HEADER    PROTEINASE INHIBITOR(TRYPSIN)           21-OCT-94   1AMB              
TITLE     SOLUTION STRUCTURE OF RESIDUES 1-28 OF THE AMYLOID BETA-              
TITLE    2 PEPTIDE                                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: AMYLOID BETA-PEPTIDE;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606                                                 
KEYWDS    PROTEINASE INHIBITOR(TRYPSIN)                                         
EXPDTA    SOLUTION NMR                                                          
AUTHOR    J.TALAFOUS,K.J.MARCINOWSKI,G.KLOPMAN,M.G.ZAGORSKI                     
REVDAT   2   24-FEB-09 1AMB    1       VERSN                                    
REVDAT   1   20-DEC-94 1AMB    0                                                
JRNL        AUTH   J.TALAFOUS,K.J.MARCINOWSKI,G.KLOPMAN,M.G.ZAGORSKI            
JRNL        TITL   SOLUTION STRUCTURE OF RESIDUES 1-28 OF THE AMYLOID           
JRNL        TITL 2 BETA-PEPTIDE.                                                
JRNL        REF    BIOCHEMISTRY                  V.  33  7788 1994              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   7516706                                                      
JRNL        DOI    10.1021/BI00191A006                                          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   M.G.ZAGORSKI,C.J.BARROW                                      
REMARK   1  TITL   NMR STUDIES OF AMYLOID BETA-PEPTIDES: PROTON                 
REMARK   1  TITL 2 ASSIGNMENTS SECONDARY STRUCTURE, AND MECHANISM OF            
REMARK   1  TITL 3 AN ALPHA-HELIX TO BETA-SHEET CONVERSION FOR A                
REMARK   1  TITL 4 HOMOLOGOUS, 28-RESIDUE N-TERMINAL FRAGMENT                   
REMARK   1  REF    BIOCHEMISTRY                  V.  31  5621 1992              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   C.J.BARROW,M.G.ZAGORSKI                                      
REMARK   1  TITL   SOLUTION STRUCTURES OF BETA-PEPTIDE AND ITS                  
REMARK   1  TITL 2 CONSTITUENT FRAGMENTS: RELATION TO AMYLOID                   
REMARK   1  TITL 3 DEPOSITION                                                   
REMARK   1  REF    SCIENCE                       V. 253   179 1991              
REMARK   1  REFN                   ISSN 0036-8075                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.0, GENERATE,DGSA,ACCEPT,AVERAGE,AND         
REMARK   3                 REFINE PROTOCOLS                                     
REMARK   3   AUTHORS     : BRUNGER (X-PLOR), NILGES,GRONENBORN,BRUNGER,         
REMARK   3                 CLORE,KUSZEWSKI (GENERATE,DGSA,ACCEPT,AVERAGE,       
REMARK   3                 AND REFINE PROTOCOLS)                                
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1AMB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : NULL                               
REMARK 210  PH                             : NULL                               
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : NULL                               
REMARK 210  SPECTROMETER MODEL             : NULL                               
REMARK 210  SPECTROMETER MANUFACTURER      : NULL                               
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NULL                               
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 : NULL                
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 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    HIS A   6      -70.06    -76.41                                   
REMARK 500    ASN A  27       51.47   -108.32                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1AMC   RELATED DB: PDB                                   
DBREF  1AMB A    1    28  UNP    P05067   A4_HUMAN       672    699             
SEQRES   1 A   28  ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS          
SEQRES   2 A   28  HIS GLN LYS LEU VAL PHE PHE ALA GLU ASP VAL GLY SER          
SEQRES   3 A   28  ASN LYS                                                      
HELIX    1  H1 PHE A    4  GLY A   25  1MOST DEFINED HELICAL REGION       22    
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   ASP A   1      19.788  -0.621   1.055  1.00  1.74           N  
ATOM      2  CA  ASP A   1      19.047   0.403   1.844  1.00  1.20           C  
ATOM      3  C   ASP A   1      17.882   0.943   1.013  1.00  0.95           C  
ATOM      4  O   ASP A   1      16.729   0.748   1.343  1.00  0.94           O  
ATOM      5  CB  ASP A   1      19.992   1.551   2.204  1.00  2.16           C  
ATOM      6  CG  ASP A   1      19.184   2.719   2.772  1.00  2.77           C  
ATOM      7  OD1 ASP A   1      18.837   2.661   3.940  1.00  3.39           O  
ATOM      8  OD2 ASP A   1      18.925   3.651   2.029  1.00  3.18           O  
ATOM      9  H1  ASP A   1      19.183  -0.966   0.281  1.00  2.24           H  
ATOM     10  H2  ASP A   1      20.651  -0.198   0.659  1.00  2.26           H  
ATOM     11  H3  ASP A   1      20.047  -1.416   1.673  1.00  2.14           H  
ATOM     12  HA  ASP A   1      18.666  -0.047   2.749  1.00  1.56           H  
ATOM     13  HB2 ASP A   1      20.705   1.212   2.942  1.00  2.62           H  
ATOM     14  HB3 ASP A   1      20.517   1.876   1.319  1.00  2.71           H  
ATOM     15  N   ALA A   2      18.173   1.620  -0.064  1.00  0.85           N  
ATOM     16  CA  ALA A   2      17.083   2.172  -0.915  1.00  0.76           C  
ATOM     17  C   ALA A   2      16.209   1.027  -1.431  1.00  0.57           C  
ATOM     18  O   ALA A   2      15.036   0.942  -1.124  1.00  0.50           O  
ATOM     19  CB  ALA A   2      17.697   2.919  -2.099  1.00  0.94           C  
ATOM     20  H   ALA A   2      19.109   1.767  -0.314  1.00  0.92           H  
ATOM     21  HA  ALA A   2      16.480   2.853  -0.333  1.00  0.85           H  
ATOM     22  HB1 ALA A   2      18.768   2.779  -2.096  1.00  1.40           H  
ATOM     23  HB2 ALA A   2      17.286   2.535  -3.020  1.00  1.40           H  
ATOM     24  HB3 ALA A   2      17.472   3.972  -2.015  1.00  1.43           H  
ATOM     25  N   GLU A   3      16.770   0.146  -2.213  1.00  0.58           N  
ATOM     26  CA  GLU A   3      15.970  -0.991  -2.747  1.00  0.57           C  
ATOM     27  C   GLU A   3      15.295  -1.739  -1.597  1.00  0.50           C  
ATOM     28  O   GLU A   3      14.219  -2.283  -1.745  1.00  0.51           O  
ATOM     29  CB  GLU A   3      16.876  -1.937  -3.506  1.00  0.80           C  
ATOM     30  CG  GLU A   3      17.986  -2.449  -2.587  1.00  0.91           C  
ATOM     31  CD  GLU A   3      18.572  -3.739  -3.164  1.00  1.54           C  
ATOM     32  OE1 GLU A   3      18.000  -4.256  -4.109  1.00  2.12           O  
ATOM     33  OE2 GLU A   3      19.584  -4.188  -2.650  1.00  2.19           O  
ATOM     34  H   GLU A   3      17.717   0.232  -2.449  1.00  0.69           H  
ATOM     35  HA  GLU A   3      15.226  -0.622  -3.425  1.00  0.57           H  
ATOM     36  HB2 GLU A   3      16.289  -2.762  -3.870  1.00  0.88           H  
ATOM     37  HB3 GLU A   3      17.307  -1.410  -4.338  1.00  0.87           H  
ATOM     38  HG2 GLU A   3      18.763  -1.702  -2.510  1.00  1.16           H  
ATOM     39  HG3 GLU A   3      17.579  -2.648  -1.607  1.00  1.13           H  
ATOM     40  N   PHE A   4      15.919  -1.772  -0.451  1.00  0.53           N  
ATOM     41  CA  PHE A   4      15.312  -2.486   0.706  1.00  0.62           C  
ATOM     42  C   PHE A   4      13.972  -1.841   1.065  1.00  0.46           C  
ATOM     43  O   PHE A   4      12.924  -2.442   0.921  1.00  0.42           O  
ATOM     44  CB  PHE A   4      16.251  -2.409   1.902  1.00  0.84           C  
ATOM     45  CG  PHE A   4      16.629  -3.811   2.297  1.00  1.11           C  
ATOM     46  CD1 PHE A   4      17.422  -4.587   1.444  1.00  1.79           C  
ATOM     47  CD2 PHE A   4      16.182  -4.337   3.512  1.00  1.67           C  
ATOM     48  CE1 PHE A   4      17.772  -5.892   1.810  1.00  2.02           C  
ATOM     49  CE2 PHE A   4      16.532  -5.642   3.881  1.00  1.89           C  
ATOM     50  CZ  PHE A   4      17.328  -6.419   3.030  1.00  1.69           C  
ATOM     51  H   PHE A   4      16.786  -1.327  -0.353  1.00  0.56           H  
ATOM     52  HA  PHE A   4      15.158  -3.524   0.452  1.00  0.74           H  
ATOM     53  HB2 PHE A   4      17.138  -1.854   1.632  1.00  0.84           H  
ATOM     54  HB3 PHE A   4      15.753  -1.923   2.726  1.00  0.86           H  
ATOM     55  HD1 PHE A   4      17.759  -4.179   0.500  1.00  2.49           H  
ATOM     56  HD2 PHE A   4      15.565  -3.736   4.164  1.00  2.35           H  
ATOM     57  HE1 PHE A   4      18.385  -6.491   1.154  1.00  2.79           H  
ATOM     58  HE2 PHE A   4      16.187  -6.048   4.820  1.00  2.61           H  
ATOM     59  HZ  PHE A   4      17.598  -7.426   3.313  1.00  1.93           H  
ATOM     60  N   ARG A   5      13.995  -0.621   1.531  1.00  0.47           N  
ATOM     61  CA  ARG A   5      12.720   0.057   1.897  1.00  0.49           C  
ATOM     62  C   ARG A   5      11.904   0.335   0.638  1.00  0.36           C  
ATOM     63  O   ARG A   5      10.762   0.746   0.700  1.00  0.45           O  
ATOM     64  CB  ARG A   5      13.021   1.373   2.619  1.00  0.66           C  
ATOM     65  CG  ARG A   5      14.099   1.155   3.668  1.00  1.19           C  
ATOM     66  CD  ARG A   5      14.336   2.479   4.366  1.00  1.31           C  
ATOM     67  NE  ARG A   5      15.325   2.302   5.467  1.00  2.27           N  
ATOM     68  CZ  ARG A   5      15.901   3.343   6.005  1.00  2.91           C  
ATOM     69  NH1 ARG A   5      15.614   4.545   5.582  1.00  3.06           N  
ATOM     70  NH2 ARG A   5      16.766   3.182   6.969  1.00  3.80           N  
ATOM     71  H   ARG A   5      14.849  -0.153   1.639  1.00  0.53           H  
ATOM     72  HA  ARG A   5      12.156  -0.587   2.542  1.00  0.56           H  
ATOM     73  HB2 ARG A   5      13.365   2.109   1.911  1.00  0.97           H  
ATOM     74  HB3 ARG A   5      12.129   1.736   3.104  1.00  1.07           H  
ATOM     75  HG2 ARG A   5      13.770   0.417   4.383  1.00  1.62           H  
ATOM     76  HG3 ARG A   5      15.012   0.831   3.196  1.00  1.56           H  
ATOM     77  HD2 ARG A   5      14.711   3.190   3.647  1.00  1.26           H  
ATOM     78  HD3 ARG A   5      13.399   2.833   4.768  1.00  1.32           H  
ATOM     79  HE  ARG A   5      15.543   1.402   5.788  1.00  2.75           H  
ATOM     80 HH11 ARG A   5      14.952   4.672   4.844  1.00  2.60           H  
ATOM     81 HH12 ARG A   5      16.058   5.339   5.997  1.00  3.87           H  
ATOM     82 HH21 ARG A   5      16.987   2.263   7.294  1.00  4.04           H  
ATOM     83 HH22 ARG A   5      17.209   3.978   7.382  1.00  4.42           H  
ATOM     84  N   HIS A   6      12.479   0.101  -0.502  1.00  0.23           N  
ATOM     85  CA  HIS A   6      11.741   0.337  -1.773  1.00  0.29           C  
ATOM     86  C   HIS A   6      10.750  -0.805  -1.984  1.00  0.26           C  
ATOM     87  O   HIS A   6       9.554  -0.628  -1.876  1.00  0.32           O  
ATOM     88  CB  HIS A   6      12.726   0.381  -2.943  1.00  0.37           C  
ATOM     89  CG  HIS A   6      12.063   1.019  -4.133  1.00  0.62           C  
ATOM     90  ND1 HIS A   6      12.542   2.188  -4.705  1.00  1.00           N  
ATOM     91  CD2 HIS A   6      10.959   0.666  -4.871  1.00  0.67           C  
ATOM     92  CE1 HIS A   6      11.736   2.493  -5.739  1.00  1.19           C  
ATOM     93  NE2 HIS A   6      10.755   1.598  -5.884  1.00  0.98           N  
ATOM     94  H   HIS A   6      13.392  -0.240  -0.520  1.00  0.23           H  
ATOM     95  HA  HIS A   6      11.206   1.274  -1.713  1.00  0.42           H  
ATOM     96  HB2 HIS A   6      13.594   0.958  -2.660  1.00  0.39           H  
ATOM     97  HB3 HIS A   6      13.029  -0.624  -3.196  1.00  0.42           H  
ATOM     98  HD1 HIS A   6      13.325   2.699  -4.411  1.00  1.15           H  
ATOM     99  HD2 HIS A   6      10.342  -0.203  -4.693  1.00  0.62           H  
ATOM    100  HE1 HIS A   6      11.867   3.357  -6.374  1.00  1.51           H  
ATOM    101  N   ASP A   7      11.240  -1.979  -2.274  1.00  0.24           N  
ATOM    102  CA  ASP A   7      10.326  -3.136  -2.481  1.00  0.29           C  
ATOM    103  C   ASP A   7       9.437  -3.299  -1.248  1.00  0.25           C  
ATOM    104  O   ASP A   7       8.255  -3.559  -1.354  1.00  0.28           O  
ATOM    105  CB  ASP A   7      11.150  -4.408  -2.689  1.00  0.36           C  
ATOM    106  CG  ASP A   7      12.361  -4.095  -3.570  1.00  1.44           C  
ATOM    107  OD1 ASP A   7      12.171  -3.483  -4.608  1.00  2.26           O  
ATOM    108  OD2 ASP A   7      13.458  -4.472  -3.192  1.00  2.16           O  
ATOM    109  H   ASP A   7      12.210  -2.101  -2.348  1.00  0.26           H  
ATOM    110  HA  ASP A   7       9.710  -2.958  -3.350  1.00  0.36           H  
ATOM    111  HB2 ASP A   7      11.487  -4.780  -1.732  1.00  1.01           H  
ATOM    112  HB3 ASP A   7      10.541  -5.157  -3.172  1.00  0.95           H  
ATOM    113  N   SER A   8       9.994  -3.143  -0.077  1.00  0.25           N  
ATOM    114  CA  SER A   8       9.175  -3.284   1.159  1.00  0.30           C  
ATOM    115  C   SER A   8       7.972  -2.343   1.073  1.00  0.30           C  
ATOM    116  O   SER A   8       6.834  -2.772   1.051  1.00  0.31           O  
ATOM    117  CB  SER A   8      10.022  -2.920   2.378  1.00  0.36           C  
ATOM    118  OG  SER A   8       9.404  -3.436   3.550  1.00  1.14           O  
ATOM    119  H   SER A   8      10.950  -2.929  -0.011  1.00  0.25           H  
ATOM    120  HA  SER A   8       8.830  -4.303   1.249  1.00  0.34           H  
ATOM    121  HB2 SER A   8      11.005  -3.349   2.278  1.00  0.85           H  
ATOM    122  HB3 SER A   8      10.107  -1.843   2.448  1.00  0.86           H  
ATOM    123  HG  SER A   8      10.029  -4.024   3.981  1.00  1.57           H  
ATOM    124  N   GLY A   9       8.214  -1.061   1.016  1.00  0.34           N  
ATOM    125  CA  GLY A   9       7.085  -0.094   0.924  1.00  0.40           C  
ATOM    126  C   GLY A   9       6.416  -0.223  -0.446  1.00  0.42           C  
ATOM    127  O   GLY A   9       5.398   0.384  -0.710  1.00  0.48           O  
ATOM    128  H   GLY A   9       9.139  -0.735   1.029  1.00  0.34           H  
ATOM    129  HA2 GLY A   9       6.364  -0.308   1.700  1.00  0.42           H  
ATOM    130  HA3 GLY A   9       7.459   0.911   1.045  1.00  0.45           H  
ATOM    131  N   TYR A  10       6.984  -1.006  -1.323  1.00  0.39           N  
ATOM    132  CA  TYR A  10       6.392  -1.176  -2.672  1.00  0.44           C  
ATOM    133  C   TYR A  10       5.119  -2.015  -2.578  1.00  0.43           C  
ATOM    134  O   TYR A  10       4.038  -1.574  -2.930  1.00  0.44           O  
ATOM    135  CB  TYR A  10       7.398  -1.900  -3.559  1.00  0.46           C  
ATOM    136  CG  TYR A  10       7.065  -1.633  -4.996  1.00  0.54           C  
ATOM    137  CD1 TYR A  10       7.347  -0.383  -5.550  1.00  1.35           C  
ATOM    138  CD2 TYR A  10       6.476  -2.633  -5.772  1.00  1.34           C  
ATOM    139  CE1 TYR A  10       7.039  -0.128  -6.890  1.00  1.39           C  
ATOM    140  CE2 TYR A  10       6.168  -2.383  -7.114  1.00  1.39           C  
ATOM    141  CZ  TYR A  10       6.449  -1.129  -7.674  1.00  0.72           C  
ATOM    142  OH  TYR A  10       6.146  -0.880  -8.997  1.00  0.82           O  
ATOM    143  H   TYR A  10       7.804  -1.483  -1.097  1.00  0.35           H  
ATOM    144  HA  TYR A  10       6.165  -0.211  -3.096  1.00  0.51           H  
ATOM    145  HB2 TYR A  10       8.393  -1.541  -3.347  1.00  0.46           H  
ATOM    146  HB3 TYR A  10       7.349  -2.962  -3.370  1.00  0.44           H  
ATOM    147  HD1 TYR A  10       7.799   0.386  -4.938  1.00  2.22           H  
ATOM    148  HD2 TYR A  10       6.259  -3.599  -5.333  1.00  2.21           H  
ATOM    149  HE1 TYR A  10       7.257   0.839  -7.320  1.00  2.27           H  
ATOM    150  HE2 TYR A  10       5.713  -3.154  -7.717  1.00  2.26           H  
ATOM    151  HH  TYR A  10       5.780  -1.684  -9.374  1.00  1.31           H  
ATOM    152  N   GLU A  11       5.234  -3.221  -2.100  1.00  0.42           N  
ATOM    153  CA  GLU A  11       4.033  -4.077  -1.985  1.00  0.42           C  
ATOM    154  C   GLU A  11       3.185  -3.538  -0.846  1.00  0.40           C  
ATOM    155  O   GLU A  11       1.978  -3.467  -0.924  1.00  0.40           O  
ATOM    156  CB  GLU A  11       4.449  -5.519  -1.686  1.00  0.42           C  
ATOM    157  CG  GLU A  11       4.374  -6.348  -2.970  1.00  0.92           C  
ATOM    158  CD  GLU A  11       4.775  -7.794  -2.668  1.00  1.38           C  
ATOM    159  OE1 GLU A  11       5.963  -8.069  -2.658  1.00  1.99           O  
ATOM    160  OE2 GLU A  11       3.886  -8.601  -2.452  1.00  1.99           O  
ATOM    161  H   GLU A  11       6.105  -3.556  -1.807  1.00  0.43           H  
ATOM    162  HA  GLU A  11       3.477  -4.038  -2.910  1.00  0.44           H  
ATOM    163  HB2 GLU A  11       5.460  -5.531  -1.307  1.00  0.71           H  
ATOM    164  HB3 GLU A  11       3.782  -5.941  -0.949  1.00  0.69           H  
ATOM    165  HG2 GLU A  11       3.365  -6.326  -3.355  1.00  1.38           H  
ATOM    166  HG3 GLU A  11       5.049  -5.936  -3.705  1.00  1.39           H  
ATOM    167  N   VAL A  12       3.816  -3.127   0.210  1.00  0.40           N  
ATOM    168  CA  VAL A  12       3.045  -2.566   1.344  1.00  0.40           C  
ATOM    169  C   VAL A  12       2.280  -1.364   0.840  1.00  0.41           C  
ATOM    170  O   VAL A  12       1.152  -1.120   1.217  1.00  0.40           O  
ATOM    171  CB  VAL A  12       4.002  -2.189   2.446  1.00  0.43           C  
ATOM    172  CG1 VAL A  12       3.355  -1.179   3.401  1.00  0.45           C  
ATOM    173  CG2 VAL A  12       4.310  -3.472   3.177  1.00  0.44           C  
ATOM    174  H   VAL A  12       4.800  -3.170   0.245  1.00  0.41           H  
ATOM    175  HA  VAL A  12       2.355  -3.310   1.715  1.00  0.39           H  
ATOM    176  HB  VAL A  12       4.908  -1.780   2.025  1.00  0.44           H  
ATOM    177 HG11 VAL A  12       2.288  -1.161   3.236  1.00  1.13           H  
ATOM    178 HG12 VAL A  12       3.557  -1.469   4.421  1.00  1.12           H  
ATOM    179 HG13 VAL A  12       3.765  -0.197   3.217  1.00  1.09           H  
ATOM    180 HG21 VAL A  12       4.741  -4.176   2.478  1.00  1.13           H  
ATOM    181 HG22 VAL A  12       4.997  -3.277   3.975  1.00  1.12           H  
ATOM    182 HG23 VAL A  12       3.389  -3.879   3.571  1.00  1.08           H  
ATOM    183  N   HIS A  13       2.872  -0.639  -0.054  1.00  0.43           N  
ATOM    184  CA  HIS A  13       2.153   0.516  -0.641  1.00  0.46           C  
ATOM    185  C   HIS A  13       0.852  -0.040  -1.191  1.00  0.43           C  
ATOM    186  O   HIS A  13      -0.230   0.364  -0.817  1.00  0.42           O  
ATOM    187  CB  HIS A  13       2.960   1.108  -1.792  1.00  0.50           C  
ATOM    188  CG  HIS A  13       2.110   2.106  -2.528  1.00  0.53           C  
ATOM    189  ND1 HIS A  13       2.425   3.455  -2.579  1.00  0.58           N  
ATOM    190  CD2 HIS A  13       0.946   1.966  -3.242  1.00  0.55           C  
ATOM    191  CE1 HIS A  13       1.467   4.067  -3.301  1.00  0.61           C  
ATOM    192  NE2 HIS A  13       0.542   3.205  -3.729  1.00  0.60           N  
ATOM    193  H   HIS A  13       3.769  -0.883  -0.362  1.00  0.44           H  
ATOM    194  HA  HIS A  13       1.957   1.264   0.113  1.00  0.47           H  
ATOM    195  HB2 HIS A  13       3.839   1.593  -1.405  1.00  0.52           H  
ATOM    196  HB3 HIS A  13       3.249   0.316  -2.469  1.00  0.50           H  
ATOM    197  HD1 HIS A  13       3.202   3.885  -2.165  1.00  0.61           H  
ATOM    198  HD2 HIS A  13       0.421   1.034  -3.399  1.00  0.56           H  
ATOM    199  HE1 HIS A  13       1.448   5.127  -3.508  1.00  0.66           H  
ATOM    200  N   HIS A  14       0.969  -1.001  -2.065  1.00  0.42           N  
ATOM    201  CA  HIS A  14      -0.247  -1.638  -2.641  1.00  0.40           C  
ATOM    202  C   HIS A  14      -1.175  -2.036  -1.489  1.00  0.37           C  
ATOM    203  O   HIS A  14      -2.378  -2.069  -1.632  1.00  0.37           O  
ATOM    204  CB  HIS A  14       0.165  -2.875  -3.473  1.00  0.41           C  
ATOM    205  CG  HIS A  14      -0.098  -4.162  -2.725  1.00  0.39           C  
ATOM    206  ND1 HIS A  14       0.925  -5.023  -2.362  1.00  0.39           N  
ATOM    207  CD2 HIS A  14      -1.253  -4.731  -2.246  1.00  0.37           C  
ATOM    208  CE1 HIS A  14       0.377  -6.047  -1.690  1.00  0.39           C  
ATOM    209  NE2 HIS A  14      -0.950  -5.923  -1.592  1.00  0.37           N  
ATOM    210  H   HIS A  14       1.865  -1.312  -2.329  1.00  0.44           H  
ATOM    211  HA  HIS A  14      -0.756  -0.927  -3.276  1.00  0.42           H  
ATOM    212  HB2 HIS A  14      -0.389  -2.884  -4.399  1.00  0.44           H  
ATOM    213  HB3 HIS A  14       1.220  -2.810  -3.692  1.00  0.43           H  
ATOM    214  HD1 HIS A  14       1.876  -4.906  -2.562  1.00  0.41           H  
ATOM    215  HD2 HIS A  14      -2.245  -4.318  -2.359  1.00  0.37           H  
ATOM    216  HE1 HIS A  14       0.947  -6.853  -1.248  1.00  0.40           H  
ATOM    217  N   GLN A  15      -0.615  -2.345  -0.350  1.00  0.37           N  
ATOM    218  CA  GLN A  15      -1.456  -2.743   0.810  1.00  0.36           C  
ATOM    219  C   GLN A  15      -2.331  -1.569   1.238  1.00  0.37           C  
ATOM    220  O   GLN A  15      -3.518  -1.708   1.441  1.00  0.35           O  
ATOM    221  CB  GLN A  15      -0.551  -3.140   1.974  1.00  0.38           C  
ATOM    222  CG  GLN A  15      -1.057  -4.441   2.584  1.00  0.40           C  
ATOM    223  CD  GLN A  15      -0.216  -5.603   2.062  1.00  0.42           C  
ATOM    224  OE1 GLN A  15      -0.096  -6.624   2.711  1.00  0.49           O  
ATOM    225  NE2 GLN A  15       0.376  -5.490   0.907  1.00  0.41           N  
ATOM    226  H   GLN A  15       0.363  -2.321  -0.258  1.00  0.39           H  
ATOM    227  HA  GLN A  15      -2.081  -3.578   0.536  1.00  0.35           H  
ATOM    228  HB2 GLN A  15       0.459  -3.276   1.615  1.00  0.38           H  
ATOM    229  HB3 GLN A  15      -0.566  -2.363   2.724  1.00  0.40           H  
ATOM    230  HG2 GLN A  15      -0.976  -4.390   3.658  1.00  0.42           H  
ATOM    231  HG3 GLN A  15      -2.089  -4.588   2.303  1.00  0.42           H  
ATOM    232 HE21 GLN A  15       0.276  -4.665   0.382  1.00  0.38           H  
ATOM    233 HE22 GLN A  15       0.925  -6.226   0.564  1.00  0.44           H  
ATOM    234  N   LYS A  16      -1.745  -0.419   1.388  1.00  0.42           N  
ATOM    235  CA  LYS A  16      -2.530   0.774   1.814  1.00  0.45           C  
ATOM    236  C   LYS A  16      -3.563   1.133   0.743  1.00  0.42           C  
ATOM    237  O   LYS A  16      -4.710   1.396   1.041  1.00  0.43           O  
ATOM    238  CB  LYS A  16      -1.583   1.957   2.018  1.00  0.52           C  
ATOM    239  CG  LYS A  16      -2.374   3.160   2.539  1.00  1.16           C  
ATOM    240  CD  LYS A  16      -2.821   4.027   1.375  1.00  0.83           C  
ATOM    241  CE  LYS A  16      -1.611   4.422   0.527  1.00  1.05           C  
ATOM    242  NZ  LYS A  16      -1.747   5.843   0.098  1.00  1.56           N  
ATOM    243  H   LYS A  16      -0.782  -0.342   1.228  1.00  0.44           H  
ATOM    244  HA  LYS A  16      -3.038   0.556   2.743  1.00  0.45           H  
ATOM    245  HB2 LYS A  16      -0.821   1.687   2.734  1.00  1.06           H  
ATOM    246  HB3 LYS A  16      -1.120   2.212   1.078  1.00  1.02           H  
ATOM    247  HG2 LYS A  16      -3.245   2.815   3.073  1.00  1.92           H  
ATOM    248  HG3 LYS A  16      -1.753   3.745   3.196  1.00  1.88           H  
ATOM    249  HD2 LYS A  16      -3.523   3.474   0.774  1.00  1.33           H  
ATOM    250  HD3 LYS A  16      -3.294   4.915   1.762  1.00  1.12           H  
ATOM    251  HE2 LYS A  16      -0.709   4.308   1.110  1.00  1.46           H  
ATOM    252  HE3 LYS A  16      -1.559   3.786  -0.345  1.00  1.63           H  
ATOM    253  HZ1 LYS A  16      -2.376   6.345   0.758  1.00  1.94           H  
ATOM    254  HZ2 LYS A  16      -0.812   6.296   0.095  1.00  1.96           H  
ATOM    255  HZ3 LYS A  16      -2.150   5.879  -0.860  1.00  2.05           H  
ATOM    256  N   LEU A  17      -3.166   1.157  -0.500  1.00  0.43           N  
ATOM    257  CA  LEU A  17      -4.120   1.509  -1.579  1.00  0.43           C  
ATOM    258  C   LEU A  17      -5.226   0.454  -1.661  1.00  0.37           C  
ATOM    259  O   LEU A  17      -6.351   0.745  -2.021  1.00  0.35           O  
ATOM    260  CB  LEU A  17      -3.354   1.558  -2.896  1.00  0.47           C  
ATOM    261  CG  LEU A  17      -3.669   2.866  -3.623  1.00  0.54           C  
ATOM    262  CD1 LEU A  17      -5.181   3.097  -3.629  1.00  0.70           C  
ATOM    263  CD2 LEU A  17      -2.979   4.024  -2.900  1.00  0.81           C  
ATOM    264  H   LEU A  17      -2.237   0.949  -0.729  1.00  0.46           H  
ATOM    265  HA  LEU A  17      -4.555   2.476  -1.378  1.00  0.46           H  
ATOM    266  HB2 LEU A  17      -2.292   1.506  -2.689  1.00  0.50           H  
ATOM    267  HB3 LEU A  17      -3.642   0.722  -3.511  1.00  0.45           H  
ATOM    268  HG  LEU A  17      -3.309   2.808  -4.641  1.00  0.78           H  
ATOM    269 HD11 LEU A  17      -5.690   2.145  -3.655  1.00  1.34           H  
ATOM    270 HD12 LEU A  17      -5.466   3.633  -2.736  1.00  1.26           H  
ATOM    271 HD13 LEU A  17      -5.454   3.675  -4.499  1.00  1.26           H  
ATOM    272 HD21 LEU A  17      -2.000   3.710  -2.569  1.00  1.47           H  
ATOM    273 HD22 LEU A  17      -2.879   4.862  -3.573  1.00  1.29           H  
ATOM    274 HD23 LEU A  17      -3.570   4.318  -2.045  1.00  1.33           H  
ATOM    275  N   VAL A  18      -4.920  -0.768  -1.324  1.00  0.36           N  
ATOM    276  CA  VAL A  18      -5.952  -1.836  -1.376  1.00  0.32           C  
ATOM    277  C   VAL A  18      -6.847  -1.712  -0.143  1.00  0.29           C  
ATOM    278  O   VAL A  18      -8.014  -2.045  -0.170  1.00  0.24           O  
ATOM    279  CB  VAL A  18      -5.254  -3.198  -1.383  1.00  0.33           C  
ATOM    280  CG1 VAL A  18      -6.247  -4.298  -1.000  1.00  0.39           C  
ATOM    281  CG2 VAL A  18      -4.702  -3.477  -2.783  1.00  0.42           C  
ATOM    282  H   VAL A  18      -4.012  -0.984  -1.028  1.00  0.39           H  
ATOM    283  HA  VAL A  18      -6.546  -1.726  -2.271  1.00  0.33           H  
ATOM    284  HB  VAL A  18      -4.439  -3.181  -0.673  1.00  0.38           H  
ATOM    285 HG11 VAL A  18      -7.091  -4.271  -1.673  1.00  1.08           H  
ATOM    286 HG12 VAL A  18      -5.762  -5.260  -1.068  1.00  1.11           H  
ATOM    287 HG13 VAL A  18      -6.588  -4.138   0.012  1.00  1.12           H  
ATOM    288 HG21 VAL A  18      -4.017  -2.691  -3.064  1.00  1.15           H  
ATOM    289 HG22 VAL A  18      -4.183  -4.424  -2.783  1.00  1.11           H  
ATOM    290 HG23 VAL A  18      -5.518  -3.514  -3.490  1.00  1.07           H  
ATOM    291  N   PHE A  19      -6.303  -1.222   0.934  1.00  0.35           N  
ATOM    292  CA  PHE A  19      -7.106  -1.060   2.173  1.00  0.34           C  
ATOM    293  C   PHE A  19      -8.073   0.104   1.985  1.00  0.32           C  
ATOM    294  O   PHE A  19      -9.173   0.107   2.501  1.00  0.30           O  
ATOM    295  CB  PHE A  19      -6.171  -0.756   3.343  1.00  0.41           C  
ATOM    296  CG  PHE A  19      -6.488  -1.677   4.492  1.00  0.49           C  
ATOM    297  CD1 PHE A  19      -7.504  -1.344   5.393  1.00  1.36           C  
ATOM    298  CD2 PHE A  19      -5.765  -2.863   4.654  1.00  1.36           C  
ATOM    299  CE1 PHE A  19      -7.799  -2.200   6.461  1.00  1.52           C  
ATOM    300  CE2 PHE A  19      -6.059  -3.721   5.721  1.00  1.53           C  
ATOM    301  CZ  PHE A  19      -7.077  -3.389   6.625  1.00  1.10           C  
ATOM    302  H   PHE A  19      -5.363  -0.952   0.925  1.00  0.40           H  
ATOM    303  HA  PHE A  19      -7.659  -1.966   2.373  1.00  0.33           H  
ATOM    304  HB2 PHE A  19      -5.147  -0.905   3.033  1.00  0.49           H  
ATOM    305  HB3 PHE A  19      -6.307   0.269   3.656  1.00  0.61           H  
ATOM    306  HD1 PHE A  19      -8.060  -0.426   5.264  1.00  2.21           H  
ATOM    307  HD2 PHE A  19      -4.981  -3.117   3.954  1.00  2.20           H  
ATOM    308  HE1 PHE A  19      -8.584  -1.944   7.157  1.00  2.38           H  
ATOM    309  HE2 PHE A  19      -5.502  -4.637   5.847  1.00  2.40           H  
ATOM    310  HZ  PHE A  19      -7.304  -4.050   7.448  1.00  1.36           H  
ATOM    311  N   PHE A  20      -7.665   1.095   1.245  1.00  0.39           N  
ATOM    312  CA  PHE A  20      -8.549   2.265   1.014  1.00  0.41           C  
ATOM    313  C   PHE A  20      -9.646   1.878   0.024  1.00  0.31           C  
ATOM    314  O   PHE A  20     -10.787   2.240   0.184  1.00  0.30           O  
ATOM    315  CB  PHE A  20      -7.715   3.421   0.447  1.00  0.53           C  
ATOM    316  CG  PHE A  20      -8.621   4.484  -0.134  1.00  0.59           C  
ATOM    317  CD1 PHE A  20      -9.250   4.273  -1.368  1.00  1.29           C  
ATOM    318  CD2 PHE A  20      -8.825   5.684   0.558  1.00  1.43           C  
ATOM    319  CE1 PHE A  20     -10.084   5.260  -1.907  1.00  1.38           C  
ATOM    320  CE2 PHE A  20      -9.658   6.671   0.018  1.00  1.52           C  
ATOM    321  CZ  PHE A  20     -10.288   6.459  -1.214  1.00  0.92           C  
ATOM    322  H   PHE A  20      -6.773   1.069   0.841  1.00  0.46           H  
ATOM    323  HA  PHE A  20      -8.998   2.565   1.952  1.00  0.43           H  
ATOM    324  HB2 PHE A  20      -7.119   3.854   1.238  1.00  0.68           H  
ATOM    325  HB3 PHE A  20      -7.063   3.045  -0.327  1.00  0.56           H  
ATOM    326  HD1 PHE A  20      -9.093   3.348  -1.904  1.00  2.13           H  
ATOM    327  HD2 PHE A  20      -8.341   5.847   1.509  1.00  2.28           H  
ATOM    328  HE1 PHE A  20     -10.569   5.097  -2.858  1.00  2.23           H  
ATOM    329  HE2 PHE A  20      -9.815   7.596   0.553  1.00  2.38           H  
ATOM    330  HZ  PHE A  20     -10.930   7.221  -1.630  1.00  1.08           H  
ATOM    331  N   ALA A  21      -9.317   1.146  -1.001  1.00  0.30           N  
ATOM    332  CA  ALA A  21     -10.361   0.753  -1.983  1.00  0.27           C  
ATOM    333  C   ALA A  21     -11.292  -0.288  -1.353  1.00  0.20           C  
ATOM    334  O   ALA A  21     -12.435  -0.421  -1.734  1.00  0.23           O  
ATOM    335  CB  ALA A  21      -9.689   0.156  -3.218  1.00  0.35           C  
ATOM    336  H   ALA A  21      -8.388   0.857  -1.127  1.00  0.35           H  
ATOM    337  HA  ALA A  21     -10.935   1.626  -2.267  1.00  0.30           H  
ATOM    338  HB1 ALA A  21      -8.622   0.319  -3.160  1.00  1.11           H  
ATOM    339  HB2 ALA A  21      -9.889  -0.904  -3.259  1.00  1.06           H  
ATOM    340  HB3 ALA A  21     -10.078   0.632  -4.105  1.00  1.06           H  
ATOM    341  N   GLU A  22     -10.816  -1.025  -0.387  1.00  0.19           N  
ATOM    342  CA  GLU A  22     -11.680  -2.046   0.262  1.00  0.22           C  
ATOM    343  C   GLU A  22     -12.649  -1.339   1.200  1.00  0.23           C  
ATOM    344  O   GLU A  22     -13.823  -1.635   1.229  1.00  0.31           O  
ATOM    345  CB  GLU A  22     -10.816  -3.028   1.054  1.00  0.30           C  
ATOM    346  CG  GLU A  22     -10.098  -3.961   0.091  1.00  0.99           C  
ATOM    347  CD  GLU A  22     -10.467  -5.411   0.409  1.00  1.44           C  
ATOM    348  OE1 GLU A  22      -9.808  -5.998   1.252  1.00  2.02           O  
ATOM    349  OE2 GLU A  22     -11.402  -5.911  -0.195  1.00  1.89           O  
ATOM    350  H   GLU A  22      -9.900  -0.903  -0.087  1.00  0.24           H  
ATOM    351  HA  GLU A  22     -12.235  -2.576  -0.495  1.00  0.27           H  
ATOM    352  HB2 GLU A  22     -10.088  -2.483   1.631  1.00  0.89           H  
ATOM    353  HB3 GLU A  22     -11.440  -3.608   1.710  1.00  0.86           H  
ATOM    354  HG2 GLU A  22     -10.400  -3.723  -0.910  1.00  1.31           H  
ATOM    355  HG3 GLU A  22      -9.032  -3.831   0.188  1.00  1.41           H  
ATOM    356  N   ASP A  23     -12.171  -0.389   1.951  1.00  0.24           N  
ATOM    357  CA  ASP A  23     -13.075   0.359   2.862  1.00  0.32           C  
ATOM    358  C   ASP A  23     -13.788   1.418   2.034  1.00  0.32           C  
ATOM    359  O   ASP A  23     -14.985   1.376   1.831  1.00  0.37           O  
ATOM    360  CB  ASP A  23     -12.254   1.042   3.950  1.00  0.40           C  
ATOM    361  CG  ASP A  23     -12.579   0.420   5.309  1.00  0.50           C  
ATOM    362  OD1 ASP A  23     -13.674  -0.098   5.454  1.00  1.23           O  
ATOM    363  OD2 ASP A  23     -11.728   0.473   6.181  1.00  1.18           O  
ATOM    364  H   ASP A  23     -11.221  -0.153   1.899  1.00  0.26           H  
ATOM    365  HA  ASP A  23     -13.789  -0.311   3.307  1.00  0.37           H  
ATOM    366  HB2 ASP A  23     -11.211   0.912   3.732  1.00  0.39           H  
ATOM    367  HB3 ASP A  23     -12.486   2.096   3.971  1.00  0.43           H  
ATOM    368  N   VAL A  24     -13.040   2.363   1.544  1.00  0.32           N  
ATOM    369  CA  VAL A  24     -13.632   3.437   0.708  1.00  0.38           C  
ATOM    370  C   VAL A  24     -14.442   2.822  -0.426  1.00  0.39           C  
ATOM    371  O   VAL A  24     -15.552   3.230  -0.707  1.00  0.51           O  
ATOM    372  CB  VAL A  24     -12.510   4.290   0.118  1.00  0.42           C  
ATOM    373  CG1 VAL A  24     -13.099   5.520  -0.564  1.00  0.50           C  
ATOM    374  CG2 VAL A  24     -11.566   4.724   1.239  1.00  0.53           C  
ATOM    375  H   VAL A  24     -12.078   2.361   1.726  1.00  0.32           H  
ATOM    376  HA  VAL A  24     -14.266   4.045   1.313  1.00  0.45           H  
ATOM    377  HB  VAL A  24     -11.966   3.711  -0.611  1.00  0.43           H  
ATOM    378 HG11 VAL A  24     -14.157   5.372  -0.721  1.00  1.14           H  
ATOM    379 HG12 VAL A  24     -12.944   6.386   0.060  1.00  1.12           H  
ATOM    380 HG13 VAL A  24     -12.611   5.669  -1.516  1.00  1.16           H  
ATOM    381 HG21 VAL A  24     -11.974   4.417   2.191  1.00  1.15           H  
ATOM    382 HG22 VAL A  24     -10.601   4.262   1.096  1.00  1.16           H  
ATOM    383 HG23 VAL A  24     -11.459   5.798   1.224  1.00  1.17           H  
ATOM    384  N   GLY A  25     -13.894   1.842  -1.079  1.00  0.32           N  
ATOM    385  CA  GLY A  25     -14.625   1.194  -2.199  1.00  0.41           C  
ATOM    386  C   GLY A  25     -15.805   0.414  -1.633  1.00  0.47           C  
ATOM    387  O   GLY A  25     -16.905   0.478  -2.144  1.00  0.58           O  
ATOM    388  H   GLY A  25     -13.003   1.531  -0.830  1.00  0.26           H  
ATOM    389  HA2 GLY A  25     -14.983   1.952  -2.882  1.00  0.48           H  
ATOM    390  HA3 GLY A  25     -13.966   0.521  -2.719  1.00  0.40           H  
ATOM    391  N   SER A  26     -15.590  -0.320  -0.575  1.00  0.45           N  
ATOM    392  CA  SER A  26     -16.718  -1.095   0.020  1.00  0.56           C  
ATOM    393  C   SER A  26     -17.957  -0.200   0.093  1.00  0.59           C  
ATOM    394  O   SER A  26     -19.029  -0.568  -0.345  1.00  0.76           O  
ATOM    395  CB  SER A  26     -16.348  -1.555   1.430  1.00  0.69           C  
ATOM    396  OG  SER A  26     -17.536  -1.784   2.176  1.00  1.32           O  
ATOM    397  H   SER A  26     -14.689  -0.359  -0.174  1.00  0.39           H  
ATOM    398  HA  SER A  26     -16.929  -1.954  -0.597  1.00  0.69           H  
ATOM    399  HB2 SER A  26     -15.781  -2.470   1.376  1.00  1.26           H  
ATOM    400  HB3 SER A  26     -15.750  -0.792   1.911  1.00  1.22           H  
ATOM    401  HG  SER A  26     -18.040  -2.468   1.729  1.00  1.63           H  
ATOM    402  N   ASN A  27     -17.816   0.974   0.646  1.00  0.64           N  
ATOM    403  CA  ASN A  27     -18.981   1.898   0.751  1.00  0.81           C  
ATOM    404  C   ASN A  27     -18.800   3.059  -0.230  1.00  0.82           C  
ATOM    405  O   ASN A  27     -18.899   4.214   0.136  1.00  1.26           O  
ATOM    406  CB  ASN A  27     -19.064   2.449   2.176  1.00  1.01           C  
ATOM    407  CG  ASN A  27     -17.895   3.384   2.431  1.00  0.99           C  
ATOM    408  OD1 ASN A  27     -17.045   3.568   1.583  1.00  1.68           O  
ATOM    409  ND2 ASN A  27     -17.817   3.987   3.578  1.00  1.23           N  
ATOM    410  H   ASN A  27     -16.942   1.249   0.994  1.00  0.70           H  
ATOM    411  HA  ASN A  27     -19.889   1.364   0.517  1.00  0.96           H  
ATOM    412  HB2 ASN A  27     -19.986   2.995   2.302  1.00  1.48           H  
ATOM    413  HB3 ASN A  27     -19.025   1.636   2.884  1.00  1.60           H  
ATOM    414 HD21 ASN A  27     -18.504   3.836   4.260  1.00  1.55           H  
ATOM    415 HD22 ASN A  27     -17.077   4.587   3.758  1.00  1.58           H  
ATOM    416  N   LYS A  28     -18.534   2.764  -1.472  1.00  0.90           N  
ATOM    417  CA  LYS A  28     -18.345   3.852  -2.473  1.00  0.95           C  
ATOM    418  C   LYS A  28     -19.548   3.892  -3.417  1.00  1.24           C  
ATOM    419  O   LYS A  28     -19.636   3.025  -4.270  1.00  1.88           O  
ATOM    420  CB  LYS A  28     -17.071   3.587  -3.280  1.00  1.42           C  
ATOM    421  CG  LYS A  28     -15.982   4.576  -2.856  1.00  1.28           C  
ATOM    422  CD  LYS A  28     -15.677   5.527  -4.015  1.00  1.76           C  
ATOM    423  CE  LYS A  28     -14.172   5.532  -4.289  1.00  2.44           C  
ATOM    424  NZ  LYS A  28     -13.916   6.100  -5.643  1.00  3.06           N  
ATOM    425  OXT LYS A  28     -20.361   4.790  -3.271  1.00  1.77           O  
ATOM    426  H   LYS A  28     -18.456   1.827  -1.747  1.00  1.27           H  
ATOM    427  HA  LYS A  28     -18.256   4.799  -1.962  1.00  1.08           H  
ATOM    428  HB2 LYS A  28     -16.733   2.578  -3.097  1.00  1.80           H  
ATOM    429  HB3 LYS A  28     -17.279   3.713  -4.332  1.00  1.97           H  
ATOM    430  HG2 LYS A  28     -16.324   5.144  -2.003  1.00  1.35           H  
ATOM    431  HG3 LYS A  28     -15.085   4.034  -2.592  1.00  1.14           H  
ATOM    432  HD2 LYS A  28     -16.204   5.198  -4.898  1.00  2.08           H  
ATOM    433  HD3 LYS A  28     -15.997   6.525  -3.755  1.00  2.01           H  
ATOM    434  HE2 LYS A  28     -13.672   6.135  -3.546  1.00  2.81           H  
ATOM    435  HE3 LYS A  28     -13.795   4.521  -4.246  1.00  2.83           H  
ATOM    436  HZ1 LYS A  28     -14.754   6.630  -5.960  1.00  3.41           H  
ATOM    437  HZ2 LYS A  28     -13.097   6.739  -5.602  1.00  3.36           H  
ATOM    438  HZ3 LYS A  28     -13.719   5.329  -6.312  1.00  3.44           H  
TER     439      LYS A  28                                                      
MASTER       84    0    0    1    0    0    0    6  438    1    0    3          
END