HEADER    GLYCOLYSIS                              20-FEB-92   1BBL              
TITLE     THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE E3-BINDING DOMAIN OF THE  
TITLE    2 DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE CORE FROM THE 2-OXOGLUTARATE    
TITLE    3 DEHYDROGENASE MULTIENZYME COMPLEX OF ESCHERICHIA COLI                
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE;                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 EC: 2.3.1.61;                                                        
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
SOURCE   3 ORGANISM_TAXID: 562                                                  
KEYWDS    GLYCOLYSIS                                                            
EXPDTA    SOLUTION NMR                                                          
AUTHOR    G.M.CLORE,M.A.ROBIEN,A.M.GRONENBORN                                   
REVDAT   3   16-FEB-22 1BBL    1       REMARK                                   
REVDAT   2   24-FEB-09 1BBL    1       VERSN                                    
REVDAT   1   31-JAN-94 1BBL    0                                                
JRNL        AUTH   M.A.ROBIEN,G.M.CLORE,J.G.OMICHINSKI,R.N.PERHAM,E.APPELLA,    
JRNL        AUTH 2 K.SAKAGUCHI,A.M.GRONENBORN                                   
JRNL        TITL   THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE E3-BINDING       
JRNL        TITL 2 DOMAIN OF THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE CORE FROM 
JRNL        TITL 3 THE 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME COMPLEX OF      
JRNL        TITL 4 ESCHERICHIA COLI.                                            
JRNL        REF    BIOCHEMISTRY                  V.  31  3463 1992              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   1554728                                                      
JRNL        DOI    10.1021/BI00128A021                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : NULL                                                 
REMARK   3   AUTHORS     : NULL                                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  DETAILS OF THE STRUCTURE DETERMINATION AND ALL STRUCTURAL           
REMARK   3   STATISTICS ARE GIVEN IN THE PAPER CITED ON *JRNL* RECORDS          
REMARK   3   ABOVE.  THE STRUCTURES ARE BASED ON 630 INTERPROTON                
REMARK   3   DISTANCE RESTRAINTS DERIVED FROM NOE MEASUREMENTS; AND 46          
REMARK   3   PHI AND 35 PSI BACKBONE TORSION ANGLE RESTRAINTS AND 20            
REMARK   3   CHI1 SIDE CHAIN TORSION ANGLE RESTRAINTS DERIVED FROM              
REMARK   3   COUPLING CONSTANTS AND NOE DATA.  THE LATTER ARE OBTAINED          
REMARK   3   USING THE CONFORMATIONAL GRID SEARCH PROGRAM STEREOSEARCH          
REMARK   3   (M.NILGES,G.M.CLORE,A.M.GRONENBORN (1990) BIOPOLYMERS              
REMARK   3   29, 813-822).  THE METHOD USED TO DETERMINE THE STRUCTURES         
REMARK   3   IS THE HYBRID METRIC MATRIX DISTANCE GEOMETRY-DYNAMICAL            
REMARK   3   SIMULATED ANNEALING METHOD  (M.NILGES,G.M.CLORE,                   
REMARK   3   A.M.GRONENBORN, FEBS LETT. 229, 317-324 (1988)).                   
REMARK   3                                                                      
REMARK   3  THIS ENTRY CONTAINS THE SIMULATED ANNEALING RESONANCE               
REMARK   3  MINIMIZED AVERAGE STRUCTURE.  THE COORDINATES OF 56                 
REMARK   3  INDIVIDUAL STRUCTURES ARE PRESENTED IN PROTEIN DATA BANK            
REMARK   3  ENTRY 1BAL.  (SA)R RESTRAINED MINIMIZED MEAN STRUCTURE WAS          
REMARK   3  DERIVED BY AVERAGING THE COORDINATES OF THE INDIVIDUAL SA           
REMARK   3  STRUCTURES BEST FITTED TO RESIDUES 14 - 30 AND 39 - 47,             
REMARK   3  AND SUBJECTING THE RESULTING COORDINATES TO RESTRAINED              
REMARK   3  MINIMIZATION.  RESIDUES 1 - 11 AND 48 - 51 ARE COMPLETELY           
REMARK   3  DISORDERED AND ARE NOT INCLUDED IN THE COORDINATE SET.              
REMARK   3                                                                      
REMARK   3  THE QUANTITY PRESENTED IN COLUMNS 61 - 66 OF THIS ENTRY HAS         
REMARK   3  NO MEANING.  THE QUANTITY PRESENTED IN COLUMNS 61 - 66 OF           
REMARK   3  ENTRY 1BAL REPRESENTS THE ATOMIC RMS DEVIATIONS OF THE 56           
REMARK   3  INDIVIDUAL STRUCTURES ABOUT THE MEAN STRUCTURE.                     
REMARK   3                                                                      
REMARK   3  ALL THE INTERPROTON DISTANCE AND TORSION ANGLE RESTRAINTS           
REMARK   3  ARE PRESENTED IN PROTEIN DATA BANK ENTRY R1BBLMR.                   
REMARK   4                                                                      
REMARK   4 1BBL 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_1000171563.                                   
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465     RES C SSSEQI                                                     
REMARK 465     TYR A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     LEU A     4                                                      
REMARK 465     GLU A     5                                                      
REMARK 465     GLU A     6                                                      
REMARK 465     GLN A     7                                                      
REMARK 465     ASN A     8                                                      
REMARK 465     ASN A     9                                                      
REMARK 465     ASP A    10                                                      
REMARK 465     ALA A    11                                                      
REMARK 465     ALA A    49                                                      
REMARK 465     LYS A    50                                                      
REMARK 465     ALA A    51                                                      
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    HIS A  23   CG    HIS A  23   ND1    -0.115                       
REMARK 500    HIS A  47   CG    HIS A  47   ND1    -0.115                       
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    ASN A  24       89.58     50.81                                   
REMARK 500    THR A  33       32.43    -78.38                                   
REMARK 500    VAL A  35       78.18    -68.03                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  17         0.16    SIDE CHAIN                              
REMARK 500    ARG A  18         0.29    SIDE CHAIN                              
REMARK 500    ARG A  38         0.23    SIDE CHAIN                              
REMARK 500    ARG A  41         0.17    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1BAL   RELATED DB: PDB                                   
DBREF  1BBL A    2    51  UNP    P07016   ODO2_ECOLI     103    152             
SEQRES   1 A   51  TYR ALA SER LEU GLU GLU GLN ASN ASN ASP ALA LEU SER          
SEQRES   2 A   51  PRO ALA ILE ARG ARG LEU LEU ALA GLU HIS ASN LEU ASP          
SEQRES   3 A   51  ALA SER ALA ILE LYS GLY THR GLY VAL GLY GLY ARG LEU          
SEQRES   4 A   51  THR ARG GLU ASP VAL GLU LYS HIS LEU ALA LYS ALA              
HELIX    1   1 ALA A   15  HIS A   23  1                                   9    
HELIX    2   2 ASP A   26  ILE A   30  5                                   5    
HELIX    3   3 THR A   40  LEU A   48  1                                   9    
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   LEU A  12       3.288   4.394  -0.201  1.00  2.97           N  
ATOM      2  CA  LEU A  12       2.803   3.347  -1.147  1.00  2.48           C  
ATOM      3  C   LEU A  12       3.977   2.499  -1.641  1.00  2.15           C  
ATOM      4  O   LEU A  12       5.112   2.731  -1.270  1.00  2.35           O  
ATOM      5  CB  LEU A  12       2.128   4.025  -2.342  1.00  2.51           C  
ATOM      6  CG  LEU A  12       1.376   5.270  -1.861  1.00  3.03           C  
ATOM      7  CD1 LEU A  12       0.546   5.834  -3.016  1.00  3.48           C  
ATOM      8  CD2 LEU A  12       0.440   4.887  -0.712  1.00  3.17           C  
ATOM      9  H   LEU A  12       3.437   5.311  -0.512  1.00  3.25           H  
ATOM     10  HA  LEU A  12       2.091   2.715  -0.647  1.00  2.58           H  
ATOM     11  HB2 LEU A  12       2.878   4.313  -3.064  1.00  2.68           H  
ATOM     12  HB3 LEU A  12       1.437   3.340  -2.806  1.00  2.29           H  
ATOM     13  HG  LEU A  12       2.081   6.014  -1.522  1.00  3.32           H  
ATOM     14 HD11 LEU A  12       1.097   5.742  -3.939  1.00  3.84           H  
ATOM     15 HD12 LEU A  12      -0.382   5.288  -3.098  1.00  3.77           H  
ATOM     16 HD13 LEU A  12       0.329   6.876  -2.834  1.00  3.65           H  
ATOM     17 HD21 LEU A  12       0.076   3.881  -0.857  1.00  3.38           H  
ATOM     18 HD22 LEU A  12       0.972   4.942   0.226  1.00  3.46           H  
ATOM     19 HD23 LEU A  12      -0.399   5.566  -0.684  1.00  3.31           H  
ATOM     20  N   SER A  13       3.681   1.531  -2.467  1.00  1.83           N  
ATOM     21  CA  SER A  13       4.771   0.662  -2.997  1.00  1.74           C  
ATOM     22  C   SER A  13       4.464   0.267  -4.460  1.00  1.37           C  
ATOM     23  O   SER A  13       3.343   0.390  -4.910  1.00  1.18           O  
ATOM     24  CB  SER A  13       4.866  -0.597  -2.135  1.00  2.04           C  
ATOM     25  OG  SER A  13       6.166  -0.531  -1.565  1.00  2.34           O  
ATOM     26  H   SER A  13       2.751   1.377  -2.736  1.00  1.82           H  
ATOM     27  HA  SER A  13       5.694   1.200  -2.947  1.00  1.97           H  
ATOM     28  HB2 SER A  13       4.116  -0.586  -1.357  1.00  2.47           H  
ATOM     29  HB3 SER A  13       4.768  -1.485  -2.740  1.00  2.32           H  
ATOM     30  HG  SER A  13       6.398  -1.410  -1.254  1.00  2.58           H  
ATOM     31  N   PRO A  14       5.476  -0.202  -5.175  1.00  1.46           N  
ATOM     32  CA  PRO A  14       5.303  -0.613  -6.578  1.00  1.34           C  
ATOM     33  C   PRO A  14       4.303  -1.772  -6.695  1.00  1.08           C  
ATOM     34  O   PRO A  14       3.817  -2.066  -7.768  1.00  1.14           O  
ATOM     35  CB  PRO A  14       6.690  -1.075  -7.036  1.00  1.69           C  
ATOM     36  CG  PRO A  14       7.633  -1.018  -5.796  1.00  1.96           C  
ATOM     37  CD  PRO A  14       6.847  -0.356  -4.653  1.00  1.85           C  
ATOM     38  HA  PRO A  14       4.984   0.220  -7.175  1.00  1.40           H  
ATOM     39  HB2 PRO A  14       6.637  -2.086  -7.413  1.00  1.69           H  
ATOM     40  HB3 PRO A  14       7.061  -0.420  -7.811  1.00  1.85           H  
ATOM     41  HG2 PRO A  14       7.928  -2.018  -5.511  1.00  2.10           H  
ATOM     42  HG3 PRO A  14       8.512  -0.434  -6.028  1.00  2.21           H  
ATOM     43  HD2 PRO A  14       6.848  -0.983  -3.775  1.00  1.97           H  
ATOM     44  HD3 PRO A  14       7.275   0.609  -4.427  1.00  2.05           H  
ATOM     45  N   ALA A  15       4.017  -2.403  -5.588  1.00  1.09           N  
ATOM     46  CA  ALA A  15       3.065  -3.555  -5.626  1.00  1.01           C  
ATOM     47  C   ALA A  15       1.651  -3.116  -5.228  1.00  0.73           C  
ATOM     48  O   ALA A  15       0.727  -3.902  -5.271  1.00  0.79           O  
ATOM     49  CB  ALA A  15       3.550  -4.630  -4.653  1.00  1.36           C  
ATOM     50  H   ALA A  15       4.422  -2.123  -4.740  1.00  1.35           H  
ATOM     51  HA  ALA A  15       3.044  -3.967  -6.619  1.00  1.06           H  
ATOM     52  HB1 ALA A  15       4.620  -4.748  -4.744  1.00  1.67           H  
ATOM     53  HB2 ALA A  15       3.309  -4.343  -3.641  1.00  1.70           H  
ATOM     54  HB3 ALA A  15       3.068  -5.571  -4.879  1.00  1.85           H  
ATOM     55  N   ILE A  16       1.506  -1.874  -4.856  1.00  0.70           N  
ATOM     56  CA  ILE A  16       0.150  -1.392  -4.453  1.00  0.61           C  
ATOM     57  C   ILE A  16      -0.804  -1.408  -5.653  1.00  0.61           C  
ATOM     58  O   ILE A  16      -1.971  -1.715  -5.517  1.00  0.75           O  
ATOM     59  CB  ILE A  16       0.258   0.033  -3.905  1.00  0.77           C  
ATOM     60  CG1 ILE A  16      -1.056   0.395  -3.195  1.00  0.87           C  
ATOM     61  CG2 ILE A  16       0.504   1.004  -5.065  1.00  0.89           C  
ATOM     62  CD1 ILE A  16      -0.913   1.768  -2.535  1.00  1.05           C  
ATOM     63  H   ILE A  16       2.274  -1.266  -4.842  1.00  0.91           H  
ATOM     64  HA  ILE A  16      -0.240  -2.038  -3.683  1.00  0.63           H  
ATOM     65  HB  ILE A  16       1.076   0.092  -3.207  1.00  0.86           H  
ATOM     66 HG12 ILE A  16      -1.864   0.418  -3.911  1.00  0.93           H  
ATOM     67 HG13 ILE A  16      -1.275  -0.346  -2.440  1.00  0.89           H  
ATOM     68 HG21 ILE A  16       1.165   0.549  -5.786  1.00  1.44           H  
ATOM     69 HG22 ILE A  16      -0.431   1.250  -5.544  1.00  1.23           H  
ATOM     70 HG23 ILE A  16       0.959   1.910  -4.691  1.00  1.39           H  
ATOM     71 HD11 ILE A  16      -0.042   1.777  -1.898  1.00  1.35           H  
ATOM     72 HD12 ILE A  16      -0.810   2.529  -3.292  1.00  1.45           H  
ATOM     73 HD13 ILE A  16      -1.789   1.977  -1.939  1.00  1.58           H  
ATOM     74  N   ARG A  17      -0.286  -1.078  -6.805  1.00  0.70           N  
ATOM     75  CA  ARG A  17      -1.151  -1.069  -8.021  1.00  0.89           C  
ATOM     76  C   ARG A  17      -1.624  -2.489  -8.346  1.00  0.86           C  
ATOM     77  O   ARG A  17      -2.793  -2.717  -8.584  1.00  1.02           O  
ATOM     78  CB  ARG A  17      -0.352  -0.516  -9.199  1.00  1.08           C  
ATOM     79  CG  ARG A  17       0.043   0.932  -8.900  1.00  1.25           C  
ATOM     80  CD  ARG A  17       0.713   1.534 -10.137  1.00  1.91           C  
ATOM     81  NE  ARG A  17       1.128   2.932  -9.829  1.00  2.45           N  
ATOM     82  CZ  ARG A  17       1.096   3.833 -10.773  1.00  3.21           C  
ATOM     83  NH1 ARG A  17       1.307   3.462 -12.007  1.00  3.80           N  
ATOM     84  NH2 ARG A  17       0.855   5.075 -10.453  1.00  3.81           N  
ATOM     85  H   ARG A  17       0.662  -0.838  -6.870  1.00  0.76           H  
ATOM     86  HA  ARG A  17      -2.007  -0.439  -7.845  1.00  0.99           H  
ATOM     87  HB2 ARG A  17       0.537  -1.112  -9.345  1.00  1.09           H  
ATOM     88  HB3 ARG A  17      -0.954  -0.551 -10.095  1.00  1.24           H  
ATOM     89  HG2 ARG A  17      -0.838   1.504  -8.651  1.00  1.40           H  
ATOM     90  HG3 ARG A  17       0.729   0.956  -8.068  1.00  1.34           H  
ATOM     91  HD2 ARG A  17       1.584   0.953 -10.403  1.00  2.40           H  
ATOM     92  HD3 ARG A  17       0.020   1.540 -10.965  1.00  2.36           H  
ATOM     93  HE  ARG A  17       1.422   3.173  -8.926  1.00  2.69           H  
ATOM     94 HH11 ARG A  17       1.489   2.502 -12.216  1.00  3.78           H  
ATOM     95 HH12 ARG A  17       1.285   4.138 -12.743  1.00  4.51           H  
ATOM     96 HH21 ARG A  17       0.698   5.323  -9.497  1.00  3.80           H  
ATOM     97 HH22 ARG A  17       0.826   5.778 -11.164  1.00  4.54           H  
ATOM     98  N   ARG A  18      -0.703  -3.413  -8.348  1.00  0.79           N  
ATOM     99  CA  ARG A  18      -1.081  -4.823  -8.657  1.00  0.86           C  
ATOM    100  C   ARG A  18      -1.854  -5.436  -7.482  1.00  0.75           C  
ATOM    101  O   ARG A  18      -2.450  -6.487  -7.611  1.00  0.94           O  
ATOM    102  CB  ARG A  18       0.189  -5.636  -8.913  1.00  0.98           C  
ATOM    103  CG  ARG A  18       1.004  -4.956 -10.016  1.00  1.19           C  
ATOM    104  CD  ARG A  18       1.361  -5.989 -11.087  1.00  1.73           C  
ATOM    105  NE  ARG A  18       2.137  -5.318 -12.168  1.00  2.32           N  
ATOM    106  CZ  ARG A  18       3.209  -5.893 -12.642  1.00  2.96           C  
ATOM    107  NH1 ARG A  18       3.086  -7.021 -13.287  1.00  3.60           N  
ATOM    108  NH2 ARG A  18       4.367  -5.322 -12.453  1.00  3.47           N  
ATOM    109  H   ARG A  18       0.228  -3.184  -8.148  1.00  0.80           H  
ATOM    110  HA  ARG A  18      -1.698  -4.842  -9.538  1.00  0.98           H  
ATOM    111  HB2 ARG A  18       0.775  -5.687  -8.008  1.00  0.97           H  
ATOM    112  HB3 ARG A  18      -0.077  -6.635  -9.221  1.00  1.07           H  
ATOM    113  HG2 ARG A  18       0.423  -4.160 -10.459  1.00  1.50           H  
ATOM    114  HG3 ARG A  18       1.908  -4.541  -9.596  1.00  1.40           H  
ATOM    115  HD2 ARG A  18       1.959  -6.776 -10.654  1.00  2.18           H  
ATOM    116  HD3 ARG A  18       0.460  -6.413 -11.504  1.00  2.26           H  
ATOM    117  HE  ARG A  18       1.845  -4.451 -12.520  1.00  2.74           H  
ATOM    118 HH11 ARG A  18       2.182  -7.429 -13.413  1.00  3.69           H  
ATOM    119 HH12 ARG A  18       3.896  -7.475 -13.657  1.00  4.27           H  
ATOM    120 HH21 ARG A  18       4.423  -4.457 -11.954  1.00  3.46           H  
ATOM    121 HH22 ARG A  18       5.198  -5.748 -12.808  1.00  4.18           H  
ATOM    122  N   LEU A  19      -1.830  -4.765  -6.362  1.00  0.52           N  
ATOM    123  CA  LEU A  19      -2.562  -5.298  -5.175  1.00  0.47           C  
ATOM    124  C   LEU A  19      -4.072  -5.281  -5.435  1.00  0.45           C  
ATOM    125  O   LEU A  19      -4.798  -6.121  -4.944  1.00  0.55           O  
ATOM    126  CB  LEU A  19      -2.248  -4.429  -3.958  1.00  0.50           C  
ATOM    127  CG  LEU A  19      -2.568  -5.213  -2.684  1.00  0.59           C  
ATOM    128  CD1 LEU A  19      -1.312  -5.954  -2.219  1.00  0.72           C  
ATOM    129  CD2 LEU A  19      -3.012  -4.239  -1.591  1.00  0.70           C  
ATOM    130  H   LEU A  19      -1.336  -3.921  -6.302  1.00  0.51           H  
ATOM    131  HA  LEU A  19      -2.244  -6.308  -4.982  1.00  0.51           H  
ATOM    132  HB2 LEU A  19      -1.203  -4.160  -3.964  1.00  0.54           H  
ATOM    133  HB3 LEU A  19      -2.844  -3.529  -3.990  1.00  0.53           H  
ATOM    134  HG  LEU A  19      -3.358  -5.923  -2.882  1.00  0.58           H  
ATOM    135 HD11 LEU A  19      -0.752  -6.296  -3.077  1.00  1.18           H  
ATOM    136 HD12 LEU A  19      -0.694  -5.291  -1.632  1.00  1.29           H  
ATOM    137 HD13 LEU A  19      -1.594  -6.805  -1.616  1.00  1.22           H  
ATOM    138 HD21 LEU A  19      -2.243  -3.498  -1.429  1.00  1.28           H  
ATOM    139 HD22 LEU A  19      -3.924  -3.746  -1.890  1.00  1.24           H  
ATOM    140 HD23 LEU A  19      -3.185  -4.777  -0.670  1.00  1.16           H  
ATOM    141  N   LEU A  20      -4.509  -4.322  -6.203  1.00  0.46           N  
ATOM    142  CA  LEU A  20      -5.967  -4.234  -6.506  1.00  0.53           C  
ATOM    143  C   LEU A  20      -6.335  -5.207  -7.630  1.00  0.58           C  
ATOM    144  O   LEU A  20      -7.440  -5.712  -7.681  1.00  0.72           O  
ATOM    145  CB  LEU A  20      -6.303  -2.807  -6.937  1.00  0.66           C  
ATOM    146  CG  LEU A  20      -6.247  -1.887  -5.715  1.00  0.72           C  
ATOM    147  CD1 LEU A  20      -5.828  -0.485  -6.158  1.00  0.83           C  
ATOM    148  CD2 LEU A  20      -7.634  -1.819  -5.071  1.00  0.89           C  
ATOM    149  H   LEU A  20      -3.886  -3.665  -6.579  1.00  0.52           H  
ATOM    150  HA  LEU A  20      -6.530  -4.479  -5.622  1.00  0.55           H  
ATOM    151  HB2 LEU A  20      -5.588  -2.473  -7.675  1.00  0.73           H  
ATOM    152  HB3 LEU A  20      -7.293  -2.780  -7.366  1.00  0.76           H  
ATOM    153  HG  LEU A  20      -5.533  -2.274  -5.001  1.00  0.74           H  
ATOM    154 HD11 LEU A  20      -6.243  -0.270  -7.131  1.00  1.23           H  
ATOM    155 HD12 LEU A  20      -6.190   0.244  -5.448  1.00  1.32           H  
ATOM    156 HD13 LEU A  20      -4.751  -0.425  -6.210  1.00  1.33           H  
ATOM    157 HD21 LEU A  20      -7.951  -2.810  -4.781  1.00  1.36           H  
ATOM    158 HD22 LEU A  20      -7.599  -1.187  -4.196  1.00  1.40           H  
ATOM    159 HD23 LEU A  20      -8.344  -1.411  -5.776  1.00  1.29           H  
ATOM    160  N   ALA A  21      -5.400  -5.452  -8.508  1.00  0.60           N  
ATOM    161  CA  ALA A  21      -5.680  -6.392  -9.632  1.00  0.72           C  
ATOM    162  C   ALA A  21      -5.379  -7.832  -9.205  1.00  0.66           C  
ATOM    163  O   ALA A  21      -5.678  -8.770  -9.918  1.00  0.90           O  
ATOM    164  CB  ALA A  21      -4.801  -6.020 -10.825  1.00  0.89           C  
ATOM    165  H   ALA A  21      -4.523  -5.022  -8.428  1.00  0.64           H  
ATOM    166  HA  ALA A  21      -6.715  -6.312  -9.916  1.00  0.81           H  
ATOM    167  HB1 ALA A  21      -4.866  -4.957 -11.009  1.00  1.32           H  
ATOM    168  HB2 ALA A  21      -3.774  -6.281 -10.617  1.00  1.28           H  
ATOM    169  HB3 ALA A  21      -5.133  -6.554 -11.704  1.00  1.37           H  
ATOM    170  N   GLU A  22      -4.792  -7.976  -8.048  1.00  0.52           N  
ATOM    171  CA  GLU A  22      -4.464  -9.347  -7.559  1.00  0.60           C  
ATOM    172  C   GLU A  22      -5.657  -9.936  -6.797  1.00  0.58           C  
ATOM    173  O   GLU A  22      -6.016 -11.080  -6.991  1.00  0.77           O  
ATOM    174  CB  GLU A  22      -3.252  -9.271  -6.632  1.00  0.68           C  
ATOM    175  CG  GLU A  22      -2.955 -10.665  -6.077  1.00  0.91           C  
ATOM    176  CD  GLU A  22      -1.453 -10.800  -5.823  1.00  1.44           C  
ATOM    177  OE1 GLU A  22      -0.861  -9.776  -5.524  1.00  2.02           O  
ATOM    178  OE2 GLU A  22      -0.981 -11.919  -5.942  1.00  2.10           O  
ATOM    179  H   GLU A  22      -4.568  -7.191  -7.506  1.00  0.52           H  
ATOM    180  HA  GLU A  22      -4.230  -9.979  -8.398  1.00  0.71           H  
ATOM    181  HB2 GLU A  22      -2.396  -8.911  -7.183  1.00  0.75           H  
ATOM    182  HB3 GLU A  22      -3.460  -8.593  -5.817  1.00  0.65           H  
ATOM    183  HG2 GLU A  22      -3.488 -10.812  -5.150  1.00  1.33           H  
ATOM    184  HG3 GLU A  22      -3.265 -11.416  -6.790  1.00  1.21           H  
ATOM    185  N   HIS A  23      -6.244  -9.138  -5.944  1.00  0.47           N  
ATOM    186  CA  HIS A  23      -7.415  -9.634  -5.161  1.00  0.53           C  
ATOM    187  C   HIS A  23      -8.721  -9.182  -5.822  1.00  0.52           C  
ATOM    188  O   HIS A  23      -9.797  -9.464  -5.334  1.00  0.62           O  
ATOM    189  CB  HIS A  23      -7.342  -9.073  -3.742  1.00  0.55           C  
ATOM    190  CG  HIS A  23      -5.903  -9.171  -3.232  1.00  0.62           C  
ATOM    191  ND1 HIS A  23      -5.225 -10.225  -3.195  1.00  0.75           N  
ATOM    192  CD2 HIS A  23      -5.076  -8.187  -2.726  1.00  0.66           C  
ATOM    193  CE1 HIS A  23      -4.064 -10.011  -2.723  1.00  0.82           C  
ATOM    194  NE2 HIS A  23      -3.880  -8.734  -2.396  1.00  0.77           N  
ATOM    195  H   HIS A  23      -5.920  -8.222  -5.821  1.00  0.49           H  
ATOM    196  HA  HIS A  23      -7.390 -10.709  -5.120  1.00  0.64           H  
ATOM    197  HB2 HIS A  23      -7.651  -8.039  -3.741  1.00  0.51           H  
ATOM    198  HB3 HIS A  23      -7.991  -9.641  -3.091  1.00  0.62           H  
ATOM    199  HD1 HIS A  23      -5.548 -11.102  -3.493  1.00  0.82           H  
ATOM    200  HD2 HIS A  23      -5.341  -7.146  -2.611  1.00  0.67           H  
ATOM    201  HE1 HIS A  23      -3.313 -10.777  -2.602  1.00  0.96           H  
ATOM    202  N   ASN A  24      -8.597  -8.487  -6.920  1.00  0.55           N  
ATOM    203  CA  ASN A  24      -9.821  -8.007  -7.625  1.00  0.66           C  
ATOM    204  C   ASN A  24     -10.751  -7.287  -6.644  1.00  0.57           C  
ATOM    205  O   ASN A  24     -11.609  -7.896  -6.038  1.00  0.75           O  
ATOM    206  CB  ASN A  24     -10.549  -9.206  -8.231  1.00  0.85           C  
ATOM    207  CG  ASN A  24     -10.241  -9.282  -9.728  1.00  1.52           C  
ATOM    208  OD1 ASN A  24     -11.122  -9.461 -10.546  1.00  2.25           O  
ATOM    209  ND2 ASN A  24      -9.005  -9.151 -10.127  1.00  2.13           N  
ATOM    210  H   ASN A  24      -7.707  -8.282  -7.277  1.00  0.59           H  
ATOM    211  HA  ASN A  24      -9.537  -7.330  -8.413  1.00  0.75           H  
ATOM    212  HB2 ASN A  24     -10.219 -10.116  -7.752  1.00  1.22           H  
ATOM    213  HB3 ASN A  24     -11.615  -9.095  -8.091  1.00  1.18           H  
ATOM    214 HD21 ASN A  24      -8.291  -9.006  -9.473  1.00  2.35           H  
ATOM    215 HD22 ASN A  24      -8.792  -9.198 -11.083  1.00  2.77           H  
ATOM    216  N   LEU A  25     -10.557  -6.002  -6.509  1.00  0.53           N  
ATOM    217  CA  LEU A  25     -11.421  -5.225  -5.572  1.00  0.52           C  
ATOM    218  C   LEU A  25     -11.711  -3.836  -6.152  1.00  0.57           C  
ATOM    219  O   LEU A  25     -10.839  -3.202  -6.715  1.00  0.79           O  
ATOM    220  CB  LEU A  25     -10.698  -5.076  -4.231  1.00  0.62           C  
ATOM    221  CG  LEU A  25     -10.877  -6.361  -3.405  1.00  0.89           C  
ATOM    222  CD1 LEU A  25      -9.961  -6.299  -2.182  1.00  1.07           C  
ATOM    223  CD2 LEU A  25     -12.335  -6.490  -2.933  1.00  1.08           C  
ATOM    224  H   LEU A  25      -9.852  -5.552  -7.020  1.00  0.70           H  
ATOM    225  HA  LEU A  25     -12.349  -5.748  -5.424  1.00  0.58           H  
ATOM    226  HB2 LEU A  25      -9.646  -4.908  -4.408  1.00  0.74           H  
ATOM    227  HB3 LEU A  25     -11.100  -4.232  -3.690  1.00  0.63           H  
ATOM    228  HG  LEU A  25     -10.615  -7.218  -4.008  1.00  1.02           H  
ATOM    229 HD11 LEU A  25      -8.935  -6.178  -2.499  1.00  1.61           H  
ATOM    230 HD12 LEU A  25     -10.241  -5.462  -1.558  1.00  1.49           H  
ATOM    231 HD13 LEU A  25     -10.051  -7.212  -1.611  1.00  1.38           H  
ATOM    232 HD21 LEU A  25     -12.879  -5.584  -3.153  1.00  1.35           H  
ATOM    233 HD22 LEU A  25     -12.808  -7.317  -3.439  1.00  1.55           H  
ATOM    234 HD23 LEU A  25     -12.357  -6.666  -1.869  1.00  1.56           H  
ATOM    235  N   ASP A  26     -12.929  -3.393  -6.002  1.00  0.65           N  
ATOM    236  CA  ASP A  26     -13.293  -2.049  -6.539  1.00  0.80           C  
ATOM    237  C   ASP A  26     -12.994  -0.965  -5.497  1.00  0.72           C  
ATOM    238  O   ASP A  26     -13.661  -0.872  -4.486  1.00  0.78           O  
ATOM    239  CB  ASP A  26     -14.782  -2.033  -6.880  1.00  1.04           C  
ATOM    240  CG  ASP A  26     -15.018  -2.851  -8.151  1.00  1.82           C  
ATOM    241  OD1 ASP A  26     -14.164  -3.674  -8.433  1.00  2.38           O  
ATOM    242  OD2 ASP A  26     -16.041  -2.605  -8.771  1.00  2.49           O  
ATOM    243  H   ASP A  26     -13.599  -3.939  -5.541  1.00  0.75           H  
ATOM    244  HA  ASP A  26     -12.722  -1.854  -7.430  1.00  0.90           H  
ATOM    245  HB2 ASP A  26     -15.347  -2.465  -6.068  1.00  1.26           H  
ATOM    246  HB3 ASP A  26     -15.109  -1.016  -7.042  1.00  1.35           H  
ATOM    247  N   ALA A  27     -11.998  -0.167  -5.769  1.00  0.73           N  
ATOM    248  CA  ALA A  27     -11.642   0.916  -4.806  1.00  0.70           C  
ATOM    249  C   ALA A  27     -12.808   1.900  -4.659  1.00  0.71           C  
ATOM    250  O   ALA A  27     -12.856   2.675  -3.725  1.00  0.71           O  
ATOM    251  CB  ALA A  27     -10.411   1.658  -5.323  1.00  0.84           C  
ATOM    252  H   ALA A  27     -11.488  -0.278  -6.598  1.00  0.84           H  
ATOM    253  HA  ALA A  27     -11.418   0.482  -3.847  1.00  0.66           H  
ATOM    254  HB1 ALA A  27      -9.957   1.097  -6.126  1.00  1.37           H  
ATOM    255  HB2 ALA A  27     -10.700   2.633  -5.689  1.00  1.28           H  
ATOM    256  HB3 ALA A  27      -9.695   1.777  -4.523  1.00  1.30           H  
ATOM    257  N   SER A  28     -13.723   1.847  -5.588  1.00  0.82           N  
ATOM    258  CA  SER A  28     -14.891   2.773  -5.520  1.00  0.92           C  
ATOM    259  C   SER A  28     -15.694   2.521  -4.239  1.00  0.83           C  
ATOM    260  O   SER A  28     -16.335   3.413  -3.720  1.00  0.90           O  
ATOM    261  CB  SER A  28     -15.786   2.539  -6.735  1.00  1.10           C  
ATOM    262  OG  SER A  28     -14.984   2.933  -7.838  1.00  1.75           O  
ATOM    263  H   SER A  28     -13.643   1.205  -6.325  1.00  0.88           H  
ATOM    264  HA  SER A  28     -14.541   3.792  -5.528  1.00  0.99           H  
ATOM    265  HB2 SER A  28     -16.051   1.495  -6.820  1.00  1.29           H  
ATOM    266  HB3 SER A  28     -16.674   3.150  -6.681  1.00  1.66           H  
ATOM    267  HG  SER A  28     -15.568   3.150  -8.568  1.00  2.15           H  
ATOM    268  N   ALA A  29     -15.640   1.310  -3.757  1.00  0.78           N  
ATOM    269  CA  ALA A  29     -16.395   0.984  -2.512  1.00  0.82           C  
ATOM    270  C   ALA A  29     -15.557   1.333  -1.278  1.00  0.74           C  
ATOM    271  O   ALA A  29     -16.059   1.373  -0.173  1.00  0.89           O  
ATOM    272  CB  ALA A  29     -16.719  -0.511  -2.503  1.00  0.91           C  
ATOM    273  H   ALA A  29     -15.108   0.621  -4.208  1.00  0.79           H  
ATOM    274  HA  ALA A  29     -17.312   1.546  -2.492  1.00  0.92           H  
ATOM    275  HB1 ALA A  29     -16.979  -0.834  -3.499  1.00  1.41           H  
ATOM    276  HB2 ALA A  29     -15.859  -1.067  -2.161  1.00  1.38           H  
ATOM    277  HB3 ALA A  29     -17.551  -0.699  -1.839  1.00  1.26           H  
ATOM    278  N   ILE A  30     -14.293   1.581  -1.496  1.00  0.62           N  
ATOM    279  CA  ILE A  30     -13.402   1.927  -0.348  1.00  0.61           C  
ATOM    280  C   ILE A  30     -13.248   3.449  -0.241  1.00  0.69           C  
ATOM    281  O   ILE A  30     -13.228   4.146  -1.236  1.00  0.83           O  
ATOM    282  CB  ILE A  30     -12.024   1.287  -0.579  1.00  0.56           C  
ATOM    283  CG1 ILE A  30     -12.204  -0.210  -0.905  1.00  0.59           C  
ATOM    284  CG2 ILE A  30     -11.147   1.457   0.681  1.00  0.67           C  
ATOM    285  CD1 ILE A  30     -13.037  -0.891   0.188  1.00  0.74           C  
ATOM    286  H   ILE A  30     -13.931   1.539  -2.407  1.00  0.64           H  
ATOM    287  HA  ILE A  30     -13.831   1.548   0.561  1.00  0.70           H  
ATOM    288  HB  ILE A  30     -11.542   1.776  -1.412  1.00  0.61           H  
ATOM    289 HG12 ILE A  30     -12.710  -0.309  -1.854  1.00  0.65           H  
ATOM    290 HG13 ILE A  30     -11.237  -0.687  -0.975  1.00  0.60           H  
ATOM    291 HG21 ILE A  30     -11.767   1.632   1.545  1.00  1.21           H  
ATOM    292 HG22 ILE A  30     -10.559   0.567   0.843  1.00  1.24           H  
ATOM    293 HG23 ILE A  30     -10.482   2.299   0.548  1.00  1.14           H  
ATOM    294 HD11 ILE A  30     -12.768  -0.500   1.156  1.00  1.25           H  
ATOM    295 HD12 ILE A  30     -14.087  -0.711   0.011  1.00  1.25           H  
ATOM    296 HD13 ILE A  30     -12.854  -1.955   0.173  1.00  1.29           H  
ATOM    297  N   LYS A  31     -13.144   3.931   0.968  1.00  0.83           N  
ATOM    298  CA  LYS A  31     -12.989   5.404   1.160  1.00  0.96           C  
ATOM    299  C   LYS A  31     -11.506   5.767   1.286  1.00  0.91           C  
ATOM    300  O   LYS A  31     -10.814   5.268   2.152  1.00  1.17           O  
ATOM    301  CB  LYS A  31     -13.725   5.823   2.432  1.00  1.23           C  
ATOM    302  CG  LYS A  31     -15.198   5.427   2.315  1.00  1.84           C  
ATOM    303  CD  LYS A  31     -15.903   5.717   3.642  1.00  2.18           C  
ATOM    304  CE  LYS A  31     -17.409   5.507   3.468  1.00  2.93           C  
ATOM    305  NZ  LYS A  31     -18.125   6.812   3.508  1.00  3.65           N  
ATOM    306  H   LYS A  31     -13.168   3.331   1.743  1.00  0.97           H  
ATOM    307  HA  LYS A  31     -13.413   5.920   0.316  1.00  1.03           H  
ATOM    308  HB2 LYS A  31     -13.283   5.330   3.285  1.00  1.49           H  
ATOM    309  HB3 LYS A  31     -13.646   6.893   2.561  1.00  1.59           H  
ATOM    310  HG2 LYS A  31     -15.665   5.994   1.524  1.00  2.37           H  
ATOM    311  HG3 LYS A  31     -15.274   4.373   2.086  1.00  2.27           H  
ATOM    312  HD2 LYS A  31     -15.529   5.049   4.404  1.00  2.37           H  
ATOM    313  HD3 LYS A  31     -15.711   6.737   3.939  1.00  2.40           H  
ATOM    314  HE2 LYS A  31     -17.600   5.028   2.519  1.00  3.25           H  
ATOM    315  HE3 LYS A  31     -17.780   4.877   4.262  1.00  3.28           H  
ATOM    316  HZ1 LYS A  31     -17.500   7.562   3.148  1.00  3.87           H  
ATOM    317  HZ2 LYS A  31     -18.978   6.758   2.915  1.00  4.07           H  
ATOM    318  HZ3 LYS A  31     -18.398   7.028   4.488  1.00  3.99           H  
ATOM    319  N   GLY A  32     -11.050   6.628   0.418  1.00  1.02           N  
ATOM    320  CA  GLY A  32      -9.617   7.034   0.474  1.00  1.10           C  
ATOM    321  C   GLY A  32      -9.460   8.323   1.282  1.00  1.33           C  
ATOM    322  O   GLY A  32      -9.417   9.405   0.729  1.00  1.71           O  
ATOM    323  H   GLY A  32     -11.644   7.003  -0.264  1.00  1.26           H  
ATOM    324  HA2 GLY A  32      -9.041   6.248   0.940  1.00  1.00           H  
ATOM    325  HA3 GLY A  32      -9.253   7.196  -0.531  1.00  1.24           H  
ATOM    326  N   THR A  33      -9.378   8.183   2.577  1.00  1.41           N  
ATOM    327  CA  THR A  33      -9.222   9.392   3.438  1.00  1.70           C  
ATOM    328  C   THR A  33      -7.769   9.880   3.407  1.00  1.82           C  
ATOM    329  O   THR A  33      -7.268  10.407   4.380  1.00  2.42           O  
ATOM    330  CB  THR A  33      -9.610   9.038   4.876  1.00  1.88           C  
ATOM    331  OG1 THR A  33      -8.817   7.899   5.196  1.00  1.81           O  
ATOM    332  CG2 THR A  33     -11.056   8.560   4.965  1.00  1.98           C  
ATOM    333  H   THR A  33      -9.419   7.290   2.981  1.00  1.46           H  
ATOM    334  HA  THR A  33      -9.868  10.173   3.077  1.00  1.84           H  
ATOM    335  HB  THR A  33      -9.424   9.849   5.557  1.00  2.14           H  
ATOM    336  HG1 THR A  33      -8.279   7.687   4.430  1.00  2.01           H  
ATOM    337 HG21 THR A  33     -11.384   8.205   3.998  1.00  2.28           H  
ATOM    338 HG22 THR A  33     -11.132   7.757   5.682  1.00  2.28           H  
ATOM    339 HG23 THR A  33     -11.692   9.376   5.277  1.00  2.21           H  
ATOM    340  N   GLY A  34      -7.125   9.692   2.288  1.00  1.53           N  
ATOM    341  CA  GLY A  34      -5.708  10.138   2.176  1.00  1.66           C  
ATOM    342  C   GLY A  34      -5.614  11.657   2.335  1.00  1.90           C  
ATOM    343  O   GLY A  34      -6.616  12.333   2.466  1.00  2.01           O  
ATOM    344  H   GLY A  34      -7.569   9.261   1.528  1.00  1.54           H  
ATOM    345  HA2 GLY A  34      -5.121   9.662   2.947  1.00  1.75           H  
ATOM    346  HA3 GLY A  34      -5.319   9.857   1.208  1.00  1.61           H  
ATOM    347  N   VAL A  35      -4.412  12.164   2.321  1.00  2.11           N  
ATOM    348  CA  VAL A  35      -4.237  13.639   2.470  1.00  2.42           C  
ATOM    349  C   VAL A  35      -4.784  14.363   1.236  1.00  2.54           C  
ATOM    350  O   VAL A  35      -4.031  14.781   0.377  1.00  3.07           O  
ATOM    351  CB  VAL A  35      -2.751  13.953   2.629  1.00  2.66           C  
ATOM    352  CG1 VAL A  35      -2.573  15.457   2.848  1.00  2.98           C  
ATOM    353  CG2 VAL A  35      -2.204  13.200   3.843  1.00  2.77           C  
ATOM    354  H   VAL A  35      -3.631  11.581   2.213  1.00  2.14           H  
ATOM    355  HA  VAL A  35      -4.767  13.974   3.345  1.00  2.54           H  
ATOM    356  HB  VAL A  35      -2.216  13.649   1.741  1.00  2.69           H  
ATOM    357 HG11 VAL A  35      -3.310  15.811   3.554  1.00  3.24           H  
ATOM    358 HG12 VAL A  35      -1.585  15.656   3.235  1.00  3.24           H  
ATOM    359 HG13 VAL A  35      -2.699  15.979   1.911  1.00  3.06           H  
ATOM    360 HG21 VAL A  35      -2.767  13.471   4.724  1.00  2.92           H  
ATOM    361 HG22 VAL A  35      -2.289  12.136   3.681  1.00  2.91           H  
ATOM    362 HG23 VAL A  35      -1.164  13.454   3.993  1.00  3.07           H  
ATOM    363  N   GLY A  36      -6.087  14.494   1.179  1.00  2.42           N  
ATOM    364  CA  GLY A  36      -6.718  15.186   0.013  1.00  2.61           C  
ATOM    365  C   GLY A  36      -7.739  14.266  -0.660  1.00  2.41           C  
ATOM    366  O   GLY A  36      -8.181  14.526  -1.762  1.00  2.68           O  
ATOM    367  H   GLY A  36      -6.647  14.139   1.901  1.00  2.51           H  
ATOM    368  HA2 GLY A  36      -7.218  16.079   0.358  1.00  2.90           H  
ATOM    369  HA3 GLY A  36      -5.959  15.458  -0.703  1.00  2.76           H  
ATOM    370  N   GLY A  37      -8.091  13.208   0.018  1.00  2.13           N  
ATOM    371  CA  GLY A  37      -9.081  12.260  -0.568  1.00  2.06           C  
ATOM    372  C   GLY A  37      -8.374  11.236  -1.458  1.00  1.84           C  
ATOM    373  O   GLY A  37      -8.940  10.749  -2.418  1.00  1.99           O  
ATOM    374  H   GLY A  37      -7.709  13.039   0.904  1.00  2.14           H  
ATOM    375  HA2 GLY A  37      -9.597  11.746   0.230  1.00  2.05           H  
ATOM    376  HA3 GLY A  37      -9.797  12.812  -1.158  1.00  2.32           H  
ATOM    377  N   ARG A  38      -7.151  10.929  -1.121  1.00  1.67           N  
ATOM    378  CA  ARG A  38      -6.393   9.937  -1.938  1.00  1.56           C  
ATOM    379  C   ARG A  38      -6.547   8.533  -1.344  1.00  1.31           C  
ATOM    380  O   ARG A  38      -6.923   8.379  -0.198  1.00  1.32           O  
ATOM    381  CB  ARG A  38      -4.915  10.326  -1.949  1.00  1.64           C  
ATOM    382  CG  ARG A  38      -4.711  11.496  -2.911  1.00  2.22           C  
ATOM    383  CD  ARG A  38      -3.453  12.267  -2.506  1.00  2.35           C  
ATOM    384  NE  ARG A  38      -2.292  11.333  -2.507  1.00  3.00           N  
ATOM    385  CZ  ARG A  38      -1.313  11.529  -3.348  1.00  3.70           C  
ATOM    386  NH1 ARG A  38      -0.807  12.726  -3.458  1.00  4.27           N  
ATOM    387  NH2 ARG A  38      -0.872  10.519  -4.048  1.00  4.27           N  
ATOM    388  H   ARG A  38      -6.735  11.347  -0.338  1.00  1.77           H  
ATOM    389  HA  ARG A  38      -6.769   9.942  -2.946  1.00  1.69           H  
ATOM    390  HB2 ARG A  38      -4.609  10.616  -0.955  1.00  1.94           H  
ATOM    391  HB3 ARG A  38      -4.320   9.483  -2.271  1.00  1.68           H  
ATOM    392  HG2 ARG A  38      -4.599  11.124  -3.919  1.00  2.65           H  
ATOM    393  HG3 ARG A  38      -5.568  12.154  -2.871  1.00  2.75           H  
ATOM    394  HD2 ARG A  38      -3.269  13.067  -3.209  1.00  2.64           H  
ATOM    395  HD3 ARG A  38      -3.579  12.681  -1.517  1.00  2.39           H  
ATOM    396  HE  ARG A  38      -2.264  10.578  -1.882  1.00  3.26           H  
ATOM    397 HH11 ARG A  38      -1.171  13.476  -2.905  1.00  4.25           H  
ATOM    398 HH12 ARG A  38      -0.056  12.895  -4.097  1.00  4.97           H  
ATOM    399 HH21 ARG A  38      -1.284   9.615  -3.936  1.00  4.25           H  
ATOM    400 HH22 ARG A  38      -0.122  10.651  -4.696  1.00  4.97           H  
ATOM    401  N   LEU A  39      -6.254   7.539  -2.137  1.00  1.18           N  
ATOM    402  CA  LEU A  39      -6.380   6.138  -1.636  1.00  0.95           C  
ATOM    403  C   LEU A  39      -5.019   5.625  -1.152  1.00  0.89           C  
ATOM    404  O   LEU A  39      -4.111   5.434  -1.937  1.00  1.14           O  
ATOM    405  CB  LEU A  39      -6.887   5.247  -2.769  1.00  1.00           C  
ATOM    406  CG  LEU A  39      -7.356   3.913  -2.185  1.00  0.92           C  
ATOM    407  CD1 LEU A  39      -8.852   3.997  -1.877  1.00  1.03           C  
ATOM    408  CD2 LEU A  39      -7.115   2.802  -3.210  1.00  1.00           C  
ATOM    409  H   LEU A  39      -5.954   7.711  -3.055  1.00  1.29           H  
ATOM    410  HA  LEU A  39      -7.082   6.112  -0.822  1.00  0.89           H  
ATOM    411  HB2 LEU A  39      -7.710   5.732  -3.272  1.00  1.08           H  
ATOM    412  HB3 LEU A  39      -6.091   5.073  -3.477  1.00  1.13           H  
ATOM    413  HG  LEU A  39      -6.809   3.698  -1.280  1.00  1.07           H  
ATOM    414 HD11 LEU A  39      -9.069   4.926  -1.373  1.00  1.40           H  
ATOM    415 HD12 LEU A  39      -9.417   3.951  -2.797  1.00  1.47           H  
ATOM    416 HD13 LEU A  39      -9.140   3.172  -1.242  1.00  1.52           H  
ATOM    417 HD21 LEU A  39      -7.601   3.053  -4.142  1.00  1.39           H  
ATOM    418 HD22 LEU A  39      -6.054   2.690  -3.383  1.00  1.43           H  
ATOM    419 HD23 LEU A  39      -7.515   1.871  -2.840  1.00  1.42           H  
ATOM    420  N   THR A  40      -4.910   5.413   0.130  1.00  0.74           N  
ATOM    421  CA  THR A  40      -3.617   4.911   0.685  1.00  0.74           C  
ATOM    422  C   THR A  40      -3.670   3.389   0.854  1.00  0.64           C  
ATOM    423  O   THR A  40      -4.539   2.733   0.316  1.00  0.69           O  
ATOM    424  CB  THR A  40      -3.367   5.567   2.046  1.00  0.79           C  
ATOM    425  OG1 THR A  40      -4.355   5.007   2.905  1.00  0.73           O  
ATOM    426  CG2 THR A  40      -3.665   7.064   2.010  1.00  0.96           C  
ATOM    427  H   THR A  40      -5.670   5.581   0.726  1.00  0.80           H  
ATOM    428  HA  THR A  40      -2.816   5.169   0.013  1.00  0.90           H  
ATOM    429  HB  THR A  40      -2.375   5.375   2.412  1.00  0.94           H  
ATOM    430  HG1 THR A  40      -5.106   4.747   2.365  1.00  1.22           H  
ATOM    431 HG21 THR A  40      -3.053   7.540   1.259  1.00  1.48           H  
ATOM    432 HG22 THR A  40      -4.708   7.222   1.770  1.00  1.24           H  
ATOM    433 HG23 THR A  40      -3.452   7.502   2.973  1.00  1.48           H  
ATOM    434  N   ARG A  41      -2.737   2.861   1.598  1.00  0.68           N  
ATOM    435  CA  ARG A  41      -2.718   1.384   1.811  1.00  0.68           C  
ATOM    436  C   ARG A  41      -3.450   1.026   3.109  1.00  0.62           C  
ATOM    437  O   ARG A  41      -3.966  -0.064   3.253  1.00  0.71           O  
ATOM    438  CB  ARG A  41      -1.268   0.911   1.899  1.00  0.87           C  
ATOM    439  CG  ARG A  41      -1.223  -0.608   1.718  1.00  1.01           C  
ATOM    440  CD  ARG A  41       0.234  -1.073   1.748  1.00  1.38           C  
ATOM    441  NE  ARG A  41       0.274  -2.513   2.128  1.00  1.87           N  
ATOM    442  CZ  ARG A  41       1.130  -2.913   3.029  1.00  2.25           C  
ATOM    443  NH1 ARG A  41       2.287  -2.313   3.110  1.00  2.72           N  
ATOM    444  NH2 ARG A  41       0.800  -3.898   3.819  1.00  2.74           N  
ATOM    445  H   ARG A  41      -2.055   3.430   2.013  1.00  0.83           H  
ATOM    446  HA  ARG A  41      -3.201   0.897   0.982  1.00  0.68           H  
ATOM    447  HB2 ARG A  41      -0.684   1.386   1.124  1.00  0.96           H  
ATOM    448  HB3 ARG A  41      -0.858   1.174   2.863  1.00  0.91           H  
ATOM    449  HG2 ARG A  41      -1.772  -1.084   2.517  1.00  1.10           H  
ATOM    450  HG3 ARG A  41      -1.670  -0.874   0.772  1.00  1.24           H  
ATOM    451  HD2 ARG A  41       0.679  -0.948   0.771  1.00  1.90           H  
ATOM    452  HD3 ARG A  41       0.790  -0.496   2.471  1.00  1.72           H  
ATOM    453  HE  ARG A  41      -0.335  -3.154   1.706  1.00  2.44           H  
ATOM    454 HH11 ARG A  41       2.505  -1.562   2.488  1.00  2.95           H  
ATOM    455 HH12 ARG A  41       2.955  -2.607   3.795  1.00  3.17           H  
ATOM    456 HH21 ARG A  41      -0.096  -4.334   3.727  1.00  2.98           H  
ATOM    457 HH22 ARG A  41       1.443  -4.217   4.515  1.00  3.22           H  
ATOM    458  N   GLU A  42      -3.482   1.955   4.026  1.00  0.60           N  
ATOM    459  CA  GLU A  42      -4.176   1.685   5.319  1.00  0.66           C  
ATOM    460  C   GLU A  42      -5.695   1.694   5.117  1.00  0.59           C  
ATOM    461  O   GLU A  42      -6.448   1.471   6.044  1.00  0.83           O  
ATOM    462  CB  GLU A  42      -3.791   2.765   6.327  1.00  0.81           C  
ATOM    463  CG  GLU A  42      -2.470   2.379   6.996  1.00  1.35           C  
ATOM    464  CD  GLU A  42      -2.054   3.484   7.971  1.00  1.97           C  
ATOM    465  OE1 GLU A  42      -2.930   4.259   8.315  1.00  2.60           O  
ATOM    466  OE2 GLU A  42      -0.885   3.489   8.316  1.00  2.50           O  
ATOM    467  H   GLU A  42      -3.052   2.822   3.867  1.00  0.67           H  
ATOM    468  HA  GLU A  42      -3.871   0.724   5.694  1.00  0.73           H  
ATOM    469  HB2 GLU A  42      -3.679   3.712   5.820  1.00  1.08           H  
ATOM    470  HB3 GLU A  42      -4.564   2.855   7.077  1.00  1.15           H  
ATOM    471  HG2 GLU A  42      -2.590   1.453   7.536  1.00  1.96           H  
ATOM    472  HG3 GLU A  42      -1.702   2.259   6.246  1.00  1.82           H  
ATOM    473  N   ASP A  43      -6.111   1.948   3.906  1.00  0.43           N  
ATOM    474  CA  ASP A  43      -7.577   1.977   3.622  1.00  0.42           C  
ATOM    475  C   ASP A  43      -8.026   0.641   3.018  1.00  0.38           C  
ATOM    476  O   ASP A  43      -8.956   0.022   3.496  1.00  0.54           O  
ATOM    477  CB  ASP A  43      -7.872   3.106   2.636  1.00  0.50           C  
ATOM    478  CG  ASP A  43      -7.773   4.449   3.361  1.00  0.69           C  
ATOM    479  OD1 ASP A  43      -8.781   4.830   3.935  1.00  1.33           O  
ATOM    480  OD2 ASP A  43      -6.697   5.019   3.301  1.00  1.24           O  
ATOM    481  H   ASP A  43      -5.466   2.120   3.188  1.00  0.53           H  
ATOM    482  HA  ASP A  43      -8.116   2.154   4.537  1.00  0.52           H  
ATOM    483  HB2 ASP A  43      -7.156   3.084   1.828  1.00  0.61           H  
ATOM    484  HB3 ASP A  43      -8.868   2.990   2.234  1.00  0.55           H  
ATOM    485  N   VAL A  44      -7.355   0.227   1.978  1.00  0.39           N  
ATOM    486  CA  VAL A  44      -7.729  -1.065   1.331  1.00  0.45           C  
ATOM    487  C   VAL A  44      -7.381  -2.242   2.249  1.00  0.52           C  
ATOM    488  O   VAL A  44      -8.061  -3.248   2.257  1.00  0.58           O  
ATOM    489  CB  VAL A  44      -6.965  -1.203   0.014  1.00  0.61           C  
ATOM    490  CG1 VAL A  44      -7.366  -2.512  -0.667  1.00  0.74           C  
ATOM    491  CG2 VAL A  44      -7.320  -0.030  -0.899  1.00  0.68           C  
ATOM    492  H   VAL A  44      -6.611   0.759   1.627  1.00  0.49           H  
ATOM    493  HA  VAL A  44      -8.786  -1.070   1.129  1.00  0.44           H  
ATOM    494  HB  VAL A  44      -5.902  -1.204   0.209  1.00  0.72           H  
ATOM    495 HG11 VAL A  44      -8.443  -2.572  -0.737  1.00  1.27           H  
ATOM    496 HG12 VAL A  44      -6.943  -2.550  -1.661  1.00  1.25           H  
ATOM    497 HG13 VAL A  44      -7.000  -3.350  -0.092  1.00  1.28           H  
ATOM    498 HG21 VAL A  44      -8.394   0.069  -0.966  1.00  1.25           H  
ATOM    499 HG22 VAL A  44      -6.904   0.884  -0.500  1.00  1.20           H  
ATOM    500 HG23 VAL A  44      -6.917  -0.201  -1.887  1.00  1.20           H  
ATOM    501  N   GLU A  45      -6.327  -2.089   3.004  1.00  0.65           N  
ATOM    502  CA  GLU A  45      -5.920  -3.191   3.926  1.00  0.80           C  
ATOM    503  C   GLU A  45      -7.088  -3.574   4.841  1.00  0.73           C  
ATOM    504  O   GLU A  45      -7.493  -4.718   4.889  1.00  0.78           O  
ATOM    505  CB  GLU A  45      -4.739  -2.722   4.773  1.00  1.04           C  
ATOM    506  CG  GLU A  45      -4.113  -3.930   5.474  1.00  1.43           C  
ATOM    507  CD  GLU A  45      -3.287  -3.448   6.670  1.00  1.92           C  
ATOM    508  OE1 GLU A  45      -2.913  -2.287   6.635  1.00  2.42           O  
ATOM    509  OE2 GLU A  45      -3.077  -4.267   7.549  1.00  2.46           O  
ATOM    510  H   GLU A  45      -5.808  -1.259   2.967  1.00  0.72           H  
ATOM    511  HA  GLU A  45      -5.624  -4.049   3.346  1.00  0.87           H  
ATOM    512  HB2 GLU A  45      -4.003  -2.250   4.140  1.00  1.27           H  
ATOM    513  HB3 GLU A  45      -5.080  -2.012   5.511  1.00  1.33           H  
ATOM    514  HG2 GLU A  45      -4.889  -4.594   5.822  1.00  1.94           H  
ATOM    515  HG3 GLU A  45      -3.470  -4.460   4.787  1.00  1.84           H  
ATOM    516  N   LYS A  46      -7.604  -2.606   5.549  1.00  0.77           N  
ATOM    517  CA  LYS A  46      -8.745  -2.898   6.467  1.00  0.87           C  
ATOM    518  C   LYS A  46      -9.813  -3.722   5.742  1.00  0.76           C  
ATOM    519  O   LYS A  46     -10.489  -4.533   6.343  1.00  1.08           O  
ATOM    520  CB  LYS A  46      -9.353  -1.580   6.942  1.00  1.03           C  
ATOM    521  CG  LYS A  46      -8.855  -1.280   8.357  1.00  1.50           C  
ATOM    522  CD  LYS A  46      -9.361   0.099   8.784  1.00  1.93           C  
ATOM    523  CE  LYS A  46     -10.190  -0.045  10.062  1.00  2.63           C  
ATOM    524  NZ  LYS A  46      -9.339  -0.534  11.183  1.00  3.12           N  
ATOM    525  H   LYS A  46      -7.246  -1.697   5.478  1.00  0.85           H  
ATOM    526  HA  LYS A  46      -8.385  -3.450   7.318  1.00  1.02           H  
ATOM    527  HB2 LYS A  46      -9.057  -0.783   6.277  1.00  1.37           H  
ATOM    528  HB3 LYS A  46     -10.429  -1.658   6.945  1.00  1.35           H  
ATOM    529  HG2 LYS A  46      -9.225  -2.031   9.039  1.00  2.01           H  
ATOM    530  HG3 LYS A  46      -7.775  -1.291   8.371  1.00  2.03           H  
ATOM    531  HD2 LYS A  46      -8.520   0.752   8.969  1.00  2.15           H  
ATOM    532  HD3 LYS A  46      -9.971   0.521   8.001  1.00  2.37           H  
ATOM    533  HE2 LYS A  46     -10.609   0.914  10.330  1.00  3.05           H  
ATOM    534  HE3 LYS A  46     -10.993  -0.747   9.896  1.00  3.12           H  
ATOM    535  HZ1 LYS A  46      -8.823  -1.384  10.881  1.00  3.33           H  
ATOM    536  HZ2 LYS A  46      -8.661   0.207  11.453  1.00  3.46           H  
ATOM    537  HZ3 LYS A  46      -9.941  -0.765  11.999  1.00  3.50           H  
ATOM    538  N   HIS A  47      -9.943  -3.494   4.463  1.00  0.58           N  
ATOM    539  CA  HIS A  47     -10.964  -4.257   3.686  1.00  0.57           C  
ATOM    540  C   HIS A  47     -10.502  -5.702   3.486  1.00  0.65           C  
ATOM    541  O   HIS A  47     -11.292  -6.624   3.550  1.00  0.88           O  
ATOM    542  CB  HIS A  47     -11.153  -3.592   2.325  1.00  0.55           C  
ATOM    543  CG  HIS A  47     -12.505  -4.009   1.742  1.00  0.62           C  
ATOM    544  ND1 HIS A  47     -13.617  -3.571   2.122  1.00  0.75           N  
ATOM    545  CD2 HIS A  47     -12.793  -4.902   0.725  1.00  0.81           C  
ATOM    546  CE1 HIS A  47     -14.569  -4.090   1.458  1.00  0.93           C  
ATOM    547  NE2 HIS A  47     -14.136  -4.953   0.541  1.00  0.98           N  
ATOM    548  H   HIS A  47      -9.376  -2.830   4.019  1.00  0.77           H  
ATOM    549  HA  HIS A  47     -11.899  -4.250   4.219  1.00  0.69           H  
ATOM    550  HB2 HIS A  47     -11.128  -2.518   2.435  1.00  0.61           H  
ATOM    551  HB3 HIS A  47     -10.365  -3.900   1.653  1.00  0.67           H  
ATOM    552  HD1 HIS A  47     -13.737  -2.915   2.839  1.00  0.82           H  
ATOM    553  HD2 HIS A  47     -12.063  -5.468   0.166  1.00  0.93           H  
ATOM    554  HE1 HIS A  47     -15.612  -3.857   1.617  1.00  1.12           H  
ATOM    555  N   LEU A  48      -9.230  -5.870   3.249  1.00  0.65           N  
ATOM    556  CA  LEU A  48      -8.699  -7.248   3.041  1.00  0.83           C  
ATOM    557  C   LEU A  48      -8.801  -8.058   4.337  1.00  1.11           C  
ATOM    558  O   LEU A  48      -8.327  -9.174   4.413  1.00  1.50           O  
ATOM    559  CB  LEU A  48      -7.237  -7.161   2.609  1.00  0.75           C  
ATOM    560  CG  LEU A  48      -7.172  -7.020   1.086  1.00  0.80           C  
ATOM    561  CD1 LEU A  48      -5.885  -6.290   0.703  1.00  0.94           C  
ATOM    562  CD2 LEU A  48      -7.171  -8.412   0.451  1.00  1.05           C  
ATOM    563  H   LEU A  48      -8.629  -5.097   3.207  1.00  0.66           H  
ATOM    564  HA  LEU A  48      -9.269  -7.737   2.270  1.00  0.97           H  
ATOM    565  HB2 LEU A  48      -6.771  -6.305   3.074  1.00  0.79           H  
ATOM    566  HB3 LEU A  48      -6.715  -8.056   2.912  1.00  0.86           H  
ATOM    567  HG  LEU A  48      -8.027  -6.460   0.736  1.00  0.87           H  
ATOM    568 HD11 LEU A  48      -5.033  -6.823   1.098  1.00  1.46           H  
ATOM    569 HD12 LEU A  48      -5.804  -6.236  -0.373  1.00  1.33           H  
ATOM    570 HD13 LEU A  48      -5.898  -5.290   1.110  1.00  1.38           H  
ATOM    571 HD21 LEU A  48      -7.795  -9.076   1.028  1.00  1.44           H  
ATOM    572 HD22 LEU A  48      -7.553  -8.352  -0.558  1.00  1.47           H  
ATOM    573 HD23 LEU A  48      -6.164  -8.800   0.426  1.00  1.47           H  
TER     574      LEU A  48                                                      
MASTER      176    0    0    3    0    0    0    6  280    1    0    4          
END