HEADER    FIMBRIAL PROTEIN                        05-OCT-95   1PAN              
TITLE     A COMPARISON OF NMR SOLUTION STRUCTURES OF THE RECEPTOR BINDING       
TITLE    2 DOMAINS OF PSEUDOMONAS AERUGINOSA PILI STRAINS PAO, KB7, AND PAK:    
TITLE    3 IMPLICATIONS FOR RECEPTOR BINDING AND SYNTHETIC VACCINE DESIGN       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PAO PILIN, TRANS;                                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: FIMBRIAL PROTEIN;                                           
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;                         
SOURCE   3 ORGANISM_TAXID: 287;                                                 
SOURCE   4 STRAIN: O                                                            
KEYWDS    FIMBRIAL PROTEIN                                                      
EXPDTA    SOLUTION NMR                                                          
AUTHOR    A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES                           
REVDAT   3   29-NOV-17 1PAN    1       REMARK HELIX                             
REVDAT   2   24-FEB-09 1PAN    1       VERSN                                    
REVDAT   1   29-JAN-96 1PAN    0                                                
JRNL        AUTH   A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES                  
JRNL        TITL   COMPARISON OF NMR SOLUTION STRUCTURES OF THE RECEPTOR        
JRNL        TITL 2 BINDING DOMAINS OF PSEUDOMONAS AERUGINOSA PILI STRAINS PAO,  
JRNL        TITL 3 KB7, AND PAK: IMPLICATIONS FOR RECEPTOR BINDING AND          
JRNL        TITL 4 SYNTHETIC VACCINE DESIGN.                                    
JRNL        REF    BIOCHEMISTRY                  V.  34 16255 1995              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   8845350                                                      
JRNL        DOI    10.1021/BI00050A005                                          
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   C.MCINNES,C.M.KAY,R.S.HODGES,B.D.SYKES                       
REMARK   1  TITL   CONFORMATIONAL DIFFERENCES BETWEEN CIS AND TRANS PROLINE     
REMARK   1  TITL 2 ISOMERS OF A PEPTIDE ANTIGEN REPRESENTING THE RECEPTOR       
REMARK   1  TITL 3 BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA AS STUDIED BY 1H    
REMARK   1  TITL 4 NMR                                                          
REMARK   1  REF    BIOPOLYMERS                   V.  34  1221 1994              
REMARK   1  REFN                   ISSN 0006-3525                               
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   C.MCINNES,F.D.SOENNICHSEN,C.M.KAY,R.S.HODGES,B.D.SYKES       
REMARK   1  TITL   NMR SOLUTION STRUCTURE AND FLEXIBILITY OF A PEPTIDE ANTIGEN  
REMARK   1  TITL 2 REPRESENTING THE RECEPTOR BINDING DOMAIN OF PSEUDOMONAS      
REMARK   1  TITL 3 AERUGINOSA                                                   
REMARK   1  REF    BIOCHEMISTRY                  V.  32 13432 1993              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PEPFLEX II                                           
REMARK   3   AUTHORS     : NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1PAN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 100 THE DEPOSITION ID IS D_1000175570.                                   
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 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: 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    CYS A 142      -86.37   -110.69                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1PAO   RELATED DB: PDB                                   
DBREF  1PAN A  128   144  UNP    P04739   FMPO_PSEAE     133    149             
SEQRES   1 A   18  ACE ALA CYS LYS SER THR GLN ASP PRO MET PHE THR PRO          
SEQRES   2 A   18  LYS GLY CYS ASP ASN                                          
HET    ACE  A 127       6                                                       
HETNAM     ACE ACETYL GROUP                                                     
FORMUL   1  ACE    C2 H4 O                                                      
SSBOND   1 CYS A  129    CYS A  142                          1555   1555  2.00  
LINK         C   ACE A 127                 N   ALA A 128     1555   1555  1.34  
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                         
HETATM    1  C   ACE A 127     -10.330   0.899   2.799  1.00  0.00           C  
HETATM    2  O   ACE A 127      -9.876   0.711   1.667  1.00  0.00           O  
HETATM    3  CH3 ACE A 127     -10.993  -0.245   3.566  1.00  0.00           C  
HETATM    4  H1  ACE A 127     -12.045  -0.013   3.814  1.00  0.00           H  
HETATM    5  H2  ACE A 127     -10.996  -1.178   2.971  1.00  0.00           H  
HETATM    6  H3  ACE A 127     -10.461  -0.462   4.511  1.00  0.00           H  
ATOM      7  N   ALA A 128     -10.284   2.076   3.443  1.00  0.00           N  
ATOM      8  CA  ALA A 128      -9.674   3.296   2.854  1.00  0.00           C  
ATOM      9  C   ALA A 128      -8.210   3.440   3.352  1.00  0.00           C  
ATOM     10  O   ALA A 128      -7.956   3.920   4.462  1.00  0.00           O  
ATOM     11  CB  ALA A 128     -10.540   4.515   3.233  1.00  0.00           C  
ATOM     12  H   ALA A 128     -10.677   2.065   4.390  1.00  0.00           H  
ATOM     13  HA  ALA A 128      -9.692   3.243   1.746  1.00  0.00           H  
ATOM     14  HB1 ALA A 128     -10.613   4.660   4.328  1.00  0.00           H  
ATOM     15  HB2 ALA A 128     -10.126   5.449   2.809  1.00  0.00           H  
ATOM     16  HB3 ALA A 128     -11.571   4.421   2.845  1.00  0.00           H  
ATOM     17  N   CYS A 129      -7.260   2.987   2.513  1.00  0.00           N  
ATOM     18  CA  CYS A 129      -5.808   2.994   2.833  1.00  0.00           C  
ATOM     19  C   CYS A 129      -5.053   4.061   1.985  1.00  0.00           C  
ATOM     20  O   CYS A 129      -5.451   4.399   0.864  1.00  0.00           O  
ATOM     21  CB  CYS A 129      -5.271   1.565   2.595  1.00  0.00           C  
ATOM     22  SG  CYS A 129      -3.668   1.371   3.394  1.00  0.00           S  
ATOM     23  H   CYS A 129      -7.612   2.610   1.626  1.00  0.00           H  
ATOM     24  HA  CYS A 129      -5.661   3.213   3.910  1.00  0.00           H  
ATOM     25  HB2 CYS A 129      -5.945   0.802   3.031  1.00  0.00           H  
ATOM     26  HB3 CYS A 129      -5.192   1.334   1.516  1.00  0.00           H  
ATOM     27  N   LYS A 130      -3.931   4.572   2.531  1.00  0.00           N  
ATOM     28  CA  LYS A 130      -3.087   5.599   1.857  1.00  0.00           C  
ATOM     29  C   LYS A 130      -2.236   4.965   0.714  1.00  0.00           C  
ATOM     30  O   LYS A 130      -1.534   3.971   0.925  1.00  0.00           O  
ATOM     31  CB  LYS A 130      -2.195   6.276   2.939  1.00  0.00           C  
ATOM     32  CG  LYS A 130      -1.235   7.398   2.472  1.00  0.00           C  
ATOM     33  CD  LYS A 130      -1.921   8.656   1.892  1.00  0.00           C  
ATOM     34  CE  LYS A 130      -0.950   9.732   1.364  1.00  0.00           C  
ATOM     35  NZ  LYS A 130      -0.199  10.420   2.432  1.00  0.00           N  
ATOM     36  H   LYS A 130      -3.702   4.207   3.462  1.00  0.00           H  
ATOM     37  HA  LYS A 130      -3.759   6.377   1.442  1.00  0.00           H  
ATOM     38  HB2 LYS A 130      -2.839   6.691   3.739  1.00  0.00           H  
ATOM     39  HB3 LYS A 130      -1.582   5.505   3.445  1.00  0.00           H  
ATOM     40  HG2 LYS A 130      -0.608   7.695   3.334  1.00  0.00           H  
ATOM     41  HG3 LYS A 130      -0.524   6.987   1.732  1.00  0.00           H  
ATOM     42  HD2 LYS A 130      -2.570   8.354   1.049  1.00  0.00           H  
ATOM     43  HD3 LYS A 130      -2.606   9.096   2.641  1.00  0.00           H  
ATOM     44  HE2 LYS A 130      -0.241   9.289   0.640  1.00  0.00           H  
ATOM     45  HE3 LYS A 130      -1.521  10.489   0.796  1.00  0.00           H  
ATOM     46  HZ1 LYS A 130      -0.827  10.886   3.096  1.00  0.00           H  
ATOM     47  HZ2 LYS A 130       0.380   9.765   2.969  1.00  0.00           H  
ATOM     48  HZ3 LYS A 130       0.427  11.137   2.051  1.00  0.00           H  
ATOM     49  N   SER A 131      -2.303   5.574  -0.486  1.00  0.00           N  
ATOM     50  CA  SER A 131      -1.570   5.093  -1.688  1.00  0.00           C  
ATOM     51  C   SER A 131      -0.125   5.666  -1.719  1.00  0.00           C  
ATOM     52  O   SER A 131       0.110   6.798  -2.155  1.00  0.00           O  
ATOM     53  CB  SER A 131      -2.384   5.444  -2.960  1.00  0.00           C  
ATOM     54  OG  SER A 131      -2.578   6.847  -3.119  1.00  0.00           O  
ATOM     55  H   SER A 131      -2.913   6.397  -0.519  1.00  0.00           H  
ATOM     56  HA  SER A 131      -1.516   3.986  -1.665  1.00  0.00           H  
ATOM     57  HB2 SER A 131      -1.860   5.055  -3.852  1.00  0.00           H  
ATOM     58  HB3 SER A 131      -3.367   4.939  -2.938  1.00  0.00           H  
ATOM     59  HG  SER A 131      -3.079   6.955  -3.930  1.00  0.00           H  
ATOM     60  N   THR A 132       0.831   4.862  -1.221  1.00  0.00           N  
ATOM     61  CA  THR A 132       2.271   5.237  -1.164  1.00  0.00           C  
ATOM     62  C   THR A 132       3.059   3.910  -1.380  1.00  0.00           C  
ATOM     63  O   THR A 132       3.509   3.291  -0.413  1.00  0.00           O  
ATOM     64  CB  THR A 132       2.572   5.966   0.190  1.00  0.00           C  
ATOM     65  OG1 THR A 132       1.815   7.171   0.275  1.00  0.00           O  
ATOM     66  CG2 THR A 132       4.043   6.365   0.386  1.00  0.00           C  
ATOM     67  H   THR A 132       0.493   3.959  -0.872  1.00  0.00           H  
ATOM     68  HA  THR A 132       2.522   5.930  -1.992  1.00  0.00           H  
ATOM     69  HB  THR A 132       2.275   5.310   1.031  1.00  0.00           H  
ATOM     70  HG1 THR A 132       0.894   6.911   0.197  1.00  0.00           H  
ATOM     71 HG21 THR A 132       4.419   6.976  -0.455  1.00  0.00           H  
ATOM     72 HG22 THR A 132       4.177   6.951   1.313  1.00  0.00           H  
ATOM     73 HG23 THR A 132       4.694   5.477   0.476  1.00  0.00           H  
ATOM     74  N   GLN A 133       3.236   3.479  -2.649  1.00  0.00           N  
ATOM     75  CA  GLN A 133       3.850   2.158  -2.974  1.00  0.00           C  
ATOM     76  C   GLN A 133       5.403   2.265  -2.980  1.00  0.00           C  
ATOM     77  O   GLN A 133       6.014   2.785  -3.919  1.00  0.00           O  
ATOM     78  CB  GLN A 133       3.288   1.613  -4.317  1.00  0.00           C  
ATOM     79  CG  GLN A 133       1.816   1.140  -4.220  1.00  0.00           C  
ATOM     80  CD  GLN A 133       1.272   0.537  -5.524  1.00  0.00           C  
ATOM     81  OE1 GLN A 133       1.535  -0.620  -5.852  1.00  0.00           O  
ATOM     82  NE2 GLN A 133       0.493   1.292  -6.284  1.00  0.00           N  
ATOM     83  H   GLN A 133       2.821   4.078  -3.371  1.00  0.00           H  
ATOM     84  HA  GLN A 133       3.551   1.420  -2.205  1.00  0.00           H  
ATOM     85  HB2 GLN A 133       3.379   2.387  -5.104  1.00  0.00           H  
ATOM     86  HB3 GLN A 133       3.903   0.756  -4.658  1.00  0.00           H  
ATOM     87  HG2 GLN A 133       1.733   0.368  -3.433  1.00  0.00           H  
ATOM     88  HG3 GLN A 133       1.168   1.969  -3.871  1.00  0.00           H  
ATOM     89 HE21 GLN A 133       0.309   2.245  -5.949  1.00  0.00           H  
ATOM     90 HE22 GLN A 133       0.137   0.864  -7.146  1.00  0.00           H  
ATOM     91  N   ASP A 134       6.002   1.786  -1.875  1.00  0.00           N  
ATOM     92  CA  ASP A 134       7.471   1.838  -1.617  1.00  0.00           C  
ATOM     93  C   ASP A 134       8.015   0.441  -1.135  1.00  0.00           C  
ATOM     94  O   ASP A 134       7.213  -0.422  -0.755  1.00  0.00           O  
ATOM     95  CB  ASP A 134       7.739   2.939  -0.545  1.00  0.00           C  
ATOM     96  CG  ASP A 134       7.687   4.372  -1.097  1.00  0.00           C  
ATOM     97  OD1 ASP A 134       6.578   4.934  -1.227  1.00  0.00           O  
ATOM     98  OD2 ASP A 134       8.758   4.937  -1.413  1.00  0.00           O  
ATOM     99  H   ASP A 134       5.356   1.394  -1.182  1.00  0.00           H  
ATOM    100  HA  ASP A 134       8.004   2.098  -2.552  1.00  0.00           H  
ATOM    101  HB2 ASP A 134       7.045   2.829   0.312  1.00  0.00           H  
ATOM    102  HB3 ASP A 134       8.745   2.803  -0.106  1.00  0.00           H  
ATOM    103  N   PRO A 135       9.359   0.163  -1.085  1.00  0.00           N  
ATOM    104  CA  PRO A 135       9.919  -1.120  -0.561  1.00  0.00           C  
ATOM    105  C   PRO A 135       9.530  -1.565   0.885  1.00  0.00           C  
ATOM    106  O   PRO A 135       9.262  -2.753   1.087  1.00  0.00           O  
ATOM    107  CB  PRO A 135      11.440  -0.927  -0.719  1.00  0.00           C  
ATOM    108  CG  PRO A 135      11.598   0.074  -1.861  1.00  0.00           C  
ATOM    109  CD  PRO A 135      10.403   1.014  -1.694  1.00  0.00           C  
ATOM    110  HA  PRO A 135       9.579  -1.923  -1.242  1.00  0.00           H  
ATOM    111  HB2 PRO A 135      11.901  -0.510   0.198  1.00  0.00           H  
ATOM    112  HB3 PRO A 135      11.961  -1.880  -0.926  1.00  0.00           H  
ATOM    113  HG2 PRO A 135      12.565   0.608  -1.829  1.00  0.00           H  
ATOM    114  HG3 PRO A 135      11.544  -0.447  -2.837  1.00  0.00           H  
ATOM    115  HD2 PRO A 135      10.653   1.863  -1.032  1.00  0.00           H  
ATOM    116  HD3 PRO A 135      10.102   1.433  -2.672  1.00  0.00           H  
ATOM    117  N   MET A 136       9.461  -0.634   1.860  1.00  0.00           N  
ATOM    118  CA  MET A 136       8.951  -0.935   3.235  1.00  0.00           C  
ATOM    119  C   MET A 136       7.386  -1.065   3.340  1.00  0.00           C  
ATOM    120  O   MET A 136       6.898  -1.720   4.265  1.00  0.00           O  
ATOM    121  CB  MET A 136       9.507   0.173   4.175  1.00  0.00           C  
ATOM    122  CG  MET A 136       9.353  -0.084   5.687  1.00  0.00           C  
ATOM    123  SD  MET A 136      10.140  -1.638   6.178  1.00  0.00           S  
ATOM    124  CE  MET A 136      11.877  -1.160   6.304  1.00  0.00           C  
ATOM    125  H   MET A 136       9.697   0.320   1.565  1.00  0.00           H  
ATOM    126  HA  MET A 136       9.373  -1.904   3.553  1.00  0.00           H  
ATOM    127  HB2 MET A 136      10.587   0.322   3.984  1.00  0.00           H  
ATOM    128  HB3 MET A 136       9.039   1.146   3.930  1.00  0.00           H  
ATOM    129  HG2 MET A 136       9.786   0.752   6.267  1.00  0.00           H  
ATOM    130  HG3 MET A 136       8.284  -0.122   5.967  1.00  0.00           H  
ATOM    131  HE1 MET A 136      12.008  -0.333   7.025  1.00  0.00           H  
ATOM    132  HE2 MET A 136      12.488  -2.014   6.649  1.00  0.00           H  
ATOM    133  HE3 MET A 136      12.271  -0.834   5.325  1.00  0.00           H  
ATOM    134  N   PHE A 137       6.621  -0.485   2.394  1.00  0.00           N  
ATOM    135  CA  PHE A 137       5.145  -0.641   2.293  1.00  0.00           C  
ATOM    136  C   PHE A 137       4.790  -2.002   1.616  1.00  0.00           C  
ATOM    137  O   PHE A 137       5.534  -2.511   0.770  1.00  0.00           O  
ATOM    138  CB  PHE A 137       4.644   0.584   1.474  1.00  0.00           C  
ATOM    139  CG  PHE A 137       3.133   0.729   1.207  1.00  0.00           C  
ATOM    140  CD1 PHE A 137       2.577   0.187   0.041  1.00  0.00           C  
ATOM    141  CD2 PHE A 137       2.346   1.553   2.020  1.00  0.00           C  
ATOM    142  CE1 PHE A 137       1.271   0.499  -0.327  1.00  0.00           C  
ATOM    143  CE2 PHE A 137       1.040   1.864   1.648  1.00  0.00           C  
ATOM    144  CZ  PHE A 137       0.512   1.350   0.466  1.00  0.00           C  
ATOM    145  H   PHE A 137       7.179  -0.113   1.616  1.00  0.00           H  
ATOM    146  HA  PHE A 137       4.700  -0.591   3.308  1.00  0.00           H  
ATOM    147  HB2 PHE A 137       4.998   1.514   1.965  1.00  0.00           H  
ATOM    148  HB3 PHE A 137       5.164   0.606   0.498  1.00  0.00           H  
ATOM    149  HD1 PHE A 137       3.171  -0.436  -0.613  1.00  0.00           H  
ATOM    150  HD2 PHE A 137       2.760   2.000   2.913  1.00  0.00           H  
ATOM    151  HE1 PHE A 137       0.857   0.111  -1.245  1.00  0.00           H  
ATOM    152  HE2 PHE A 137       0.447   2.527   2.261  1.00  0.00           H  
ATOM    153  HZ  PHE A 137      -0.483   1.624   0.152  1.00  0.00           H  
ATOM    154  N   THR A 138       3.627  -2.561   1.998  1.00  0.00           N  
ATOM    155  CA  THR A 138       3.092  -3.819   1.405  1.00  0.00           C  
ATOM    156  C   THR A 138       1.880  -3.444   0.484  1.00  0.00           C  
ATOM    157  O   THR A 138       0.808  -3.150   1.028  1.00  0.00           O  
ATOM    158  CB  THR A 138       2.693  -4.861   2.498  1.00  0.00           C  
ATOM    159  OG1 THR A 138       1.812  -4.293   3.466  1.00  0.00           O  
ATOM    160  CG2 THR A 138       3.899  -5.458   3.244  1.00  0.00           C  
ATOM    161  H   THR A 138       3.106  -2.033   2.706  1.00  0.00           H  
ATOM    162  HA  THR A 138       3.864  -4.322   0.791  1.00  0.00           H  
ATOM    163  HB  THR A 138       2.166  -5.696   1.999  1.00  0.00           H  
ATOM    164  HG1 THR A 138       2.304  -3.584   3.887  1.00  0.00           H  
ATOM    165 HG21 THR A 138       4.604  -5.950   2.548  1.00  0.00           H  
ATOM    166 HG22 THR A 138       4.465  -4.688   3.800  1.00  0.00           H  
ATOM    167 HG23 THR A 138       3.578  -6.223   3.975  1.00  0.00           H  
ATOM    168  N   PRO A 139       1.968  -3.451  -0.884  1.00  0.00           N  
ATOM    169  CA  PRO A 139       0.813  -3.159  -1.781  1.00  0.00           C  
ATOM    170  C   PRO A 139      -0.447  -4.066  -1.657  1.00  0.00           C  
ATOM    171  O   PRO A 139      -1.567  -3.550  -1.673  1.00  0.00           O  
ATOM    172  CB  PRO A 139       1.441  -3.203  -3.190  1.00  0.00           C  
ATOM    173  CG  PRO A 139       2.922  -2.905  -2.979  1.00  0.00           C  
ATOM    174  CD  PRO A 139       3.237  -3.554  -1.633  1.00  0.00           C  
ATOM    175  HA  PRO A 139       0.482  -2.131  -1.572  1.00  0.00           H  
ATOM    176  HB2 PRO A 139       1.328  -4.200  -3.660  1.00  0.00           H  
ATOM    177  HB3 PRO A 139       0.978  -2.472  -3.875  1.00  0.00           H  
ATOM    178  HG2 PRO A 139       3.556  -3.293  -3.797  1.00  0.00           H  
ATOM    179  HG3 PRO A 139       3.087  -1.811  -2.927  1.00  0.00           H  
ATOM    180  HD2 PRO A 139       3.526  -4.616  -1.749  1.00  0.00           H  
ATOM    181  HD3 PRO A 139       4.073  -3.025  -1.148  1.00  0.00           H  
ATOM    182  N   LYS A 140      -0.264  -5.393  -1.510  1.00  0.00           N  
ATOM    183  CA  LYS A 140      -1.378  -6.361  -1.324  1.00  0.00           C  
ATOM    184  C   LYS A 140      -1.984  -6.195   0.105  1.00  0.00           C  
ATOM    185  O   LYS A 140      -1.309  -6.432   1.113  1.00  0.00           O  
ATOM    186  CB  LYS A 140      -0.839  -7.792  -1.593  1.00  0.00           C  
ATOM    187  CG  LYS A 140      -1.934  -8.881  -1.685  1.00  0.00           C  
ATOM    188  CD  LYS A 140      -1.416 -10.300  -1.995  1.00  0.00           C  
ATOM    189  CE  LYS A 140      -0.905 -10.492  -3.437  1.00  0.00           C  
ATOM    190  NZ  LYS A 140      -0.485 -11.884  -3.679  1.00  0.00           N  
ATOM    191  H   LYS A 140       0.725  -5.655  -1.453  1.00  0.00           H  
ATOM    192  HA  LYS A 140      -2.146  -6.150  -2.097  1.00  0.00           H  
ATOM    193  HB2 LYS A 140      -0.278  -7.791  -2.547  1.00  0.00           H  
ATOM    194  HB3 LYS A 140      -0.098  -8.075  -0.820  1.00  0.00           H  
ATOM    195  HG2 LYS A 140      -2.481  -8.918  -0.724  1.00  0.00           H  
ATOM    196  HG3 LYS A 140      -2.693  -8.591  -2.437  1.00  0.00           H  
ATOM    197  HD2 LYS A 140      -0.627 -10.573  -1.267  1.00  0.00           H  
ATOM    198  HD3 LYS A 140      -2.242 -11.012  -1.808  1.00  0.00           H  
ATOM    199  HE2 LYS A 140      -1.692 -10.222  -4.165  1.00  0.00           H  
ATOM    200  HE3 LYS A 140      -0.050  -9.822  -3.643  1.00  0.00           H  
ATOM    201  HZ1 LYS A 140      -1.259 -12.542  -3.537  1.00  0.00           H  
ATOM    202  HZ2 LYS A 140      -0.146 -12.015  -4.638  1.00  0.00           H  
ATOM    203  HZ3 LYS A 140       0.273 -12.165  -3.048  1.00  0.00           H  
ATOM    204  N   GLY A 141      -3.252  -5.755   0.148  1.00  0.00           N  
ATOM    205  CA  GLY A 141      -3.949  -5.395   1.411  1.00  0.00           C  
ATOM    206  C   GLY A 141      -4.133  -3.875   1.677  1.00  0.00           C  
ATOM    207  O   GLY A 141      -5.075  -3.526   2.393  1.00  0.00           O  
ATOM    208  H   GLY A 141      -3.665  -5.552  -0.769  1.00  0.00           H  
ATOM    209  HA2 GLY A 141      -4.946  -5.873   1.406  1.00  0.00           H  
ATOM    210  HA3 GLY A 141      -3.423  -5.816   2.288  1.00  0.00           H  
ATOM    211  N   CYS A 142      -3.277  -2.986   1.124  1.00  0.00           N  
ATOM    212  CA  CYS A 142      -3.422  -1.514   1.254  1.00  0.00           C  
ATOM    213  C   CYS A 142      -3.807  -0.952  -0.144  1.00  0.00           C  
ATOM    214  O   CYS A 142      -5.005  -0.799  -0.400  1.00  0.00           O  
ATOM    215  CB  CYS A 142      -2.148  -0.922   1.904  1.00  0.00           C  
ATOM    216  SG  CYS A 142      -2.293   0.872   2.038  1.00  0.00           S  
ATOM    217  H   CYS A 142      -2.556  -3.408   0.527  1.00  0.00           H  
ATOM    218  HA  CYS A 142      -4.250  -1.260   1.944  1.00  0.00           H  
ATOM    219  HB2 CYS A 142      -1.983  -1.349   2.911  1.00  0.00           H  
ATOM    220  HB3 CYS A 142      -1.249  -1.155   1.303  1.00  0.00           H  
ATOM    221  N   ASP A 143      -2.836  -0.644  -1.033  1.00  0.00           N  
ATOM    222  CA  ASP A 143      -3.116  -0.135  -2.405  1.00  0.00           C  
ATOM    223  C   ASP A 143      -2.217  -0.928  -3.387  1.00  0.00           C  
ATOM    224  O   ASP A 143      -1.001  -0.712  -3.440  1.00  0.00           O  
ATOM    225  CB  ASP A 143      -2.864   1.394  -2.508  1.00  0.00           C  
ATOM    226  CG  ASP A 143      -3.904   2.239  -1.758  1.00  0.00           C  
ATOM    227  OD1 ASP A 143      -3.747   2.428  -0.533  1.00  0.00           O  
ATOM    228  OD2 ASP A 143      -4.881   2.706  -2.383  1.00  0.00           O  
ATOM    229  H   ASP A 143      -1.879  -0.809  -0.702  1.00  0.00           H  
ATOM    230  HA  ASP A 143      -4.179  -0.310  -2.676  1.00  0.00           H  
ATOM    231  HB2 ASP A 143      -1.846   1.643  -2.151  1.00  0.00           H  
ATOM    232  HB3 ASP A 143      -2.888   1.699  -3.572  1.00  0.00           H  
ATOM    233  N   ASN A 144      -2.832  -1.848  -4.154  1.00  0.00           N  
ATOM    234  CA  ASN A 144      -2.110  -2.726  -5.110  1.00  0.00           C  
ATOM    235  C   ASN A 144      -2.205  -2.113  -6.526  1.00  0.00           C  
ATOM    236  O   ASN A 144      -1.164  -1.651  -7.044  1.00  0.00           O  
ATOM    237  CB  ASN A 144      -2.695  -4.163  -5.009  1.00  0.00           C  
ATOM    238  CG  ASN A 144      -1.899  -5.242  -5.771  1.00  0.00           C  
ATOM    239  OD1 ASN A 144      -2.157  -5.515  -6.943  1.00  0.00           O  
ATOM    240  ND2 ASN A 144      -0.925  -5.873  -5.131  1.00  0.00           N  
ATOM    241  OXT ASN A 144      -3.305  -2.092  -7.126  1.00  0.00           O  
ATOM    242  H   ASN A 144      -3.845  -1.925  -4.008  1.00  0.00           H  
ATOM    243  HA  ASN A 144      -1.041  -2.790  -4.833  1.00  0.00           H  
ATOM    244  HB2 ASN A 144      -2.776  -4.467  -3.945  1.00  0.00           H  
ATOM    245  HB3 ASN A 144      -3.742  -4.175  -5.371  1.00  0.00           H  
ATOM    246 HD21 ASN A 144      -0.762  -5.598  -4.156  1.00  0.00           H  
ATOM    247 HD22 ASN A 144      -0.413  -6.585  -5.663  1.00  0.00           H  
TER     248      ASN A 144                                                      
CONECT    1    2    3    7                                                      
CONECT    2    1                                                                
CONECT    3    1    4    5    6                                                 
CONECT    4    3                                                                
CONECT    5    3                                                                
CONECT    6    3                                                                
CONECT    7    1                                                                
CONECT   22  216                                                                
CONECT  216   22                                                                
MASTER      100    0    1    0    0    0    0    6  129    1    9    2          
END