HEADER    FIMBRIAL PROTEIN                        05-OCT-95   1KB7              
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: KB7 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: KB7                                                          
KEYWDS    FIMBRIAL PROTEIN                                                      
EXPDTA    SOLUTION NMR                                                          
AUTHOR    A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES                           
REVDAT   3   29-NOV-17 1KB7    1       REMARK HELIX                             
REVDAT   2   24-FEB-09 1KB7    1       VERSN                                    
REVDAT   1   29-JAN-96 1KB7    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 1KB7 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_1000174397.                                   
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: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    ASP A 144   C     ASP A 144   OXT     0.143                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ASP A 134   CB  -  CG  -  OD2 ANGL. DEV. =  -5.9 DEGREES          
REMARK 500    ARG A 138   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500    ASP A 144   CB  -  CG  -  OD2 ANGL. DEV. =  -6.0 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    THR A 131      -67.97   -135.53                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1KB8   RELATED DB: PDB                                   
DBREF  1KB7 A  128   144  UNP    Q53391   FMK7_PSEAE       7     23             
SEQRES   1 A   18  ACE SER CYS ALA THR THR VAL ASP ALA LYS PHE ARG PRO          
SEQRES   2 A   18  ASN GLY CYS THR ASP                                          
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   SER 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      -4.295  -7.072  -3.029  1.00  0.00           C  
HETATM    2  O   ACE A 127      -5.276  -6.326  -2.969  1.00  0.00           O  
HETATM    3  CH3 ACE A 127      -4.119  -8.026  -4.210  1.00  0.00           C  
HETATM    4  H1  ACE A 127      -4.085  -9.081  -3.878  1.00  0.00           H  
HETATM    5  H2  ACE A 127      -3.186  -7.815  -4.766  1.00  0.00           H  
HETATM    6  H3  ACE A 127      -4.955  -7.935  -4.927  1.00  0.00           H  
ATOM      7  N   SER A 128      -3.324  -7.113  -2.103  1.00  0.00           N  
ATOM      8  CA  SER A 128      -3.327  -6.251  -0.891  1.00  0.00           C  
ATOM      9  C   SER A 128      -2.528  -4.936  -1.123  1.00  0.00           C  
ATOM     10  O   SER A 128      -1.534  -4.901  -1.858  1.00  0.00           O  
ATOM     11  CB  SER A 128      -2.760  -7.054   0.306  1.00  0.00           C  
ATOM     12  OG  SER A 128      -1.408  -7.457   0.106  1.00  0.00           O  
ATOM     13  H   SER A 128      -2.548  -7.754  -2.302  1.00  0.00           H  
ATOM     14  HA  SER A 128      -4.373  -5.995  -0.625  1.00  0.00           H  
ATOM     15  HB2 SER A 128      -2.829  -6.454   1.231  1.00  0.00           H  
ATOM     16  HB3 SER A 128      -3.377  -7.956   0.478  1.00  0.00           H  
ATOM     17  HG  SER A 128      -1.409  -8.003  -0.683  1.00  0.00           H  
ATOM     18  N   CYS A 129      -2.967  -3.857  -0.448  1.00  0.00           N  
ATOM     19  CA  CYS A 129      -2.275  -2.538  -0.474  1.00  0.00           C  
ATOM     20  C   CYS A 129      -0.867  -2.573   0.197  1.00  0.00           C  
ATOM     21  O   CYS A 129       0.101  -2.159  -0.446  1.00  0.00           O  
ATOM     22  CB  CYS A 129      -3.194  -1.481   0.173  1.00  0.00           C  
ATOM     23  SG  CYS A 129      -2.427   0.147   0.074  1.00  0.00           S  
ATOM     24  H   CYS A 129      -3.785  -4.027   0.147  1.00  0.00           H  
ATOM     25  HA  CYS A 129      -2.147  -2.238  -1.531  1.00  0.00           H  
ATOM     26  HB2 CYS A 129      -4.174  -1.444  -0.341  1.00  0.00           H  
ATOM     27  HB3 CYS A 129      -3.394  -1.717   1.235  1.00  0.00           H  
ATOM     28  N   ALA A 130      -0.750  -3.078   1.445  1.00  0.00           N  
ATOM     29  CA  ALA A 130       0.552  -3.262   2.125  1.00  0.00           C  
ATOM     30  C   ALA A 130       1.142  -4.649   1.753  1.00  0.00           C  
ATOM     31  O   ALA A 130       0.632  -5.694   2.172  1.00  0.00           O  
ATOM     32  CB  ALA A 130       0.354  -3.117   3.644  1.00  0.00           C  
ATOM     33  H   ALA A 130      -1.631  -3.394   1.867  1.00  0.00           H  
ATOM     34  HA  ALA A 130       1.247  -2.457   1.818  1.00  0.00           H  
ATOM     35  HB1 ALA A 130       1.309  -3.243   4.186  1.00  0.00           H  
ATOM     36  HB2 ALA A 130      -0.355  -3.862   4.052  1.00  0.00           H  
ATOM     37  HB3 ALA A 130      -0.030  -2.114   3.910  1.00  0.00           H  
ATOM     38  N   THR A 131       2.208  -4.626   0.935  1.00  0.00           N  
ATOM     39  CA  THR A 131       2.892  -5.853   0.435  1.00  0.00           C  
ATOM     40  C   THR A 131       4.429  -5.615   0.567  1.00  0.00           C  
ATOM     41  O   THR A 131       5.067  -6.271   1.396  1.00  0.00           O  
ATOM     42  CB  THR A 131       2.402  -6.215  -1.006  1.00  0.00           C  
ATOM     43  OG1 THR A 131       0.981  -6.310  -1.042  1.00  0.00           O  
ATOM     44  CG2 THR A 131       2.941  -7.559  -1.522  1.00  0.00           C  
ATOM     45  H   THR A 131       2.503  -3.690   0.637  1.00  0.00           H  
ATOM     46  HA  THR A 131       2.645  -6.710   1.094  1.00  0.00           H  
ATOM     47  HB  THR A 131       2.709  -5.419  -1.709  1.00  0.00           H  
ATOM     48  HG1 THR A 131       0.648  -5.452  -0.767  1.00  0.00           H  
ATOM     49 HG21 THR A 131       4.044  -7.563  -1.586  1.00  0.00           H  
ATOM     50 HG22 THR A 131       2.557  -7.780  -2.535  1.00  0.00           H  
ATOM     51 HG23 THR A 131       2.640  -8.399  -0.868  1.00  0.00           H  
ATOM     52  N   THR A 132       5.014  -4.687  -0.223  1.00  0.00           N  
ATOM     53  CA  THR A 132       6.458  -4.328  -0.150  1.00  0.00           C  
ATOM     54  C   THR A 132       6.626  -3.194   0.910  1.00  0.00           C  
ATOM     55  O   THR A 132       5.873  -2.212   0.914  1.00  0.00           O  
ATOM     56  CB  THR A 132       6.966  -3.899  -1.561  1.00  0.00           C  
ATOM     57  OG1 THR A 132       6.670  -4.906  -2.526  1.00  0.00           O  
ATOM     58  CG2 THR A 132       8.485  -3.661  -1.632  1.00  0.00           C  
ATOM     59  H   THR A 132       4.362  -4.181  -0.833  1.00  0.00           H  
ATOM     60  HA  THR A 132       7.038  -5.225   0.154  1.00  0.00           H  
ATOM     61  HB  THR A 132       6.452  -2.968  -1.863  1.00  0.00           H  
ATOM     62  HG1 THR A 132       5.717  -5.020  -2.505  1.00  0.00           H  
ATOM     63 HG21 THR A 132       8.798  -3.359  -2.649  1.00  0.00           H  
ATOM     64 HG22 THR A 132       8.806  -2.857  -0.946  1.00  0.00           H  
ATOM     65 HG23 THR A 132       9.057  -4.569  -1.367  1.00  0.00           H  
ATOM     66  N   VAL A 133       7.638  -3.341   1.789  1.00  0.00           N  
ATOM     67  CA  VAL A 133       7.882  -2.400   2.920  1.00  0.00           C  
ATOM     68  C   VAL A 133       8.637  -1.115   2.438  1.00  0.00           C  
ATOM     69  O   VAL A 133       9.870  -1.054   2.414  1.00  0.00           O  
ATOM     70  CB  VAL A 133       8.549  -3.178   4.111  1.00  0.00           C  
ATOM     71  CG1 VAL A 133       9.945  -3.799   3.855  1.00  0.00           C  
ATOM     72  CG2 VAL A 133       8.579  -2.340   5.409  1.00  0.00           C  
ATOM     73  H   VAL A 133       8.195  -4.193   1.666  1.00  0.00           H  
ATOM     74  HA  VAL A 133       6.897  -2.078   3.309  1.00  0.00           H  
ATOM     75  HB  VAL A 133       7.881  -4.032   4.338  1.00  0.00           H  
ATOM     76 HG11 VAL A 133      10.732  -3.035   3.721  1.00  0.00           H  
ATOM     77 HG12 VAL A 133       9.952  -4.438   2.953  1.00  0.00           H  
ATOM     78 HG13 VAL A 133      10.263  -4.442   4.697  1.00  0.00           H  
ATOM     79 HG21 VAL A 133       9.246  -1.463   5.322  1.00  0.00           H  
ATOM     80 HG22 VAL A 133       7.574  -1.961   5.671  1.00  0.00           H  
ATOM     81 HG23 VAL A 133       8.930  -2.934   6.273  1.00  0.00           H  
ATOM     82  N   ASP A 134       7.848  -0.094   2.059  1.00  0.00           N  
ATOM     83  CA  ASP A 134       8.348   1.235   1.615  1.00  0.00           C  
ATOM     84  C   ASP A 134       7.198   2.265   1.813  1.00  0.00           C  
ATOM     85  O   ASP A 134       6.028   1.998   1.509  1.00  0.00           O  
ATOM     86  CB  ASP A 134       8.784   1.258   0.119  1.00  0.00           C  
ATOM     87  CG  ASP A 134      10.155   0.643  -0.184  1.00  0.00           C  
ATOM     88  OD1 ASP A 134      11.219   1.186   0.111  1.00  0.00           O  
ATOM     89  OD2 ASP A 134      10.055  -0.569  -0.817  1.00  0.00           O  
ATOM     90  H   ASP A 134       6.843  -0.293   2.120  1.00  0.00           H  
ATOM     91  HA  ASP A 134       9.212   1.524   2.249  1.00  0.00           H  
ATOM     92  HB2 ASP A 134       8.012   0.784  -0.514  1.00  0.00           H  
ATOM     93  HB3 ASP A 134       8.833   2.303  -0.244  1.00  0.00           H  
ATOM     94  HD2 ASP A 134      10.917  -0.949  -1.005  1.00  0.00           H  
ATOM     95  N   ALA A 135       7.562   3.480   2.268  1.00  0.00           N  
ATOM     96  CA  ALA A 135       6.606   4.621   2.398  1.00  0.00           C  
ATOM     97  C   ALA A 135       5.981   5.124   1.054  1.00  0.00           C  
ATOM     98  O   ALA A 135       4.789   5.445   1.032  1.00  0.00           O  
ATOM     99  CB  ALA A 135       7.331   5.774   3.118  1.00  0.00           C  
ATOM    100  H   ALA A 135       8.563   3.587   2.464  1.00  0.00           H  
ATOM    101  HA  ALA A 135       5.771   4.297   3.049  1.00  0.00           H  
ATOM    102  HB1 ALA A 135       8.192   6.159   2.537  1.00  0.00           H  
ATOM    103  HB2 ALA A 135       6.653   6.629   3.298  1.00  0.00           H  
ATOM    104  HB3 ALA A 135       7.715   5.465   4.108  1.00  0.00           H  
ATOM    105  N   LYS A 136       6.761   5.171  -0.048  1.00  0.00           N  
ATOM    106  CA  LYS A 136       6.246   5.493  -1.413  1.00  0.00           C  
ATOM    107  C   LYS A 136       5.390   4.379  -2.114  1.00  0.00           C  
ATOM    108  O   LYS A 136       4.720   4.691  -3.103  1.00  0.00           O  
ATOM    109  CB  LYS A 136       7.439   5.947  -2.312  1.00  0.00           C  
ATOM    110  CG  LYS A 136       8.725   5.085  -2.437  1.00  0.00           C  
ATOM    111  CD  LYS A 136       8.578   3.725  -3.149  1.00  0.00           C  
ATOM    112  CE  LYS A 136       9.925   3.007  -3.348  1.00  0.00           C  
ATOM    113  NZ  LYS A 136       9.742   1.683  -3.969  1.00  0.00           N  
ATOM    114  H   LYS A 136       7.691   4.759   0.080  1.00  0.00           H  
ATOM    115  HA  LYS A 136       5.573   6.367  -1.327  1.00  0.00           H  
ATOM    116  HB2 LYS A 136       7.064   6.170  -3.329  1.00  0.00           H  
ATOM    117  HB3 LYS A 136       7.764   6.938  -1.940  1.00  0.00           H  
ATOM    118  HG2 LYS A 136       9.474   5.689  -2.985  1.00  0.00           H  
ATOM    119  HG3 LYS A 136       9.165   4.931  -1.434  1.00  0.00           H  
ATOM    120  HD2 LYS A 136       7.914   3.074  -2.555  1.00  0.00           H  
ATOM    121  HD3 LYS A 136       8.078   3.869  -4.126  1.00  0.00           H  
ATOM    122  HE2 LYS A 136      10.598   3.615  -3.982  1.00  0.00           H  
ATOM    123  HE3 LYS A 136      10.442   2.879  -2.379  1.00  0.00           H  
ATOM    124  HZ1 LYS A 136      10.647   1.209  -4.061  1.00  0.00           H  
ATOM    125  HZ2 LYS A 136       9.176   1.084  -3.358  1.00  0.00           H  
ATOM    126  N   PHE A 137       5.385   3.120  -1.623  1.00  0.00           N  
ATOM    127  CA  PHE A 137       4.607   2.002  -2.223  1.00  0.00           C  
ATOM    128  C   PHE A 137       3.069   2.112  -1.975  1.00  0.00           C  
ATOM    129  O   PHE A 137       2.313   2.042  -2.947  1.00  0.00           O  
ATOM    130  CB  PHE A 137       5.216   0.667  -1.698  1.00  0.00           C  
ATOM    131  CG  PHE A 137       4.600  -0.619  -2.283  1.00  0.00           C  
ATOM    132  CD1 PHE A 137       4.995  -1.079  -3.544  1.00  0.00           C  
ATOM    133  CD2 PHE A 137       3.629  -1.330  -1.567  1.00  0.00           C  
ATOM    134  CE1 PHE A 137       4.426  -2.232  -4.081  1.00  0.00           C  
ATOM    135  CE2 PHE A 137       3.056  -2.476  -2.110  1.00  0.00           C  
ATOM    136  CZ  PHE A 137       3.457  -2.929  -3.364  1.00  0.00           C  
ATOM    137  H   PHE A 137       5.994   2.988  -0.806  1.00  0.00           H  
ATOM    138  HA  PHE A 137       4.766   2.020  -3.319  1.00  0.00           H  
ATOM    139  HB2 PHE A 137       6.302   0.646  -1.900  1.00  0.00           H  
ATOM    140  HB3 PHE A 137       5.128   0.639  -0.595  1.00  0.00           H  
ATOM    141  HD1 PHE A 137       5.743  -0.545  -4.113  1.00  0.00           H  
ATOM    142  HD2 PHE A 137       3.308  -0.995  -0.590  1.00  0.00           H  
ATOM    143  HE1 PHE A 137       4.736  -2.586  -5.053  1.00  0.00           H  
ATOM    144  HE2 PHE A 137       2.308  -3.021  -1.556  1.00  0.00           H  
ATOM    145  HZ  PHE A 137       3.017  -3.824  -3.779  1.00  0.00           H  
ATOM    146  N   ARG A 138       2.617   2.255  -0.711  1.00  0.00           N  
ATOM    147  CA  ARG A 138       1.173   2.224  -0.361  1.00  0.00           C  
ATOM    148  C   ARG A 138       0.470   3.585  -0.703  1.00  0.00           C  
ATOM    149  O   ARG A 138       0.885   4.605  -0.140  1.00  0.00           O  
ATOM    150  CB  ARG A 138       0.954   1.912   1.142  1.00  0.00           C  
ATOM    151  CG  ARG A 138       1.441   0.535   1.651  1.00  0.00           C  
ATOM    152  CD  ARG A 138       2.896   0.508   2.160  1.00  0.00           C  
ATOM    153  NE  ARG A 138       3.216  -0.828   2.714  1.00  0.00           N  
ATOM    154  CZ  ARG A 138       4.129  -1.076   3.668  1.00  0.00           C  
ATOM    155  NH1 ARG A 138       4.899  -0.143   4.224  1.00  0.00           N  
ATOM    156  NH2 ARG A 138       4.264  -2.323   4.079  1.00  0.00           N  
ATOM    157  H   ARG A 138       3.354   2.276   0.003  1.00  0.00           H  
ATOM    158  HA  ARG A 138       0.701   1.385  -0.902  1.00  0.00           H  
ATOM    159  HB2 ARG A 138       1.358   2.718   1.783  1.00  0.00           H  
ATOM    160  HB3 ARG A 138      -0.139   1.934   1.309  1.00  0.00           H  
ATOM    161  HG2 ARG A 138       0.771   0.227   2.477  1.00  0.00           H  
ATOM    162  HG3 ARG A 138       1.292  -0.225   0.862  1.00  0.00           H  
ATOM    163  HD2 ARG A 138       3.604   0.735   1.343  1.00  0.00           H  
ATOM    164  HD3 ARG A 138       3.033   1.300   2.921  1.00  0.00           H  
ATOM    165 HH11 ARG A 138       4.772   0.818   3.887  1.00  0.00           H  
ATOM    166 HH12 ARG A 138       5.557  -0.459   4.945  1.00  0.00           H  
ATOM    167 HH21 ARG A 138       3.657  -3.021   3.635  1.00  0.00           H  
ATOM    168 HH22 ARG A 138       4.964  -2.493   4.809  1.00  0.00           H  
ATOM    169  N   PRO A 139      -0.594   3.662  -1.562  1.00  0.00           N  
ATOM    170  CA  PRO A 139      -1.304   4.934  -1.866  1.00  0.00           C  
ATOM    171  C   PRO A 139      -2.182   5.471  -0.695  1.00  0.00           C  
ATOM    172  O   PRO A 139      -2.662   4.703   0.148  1.00  0.00           O  
ATOM    173  CB  PRO A 139      -2.155   4.581  -3.106  1.00  0.00           C  
ATOM    174  CG  PRO A 139      -1.574   3.281  -3.662  1.00  0.00           C  
ATOM    175  CD  PRO A 139      -1.042   2.556  -2.428  1.00  0.00           C  
ATOM    176  HA  PRO A 139      -0.555   5.697  -2.157  1.00  0.00           H  
ATOM    177  HB2 PRO A 139      -3.218   4.424  -2.845  1.00  0.00           H  
ATOM    178  HB3 PRO A 139      -2.135   5.390  -3.860  1.00  0.00           H  
ATOM    179  HG2 PRO A 139      -2.323   2.683  -4.214  1.00  0.00           H  
ATOM    180  HG3 PRO A 139      -0.748   3.500  -4.365  1.00  0.00           H  
ATOM    181  HD2 PRO A 139      -1.834   1.974  -1.922  1.00  0.00           H  
ATOM    182  HD3 PRO A 139      -0.238   1.853  -2.700  1.00  0.00           H  
ATOM    183  N   ASN A 140      -2.413   6.798  -0.682  1.00  0.00           N  
ATOM    184  CA  ASN A 140      -3.234   7.470   0.364  1.00  0.00           C  
ATOM    185  C   ASN A 140      -4.745   7.150   0.145  1.00  0.00           C  
ATOM    186  O   ASN A 140      -5.336   7.539  -0.868  1.00  0.00           O  
ATOM    187  CB  ASN A 140      -2.932   8.994   0.318  1.00  0.00           C  
ATOM    188  CG  ASN A 140      -3.510   9.803   1.498  1.00  0.00           C  
ATOM    189  OD1 ASN A 140      -3.017   9.731   2.623  1.00  0.00           O  
ATOM    190  ND2 ASN A 140      -4.555  10.584   1.269  1.00  0.00           N  
ATOM    191  H   ASN A 140      -1.961   7.325  -1.436  1.00  0.00           H  
ATOM    192  HA  ASN A 140      -2.900   7.098   1.354  1.00  0.00           H  
ATOM    193  HB2 ASN A 140      -1.836   9.155   0.335  1.00  0.00           H  
ATOM    194  HB3 ASN A 140      -3.256   9.423  -0.653  1.00  0.00           H  
ATOM    195 HD21 ASN A 140      -4.917  10.599   0.309  1.00  0.00           H  
ATOM    196 HD22 ASN A 140      -4.919  11.111   2.071  1.00  0.00           H  
ATOM    197  N   GLY A 141      -5.337   6.417   1.104  1.00  0.00           N  
ATOM    198  CA  GLY A 141      -6.742   5.941   1.003  1.00  0.00           C  
ATOM    199  C   GLY A 141      -6.984   4.641   0.189  1.00  0.00           C  
ATOM    200  O   GLY A 141      -8.067   4.495  -0.384  1.00  0.00           O  
ATOM    201  H   GLY A 141      -4.730   6.158   1.890  1.00  0.00           H  
ATOM    202  HA2 GLY A 141      -7.121   5.752   2.021  1.00  0.00           H  
ATOM    203  HA3 GLY A 141      -7.362   6.747   0.564  1.00  0.00           H  
ATOM    204  N   CYS A 142      -6.004   3.719   0.123  1.00  0.00           N  
ATOM    205  CA  CYS A 142      -6.103   2.471  -0.673  1.00  0.00           C  
ATOM    206  C   CYS A 142      -6.901   1.340   0.038  1.00  0.00           C  
ATOM    207  O   CYS A 142      -6.884   1.211   1.267  1.00  0.00           O  
ATOM    208  CB  CYS A 142      -4.668   2.000  -0.978  1.00  0.00           C  
ATOM    209  SG  CYS A 142      -3.786   1.536   0.528  1.00  0.00           S  
ATOM    210  H   CYS A 142      -5.172   3.950   0.676  1.00  0.00           H  
ATOM    211  HA  CYS A 142      -6.580   2.717  -1.645  1.00  0.00           H  
ATOM    212  HB2 CYS A 142      -4.698   1.123  -1.647  1.00  0.00           H  
ATOM    213  HB3 CYS A 142      -4.100   2.778  -1.518  1.00  0.00           H  
ATOM    214  N   THR A 143      -7.572   0.504  -0.777  1.00  0.00           N  
ATOM    215  CA  THR A 143      -8.359  -0.661  -0.286  1.00  0.00           C  
ATOM    216  C   THR A 143      -7.420  -1.907  -0.265  1.00  0.00           C  
ATOM    217  O   THR A 143      -6.861  -2.299  -1.297  1.00  0.00           O  
ATOM    218  CB  THR A 143      -9.611  -0.869  -1.194  1.00  0.00           C  
ATOM    219  OG1 THR A 143     -10.402   0.317  -1.211  1.00  0.00           O  
ATOM    220  CG2 THR A 143     -10.539  -2.008  -0.731  1.00  0.00           C  
ATOM    221  H   THR A 143      -7.482   0.712  -1.777  1.00  0.00           H  
ATOM    222  HA  THR A 143      -8.735  -0.448   0.737  1.00  0.00           H  
ATOM    223  HB  THR A 143      -9.282  -1.083  -2.230  1.00  0.00           H  
ATOM    224  HG1 THR A 143      -9.827   1.014  -1.537  1.00  0.00           H  
ATOM    225 HG21 THR A 143     -11.425  -2.095  -1.386  1.00  0.00           H  
ATOM    226 HG22 THR A 143     -10.029  -2.989  -0.750  1.00  0.00           H  
ATOM    227 HG23 THR A 143     -10.906  -1.846   0.299  1.00  0.00           H  
ATOM    228  N   ASP A 144      -7.280  -2.526   0.922  1.00  0.00           N  
ATOM    229  CA  ASP A 144      -6.422  -3.722   1.118  1.00  0.00           C  
ATOM    230  C   ASP A 144      -7.265  -4.990   0.836  1.00  0.00           C  
ATOM    231  O   ASP A 144      -8.079  -5.467   1.628  1.00  0.00           O  
ATOM    232  CB  ASP A 144      -5.826  -3.671   2.552  1.00  0.00           C  
ATOM    233  CG  ASP A 144      -4.747  -4.731   2.823  1.00  0.00           C  
ATOM    234  OD1 ASP A 144      -5.000  -5.914   3.051  1.00  0.00           O  
ATOM    235  OD2 ASP A 144      -3.481  -4.207   2.786  1.00  0.00           O  
ATOM    236  OXT ASP A 144      -7.004  -5.516  -0.404  1.00  0.00           O  
ATOM    237  H   ASP A 144      -7.804  -2.102   1.696  1.00  0.00           H  
ATOM    238  HA  ASP A 144      -5.576  -3.691   0.405  1.00  0.00           H  
ATOM    239  HB2 ASP A 144      -5.401  -2.666   2.747  1.00  0.00           H  
ATOM    240  HB3 ASP A 144      -6.632  -3.804   3.300  1.00  0.00           H  
ATOM    241  HD2 ASP A 144      -3.486  -3.266   2.595  1.00  0.00           H  
ATOM    242  HXT ASP A 144      -6.343  -5.007  -0.879  1.00  0.00           H  
TER     243      ASP 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   23  209                                                                
CONECT  209   23                                                                
MASTER      140    0    1    0    0    0    0    6  126    1    9    2          
END