HEADER    METAL BINDING PROTEIN                   20-NOV-03   1V4Z              
TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL FRAGMENT OF S100C/A11 PROTEIN    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CALGIZZARIN;                                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: N-TERMINAL FRAGMENT;                                       
COMPND   5 SYNONYM: S100C PROTEIN, MLN 70, S100C/A11;                           
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THE PEPTIDE WAS CHEMICALLY            
SOURCE   4 SYNTHESIZED. THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO  
SOURCE   5 SAPIENS (HUMAN)                                                      
KEYWDS    ALPHA-HELIX, METAL BINDING PROTEIN                                    
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    T.KOUNO,M.MIZUGUCHI,M.SAKAGUCHI,E.MAKINO,N.HUH,K.KAWANO               
REVDAT   4   27-DEC-23 1V4Z    1       REMARK                                   
REVDAT   3   02-MAR-22 1V4Z    1       REMARK                                   
REVDAT   2   24-FEB-09 1V4Z    1       VERSN                                    
REVDAT   1   22-MAR-05 1V4Z    0                                                
JRNL        AUTH   T.KOUNO,M.MIZUGUCHI,M.SAKAGUCHI,E.MAKINO,N.HUH,K.KAWANO      
JRNL        TITL   STUDY ON STRUCTURE-ACTIVITY RELATIONSHIP BETWEEN THE         
JRNL        TITL 2 N-TERMINAL REGION OF S100C PROTEIN AND ITS FUNCTION          
JRNL        REF    PEPTIDE SCIENCE               V.  40   319 2003              
JRNL        REFN                   ISSN 1344-7661                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NMRPIPE 2.2, X-PLOR 3.1                              
REMARK   3   AUTHORS     : DELAGLIO (NMRPIPE), BRUNGER (X-PLOR)                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1V4Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-NOV-03.                  
REMARK 100 THE DEPOSITION ID IS D_1000006212.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 0.12                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 2.0MM PEPTIDE, 20MM PHOSPHATE      
REMARK 210                                   BUFFER NA, 5MM DITHIOTHREITOL,     
REMARK 210                                   50% H2O, 50% TRIFLUOROETHANOL-D3;  
REMARK 210                                   2.0MM PEPTIDE, 20MM PHOSPHATE      
REMARK 210                                   BUFFER NA, 5MM DITHIOTHREITOL,     
REMARK 210                                   50% D2O, 50% TRIFLUOROETHANOL-D3   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY                           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : PIPP 4.3.2                         
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465     RES C SSSEQI                                                     
REMARK 465     MET A    -1                                                      
REMARK 465     ALA A     0                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  10         0.31    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1V50   RELATED DB: PDB                                   
REMARK 900 THE PHOSPHORYLATED SAME PROTEIN                                      
DBREF  1V4Z A   -1    17  UNP    P31949   S10AB_HUMAN      1     19             
SEQRES   1 A   19  MET ALA LYS ILE SER SER PRO THR GLU THR GLU ARG CYS          
SEQRES   2 A   19  ILE GLU SER LEU ILE ALA                                      
HELIX    1   1 SER A    4  ALA A   17  1                                  14    
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
ATOM      1  N   LYS A   1     -13.045   2.939  -2.644  1.00  4.65           N  
ATOM      2  CA  LYS A   1     -11.670   3.342  -2.207  1.00  4.06           C  
ATOM      3  C   LYS A   1     -11.158   2.405  -1.102  1.00  2.83           C  
ATOM      4  O   LYS A   1     -11.924   1.902  -0.300  1.00  2.80           O  
ATOM      5  CB  LYS A   1     -11.799   4.785  -1.690  1.00  4.76           C  
ATOM      6  CG  LYS A   1     -12.780   4.853  -0.509  1.00  5.78           C  
ATOM      7  CD  LYS A   1     -14.050   5.596  -0.936  1.00  6.59           C  
ATOM      8  CE  LYS A   1     -13.817   7.109  -0.841  1.00  7.49           C  
ATOM      9  NZ  LYS A   1     -14.761   7.713  -1.826  1.00  8.16           N  
ATOM     10  H   LYS A   1     -13.462   3.694  -3.225  1.00  4.95           H  
ATOM     11  HA  LYS A   1     -10.996   3.319  -3.050  1.00  4.51           H  
ATOM     12  HB2 LYS A   1     -10.829   5.135  -1.367  1.00  5.06           H  
ATOM     13  HB3 LYS A   1     -12.157   5.419  -2.488  1.00  4.67           H  
ATOM     14  HG2 LYS A   1     -13.039   3.853  -0.195  1.00  6.03           H  
ATOM     15  HG3 LYS A   1     -12.317   5.379   0.312  1.00  6.05           H  
ATOM     16  HD2 LYS A   1     -14.296   5.332  -1.954  1.00  6.71           H  
ATOM     17  HD3 LYS A   1     -14.865   5.319  -0.284  1.00  6.72           H  
ATOM     18  HE2 LYS A   1     -14.038   7.459   0.158  1.00  7.71           H  
ATOM     19  HE3 LYS A   1     -12.800   7.350  -1.109  1.00  7.71           H  
ATOM     20  HZ1 LYS A   1     -14.666   8.748  -1.806  1.00  8.52           H  
ATOM     21  HZ2 LYS A   1     -15.737   7.449  -1.578  1.00  8.25           H  
ATOM     22  HZ3 LYS A   1     -14.538   7.366  -2.780  1.00  8.42           H  
ATOM     23  N   ILE A   2      -9.862   2.171  -1.065  1.00  2.39           N  
ATOM     24  CA  ILE A   2      -9.261   1.270  -0.028  1.00  1.69           C  
ATOM     25  C   ILE A   2     -10.003  -0.075   0.002  1.00  1.27           C  
ATOM     26  O   ILE A   2     -10.560  -0.481   1.007  1.00  2.01           O  
ATOM     27  CB  ILE A   2      -9.423   2.006   1.300  1.00  2.60           C  
ATOM     28  CG1 ILE A   2      -8.808   3.417   1.226  1.00  3.33           C  
ATOM     29  CG2 ILE A   2      -8.729   1.204   2.401  1.00  3.08           C  
ATOM     30  CD1 ILE A   2      -7.330   3.338   0.821  1.00  3.92           C  
ATOM     31  H   ILE A   2      -9.279   2.590  -1.725  1.00  3.02           H  
ATOM     32  HA  ILE A   2      -8.214   1.112  -0.235  1.00  1.90           H  
ATOM     33  HB  ILE A   2     -10.473   2.079   1.516  1.00  3.03           H  
ATOM     34 HG12 ILE A   2      -9.348   4.007   0.500  1.00  3.35           H  
ATOM     35 HG13 ILE A   2      -8.886   3.889   2.194  1.00  3.88           H  
ATOM     36 HG21 ILE A   2      -7.912   1.779   2.808  1.00  3.46           H  
ATOM     37 HG22 ILE A   2      -8.349   0.283   1.982  1.00  3.50           H  
ATOM     38 HG23 ILE A   2      -9.438   0.978   3.183  1.00  3.33           H  
ATOM     39 HD11 ILE A   2      -7.047   2.306   0.681  1.00  4.16           H  
ATOM     40 HD12 ILE A   2      -6.721   3.776   1.598  1.00  4.28           H  
ATOM     41 HD13 ILE A   2      -7.180   3.881  -0.101  1.00  4.25           H  
ATOM     42  N   SER A   3     -10.017  -0.752  -1.107  1.00  1.28           N  
ATOM     43  CA  SER A   3     -10.722  -2.073  -1.196  1.00  2.01           C  
ATOM     44  C   SER A   3     -10.035  -3.130  -0.315  1.00  1.62           C  
ATOM     45  O   SER A   3     -10.687  -3.829   0.438  1.00  1.89           O  
ATOM     46  CB  SER A   3     -10.651  -2.473  -2.675  1.00  2.75           C  
ATOM     47  OG  SER A   3      -9.293  -2.506  -3.099  1.00  3.37           O  
ATOM     48  H   SER A   3      -9.568  -0.382  -1.889  1.00  1.63           H  
ATOM     49  HA  SER A   3     -11.753  -1.961  -0.901  1.00  2.71           H  
ATOM     50  HB2 SER A   3     -11.085  -3.449  -2.806  1.00  3.03           H  
ATOM     51  HB3 SER A   3     -11.206  -1.755  -3.266  1.00  3.19           H  
ATOM     52  HG  SER A   3      -9.281  -2.487  -4.059  1.00  3.87           H  
ATOM     53  N   SER A   4      -8.730  -3.259  -0.407  1.00  1.19           N  
ATOM     54  CA  SER A   4      -8.009  -4.279   0.420  1.00  0.84           C  
ATOM     55  C   SER A   4      -6.810  -3.648   1.145  1.00  0.66           C  
ATOM     56  O   SER A   4      -6.278  -2.644   0.706  1.00  0.77           O  
ATOM     57  CB  SER A   4      -7.536  -5.337  -0.582  1.00  0.98           C  
ATOM     58  OG  SER A   4      -6.668  -4.735  -1.537  1.00  1.42           O  
ATOM     59  H   SER A   4      -8.224  -2.690  -1.025  1.00  1.31           H  
ATOM     60  HA  SER A   4      -8.682  -4.728   1.133  1.00  0.84           H  
ATOM     61  HB2 SER A   4      -7.003  -6.114  -0.061  1.00  1.30           H  
ATOM     62  HB3 SER A   4      -8.395  -5.766  -1.082  1.00  1.39           H  
ATOM     63  HG  SER A   4      -7.164  -4.605  -2.349  1.00  1.75           H  
ATOM     64  N   PRO A   5      -6.418  -4.272   2.235  1.00  0.55           N  
ATOM     65  CA  PRO A   5      -5.261  -3.779   3.033  1.00  0.67           C  
ATOM     66  C   PRO A   5      -3.939  -3.994   2.278  1.00  0.57           C  
ATOM     67  O   PRO A   5      -2.980  -3.274   2.489  1.00  0.71           O  
ATOM     68  CB  PRO A   5      -5.312  -4.629   4.302  1.00  0.93           C  
ATOM     69  CG  PRO A   5      -6.034  -5.875   3.901  1.00  0.82           C  
ATOM     70  CD  PRO A   5      -7.009  -5.485   2.823  1.00  0.60           C  
ATOM     71  HA  PRO A   5      -5.390  -2.739   3.284  1.00  0.85           H  
ATOM     72  HB2 PRO A   5      -4.310  -4.863   4.637  1.00  1.08           H  
ATOM     73  HB3 PRO A   5      -5.860  -4.117   5.077  1.00  1.13           H  
ATOM     74  HG2 PRO A   5      -5.331  -6.603   3.521  1.00  0.87           H  
ATOM     75  HG3 PRO A   5      -6.569  -6.281   4.745  1.00  1.01           H  
ATOM     76  HD2 PRO A   5      -7.088  -6.270   2.083  1.00  0.58           H  
ATOM     77  HD3 PRO A   5      -7.975  -5.260   3.246  1.00  0.74           H  
ATOM     78  N   THR A   6      -3.883  -4.973   1.397  1.00  0.55           N  
ATOM     79  CA  THR A   6      -2.625  -5.229   0.620  1.00  0.77           C  
ATOM     80  C   THR A   6      -2.223  -3.973  -0.168  1.00  0.71           C  
ATOM     81  O   THR A   6      -1.052  -3.680  -0.322  1.00  0.82           O  
ATOM     82  CB  THR A   6      -2.954  -6.383  -0.339  1.00  1.05           C  
ATOM     83  OG1 THR A   6      -4.155  -6.095  -1.046  1.00  1.07           O  
ATOM     84  CG2 THR A   6      -3.127  -7.680   0.454  1.00  1.18           C  
ATOM     85  H   THR A   6      -4.671  -5.535   1.243  1.00  0.54           H  
ATOM     86  HA  THR A   6      -1.828  -5.521   1.285  1.00  0.92           H  
ATOM     87  HB  THR A   6      -2.145  -6.506  -1.043  1.00  1.27           H  
ATOM     88  HG1 THR A   6      -3.916  -5.757  -1.912  1.00  1.42           H  
ATOM     89 HG21 THR A   6      -2.269  -7.829   1.093  1.00  1.65           H  
ATOM     90 HG22 THR A   6      -3.216  -8.511  -0.230  1.00  1.51           H  
ATOM     91 HG23 THR A   6      -4.020  -7.616   1.059  1.00  1.61           H  
ATOM     92  N   GLU A   7      -3.190  -3.225  -0.654  1.00  0.70           N  
ATOM     93  CA  GLU A   7      -2.873  -1.976  -1.419  1.00  0.86           C  
ATOM     94  C   GLU A   7      -2.130  -0.989  -0.510  1.00  0.72           C  
ATOM     95  O   GLU A   7      -1.146  -0.391  -0.907  1.00  0.79           O  
ATOM     96  CB  GLU A   7      -4.229  -1.401  -1.845  1.00  1.16           C  
ATOM     97  CG  GLU A   7      -4.881  -2.318  -2.887  1.00  1.41           C  
ATOM     98  CD  GLU A   7      -4.200  -2.126  -4.245  1.00  1.81           C  
ATOM     99  OE1 GLU A   7      -4.584  -1.212  -4.956  1.00  2.28           O  
ATOM    100  OE2 GLU A   7      -3.305  -2.898  -4.551  1.00  2.29           O  
ATOM    101  H   GLU A   7      -4.125  -3.481  -0.506  1.00  0.71           H  
ATOM    102  HA  GLU A   7      -2.278  -2.208  -2.288  1.00  1.01           H  
ATOM    103  HB2 GLU A   7      -4.874  -1.324  -0.981  1.00  1.65           H  
ATOM    104  HB3 GLU A   7      -4.085  -0.420  -2.273  1.00  1.64           H  
ATOM    105  HG2 GLU A   7      -4.778  -3.347  -2.574  1.00  1.68           H  
ATOM    106  HG3 GLU A   7      -5.929  -2.073  -2.975  1.00  1.98           H  
ATOM    107  N   THR A   8      -2.588  -0.826   0.711  1.00  0.67           N  
ATOM    108  CA  THR A   8      -1.911   0.104   1.662  1.00  0.79           C  
ATOM    109  C   THR A   8      -0.498  -0.406   1.975  1.00  0.68           C  
ATOM    110  O   THR A   8       0.436   0.365   2.066  1.00  0.83           O  
ATOM    111  CB  THR A   8      -2.776   0.098   2.930  1.00  0.98           C  
ATOM    112  OG1 THR A   8      -4.148  -0.107   2.595  1.00  1.22           O  
ATOM    113  CG2 THR A   8      -2.623   1.436   3.638  1.00  1.23           C  
ATOM    114  H   THR A   8      -3.377  -1.324   1.008  1.00  0.68           H  
ATOM    115  HA  THR A   8      -1.868   1.100   1.247  1.00  0.97           H  
ATOM    116  HB  THR A   8      -2.446  -0.690   3.589  1.00  1.07           H  
ATOM    117  HG1 THR A   8      -4.426   0.607   2.015  1.00  1.47           H  
ATOM    118 HG21 THR A   8      -1.604   1.778   3.535  1.00  1.55           H  
ATOM    119 HG22 THR A   8      -2.864   1.320   4.683  1.00  1.78           H  
ATOM    120 HG23 THR A   8      -3.291   2.153   3.189  1.00  1.65           H  
ATOM    121  N   GLU A   9      -0.333  -1.700   2.123  1.00  0.62           N  
ATOM    122  CA  GLU A   9       1.028  -2.256   2.409  1.00  0.80           C  
ATOM    123  C   GLU A   9       1.983  -1.898   1.267  1.00  0.71           C  
ATOM    124  O   GLU A   9       3.150  -1.631   1.478  1.00  0.84           O  
ATOM    125  CB  GLU A   9       0.842  -3.774   2.495  1.00  1.03           C  
ATOM    126  CG  GLU A   9       0.289  -4.147   3.873  1.00  1.52           C  
ATOM    127  CD  GLU A   9      -0.421  -5.502   3.792  1.00  2.06           C  
ATOM    128  OE1 GLU A   9       0.262  -6.500   3.630  1.00  2.51           O  
ATOM    129  OE2 GLU A   9      -1.637  -5.519   3.894  1.00  2.66           O  
ATOM    130  H   GLU A   9      -1.100  -2.305   2.034  1.00  0.61           H  
ATOM    131  HA  GLU A   9       1.400  -1.874   3.338  1.00  0.97           H  
ATOM    132  HB2 GLU A   9       0.152  -4.096   1.730  1.00  1.17           H  
ATOM    133  HB3 GLU A   9       1.795  -4.261   2.349  1.00  1.36           H  
ATOM    134  HG2 GLU A   9       1.102  -4.207   4.582  1.00  1.90           H  
ATOM    135  HG3 GLU A   9      -0.414  -3.393   4.194  1.00  1.92           H  
ATOM    136  N   ARG A  10       1.476  -1.880   0.062  1.00  0.65           N  
ATOM    137  CA  ARG A  10       2.321  -1.530  -1.122  1.00  0.78           C  
ATOM    138  C   ARG A  10       2.626  -0.025  -1.147  1.00  0.74           C  
ATOM    139  O   ARG A  10       3.671   0.387  -1.615  1.00  0.84           O  
ATOM    140  CB  ARG A  10       1.489  -1.931  -2.345  1.00  1.04           C  
ATOM    141  CG  ARG A  10       1.866  -3.350  -2.781  1.00  1.46           C  
ATOM    142  CD  ARG A  10       3.108  -3.300  -3.684  1.00  1.98           C  
ATOM    143  NE  ARG A  10       2.731  -4.034  -4.929  1.00  2.60           N  
ATOM    144  CZ  ARG A  10       2.639  -5.340  -4.922  1.00  3.31           C  
ATOM    145  NH1 ARG A  10       3.724  -6.072  -4.959  1.00  3.87           N  
ATOM    146  NH2 ARG A  10       1.463  -5.912  -4.879  1.00  4.00           N  
ATOM    147  H   ARG A  10       0.529  -2.092  -0.060  1.00  0.63           H  
ATOM    148  HA  ARG A  10       3.239  -2.095  -1.104  1.00  0.88           H  
ATOM    149  HB2 ARG A  10       0.439  -1.899  -2.093  1.00  1.32           H  
ATOM    150  HB3 ARG A  10       1.684  -1.244  -3.155  1.00  1.50           H  
ATOM    151  HG2 ARG A  10       2.079  -3.948  -1.907  1.00  1.85           H  
ATOM    152  HG3 ARG A  10       1.042  -3.789  -3.324  1.00  2.03           H  
ATOM    153  HD2 ARG A  10       3.362  -2.275  -3.914  1.00  2.51           H  
ATOM    154  HD3 ARG A  10       3.939  -3.793  -3.203  1.00  2.18           H  
ATOM    155  HE  ARG A  10       2.560  -3.536  -5.758  1.00  2.89           H  
ATOM    156 HH11 ARG A  10       4.622  -5.634  -4.994  1.00  3.83           H  
ATOM    157 HH12 ARG A  10       3.655  -7.070  -4.954  1.00  4.65           H  
ATOM    158 HH21 ARG A  10       0.635  -5.353  -4.853  1.00  4.06           H  
ATOM    159 HH22 ARG A  10       1.392  -6.910  -4.874  1.00  4.75           H  
ATOM    160  N   CYS A  11       1.733   0.799  -0.641  1.00  0.74           N  
ATOM    161  CA  CYS A  11       1.996   2.277  -0.636  1.00  0.94           C  
ATOM    162  C   CYS A  11       2.964   2.636   0.504  1.00  0.86           C  
ATOM    163  O   CYS A  11       3.722   3.581   0.406  1.00  1.00           O  
ATOM    164  CB  CYS A  11       0.628   2.961  -0.454  1.00  1.20           C  
ATOM    165  SG  CYS A  11       0.185   3.053   1.300  1.00  2.11           S  
ATOM    166  H   CYS A  11       0.901   0.445  -0.257  1.00  0.70           H  
ATOM    167  HA  CYS A  11       2.424   2.573  -1.582  1.00  1.07           H  
ATOM    168  HB2 CYS A  11       0.679   3.960  -0.853  1.00  1.64           H  
ATOM    169  HB3 CYS A  11      -0.129   2.406  -0.988  1.00  1.46           H  
ATOM    170  HG  CYS A  11       0.626   3.817   1.678  1.00  2.51           H  
ATOM    171  N   ILE A  12       2.954   1.873   1.574  1.00  0.78           N  
ATOM    172  CA  ILE A  12       3.885   2.148   2.713  1.00  0.94           C  
ATOM    173  C   ILE A  12       5.287   1.637   2.359  1.00  0.73           C  
ATOM    174  O   ILE A  12       6.276   2.317   2.561  1.00  0.78           O  
ATOM    175  CB  ILE A  12       3.312   1.369   3.907  1.00  1.19           C  
ATOM    176  CG1 ILE A  12       1.951   1.956   4.298  1.00  1.45           C  
ATOM    177  CG2 ILE A  12       4.270   1.474   5.099  1.00  1.49           C  
ATOM    178  CD1 ILE A  12       1.231   1.001   5.253  1.00  1.76           C  
ATOM    179  H   ILE A  12       2.343   1.110   1.622  1.00  0.72           H  
ATOM    180  HA  ILE A  12       3.912   3.202   2.935  1.00  1.14           H  
ATOM    181  HB  ILE A  12       3.193   0.330   3.633  1.00  1.09           H  
ATOM    182 HG12 ILE A  12       2.101   2.906   4.781  1.00  1.64           H  
ATOM    183 HG13 ILE A  12       1.350   2.097   3.414  1.00  1.30           H  
ATOM    184 HG21 ILE A  12       5.187   0.950   4.872  1.00  1.89           H  
ATOM    185 HG22 ILE A  12       3.811   1.032   5.971  1.00  1.91           H  
ATOM    186 HG23 ILE A  12       4.489   2.513   5.296  1.00  1.77           H  
ATOM    187 HD11 ILE A  12       1.200   0.012   4.819  1.00  2.16           H  
ATOM    188 HD12 ILE A  12       0.223   1.351   5.421  1.00  2.09           H  
ATOM    189 HD13 ILE A  12       1.760   0.965   6.194  1.00  2.03           H  
ATOM    190  N   GLU A  13       5.364   0.440   1.827  1.00  0.65           N  
ATOM    191  CA  GLU A  13       6.689  -0.148   1.440  1.00  0.74           C  
ATOM    192  C   GLU A  13       7.380   0.723   0.378  1.00  0.55           C  
ATOM    193  O   GLU A  13       8.581   0.916   0.416  1.00  0.72           O  
ATOM    194  CB  GLU A  13       6.362  -1.530   0.863  1.00  0.98           C  
ATOM    195  CG  GLU A  13       6.232  -2.546   2.003  1.00  1.58           C  
ATOM    196  CD  GLU A  13       5.759  -3.891   1.442  1.00  2.33           C  
ATOM    197  OE1 GLU A  13       6.596  -4.639   0.963  1.00  2.75           O  
ATOM    198  OE2 GLU A  13       4.568  -4.151   1.503  1.00  3.11           O  
ATOM    199  H   GLU A  13       4.542  -0.073   1.679  1.00  0.70           H  
ATOM    200  HA  GLU A  13       7.320  -0.255   2.309  1.00  0.93           H  
ATOM    201  HB2 GLU A  13       5.431  -1.481   0.316  1.00  1.01           H  
ATOM    202  HB3 GLU A  13       7.154  -1.839   0.198  1.00  1.22           H  
ATOM    203  HG2 GLU A  13       7.193  -2.673   2.481  1.00  1.88           H  
ATOM    204  HG3 GLU A  13       5.515  -2.187   2.725  1.00  2.07           H  
ATOM    205  N   SER A  14       6.630   1.252  -0.565  1.00  0.52           N  
ATOM    206  CA  SER A  14       7.240   2.114  -1.626  1.00  0.72           C  
ATOM    207  C   SER A  14       7.772   3.419  -1.016  1.00  0.73           C  
ATOM    208  O   SER A  14       8.835   3.887  -1.378  1.00  0.87           O  
ATOM    209  CB  SER A  14       6.111   2.400  -2.623  1.00  0.99           C  
ATOM    210  OG  SER A  14       4.986   2.936  -1.936  1.00  0.96           O  
ATOM    211  H   SER A  14       5.664   1.085  -0.572  1.00  0.60           H  
ATOM    212  HA  SER A  14       8.038   1.583  -2.122  1.00  0.86           H  
ATOM    213  HB2 SER A  14       6.449   3.113  -3.349  1.00  1.25           H  
ATOM    214  HB3 SER A  14       5.834   1.483  -3.128  1.00  1.19           H  
ATOM    215  HG  SER A  14       4.956   3.880  -2.107  1.00  1.34           H  
ATOM    216  N   LEU A  15       7.048   4.001  -0.084  1.00  0.85           N  
ATOM    217  CA  LEU A  15       7.521   5.271   0.561  1.00  1.12           C  
ATOM    218  C   LEU A  15       8.822   5.012   1.337  1.00  1.00           C  
ATOM    219  O   LEU A  15       9.703   5.850   1.380  1.00  1.21           O  
ATOM    220  CB  LEU A  15       6.401   5.690   1.523  1.00  1.38           C  
ATOM    221  CG  LEU A  15       5.254   6.335   0.738  1.00  1.65           C  
ATOM    222  CD1 LEU A  15       4.011   6.419   1.628  1.00  1.91           C  
ATOM    223  CD2 LEU A  15       5.660   7.746   0.300  1.00  1.91           C  
ATOM    224  H   LEU A  15       6.198   3.598   0.195  1.00  0.93           H  
ATOM    225  HA  LEU A  15       7.674   6.037  -0.183  1.00  1.31           H  
ATOM    226  HB2 LEU A  15       6.034   4.821   2.049  1.00  1.30           H  
ATOM    227  HB3 LEU A  15       6.789   6.402   2.237  1.00  1.55           H  
ATOM    228  HG  LEU A  15       5.032   5.735  -0.133  1.00  1.55           H  
ATOM    229 HD11 LEU A  15       4.191   7.116   2.433  1.00  2.20           H  
ATOM    230 HD12 LEU A  15       3.795   5.444   2.038  1.00  2.43           H  
ATOM    231 HD13 LEU A  15       3.170   6.757   1.040  1.00  2.01           H  
ATOM    232 HD21 LEU A  15       4.820   8.232  -0.173  1.00  2.30           H  
ATOM    233 HD22 LEU A  15       6.480   7.683  -0.400  1.00  2.28           H  
ATOM    234 HD23 LEU A  15       5.967   8.317   1.164  1.00  2.08           H  
ATOM    235  N   ILE A  16       8.945   3.851   1.937  1.00  0.78           N  
ATOM    236  CA  ILE A  16      10.190   3.514   2.705  1.00  0.88           C  
ATOM    237  C   ILE A  16      11.370   3.344   1.736  1.00  0.86           C  
ATOM    238  O   ILE A  16      12.463   3.812   1.993  1.00  1.22           O  
ATOM    239  CB  ILE A  16       9.882   2.190   3.426  1.00  0.99           C  
ATOM    240  CG1 ILE A  16       8.865   2.437   4.550  1.00  1.49           C  
ATOM    241  CG2 ILE A  16      11.162   1.606   4.028  1.00  1.30           C  
ATOM    242  CD1 ILE A  16       8.182   1.120   4.928  1.00  1.82           C  
ATOM    243  H   ILE A  16       8.218   3.195   1.874  1.00  0.67           H  
ATOM    244  HA  ILE A  16      10.406   4.287   3.427  1.00  1.10           H  
ATOM    245  HB  ILE A  16       9.476   1.486   2.720  1.00  1.06           H  
ATOM    246 HG12 ILE A  16       9.376   2.838   5.413  1.00  1.80           H  
ATOM    247 HG13 ILE A  16       8.119   3.142   4.218  1.00  1.67           H  
ATOM    248 HG21 ILE A  16      11.559   2.286   4.766  1.00  1.74           H  
ATOM    249 HG22 ILE A  16      11.891   1.455   3.246  1.00  1.85           H  
ATOM    250 HG23 ILE A  16      10.936   0.658   4.495  1.00  1.66           H  
ATOM    251 HD11 ILE A  16       7.905   1.145   5.971  1.00  2.39           H  
ATOM    252 HD12 ILE A  16       8.863   0.298   4.756  1.00  2.12           H  
ATOM    253 HD13 ILE A  16       7.298   0.986   4.323  1.00  1.99           H  
ATOM    254  N   ALA A  17      11.151   2.679   0.624  1.00  0.81           N  
ATOM    255  CA  ALA A  17      12.253   2.477  -0.370  1.00  1.07           C  
ATOM    256  C   ALA A  17      12.614   3.807  -1.048  1.00  1.26           C  
ATOM    257  O   ALA A  17      11.708   4.492  -1.499  1.00  1.84           O  
ATOM    258  CB  ALA A  17      11.694   1.482  -1.392  1.00  1.22           C  
ATOM    259  OXT ALA A  17      13.792   4.119  -1.101  1.00  1.60           O  
ATOM    260  H   ALA A  17      10.258   2.315   0.442  1.00  0.88           H  
ATOM    261  HA  ALA A  17      13.120   2.056   0.115  1.00  1.28           H  
ATOM    262  HB1 ALA A  17      10.768   1.864  -1.798  1.00  1.50           H  
ATOM    263  HB2 ALA A  17      11.512   0.534  -0.909  1.00  1.77           H  
ATOM    264  HB3 ALA A  17      12.409   1.347  -2.191  1.00  1.61           H  
TER     265      ALA A  17                                                      
MASTER       97    0    0    1    0    0    0    6  130    1    0    2          
END