.280  1.00  0.00           H  
ATOM    301 HD12 ILE A  19       6.574   1.606   4.131  1.00  0.00           H  
ATOM    302 HD13 ILE A  19       5.782   2.253   2.674  1.00  0.00           H  
ATOM    303  N   ARG A  20       2.033   2.950   6.020  1.00  0.00           N  
ATOM    304  CA  ARG A  20       0.739   3.641   5.759  1.00  0.00           C  
ATOM    305  C   ARG A  20       0.897   4.697   4.632  1.00  0.00           C  
ATOM    306  O   ARG A  20       1.978   5.189   4.300  1.00  0.00           O  
ATOM    307  CB  ARG A  20       0.215   4.351   7.039  1.00  0.00           C  
ATOM    308  CG  ARG A  20      -0.390   3.480   8.169  1.00  0.00           C  
ATOM    309  CD  ARG A  20       0.618   2.686   9.031  1.00  0.00           C  
ATOM    310  NE  ARG A  20       0.000   2.098  10.246  1.00  0.00           N  
ATOM    311  CZ  ARG A  20      -0.037   2.687  11.460  1.00  0.00           C  
ATOM    312  NH1 ARG A  20       0.469   3.891  11.719  1.00  0.00           N  
ATOM    313  NH2 ARG A  20      -0.613   2.031  12.451  1.00  0.00           N  
ATOM    314  H   ARG A  20       2.860   3.464   6.343  1.00  0.00           H  
ATOM    315  HA  ARG A  20      -0.033   2.911   5.439  1.00  0.00           H  
ATOM    316  HB2 ARG A  20       0.993   5.018   7.458  1.00  0.00           H  
ATOM    317  HB3 ARG A  20      -0.593   5.043   6.731  1.00  0.00           H  
ATOM    318  HG2 ARG A  20      -0.957   4.162   8.833  1.00  0.00           H  
ATOM    319  HG3 ARG A  20      -1.150   2.795   7.749  1.00  0.00           H  
ATOM    320  HD2 ARG A  20       1.029   1.854   8.434  1.00  0.00           H  
ATOM    321  HD3 ARG A  20       1.492   3.313   9.291  1.00  0.00           H  
ATOM    322 HH11 ARG A  20       0.908   4.383  10.934  1.00  0.00           H  
ATOM    323 HH12 ARG A  20       0.374   4.232  12.683  1.00  0.00           H  
ATOM    324 HH21 ARG A  20      -0.997   1.106  12.229  1.00  0.00           H  
ATOM    325 HH22 ARG A  20      -0.631   2.502  13.362  1.00  0.00           H  
TER     326      ARG A  20                                                      
MASTER      131    0    0    0    0    0    0    6  167    1    0    2          
END