HEADER    CELL INVASION                           04-SEP-14   2MU7              
TITLE     SHORTENING AND MODIFYING THE 1513 MSP-1 PEPTIDE'S ALPHA-HELICAL REGION
TITLE    2 INDUCES PROTECTION AGAINST MALARIA                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: 1513 MSP-1 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                                                 
KEYWDS    MSP-1 PROTEIN, CELL INVASION                                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    F.ESPEJO,A.BERMUDEZ,E.TORRES,M.URQUIZA,R.RODRIGUEZ,Y.LOPEZ,           
AUTHOR   2 M.PATARROYO                                                          
REVDAT   2   14-JUN-23 2MU7    1       REMARK                                   
REVDAT   1   12-NOV-14 2MU7    0                                                
JRNL        AUTH   F.ESPEJO,A.BERMUDEZ,E.TORRES,M.URQUIZA,R.RODRIGUEZ,Y.LOPEZ,  
JRNL        AUTH 2 M.E.PATARROYO                                                
JRNL        TITL   SHORTENING AND MODIFYING THE 1513 MSP-1 PEPTIDE'S            
JRNL        TITL 2 ALPHA-HELICAL REGION INDUCES PROTECTION AGAINST MALARIA.     
JRNL        REF    BIOCHEM.BIOPHYS.RES.COMMUN.   V. 315   418 2004              
JRNL        REFN                   ISSN 0006-291X                               
JRNL        PMID   14766224                                                     
JRNL        DOI    10.1016/J.BBRC.2004.01.072                                   
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 2MU7 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_1000104050.                                   
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 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                   : DGSA-DISTANCE GEOMETRY SIMULATED   
REMARK 210                                   ANNEALING, SIMULATED 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   8   CD    GLU A   8   OE2     0.120                       
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: 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    LEU A   4      -80.58   -167.84                                   
REMARK 500    THR A  19       92.84     60.00                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25201   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2MU8   RELATED DB: PDB                                   
DBREF  2MU7 A    1    20  PDB    2MU7     2MU7             1     20             
SEQRES   1 A   20  GLY TYR SER LEU PHE GLN LYS GLU LYS MET VAL LEU ASN          
SEQRES   2 A   20  GLU GLY THR SER GLY THR ALA                                  
HELIX    1   1 GLY A    1  GLY A   15  1                                  15    
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   GLY A   1      14.220  -4.110  -1.377  1.00  0.00           N  
ATOM      2  CA  GLY A   1      13.723  -4.024   0.015  1.00  0.00           C  
ATOM      3  C   GLY A   1      12.183  -4.034   0.114  1.00  0.00           C  
ATOM      4  O   GLY A   1      11.499  -3.308  -0.616  1.00  0.00           O  
ATOM      5  H1  GLY A   1      14.436  -3.275  -1.932  1.00  0.00           H  
ATOM      6  HA2 GLY A   1      14.187  -4.815   0.639  1.00  0.00           H  
ATOM      7  HA3 GLY A   1      14.087  -3.076   0.452  1.00  0.00           H  
ATOM      8  N   TYR A   2      11.648  -4.843   1.050  1.00  0.00           N  
ATOM      9  CA  TYR A   2      10.186  -4.959   1.287  1.00  0.00           C  
ATOM     10  C   TYR A   2       9.556  -3.663   1.906  1.00  0.00           C  
ATOM     11  O   TYR A   2       8.563  -3.187   1.353  1.00  0.00           O  
ATOM     12  CB  TYR A   2       9.836  -6.278   2.064  1.00  0.00           C  
ATOM     13  CG  TYR A   2       8.336  -6.636   2.060  1.00  0.00           C  
ATOM     14  CD1 TYR A   2       7.801  -7.410   1.024  1.00  0.00           C  
ATOM     15  CD2 TYR A   2       7.496  -6.202   3.093  1.00  0.00           C  
ATOM     16  CE1 TYR A   2       6.451  -7.751   1.024  1.00  0.00           C  
ATOM     17  CE2 TYR A   2       6.144  -6.537   3.087  1.00  0.00           C  
ATOM     18  CZ  TYR A   2       5.622  -7.315   2.056  1.00  0.00           C  
ATOM     19  OH  TYR A   2       4.291  -7.645   2.050  1.00  0.00           O  
ATOM     20  H   TYR A   2      12.313  -5.399   1.581  1.00  0.00           H  
ATOM     21  HA  TYR A   2       9.764  -5.059   0.274  1.00  0.00           H  
ATOM     22  HB2 TYR A   2      10.383  -7.163   1.665  1.00  0.00           H  
ATOM     23  HB3 TYR A   2      10.205  -6.221   3.105  1.00  0.00           H  
ATOM     24  HD1 TYR A   2       8.431  -7.755   0.215  1.00  0.00           H  
ATOM     25  HD2 TYR A   2       7.887  -5.601   3.902  1.00  0.00           H  
ATOM     26  HE1 TYR A   2       6.048  -8.350   0.220  1.00  0.00           H  
ATOM     27  HE2 TYR A   2       5.502  -6.194   3.886  1.00  0.00           H  
ATOM     28  HH  TYR A   2       4.102  -8.172   1.270  1.00  0.00           H  
ATOM     29  N   SER A   3      10.145  -3.062   2.972  1.00  0.00           N  
ATOM     30  CA  SER A   3       9.644  -1.799   3.563  1.00  0.00           C  
ATOM     31  C   SER A   3      10.420  -0.629   2.878  1.00  0.00           C  
ATOM     32  O   SER A   3      11.245   0.073   3.470  1.00  0.00           O  
ATOM     33  CB  SER A   3       9.783  -1.850   5.101  1.00  0.00           C  
ATOM     34  OG  SER A   3       9.185  -0.700   5.690  1.00  0.00           O  
ATOM     35  H   SER A   3      11.126  -2.941   2.745  1.00  0.00           H  
ATOM     36  HA  SER A   3       8.576  -1.710   3.331  1.00  0.00           H  
ATOM     37  HB2 SER A   3       9.294  -2.752   5.516  1.00  0.00           H  
ATOM     38  HB3 SER A   3      10.845  -1.909   5.412  1.00  0.00           H  
ATOM     39  HG  SER A   3       9.656   0.056   5.332  1.00  0.00           H  
ATOM     40  N   LEU A   4      10.079  -0.463   1.586  1.00  0.00           N  
ATOM     41  CA  LEU A   4      10.691   0.490   0.636  1.00  0.00           C  
ATOM     42  C   LEU A   4       9.796   0.560  -0.631  1.00  0.00           C  
ATOM     43  O   LEU A   4       8.991   1.489  -0.756  1.00  0.00           O  
ATOM     44  CB  LEU A   4      12.186   0.092   0.451  1.00  0.00           C  
ATOM     45  CG  LEU A   4      13.010   0.729  -0.703  1.00  0.00           C  
ATOM     46  CD1 LEU A   4      13.197   2.247  -0.512  1.00  0.00           C  
ATOM     47  CD2 LEU A   4      14.373   0.030  -0.855  1.00  0.00           C  
ATOM     48  H   LEU A   4       9.402  -1.168   1.306  1.00  0.00           H  
ATOM     49  HA  LEU A   4      10.610   1.475   1.071  1.00  0.00           H  
ATOM     50  HB2 LEU A   4      12.742   0.219   1.382  1.00  0.00           H  
ATOM     51  HB3 LEU A   4      12.193  -0.994   0.432  1.00  0.00           H  
ATOM     52  HG  LEU A   4      12.473   0.577  -1.656  1.00  0.00           H  
ATOM     53 HD11 LEU A   4      12.226   2.774  -0.466  1.00  0.00           H  
ATOM     54 HD12 LEU A   4      13.744   2.485   0.420  1.00  0.00           H  
ATOM     55 HD13 LEU A   4      13.762   2.698  -1.350  1.00  0.00           H  
ATOM     56 HD21 LEU A   4      14.989   0.111   0.060  1.00  0.00           H  
ATOM     57 HD22 LEU A   4      14.962   0.457  -1.688  1.00  0.00           H  
ATOM     58 HD23 LEU A   4      14.253  -1.048  -1.073  1.00  0.00           H  
ATOM     59  N   PHE A   5       9.916  -0.411  -1.556  1.00  0.00           N  
ATOM     60  CA  PHE A   5       9.080  -0.535  -2.769  1.00  0.00           C  
ATOM     61  C   PHE A   5       7.607  -0.864  -2.385  1.00  0.00           C  
ATOM     62  O   PHE A   5       6.690  -0.191  -2.865  1.00  0.00           O  
ATOM     63  CB  PHE A   5       9.698  -1.576  -3.761  1.00  0.00           C  
ATOM     64  CG  PHE A   5      11.097  -1.222  -4.308  1.00  0.00           C  
ATOM     65  CD1 PHE A   5      11.245  -0.239  -5.294  1.00  0.00           C  
ATOM     66  CD2 PHE A   5      12.236  -1.855  -3.797  1.00  0.00           C  
ATOM     67  CE1 PHE A   5      12.513   0.111  -5.752  1.00  0.00           C  
ATOM     68  CE2 PHE A   5      13.502  -1.502  -4.254  1.00  0.00           C  
ATOM     69  CZ  PHE A   5      13.640  -0.519  -5.231  1.00  0.00           C  
ATOM     70  H   PHE A   5      10.658  -1.078  -1.420  1.00  0.00           H  
ATOM     71  HA  PHE A   5       9.110   0.469  -3.229  1.00  0.00           H  
ATOM     72  HB2 PHE A   5       9.702  -2.595  -3.322  1.00  0.00           H  
ATOM     73  HB3 PHE A   5       9.021  -1.717  -4.616  1.00  0.00           H  
ATOM     74  HD1 PHE A   5      10.379   0.266  -5.699  1.00  0.00           H  
ATOM     75  HD2 PHE A   5      12.146  -2.617  -3.036  1.00  0.00           H  
ATOM     76  HE1 PHE A   5      12.622   0.875  -6.508  1.00  0.00           H  
ATOM     77  HE2 PHE A   5      14.378  -1.988  -3.850  1.00  0.00           H  
ATOM     78  HZ  PHE A   5      14.623  -0.244  -5.584  1.00  0.00           H  
ATOM     79  N   GLN A   6       7.399  -1.864  -1.500  1.00  0.00           N  
ATOM     80  CA  GLN A   6       6.082  -2.172  -0.912  1.00  0.00           C  
ATOM     81  C   GLN A   6       5.675  -1.229   0.265  1.00  0.00           C  
ATOM     82  O   GLN A   6       4.496  -1.255   0.625  1.00  0.00           O  
ATOM     83  CB  GLN A   6       6.175  -3.629  -0.393  1.00  0.00           C  
ATOM     84  CG  GLN A   6       5.025  -4.576  -0.809  1.00  0.00           C  
ATOM     85  CD  GLN A   6       3.639  -4.222  -0.234  1.00  0.00           C  
ATOM     86  OE1 GLN A   6       2.819  -3.580  -0.889  1.00  0.00           O  
ATOM     87  NE2 GLN A   6       3.347  -4.627   0.993  1.00  0.00           N  
ATOM     88  H   GLN A   6       8.208  -2.374  -1.105  1.00  0.00           H  
ATOM     89  HA  GLN A   6       5.312  -2.102  -1.705  1.00  0.00           H  
ATOM     90  HB2 GLN A   6       7.147  -4.061  -0.670  1.00  0.00           H  
ATOM     91  HB3 GLN A   6       6.290  -3.629   0.697  1.00  0.00           H  
ATOM     92  HG2 GLN A   6       4.959  -4.604  -1.913  1.00  0.00           H  
ATOM     93  HG3 GLN A   6       5.289  -5.611  -0.526  1.00  0.00           H  
ATOM     94 HE21 GLN A   6       4.073  -5.159   1.486  1.00  0.00           H  
ATOM     95 HE22 GLN A   6       2.417  -4.380   1.350  1.00  0.00           H  
ATOM     96  N   LYS A   7       6.595  -0.431   0.879  1.00  0.00           N  
ATOM     97  CA  LYS A   7       6.245   0.527   1.962  1.00  0.00           C  
ATOM     98  C   LYS A   7       5.105   1.512   1.536  1.00  0.00           C  
ATOM     99  O   LYS A   7       4.086   1.626   2.220  1.00  0.00           O  
ATOM    100  CB  LYS A   7       7.461   1.255   2.556  1.00  0.00           C  
ATOM    101  CG  LYS A   7       7.220   2.302   3.660  1.00  0.00           C  
ATOM    102  CD  LYS A   7       8.532   2.855   4.249  1.00  0.00           C  
ATOM    103  CE  LYS A   7       8.294   3.891   5.362  1.00  0.00           C  
ATOM    104  NZ  LYS A   7       9.567   4.398   5.906  1.00  0.00           N  
ATOM    105  H   LYS A   7       7.522  -0.415   0.441  1.00  0.00           H  
ATOM    106  HA  LYS A   7       5.996  -0.124   2.789  1.00  0.00           H  
ATOM    107  HB2 LYS A   7       8.102   0.488   3.008  1.00  0.00           H  
ATOM    108  HB3 LYS A   7       8.025   1.693   1.736  1.00  0.00           H  
ATOM    109  HG2 LYS A   7       6.618   3.131   3.245  1.00  0.00           H  
ATOM    110  HG3 LYS A   7       6.610   1.840   4.458  1.00  0.00           H  
ATOM    111  HD2 LYS A   7       9.139   2.016   4.645  1.00  0.00           H  
ATOM    112  HD3 LYS A   7       9.136   3.307   3.439  1.00  0.00           H  
ATOM    113  HE2 LYS A   7       7.702   4.742   4.977  1.00  0.00           H  
ATOM    114  HE3 LYS A   7       7.703   3.446   6.184  1.00  0.00           H  
ATOM    115  HZ2 LYS A   7      10.098   4.877   5.171  1.00  0.00           H  
ATOM    116  HZ3 LYS A   7       9.384   5.109   6.623  1.00  0.00           H  
ATOM    117  N   GLU A   8       5.308   2.178   0.384  1.00  0.00           N  
ATOM    118  CA  GLU A   8       4.358   3.084  -0.266  1.00  0.00           C  
ATOM    119  C   GLU A   8       3.149   2.406  -0.980  1.00  0.00           C  
ATOM    120  O   GLU A   8       2.075   3.013  -1.012  1.00  0.00           O  
ATOM    121  CB  GLU A   8       5.308   3.832  -1.248  1.00  0.00           C  
ATOM    122  CG  GLU A   8       5.643   5.271  -0.833  1.00  0.00           C  
ATOM    123  CD  GLU A   8       4.608   6.302  -1.293  1.00  0.00           C  
ATOM    124  OE1 GLU A   8       4.703   6.933  -2.345  1.00  0.00           O  
ATOM    125  OE2 GLU A   8       3.574   6.434  -0.401  1.00  0.00           O  
ATOM    126  H   GLU A   8       6.173   2.042  -0.158  1.00  0.00           H  
ATOM    127  HA  GLU A   8       3.934   3.768   0.495  1.00  0.00           H  
ATOM    128  HB2 GLU A   8       6.289   3.334  -1.420  1.00  0.00           H  
ATOM    129  HB3 GLU A   8       4.919   3.763  -2.262  1.00  0.00           H  
ATOM    130  HG2 GLU A   8       5.787   5.342   0.265  1.00  0.00           H  
ATOM    131  HG3 GLU A   8       6.630   5.494  -1.272  1.00  0.00           H  
ATOM    132  HE2 GLU A   8       2.926   7.078  -0.694  1.00  0.00           H  
ATOM    133  N   LYS A   9       3.305   1.192  -1.559  1.00  0.00           N  
ATOM    134  CA  LYS A   9       2.192   0.428  -2.179  1.00  0.00           C  
ATOM    135  C   LYS A   9       1.097  -0.048  -1.185  1.00  0.00           C  
ATOM    136  O   LYS A   9      -0.093   0.008  -1.506  1.00  0.00           O  
ATOM    137  CB  LYS A   9       2.754  -0.686  -3.078  1.00  0.00           C  
ATOM    138  CG  LYS A   9       1.759  -1.447  -3.988  1.00  0.00           C  
ATOM    139  CD  LYS A   9       1.105  -0.586  -5.090  1.00  0.00           C  
ATOM    140  CE  LYS A   9       0.143  -1.391  -5.982  1.00  0.00           C  
ATOM    141  NZ  LYS A   9      -0.475  -0.539  -7.014  1.00  0.00           N  
ATOM    142  H   LYS A   9       4.219   0.760  -1.450  1.00  0.00           H  
ATOM    143  HA  LYS A   9       1.723   1.139  -2.826  1.00  0.00           H  
ATOM    144  HB2 LYS A   9       3.581  -0.304  -3.708  1.00  0.00           H  
ATOM    145  HB3 LYS A   9       3.205  -1.387  -2.378  1.00  0.00           H  
ATOM    146  HG2 LYS A   9       2.298  -2.290  -4.459  1.00  0.00           H  
ATOM    147  HG3 LYS A   9       0.975  -1.919  -3.366  1.00  0.00           H  
ATOM    148  HD2 LYS A   9       0.556   0.255  -4.624  1.00  0.00           H  
ATOM    149  HD3 LYS A   9       1.897  -0.124  -5.711  1.00  0.00           H  
ATOM    150  HE2 LYS A   9       0.678  -2.224  -6.475  1.00  0.00           H  
ATOM    151  HE3 LYS A   9      -0.655  -1.852  -5.371  1.00  0.00           H  
ATOM    152  HZ2 LYS A   9      -1.088  -1.103  -7.614  1.00  0.00           H  
ATOM    153  HZ3 LYS A   9       0.247  -0.159  -7.635  1.00  0.00           H  
ATOM    154  N   MET A  10       1.519  -0.485   0.015  1.00  0.00           N  
ATOM    155  CA  MET A  10       0.642  -0.760   1.169  1.00  0.00           C  
ATOM    156  C   MET A  10      -0.289   0.450   1.549  1.00  0.00           C  
ATOM    157  O   MET A  10      -1.419   0.220   1.984  1.00  0.00           O  
ATOM    158  CB  MET A  10       1.607  -1.157   2.321  1.00  0.00           C  
ATOM    159  CG  MET A  10       0.940  -1.689   3.600  1.00  0.00           C  
ATOM    160  SD  MET A  10      -0.018  -3.175   3.231  1.00  0.00           S  
ATOM    161  CE  MET A  10      -0.692  -3.546   4.862  1.00  0.00           C  
ATOM    162  H   MET A  10       2.526  -0.518   0.139  1.00  0.00           H  
ATOM    163  HA  MET A  10       0.045  -1.640   0.898  1.00  0.00           H  
ATOM    164  HB2 MET A  10       2.316  -1.934   1.969  1.00  0.00           H  
ATOM    165  HB3 MET A  10       2.255  -0.294   2.581  1.00  0.00           H  
ATOM    166  HG2 MET A  10       1.709  -1.930   4.357  1.00  0.00           H  
ATOM    167  HG3 MET A  10       0.284  -0.923   4.053  1.00  0.00           H  
ATOM    168  HE1 MET A  10       0.118  -3.712   5.596  1.00  0.00           H  
ATOM    169  HE2 MET A  10      -1.313  -4.459   4.826  1.00  0.00           H  
ATOM    170  HE3 MET A  10      -1.325  -2.716   5.226  1.00  0.00           H  
ATOM    171  N   VAL A  11       0.184   1.709   1.347  1.00  0.00           N  
ATOM    172  CA  VAL A  11      -0.591   2.951   1.597  1.00  0.00           C  
ATOM    173  C   VAL A  11      -1.757   3.130   0.568  1.00  0.00           C  
ATOM    174  O   VAL A  11      -2.906   3.318   0.977  1.00  0.00           O  
ATOM    175  CB  VAL A  11       0.325   4.225   1.722  1.00  0.00           C  
ATOM    176  CG1 VAL A  11      -0.461   5.492   2.141  1.00  0.00           C  
ATOM    177  CG2 VAL A  11       1.510   4.076   2.708  1.00  0.00           C  
ATOM    178  H   VAL A  11       1.016   1.742   0.746  1.00  0.00           H  
ATOM    179  HA  VAL A  11      -1.030   2.786   2.578  1.00  0.00           H  
ATOM    180  HB  VAL A  11       0.761   4.432   0.727  1.00  0.00           H  
ATOM    181 HG11 VAL A  11       0.190   6.384   2.201  1.00  0.00           H  
ATOM    182 HG12 VAL A  11      -1.258   5.741   1.416  1.00  0.00           H  
ATOM    183 HG13 VAL A  11      -0.947   5.369   3.128  1.00  0.00           H  
ATOM    184 HG21 VAL A  11       2.146   4.980   2.729  1.00  0.00           H  
ATOM    185 HG22 VAL A  11       1.171   3.881   3.743  1.00  0.00           H  
ATOM    186 HG23 VAL A  11       2.175   3.243   2.422  1.00  0.00           H  
ATOM    187  N   LEU A  12      -1.452   3.069  -0.746  1.00  0.00           N  
ATOM    188  CA  LEU A  12      -2.450   3.175  -1.843  1.00  0.00           C  
ATOM    189  C   LEU A  12      -3.610   2.133  -1.794  1.00  0.00           C  
ATOM    190  O   LEU A  12      -4.774   2.523  -1.900  1.00  0.00           O  
ATOM    191  CB  LEU A  12      -1.726   3.149  -3.228  1.00  0.00           C  
ATOM    192  CG  LEU A  12      -2.459   3.883  -4.388  1.00  0.00           C  
ATOM    193  CD1 LEU A  12      -2.429   5.419  -4.246  1.00  0.00           C  
ATOM    194  CD2 LEU A  12      -1.873   3.473  -5.755  1.00  0.00           C  
ATOM    195  H   LEU A  12      -0.450   3.040  -0.933  1.00  0.00           H  
ATOM    196  HA  LEU A  12      -2.889   4.176  -1.704  1.00  0.00           H  
ATOM    197  HB2 LEU A  12      -0.703   3.545  -3.122  1.00  0.00           H  
ATOM    198  HB3 LEU A  12      -1.535   2.106  -3.542  1.00  0.00           H  
ATOM    199  HG  LEU A  12      -3.519   3.564  -4.387  1.00  0.00           H  
ATOM    200 HD11 LEU A  12      -1.397   5.815  -4.235  1.00  0.00           H  
ATOM    201 HD12 LEU A  12      -2.919   5.759  -3.316  1.00  0.00           H  
ATOM    202 HD13 LEU A  12      -2.962   5.916  -5.078  1.00  0.00           H  
ATOM    203 HD21 LEU A  12      -1.940   2.381  -5.914  1.00  0.00           H  
ATOM    204 HD22 LEU A  12      -2.418   3.948  -6.592  1.00  0.00           H  
ATOM    205 HD23 LEU A  12      -0.808   3.754  -5.854  1.00  0.00           H  
ATOM    206  N   ASN A  13      -3.279   0.837  -1.614  1.00  0.00           N  
ATOM    207  CA  ASN A  13      -4.268  -0.267  -1.545  1.00  0.00           C  
ATOM    208  C   ASN A  13      -5.224  -0.211  -0.311  1.00  0.00           C  
ATOM    209  O   ASN A  13      -6.433  -0.380  -0.486  1.00  0.00           O  
ATOM    210  CB  ASN A  13      -3.575  -1.650  -1.720  1.00  0.00           C  
ATOM    211  CG  ASN A  13      -4.531  -2.830  -1.994  1.00  0.00           C  
ATOM    212  OD1 ASN A  13      -5.036  -2.998  -3.104  1.00  0.00           O  
ATOM    213  ND2 ASN A  13      -4.793  -3.668  -1.002  1.00  0.00           N  
ATOM    214  H   ASN A  13      -2.278   0.686  -1.499  1.00  0.00           H  
ATOM    215  HA  ASN A  13      -4.874  -0.124  -2.439  1.00  0.00           H  
ATOM    216  HB2 ASN A  13      -2.880  -1.631  -2.583  1.00  0.00           H  
ATOM    217  HB3 ASN A  13      -2.933  -1.860  -0.845  1.00  0.00           H  
ATOM    218 HD21 ASN A  13      -4.340  -3.471  -0.103  1.00  0.00           H  
ATOM    219 HD22 ASN A  13      -5.426  -4.447  -1.214  1.00  0.00           H  
ATOM    220  N   GLU A  14      -4.702   0.021   0.912  1.00  0.00           N  
ATOM    221  CA  GLU A  14      -5.523   0.143   2.145  1.00  0.00           C  
ATOM    222  C   GLU A  14      -6.536   1.338   2.174  1.00  0.00           C  
ATOM    223  O   GLU A  14      -7.624   1.187   2.739  1.00  0.00           O  
ATOM    224  CB  GLU A  14      -4.598   0.106   3.430  1.00  0.00           C  
ATOM    225  CG  GLU A  14      -3.857   1.411   3.824  1.00  0.00           C  
ATOM    226  CD  GLU A  14      -2.981   1.258   5.071  1.00  0.00           C  
ATOM    227  OE1 GLU A  14      -3.401   1.427   6.216  1.00  0.00           O  
ATOM    228  OE2 GLU A  14      -1.689   0.916   4.766  1.00  0.00           O  
ATOM    229  H   GLU A  14      -3.699   0.169   0.920  1.00  0.00           H  
ATOM    230  HA  GLU A  14      -6.152  -0.769   2.091  1.00  0.00           H  
ATOM    231  HB2 GLU A  14      -5.184  -0.192   4.323  1.00  0.00           H  
ATOM    232  HB3 GLU A  14      -3.829  -0.694   3.360  1.00  0.00           H  
ATOM    233  HG2 GLU A  14      -3.242   1.784   2.990  1.00  0.00           H  
ATOM    234  HG3 GLU A  14      -4.590   2.215   4.020  1.00  0.00           H  
ATOM    235  HE2 GLU A  14      -1.554   0.828   3.819  1.00  0.00           H  
ATOM    236  N   GLY A  15      -6.180   2.493   1.575  1.00  0.00           N  
ATOM    237  CA  GLY A  15      -7.046   3.690   1.545  1.00  0.00           C  
ATOM    238  C   GLY A  15      -7.949   3.776   0.299  1.00  0.00           C  
ATOM    239  O   GLY A  15      -9.054   3.227   0.299  1.00  0.00           O  
ATOM    240  H   GLY A  15      -5.253   2.456   1.130  1.00  0.00           H  
ATOM    241  HA2 GLY A  15      -7.677   3.744   2.453  1.00  0.00           H  
ATOM    242  HA3 GLY A  15      -6.398   4.585   1.619  1.00  0.00           H  
ATOM    243  N   THR A  16      -7.464   4.469  -0.747  1.00  0.00           N  
ATOM    244  CA  THR A  16      -8.231   4.709  -2.006  1.00  0.00           C  
ATOM    245  C   THR A  16      -8.512   3.474  -2.923  1.00  0.00           C  
ATOM    246  O   THR A  16      -9.646   3.325  -3.389  1.00  0.00           O  
ATOM    247  CB  THR A  16      -7.606   5.924  -2.766  1.00  0.00           C  
ATOM    248  OG1 THR A  16      -8.476   6.324  -3.821  1.00  0.00           O  
ATOM    249  CG2 THR A  16      -6.195   5.730  -3.361  1.00  0.00           C  
ATOM    250  H   THR A  16      -6.530   4.868  -0.600  1.00  0.00           H  
ATOM    251  HA  THR A  16      -9.230   5.054  -1.684  1.00  0.00           H  
ATOM    252  HB  THR A  16      -7.548   6.777  -2.063  1.00  0.00           H  
ATOM    253  HG1 THR A  16      -8.515   5.582  -4.428  1.00  0.00           H  
ATOM    254 HG21 THR A  16      -6.180   4.961  -4.154  1.00  0.00           H  
ATOM    255 HG22 THR A  16      -5.820   6.667  -3.813  1.00  0.00           H  
ATOM    256 HG23 THR A  16      -5.462   5.427  -2.592  1.00  0.00           H  
ATOM    257  N   SER A  17      -7.505   2.621  -3.183  1.00  0.00           N  
ATOM    258  CA  SER A  17      -7.642   1.433  -4.074  1.00  0.00           C  
ATOM    259  C   SER A  17      -7.965   0.124  -3.286  1.00  0.00           C  
ATOM    260  O   SER A  17      -7.199  -0.846  -3.297  1.00  0.00           O  
ATOM    261  CB  SER A  17      -6.358   1.320  -4.936  1.00  0.00           C  
ATOM    262  OG  SER A  17      -6.156   2.477  -5.742  1.00  0.00           O  
ATOM    263  H   SER A  17      -6.635   2.864  -2.702  1.00  0.00           H  
ATOM    264  HA  SER A  17      -8.470   1.594  -4.793  1.00  0.00           H  
ATOM    265  HB2 SER A  17      -5.463   1.157  -4.305  1.00  0.00           H  
ATOM    266  HB3 SER A  17      -6.421   0.440  -5.602  1.00  0.00           H  
ATOM    267  HG  SER A  17      -6.060   3.211  -5.130  1.00  0.00           H  
ATOM    268  N   GLY A  18      -9.141   0.099  -2.635  1.00  0.00           N  
ATOM    269  CA  GLY A  18      -9.593  -1.060  -1.838  1.00  0.00           C  
ATOM    270  C   GLY A  18     -10.939  -0.758  -1.161  1.00  0.00           C  
ATOM    271  O   GLY A  18     -11.971  -1.271  -1.600  1.00  0.00           O  
ATOM    272  H   GLY A  18      -9.623   1.003  -2.585  1.00  0.00           H  
ATOM    273  HA2 GLY A  18      -9.696  -1.946  -2.493  1.00  0.00           H  
ATOM    274  HA3 GLY A  18      -8.833  -1.334  -1.080  1.00  0.00           H  
ATOM    275  N   THR A  19     -10.898   0.064  -0.090  1.00  0.00           N  
ATOM    276  CA  THR A  19     -12.091   0.535   0.683  1.00  0.00           C  
ATOM    277  C   THR A  19     -12.918  -0.629   1.321  1.00  0.00           C  
ATOM    278  O   THR A  19     -13.811  -1.192   0.677  1.00  0.00           O  
ATOM    279  CB  THR A  19     -12.989   1.575  -0.068  1.00  0.00           C  
ATOM    280  OG1 THR A  19     -13.600   1.012  -1.225  1.00  0.00           O  
ATOM    281  CG2 THR A  19     -12.264   2.868  -0.486  1.00  0.00           C  
ATOM    282  H   THR A  19      -9.968   0.463   0.075  1.00  0.00           H  
ATOM    283  HA  THR A  19     -11.657   1.111   1.525  1.00  0.00           H  
ATOM    284  HB  THR A  19     -13.802   1.878   0.619  1.00  0.00           H  
ATOM    285  HG1 THR A  19     -14.103   0.255  -0.916  1.00  0.00           H  
ATOM    286 HG21 THR A  19     -11.447   2.670  -1.205  1.00  0.00           H  
ATOM    287 HG22 THR A  19     -12.959   3.578  -0.970  1.00  0.00           H  
ATOM    288 HG23 THR A  19     -11.824   3.386   0.385  1.00  0.00           H  
ATOM    289  N   ALA A  20     -12.608  -0.975   2.586  1.00  0.00           N  
ATOM    290  CA  ALA A  20     -13.303  -2.061   3.325  1.00  0.00           C  
ATOM    291  C   ALA A  20     -14.436  -1.479   4.208  1.00  0.00           C  
ATOM    292  O   ALA A  20     -14.205  -0.741   5.169  1.00  0.00           O  
ATOM    293  CB  ALA A  20     -12.270  -2.832   4.170  1.00  0.00           C  
ATOM    294  H   ALA A  20     -11.851  -0.428   3.011  1.00  0.00           H  
ATOM    295  HA  ALA A  20     -13.719  -2.800   2.609  1.00  0.00           H  
ATOM    296  HB1 ALA A  20     -11.479  -3.280   3.541  1.00  0.00           H  
ATOM    297  HB2 ALA A  20     -12.743  -3.665   4.723  1.00  0.00           H  
ATOM    298  HB3 ALA A  20     -11.769  -2.188   4.918  1.00  0.00           H  
TER     299      ALA A  20                                                      
MASTER      111    0    0    1    0    0    0    6  150    1    0    2          
END