HEADER    DE NOVO PROTEIN                         03-DEC-99   1DJF              
TITLE     NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL BASIC PEPTIDE
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLN-ALA-PRO-ALA-TYR-LYS-LYS-ALA-ALA-LYS-LYS-LEU-ALA-GLU-   
COMPND   3 SER;                                                                 
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: HUMAN PLATELET FACTOR 4, SEGMENT 56-70;                    
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES;                                                       
COMPND   8 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THIS MODEL PEPTIDE WAS CHEMICALLY SYNTHESIZED.        
KEYWDS    HYDROPHILIC AMPHIPATHIC BASIC HELIX PEPTIDE MODEL, DE NOVO PROTEIN    
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    R.MONTSERRET,M.J.MCLEISH,A.BOCKMANN,C.GEOURJON,F.PENIN                
REVDAT   4   16-FEB-22 1DJF    1       REMARK                                   
REVDAT   3   24-FEB-09 1DJF    1       VERSN                                    
REVDAT   2   16-AUG-00 1DJF    1       JRNL                                     
REVDAT   1   10-DEC-99 1DJF    0                                                
JRNL        AUTH   R.MONTSERRET,M.J.MCLEISH,A.BOCKMANN,C.GEOURJON,F.PENIN       
JRNL        TITL   INVOLVEMENT OF ELECTROSTATIC INTERACTIONS IN THE MECHANISM   
JRNL        TITL 2 OF PEPTIDE FOLDING INDUCED BY SODIUM DODECYL SULFATE         
JRNL        TITL 3 BINDING.                                                     
JRNL        REF    BIOCHEMISTRY                  V.  39  8362 2000              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   10913242                                                     
JRNL        DOI    10.1021/BI000208X                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : VNMR 6.1, X-PLOR 3.1                                 
REMARK   3   AUTHORS     : VARIAN INC. (VNMR), BRUNGER, A.T. (X-PLOR)           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF      
REMARK   3  136 RESTRAINTS, 126 OF WHICH BEING NOE- DERIVED DISTANCE            
REMARK   3  CONSTRAINTS AND 10 DIHEDRAL ANGLE RESTRAINTS.                       
REMARK   4                                                                      
REMARK   4 1DJF COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-DEC-99.                  
REMARK 100 THE DEPOSITION ID IS D_1000010131.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 6.0                                
REMARK 210  IONIC STRENGTH                 : 10MM SODIUM PHOSPHATE              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 10MM SODIUM PHOSPHATE BUFFER PH    
REMARK 210                                   6.0                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; DQF-COSY; TOCSY; 1H      
REMARK 210                                   -13C-HSQC; 1H-13C-HSQC-TOCSY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : UNITYPLUS                          
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR 3.1                         
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY SIMULATED        
REMARK 210                                   ANNEALING MOLECULAR DYNAMICS       
REMARK 210                                   ENERGY MINIMIZATION                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : RESTRAINT VIOLATION AND LOW        
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR AND 1H-13C HETERONUCLEAR METHODS.                       
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 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1RHP   RELATED DB: PDB                                   
REMARK 900 HUMAN PLATELET FACTOR 4, SEGMENT 56-70.                              
DBREF  1DJF A    1    15  PDB    1DJF     1DJF             1     15             
SEQRES   1 A   15  GLN ALA PRO ALA TYR LYS LYS ALA ALA LYS LYS LEU ALA          
SEQRES   2 A   15  GLU SER                                                      
HELIX    1   1 PRO A    3  SER A   15  1                                  13    
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   GLN A   1     -14.368  -2.792  -3.939  1.00  3.74           N  
ATOM      2  CA  GLN A   1     -13.378  -2.598  -2.834  1.00  3.04           C  
ATOM      3  C   GLN A   1     -12.050  -2.072  -3.394  1.00  2.32           C  
ATOM      4  O   GLN A   1     -11.679  -2.367  -4.515  1.00  2.79           O  
ATOM      5  CB  GLN A   1     -13.188  -3.987  -2.212  1.00  3.78           C  
ATOM      6  CG  GLN A   1     -13.930  -4.058  -0.873  1.00  4.20           C  
ATOM      7  CD  GLN A   1     -15.398  -4.424  -1.116  1.00  5.08           C  
ATOM      8  OE1 GLN A   1     -16.092  -3.745  -1.847  1.00  5.49           O  
ATOM      9  NE2 GLN A   1     -15.904  -5.475  -0.531  1.00  5.76           N  
ATOM     10  H1  GLN A   1     -15.270  -3.125  -3.542  1.00  4.14           H  
ATOM     11  H2  GLN A   1     -14.003  -3.497  -4.614  1.00  4.06           H  
ATOM     12  H3  GLN A   1     -14.521  -1.889  -4.431  1.00  4.04           H  
ATOM     13  HA  GLN A   1     -13.770  -1.916  -2.097  1.00  3.19           H  
ATOM     14  HB2 GLN A   1     -13.580  -4.740  -2.882  1.00  4.33           H  
ATOM     15  HB3 GLN A   1     -12.136  -4.167  -2.046  1.00  3.98           H  
ATOM     16  HG2 GLN A   1     -13.471  -4.809  -0.247  1.00  4.25           H  
ATOM     17  HG3 GLN A   1     -13.878  -3.098  -0.381  1.00  4.36           H  
ATOM     18 HE21 GLN A   1     -15.348  -6.025   0.060  1.00  5.75           H  
ATOM     19 HE22 GLN A   1     -16.842  -5.714  -0.682  1.00  6.47           H  
ATOM     20  N   ALA A   2     -11.333  -1.297  -2.617  1.00  1.92           N  
ATOM     21  CA  ALA A   2     -10.028  -0.747  -3.093  1.00  1.86           C  
ATOM     22  C   ALA A   2      -9.092  -0.493  -1.901  1.00  1.28           C  
ATOM     23  O   ALA A   2      -9.201   0.519  -1.233  1.00  1.83           O  
ATOM     24  CB  ALA A   2     -10.380   0.568  -3.793  1.00  2.95           C  
ATOM     25  H   ALA A   2     -11.654  -1.077  -1.718  1.00  2.32           H  
ATOM     26  HA  ALA A   2      -9.568  -1.424  -3.795  1.00  2.32           H  
ATOM     27  HB1 ALA A   2      -9.484   1.003  -4.210  1.00  3.41           H  
ATOM     28  HB2 ALA A   2     -10.814   1.251  -3.078  1.00  3.34           H  
ATOM     29  HB3 ALA A   2     -11.089   0.375  -4.584  1.00  3.45           H  
ATOM     30  N   PRO A   3      -8.202  -1.430  -1.673  1.00  1.36           N  
ATOM     31  CA  PRO A   3      -7.231  -1.315  -0.552  1.00  1.88           C  
ATOM     32  C   PRO A   3      -6.101  -0.329  -0.906  1.00  1.45           C  
ATOM     33  O   PRO A   3      -4.938  -0.692  -0.960  1.00  1.58           O  
ATOM     34  CB  PRO A   3      -6.691  -2.735  -0.405  1.00  2.99           C  
ATOM     35  CG  PRO A   3      -6.870  -3.367  -1.751  1.00  3.12           C  
ATOM     36  CD  PRO A   3      -8.025  -2.676  -2.429  1.00  2.24           C  
ATOM     37  HA  PRO A   3      -7.730  -1.014   0.355  1.00  2.35           H  
ATOM     38  HB2 PRO A   3      -5.644  -2.711  -0.135  1.00  3.46           H  
ATOM     39  HB3 PRO A   3      -7.258  -3.278   0.335  1.00  3.52           H  
ATOM     40  HG2 PRO A   3      -5.970  -3.241  -2.337  1.00  3.57           H  
ATOM     41  HG3 PRO A   3      -7.093  -4.416  -1.638  1.00  3.74           H  
ATOM     42  HD2 PRO A   3      -7.784  -2.462  -3.460  1.00  2.57           H  
ATOM     43  HD3 PRO A   3      -8.917  -3.278  -2.364  1.00  2.41           H  
ATOM     44  N   ALA A   4      -6.438   0.916  -1.143  1.00  1.23           N  
ATOM     45  CA  ALA A   4      -5.395   1.933  -1.491  1.00  1.13           C  
ATOM     46  C   ALA A   4      -4.426   2.124  -0.318  1.00  0.93           C  
ATOM     47  O   ALA A   4      -3.224   2.192  -0.502  1.00  0.95           O  
ATOM     48  CB  ALA A   4      -6.168   3.225  -1.767  1.00  1.45           C  
ATOM     49  H   ALA A   4      -7.380   1.183  -1.090  1.00  1.39           H  
ATOM     50  HA  ALA A   4      -4.857   1.630  -2.376  1.00  1.30           H  
ATOM     51  HB1 ALA A   4      -5.491   3.974  -2.150  1.00  2.04           H  
ATOM     52  HB2 ALA A   4      -6.616   3.579  -0.851  1.00  1.70           H  
ATOM     53  HB3 ALA A   4      -6.942   3.033  -2.496  1.00  1.82           H  
ATOM     54  N   TYR A   5      -4.942   2.202   0.887  1.00  0.97           N  
ATOM     55  CA  TYR A   5      -4.053   2.379   2.079  1.00  1.10           C  
ATOM     56  C   TYR A   5      -3.116   1.170   2.223  1.00  1.12           C  
ATOM     57  O   TYR A   5      -1.989   1.302   2.662  1.00  1.14           O  
ATOM     58  CB  TYR A   5      -4.998   2.509   3.287  1.00  1.50           C  
ATOM     59  CG  TYR A   5      -5.610   1.168   3.639  1.00  1.73           C  
ATOM     60  CD1 TYR A   5      -6.809   0.763   3.039  1.00  2.17           C  
ATOM     61  CD2 TYR A   5      -4.978   0.335   4.571  1.00  2.46           C  
ATOM     62  CE1 TYR A   5      -7.374  -0.474   3.369  1.00  2.74           C  
ATOM     63  CE2 TYR A   5      -5.544  -0.901   4.902  1.00  3.14           C  
ATOM     64  CZ  TYR A   5      -6.742  -1.306   4.300  1.00  3.09           C  
ATOM     65  OH  TYR A   5      -7.300  -2.524   4.628  1.00  3.91           O  
ATOM     66  H   TYR A   5      -5.913   2.139   1.006  1.00  1.08           H  
ATOM     67  HA  TYR A   5      -3.470   3.281   1.971  1.00  1.13           H  
ATOM     68  HB2 TYR A   5      -4.441   2.878   4.135  1.00  1.92           H  
ATOM     69  HB3 TYR A   5      -5.786   3.208   3.049  1.00  1.74           H  
ATOM     70  HD1 TYR A   5      -7.297   1.404   2.320  1.00  2.58           H  
ATOM     71  HD2 TYR A   5      -4.054   0.647   5.035  1.00  2.90           H  
ATOM     72  HE1 TYR A   5      -8.298  -0.787   2.905  1.00  3.31           H  
ATOM     73  HE2 TYR A   5      -5.057  -1.543   5.620  1.00  3.97           H  
ATOM     74  HH  TYR A   5      -7.842  -2.400   5.412  1.00  4.27           H  
ATOM     75  N   LYS A   6      -3.567  -0.002   1.838  1.00  1.28           N  
ATOM     76  CA  LYS A   6      -2.695  -1.212   1.931  1.00  1.57           C  
ATOM     77  C   LYS A   6      -1.514  -1.060   0.966  1.00  1.35           C  
ATOM     78  O   LYS A   6      -0.387  -1.381   1.295  1.00  1.46           O  
ATOM     79  CB  LYS A   6      -3.585  -2.386   1.517  1.00  1.94           C  
ATOM     80  CG  LYS A   6      -3.172  -3.640   2.290  1.00  2.64           C  
ATOM     81  CD  LYS A   6      -3.880  -4.862   1.700  1.00  3.12           C  
ATOM     82  CE  LYS A   6      -5.354  -4.854   2.119  1.00  3.82           C  
ATOM     83  NZ  LYS A   6      -5.988  -5.955   1.337  1.00  4.60           N  
ATOM     84  H   LYS A   6      -4.473  -0.082   1.473  1.00  1.32           H  
ATOM     85  HA  LYS A   6      -2.343  -1.348   2.942  1.00  1.78           H  
ATOM     86  HB2 LYS A   6      -4.617  -2.150   1.738  1.00  2.20           H  
ATOM     87  HB3 LYS A   6      -3.476  -2.565   0.458  1.00  2.13           H  
ATOM     88  HG2 LYS A   6      -2.102  -3.773   2.215  1.00  3.10           H  
ATOM     89  HG3 LYS A   6      -3.450  -3.532   3.328  1.00  2.99           H  
ATOM     90  HD2 LYS A   6      -3.811  -4.832   0.622  1.00  3.39           H  
ATOM     91  HD3 LYS A   6      -3.409  -5.762   2.065  1.00  3.33           H  
ATOM     92  HE2 LYS A   6      -5.442  -5.043   3.181  1.00  3.94           H  
ATOM     93  HE3 LYS A   6      -5.812  -3.909   1.866  1.00  4.11           H  
ATOM     94  HZ1 LYS A   6      -5.485  -6.847   1.518  1.00  4.96           H  
ATOM     95  HZ2 LYS A   6      -5.944  -5.731   0.321  1.00  4.99           H  
ATOM     96  HZ3 LYS A   6      -6.982  -6.057   1.626  1.00  4.79           H  
ATOM     97  N   LYS A   7      -1.767  -0.551  -0.218  1.00  1.17           N  
ATOM     98  CA  LYS A   7      -0.664  -0.350  -1.206  1.00  1.19           C  
ATOM     99  C   LYS A   7       0.298   0.730  -0.693  1.00  0.87           C  
ATOM    100  O   LYS A   7       1.497   0.640  -0.875  1.00  0.94           O  
ATOM    101  CB  LYS A   7      -1.354   0.109  -2.495  1.00  1.42           C  
ATOM    102  CG  LYS A   7      -0.438  -0.163  -3.692  1.00  1.93           C  
ATOM    103  CD  LYS A   7      -0.865   0.711  -4.874  1.00  2.33           C  
ATOM    104  CE  LYS A   7       0.136   0.541  -6.024  1.00  3.16           C  
ATOM    105  NZ  LYS A   7      -0.633  -0.111  -7.123  1.00  3.58           N  
ATOM    106  H   LYS A   7      -2.683  -0.287  -0.449  1.00  1.15           H  
ATOM    107  HA  LYS A   7      -0.136  -1.276  -1.376  1.00  1.41           H  
ATOM    108  HB2 LYS A   7      -2.280  -0.434  -2.620  1.00  1.89           H  
ATOM    109  HB3 LYS A   7      -1.561   1.167  -2.435  1.00  1.61           H  
ATOM    110  HG2 LYS A   7       0.583   0.068  -3.423  1.00  2.43           H  
ATOM    111  HG3 LYS A   7      -0.510  -1.204  -3.971  1.00  2.37           H  
ATOM    112  HD2 LYS A   7      -1.851   0.414  -5.203  1.00  2.52           H  
ATOM    113  HD3 LYS A   7      -0.885   1.746  -4.568  1.00  2.65           H  
ATOM    114  HE2 LYS A   7       0.505   1.507  -6.342  1.00  3.62           H  
ATOM    115  HE3 LYS A   7       0.954  -0.093  -5.719  1.00  3.58           H  
ATOM    116  HZ1 LYS A   7       0.002  -0.307  -7.922  1.00  3.89           H  
ATOM    117  HZ2 LYS A   7      -1.399   0.522  -7.435  1.00  3.86           H  
ATOM    118  HZ3 LYS A   7      -1.039  -1.006  -6.782  1.00  3.90           H  
ATOM    119  N   ALA A   8      -0.223   1.745  -0.038  1.00  0.67           N  
ATOM    120  CA  ALA A   8       0.657   2.826   0.504  1.00  0.71           C  
ATOM    121  C   ALA A   8       1.556   2.259   1.611  1.00  0.60           C  
ATOM    122  O   ALA A   8       2.724   2.588   1.702  1.00  0.68           O  
ATOM    123  CB  ALA A   8      -0.301   3.877   1.072  1.00  0.95           C  
ATOM    124  H   ALA A   8      -1.195   1.789   0.105  1.00  0.69           H  
ATOM    125  HA  ALA A   8       1.254   3.257  -0.284  1.00  0.92           H  
ATOM    126  HB1 ALA A   8       0.231   4.804   1.221  1.00  1.40           H  
ATOM    127  HB2 ALA A   8      -0.695   3.532   2.016  1.00  1.45           H  
ATOM    128  HB3 ALA A   8      -1.114   4.035   0.378  1.00  1.42           H  
ATOM    129  N   ALA A   9       1.016   1.399   2.444  1.00  0.68           N  
ATOM    130  CA  ALA A   9       1.831   0.792   3.542  1.00  0.89           C  
ATOM    131  C   ALA A   9       2.937  -0.095   2.953  1.00  0.73           C  
ATOM    132  O   ALA A   9       4.051  -0.113   3.440  1.00  0.75           O  
ATOM    133  CB  ALA A   9       0.843  -0.048   4.357  1.00  1.27           C  
ATOM    134  H   ALA A   9       0.073   1.147   2.339  1.00  0.76           H  
ATOM    135  HA  ALA A   9       2.259   1.563   4.163  1.00  1.04           H  
ATOM    136  HB1 ALA A   9       1.384  -0.793   4.921  1.00  1.76           H  
ATOM    137  HB2 ALA A   9       0.148  -0.536   3.689  1.00  1.56           H  
ATOM    138  HB3 ALA A   9       0.300   0.593   5.036  1.00  1.78           H  
ATOM    139  N   LYS A  10       2.635  -0.824   1.902  1.00  0.78           N  
ATOM    140  CA  LYS A  10       3.668  -1.706   1.269  1.00  0.95           C  
ATOM    141  C   LYS A  10       4.801  -0.860   0.675  1.00  0.77           C  
ATOM    142  O   LYS A  10       5.948  -1.262   0.669  1.00  0.88           O  
ATOM    143  CB  LYS A  10       2.927  -2.470   0.165  1.00  1.31           C  
ATOM    144  CG  LYS A  10       3.463  -3.903   0.079  1.00  1.97           C  
ATOM    145  CD  LYS A  10       4.028  -4.159  -1.321  1.00  2.39           C  
ATOM    146  CE  LYS A  10       4.851  -5.452  -1.313  1.00  3.04           C  
ATOM    147  NZ  LYS A  10       5.544  -5.484  -2.634  1.00  3.42           N  
ATOM    148  H   LYS A  10       1.729  -0.785   1.527  1.00  0.85           H  
ATOM    149  HA  LYS A  10       4.061  -2.396   1.993  1.00  1.10           H  
ATOM    150  HB2 LYS A  10       1.870  -2.494   0.390  1.00  1.65           H  
ATOM    151  HB3 LYS A  10       3.082  -1.973  -0.782  1.00  1.33           H  
ATOM    152  HG2 LYS A  10       4.244  -4.041   0.814  1.00  2.33           H  
ATOM    153  HG3 LYS A  10       2.660  -4.599   0.274  1.00  2.49           H  
ATOM    154  HD2 LYS A  10       3.214  -4.253  -2.025  1.00  2.62           H  
ATOM    155  HD3 LYS A  10       4.661  -3.333  -1.610  1.00  2.73           H  
ATOM    156  HE2 LYS A  10       5.574  -5.430  -0.509  1.00  3.47           H  
ATOM    157  HE3 LYS A  10       4.204  -6.310  -1.215  1.00  3.43           H  
ATOM    158  HZ1 LYS A  10       6.215  -6.277  -2.654  1.00  3.58           H  
ATOM    159  HZ2 LYS A  10       6.061  -4.590  -2.777  1.00  3.76           H  
ATOM    160  HZ3 LYS A  10       4.844  -5.606  -3.393  1.00  3.73           H  
ATOM    161  N   LYS A  11       4.482   0.310   0.184  1.00  0.73           N  
ATOM    162  CA  LYS A  11       5.531   1.199  -0.404  1.00  0.96           C  
ATOM    163  C   LYS A  11       6.372   1.829   0.714  1.00  0.86           C  
ATOM    164  O   LYS A  11       7.566   1.999   0.575  1.00  1.10           O  
ATOM    165  CB  LYS A  11       4.757   2.277  -1.170  1.00  1.17           C  
ATOM    166  CG  LYS A  11       5.676   2.940  -2.201  1.00  1.81           C  
ATOM    167  CD  LYS A  11       4.907   4.039  -2.940  1.00  2.54           C  
ATOM    168  CE  LYS A  11       5.313   4.049  -4.418  1.00  3.26           C  
ATOM    169  NZ  LYS A  11       4.242   4.821  -5.115  1.00  4.07           N  
ATOM    170  H   LYS A  11       3.550   0.606   0.210  1.00  0.72           H  
ATOM    171  HA  LYS A  11       6.160   0.642  -1.082  1.00  1.19           H  
ATOM    172  HB2 LYS A  11       3.916   1.825  -1.676  1.00  1.27           H  
ATOM    173  HB3 LYS A  11       4.400   3.025  -0.477  1.00  1.37           H  
ATOM    174  HG2 LYS A  11       6.530   3.372  -1.697  1.00  2.23           H  
ATOM    175  HG3 LYS A  11       6.015   2.200  -2.911  1.00  2.19           H  
ATOM    176  HD2 LYS A  11       3.846   3.852  -2.859  1.00  3.07           H  
ATOM    177  HD3 LYS A  11       5.138   4.998  -2.499  1.00  2.79           H  
ATOM    178  HE2 LYS A  11       6.271   4.538  -4.539  1.00  3.51           H  
ATOM    179  HE3 LYS A  11       5.353   3.042  -4.804  1.00  3.56           H  
ATOM    180  HZ1 LYS A  11       4.557   5.061  -6.076  1.00  4.28           H  
ATOM    181  HZ2 LYS A  11       4.043   5.696  -4.587  1.00  4.61           H  
ATOM    182  HZ3 LYS A  11       3.378   4.245  -5.170  1.00  4.36           H  
ATOM    183  N   LEU A  12       5.757   2.166   1.823  1.00  0.72           N  
ATOM    184  CA  LEU A  12       6.521   2.777   2.957  1.00  0.96           C  
ATOM    185  C   LEU A  12       7.458   1.741   3.601  1.00  0.81           C  
ATOM    186  O   LEU A  12       8.461   2.090   4.195  1.00  1.00           O  
ATOM    187  CB  LEU A  12       5.454   3.230   3.959  1.00  1.19           C  
ATOM    188  CG  LEU A  12       6.012   4.361   4.828  1.00  1.69           C  
ATOM    189  CD1 LEU A  12       5.977   5.676   4.046  1.00  2.00           C  
ATOM    190  CD2 LEU A  12       5.158   4.498   6.091  1.00  2.30           C  
ATOM    191  H   LEU A  12       4.792   2.011   1.912  1.00  0.61           H  
ATOM    192  HA  LEU A  12       7.086   3.628   2.612  1.00  1.23           H  
ATOM    193  HB2 LEU A  12       4.584   3.583   3.423  1.00  1.21           H  
ATOM    194  HB3 LEU A  12       5.176   2.398   4.589  1.00  1.25           H  
ATOM    195  HG  LEU A  12       7.032   4.133   5.104  1.00  2.03           H  
ATOM    196 HD11 LEU A  12       6.249   6.491   4.700  1.00  2.39           H  
ATOM    197 HD12 LEU A  12       4.981   5.840   3.661  1.00  2.44           H  
ATOM    198 HD13 LEU A  12       6.677   5.625   3.225  1.00  2.26           H  
ATOM    199 HD21 LEU A  12       5.160   3.563   6.632  1.00  2.83           H  
ATOM    200 HD22 LEU A  12       4.145   4.752   5.816  1.00  2.72           H  
ATOM    201 HD23 LEU A  12       5.566   5.277   6.719  1.00  2.54           H  
ATOM    202  N   ALA A  13       7.138   0.473   3.490  1.00  0.62           N  
ATOM    203  CA  ALA A  13       8.010  -0.582   4.094  1.00  0.75           C  
ATOM    204  C   ALA A  13       9.161  -0.937   3.141  1.00  0.68           C  
ATOM    205  O   ALA A  13      10.256  -1.243   3.572  1.00  0.81           O  
ATOM    206  CB  ALA A  13       7.091  -1.789   4.301  1.00  0.99           C  
ATOM    207  H   ALA A  13       6.324   0.214   3.008  1.00  0.58           H  
ATOM    208  HA  ALA A  13       8.398  -0.249   5.044  1.00  0.95           H  
ATOM    209  HB1 ALA A  13       6.994  -2.331   3.372  1.00  1.49           H  
ATOM    210  HB2 ALA A  13       6.117  -1.450   4.623  1.00  1.51           H  
ATOM    211  HB3 ALA A  13       7.513  -2.438   5.054  1.00  1.38           H  
ATOM    212  N   GLU A  14       8.919  -0.898   1.853  1.00  0.74           N  
ATOM    213  CA  GLU A  14       9.998  -1.235   0.872  1.00  1.01           C  
ATOM    214  C   GLU A  14      10.766   0.031   0.468  1.00  1.01           C  
ATOM    215  O   GLU A  14      11.982   0.073   0.521  1.00  1.30           O  
ATOM    216  CB  GLU A  14       9.270  -1.827  -0.341  1.00  1.56           C  
ATOM    217  CG  GLU A  14       8.518  -3.096   0.074  1.00  2.35           C  
ATOM    218  CD  GLU A  14       8.006  -3.829  -1.171  1.00  3.12           C  
ATOM    219  OE1 GLU A  14       7.198  -3.257  -1.887  1.00  3.67           O  
ATOM    220  OE2 GLU A  14       8.424  -4.954  -1.384  1.00  3.61           O  
ATOM    221  H   GLU A  14       8.027  -0.649   1.530  1.00  0.79           H  
ATOM    222  HA  GLU A  14      10.672  -1.967   1.289  1.00  1.49           H  
ATOM    223  HB2 GLU A  14       8.568  -1.102  -0.727  1.00  2.01           H  
ATOM    224  HB3 GLU A  14       9.990  -2.073  -1.108  1.00  1.91           H  
ATOM    225  HG2 GLU A  14       9.184  -3.743   0.624  1.00  2.60           H  
ATOM    226  HG3 GLU A  14       7.680  -2.828   0.699  1.00  2.79           H  
ATOM    227  N   SER A  15      10.061   1.056   0.061  1.00  1.29           N  
ATOM    228  CA  SER A  15      10.735   2.325  -0.358  1.00  2.09           C  
ATOM    229  C   SER A  15      10.942   3.249   0.850  1.00  2.87           C  
ATOM    230  O   SER A  15      12.031   3.781   0.981  1.00  3.44           O  
ATOM    231  CB  SER A  15       9.784   2.971  -1.372  1.00  2.72           C  
ATOM    232  OG  SER A  15       9.163   1.959  -2.161  1.00  3.45           O  
ATOM    233  OXT SER A  15      10.008   3.411   1.622  1.00  3.48           O  
ATOM    234  H   SER A  15       9.083   0.991   0.025  1.00  1.18           H  
ATOM    235  HA  SER A  15      11.680   2.108  -0.830  1.00  2.50           H  
ATOM    236  HB2 SER A  15       9.023   3.527  -0.851  1.00  2.87           H  
ATOM    237  HB3 SER A  15      10.344   3.644  -2.008  1.00  3.23           H  
ATOM    238  HG  SER A  15       9.296   2.177  -3.085  1.00  3.73           H  
TER     239      SER A  15                                                      
MASTER       75    0    0    1    0    0    0    6  113    1    0    2          
END