HEADER    NEUROTOXIN                              20-JUL-96   1TXA              
TITLE     SOLUTION NMR STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE VENOM OF
TITLE    2 THE KING COBRA, MINIMIZED AVERAGE STRUCTURE                          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: TOXIN B;                                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: LONG NEUROTOXIN                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: OPHIOPHAGUS HANNAH;                             
SOURCE   3 ORGANISM_COMMON: KING COBRA;                                         
SOURCE   4 ORGANISM_TAXID: 8665                                                 
KEYWDS    VENOM, NEUROTOXIN, MULTIGENE FAMILY, TOXIN B                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    S.-S.PENG,T.K.S.KUMAR,G.JAYARAMAN,C.-C.CHANG,C.YU                     
REVDAT   4   29-NOV-17 1TXA    1       REMARK HELIX                             
REVDAT   3   24-FEB-09 1TXA    1       VERSN                                    
REVDAT   2   01-APR-03 1TXA    1       JRNL                                     
REVDAT   1   15-OCT-97 1TXA    0                                                
JRNL        AUTH   S.S.PENG,T.K.KUMAR,G.JAYARAMAN,C.C.CHANG,C.YU                
JRNL        TITL   SOLUTION STRUCTURE OF TOXIN B, A LONG NEUROTOXIN FROM THE    
JRNL        TITL 2 VENOM OF THE KING COBRA (OPHIOPHAGUS HANNAH).                
JRNL        REF    J.BIOL.CHEM.                  V. 272  7817 1997              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   9065446                                                      
JRNL        DOI    10.1074/JBC.272.12.7817                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR                                               
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1TXA 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_1000176876.                                   
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    HIS A  73   C     HIS A  73   O       2.282                       
REMARK 500    HIS A  73   C     HIS A  73   OXT     1.346                       
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    TYR A   4   CB  -  CA  -  C   ANGL. DEV. = -15.6 DEGREES          
REMARK 500    TYR A   4   CA  -  CB  -  CG  ANGL. DEV. =  16.4 DEGREES          
REMARK 500    TYR A   4   CB  -  CG  -  CD2 ANGL. DEV. = -12.2 DEGREES          
REMARK 500    TYR A   4   CB  -  CG  -  CD1 ANGL. DEV. =   6.5 DEGREES          
REMARK 500    TYR A   4   CG  -  CD1 -  CE1 ANGL. DEV. =  -6.1 DEGREES          
REMARK 500    ASP A   8   CA  -  C   -  N   ANGL. DEV. = -13.7 DEGREES          
REMARK 500    ALA A   9   N   -  CA  -  CB  ANGL. DEV. =  -8.9 DEGREES          
REMARK 500    SER A  11   N   -  CA  -  CB  ANGL. DEV. =  -9.9 DEGREES          
REMARK 500    GLY A  17   CA  -  C   -  N   ANGL. DEV. = -17.8 DEGREES          
REMARK 500    GLN A  18   CB  -  CG  -  CD  ANGL. DEV. =  16.6 DEGREES          
REMARK 500    THR A  25   CA  -  CB  -  CG2 ANGL. DEV. = -15.9 DEGREES          
REMARK 500    CYS A  27   CA  -  CB  -  SG  ANGL. DEV. =  12.8 DEGREES          
REMARK 500    ARG A  34   NH1 -  CZ  -  NH2 ANGL. DEV. =   6.8 DEGREES          
REMARK 500    ARG A  34   NE  -  CZ  -  NH2 ANGL. DEV. =  -5.9 DEGREES          
REMARK 500    LYS A  36   N   -  CA  -  CB  ANGL. DEV. = -11.1 DEGREES          
REMARK 500    ARG A  37   CB  -  CA  -  C   ANGL. DEV. =  12.6 DEGREES          
REMARK 500    ARG A  37   NE  -  CZ  -  NH2 ANGL. DEV. =  -7.3 DEGREES          
REMARK 500    ILE A  38   CB  -  CG1 -  CD1 ANGL. DEV. =  16.8 DEGREES          
REMARK 500    ALA A  43   CB  -  CA  -  C   ANGL. DEV. = -10.7 DEGREES          
REMARK 500    ALA A  43   N   -  CA  -  CB  ANGL. DEV. =  -8.7 DEGREES          
REMARK 500    ALA A  43   CA  -  C   -  N   ANGL. DEV. = -15.6 DEGREES          
REMARK 500    THR A  45   OG1 -  CB  -  CG2 ANGL. DEV. = -16.9 DEGREES          
REMARK 500    THR A  45   CA  -  CB  -  OG1 ANGL. DEV. =  18.5 DEGREES          
REMARK 500    LYS A  50   N   -  CA  -  CB  ANGL. DEV. =  12.5 DEGREES          
REMARK 500    LYS A  50   CD  -  CE  -  NZ  ANGL. DEV. = -25.5 DEGREES          
REMARK 500    CYS A  63   CA  -  C   -  N   ANGL. DEV. = -15.0 DEGREES          
REMARK 500    ASN A  64   C   -  N   -  CA  ANGL. DEV. =  18.6 DEGREES          
REMARK 500    ASN A  64   N   -  CA  -  CB  ANGL. DEV. = -15.2 DEGREES          
REMARK 500    ASN A  64   N   -  CA  -  C   ANGL. DEV. =  23.8 DEGREES          
REMARK 500    PHE A  66   C   -  N   -  CA  ANGL. DEV. =  15.6 DEGREES          
REMARK 500    PHE A  66   N   -  CA  -  CB  ANGL. DEV. =  32.4 DEGREES          
REMARK 500    PHE A  66   CB  -  CG  -  CD1 ANGL. DEV. =  -6.2 DEGREES          
REMARK 500    THR A  68   N   -  CA  -  CB  ANGL. DEV. =  14.0 DEGREES          
REMARK 500    THR A  68   CA  -  C   -  N   ANGL. DEV. = -18.2 DEGREES          
REMARK 500    TRP A  69   C   -  N   -  CA  ANGL. DEV. = -15.7 DEGREES          
REMARK 500    TRP A  69   CA  -  CB  -  CG  ANGL. DEV. = -16.7 DEGREES          
REMARK 500    TRP A  69   NE1 -  CE2 -  CZ2 ANGL. DEV. =   7.2 DEGREES          
REMARK 500    LYS A  70   N   -  CA  -  CB  ANGL. DEV. = -13.8 DEGREES          
REMARK 500    ARG A  71   CB  -  CA  -  C   ANGL. DEV. = -14.5 DEGREES          
REMARK 500    ARG A  71   N   -  CA  -  CB  ANGL. DEV. = -11.9 DEGREES          
REMARK 500    ARG A  71   CA  -  CB  -  CG  ANGL. DEV. = -14.2 DEGREES          
REMARK 500    ARG A  71   NE  -  CZ  -  NH2 ANGL. DEV. =  -6.0 DEGREES          
REMARK 500    LYS A  72   CD  -  CE  -  NZ  ANGL. DEV. = -13.8 DEGREES          
REMARK 500    LYS A  72   CA  -  C   -  N   ANGL. DEV. = -16.6 DEGREES          
REMARK 500    HIS A  73   CA  -  CB  -  CG  ANGL. DEV. = -10.3 DEGREES          
REMARK 500    HIS A  73   CE1 -  NE2 -  CD2 ANGL. DEV. =   4.3 DEGREES          
REMARK 500    HIS A  73   CA  -  C   -  O   ANGL. DEV. = -36.0 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    LYS A   2     -154.65   -152.31                                   
REMARK 500    CYS A   3     -119.72   -107.95                                   
REMARK 500    TYR A   4     -161.70    123.80                                   
REMARK 500    THR A   6      105.95    -30.20                                   
REMARK 500    ASP A   8      -53.08   -162.66                                   
REMARK 500    ALA A   9     -159.07   -115.05                                   
REMARK 500    CYS A  14       84.62     65.59                                   
REMARK 500    ASP A  16      -77.76     24.78                                   
REMARK 500    GLN A  18       -0.98   -177.64                                   
REMARK 500    ASP A  19     -122.67   -133.17                                   
REMARK 500    THR A  25     -131.52   -142.87                                   
REMARK 500    TRP A  26      -87.04   -136.33                                   
REMARK 500    SER A  32       35.27   -147.81                                   
REMARK 500    SER A  33       29.54    -76.18                                   
REMARK 500    ARG A  34        6.90   -151.22                                   
REMARK 500    LYS A  36     -149.30   -174.41                                   
REMARK 500    ARG A  37      -30.30    160.30                                   
REMARK 500    ALA A  43      177.96    -30.92                                   
REMARK 500    ALA A  44       29.43   -177.90                                   
REMARK 500    THR A  45      125.30    117.76                                   
REMARK 500    PRO A  47     -145.30    -85.44                                   
REMARK 500    LYS A  48       62.97   -150.75                                   
REMARK 500    PRO A  51      -97.66    -77.65                                   
REMARK 500    THR A  60     -139.42    124.92                                   
REMARK 500    ASP A  61      -91.84   -129.51                                   
REMARK 500    CYS A  63     -106.90     43.58                                   
REMARK 500    ASN A  64      106.26     -4.78                                   
REMARK 500    PHE A  66       72.68    -59.70                                   
REMARK 500    THR A  68      142.17     28.76                                   
REMARK 500    TRP A  69      -61.86   -131.58                                   
REMARK 500    LYS A  70      -12.60   -150.83                                   
REMARK 500    ARG A  71        1.68    171.45                                   
REMARK 500    LYS A  72       75.07     69.11                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 VAL A    5     THR A    6                 -146.52                    
REMARK 500 GLY A   17     GLN A   18                  -90.07                    
REMARK 500 GLN A   18     ASP A   19                 -130.58                    
REMARK 500 GLY A   35     LYS A   36                 -118.94                    
REMARK 500 ARG A   37     ILE A   38                 -110.80                    
REMARK 500 PRO A   65     PHE A   66                 -122.78                    
REMARK 500 THR A   68     TRP A   69                 -135.11                    
REMARK 500 ARG A   71     LYS A   72                 -139.63                    
REMARK 500 LYS A   72     HIS A   73                   88.40                    
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    TYR A   4         0.22    SIDE CHAIN                              
REMARK 500    ARG A  34         0.14    SIDE CHAIN                              
REMARK 500    ARG A  37         0.17    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    GLY A  17         10.45                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1TXB   RELATED DB: PDB                                   
DBREF  1TXA A    1    73  UNP    P01386   NXL2_OPHHA       1     73             
SEQRES   1 A   73  THR LYS CYS TYR VAL THR PRO ASP ALA THR SER GLN THR          
SEQRES   2 A   73  CYS PRO ASP GLY GLN ASP ILE CYS TYR THR LYS THR TRP          
SEQRES   3 A   73  CYS ASP GLY PHE CYS SER SER ARG GLY LYS ARG ILE ASP          
SEQRES   4 A   73  LEU GLY CYS ALA ALA THR CYS PRO LYS VAL LYS PRO GLY          
SEQRES   5 A   73  VAL ASP ILE LYS CYS CYS SER THR ASP ASN CYS ASN PRO          
SEQRES   6 A   73  PHE PRO THR TRP LYS ARG LYS HIS                              
HELIX    1   1 PHE A   30  ARG A   34  1NASCENT HELIX                      5    
SHEET    1   1 2 CYS A   3  TYR A   4  0                                        
SHEET    2   1 2 GLN A  12  THR A  13 -1                                        
SHEET    1   2 3 ILE A  38  ALA A  44  0                                        
SHEET    2   2 3 ILE A  20  THR A  25 -1                                        
SHEET    3   2 3 ASP A  54  SER A  59 -1                                        
SSBOND   1 CYS A    3    CYS A   21                          1555   1555  2.00  
SSBOND   2 CYS A   14    CYS A   42                          1555   1555  2.03  
SSBOND   3 CYS A   27    CYS A   31                          1555   1555  2.04  
SSBOND   4 CYS A   46    CYS A   57                          1555   1555  1.99  
SSBOND   5 CYS A   58    CYS A   63                          1555   1555  1.99  
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   THR A   1      11.853   3.353  -9.268  1.00  2.43           N  
ATOM      2  CA  THR A   1      10.592   4.031  -8.958  1.00  1.77           C  
ATOM      3  C   THR A   1       9.908   2.933  -8.255  1.00  1.63           C  
ATOM      4  O   THR A   1      10.483   1.864  -8.115  1.00  1.98           O  
ATOM      5  CB  THR A   1       9.766   4.652 -10.084  1.00  1.88           C  
ATOM      6  OG1 THR A   1       8.869   5.596  -9.491  1.00  2.82           O  
ATOM      7  CG2 THR A   1       9.170   3.525 -10.933  1.00  2.29           C  
ATOM      8  H1  THR A   1      11.589   2.353  -9.491  1.00  2.49           H  
ATOM      9  H2  THR A   1      12.413   3.739 -10.041  1.00  3.00           H  
ATOM     10  H3  THR A   1      12.406   3.223  -8.393  1.00  2.65           H  
ATOM     11  HA  THR A   1      10.689   4.806  -8.213  1.00  1.67           H  
ATOM     12  HB  THR A   1      10.473   5.231 -10.676  1.00  1.80           H  
ATOM     13  HG1 THR A   1       8.109   5.771 -10.035  1.00  3.17           H  
ATOM     14 HG21 THR A   1       8.186   3.417 -10.487  1.00  2.54           H  
ATOM     15 HG22 THR A   1       8.410   3.637 -11.701  1.00  2.24           H  
ATOM     16 HG23 THR A   1       9.635   3.711 -11.896  1.00  3.10           H  
ATOM     17  N   LYS A   2       8.726   3.232  -7.771  1.00  1.28           N  
ATOM     18  CA  LYS A   2       8.173   2.189  -6.959  1.00  1.23           C  
ATOM     19  C   LYS A   2       6.669   2.343  -7.071  1.00  1.06           C  
ATOM     20  O   LYS A   2       6.197   2.861  -8.070  1.00  1.30           O  
ATOM     21  CB  LYS A   2       8.886   2.341  -5.639  1.00  1.48           C  
ATOM     22  CG  LYS A   2       8.342   1.490  -4.507  1.00  2.07           C  
ATOM     23  CD  LYS A   2       7.456   2.365  -3.639  1.00  2.76           C  
ATOM     24  CE  LYS A   2       8.397   3.324  -2.994  1.00  3.53           C  
ATOM     25  NZ  LYS A   2       7.690   4.376  -2.341  1.00  4.44           N  
ATOM     26  H   LYS A   2       8.326   4.149  -7.814  1.00  1.19           H  
ATOM     27  HA  LYS A   2       8.440   1.239  -7.370  1.00  1.41           H  
ATOM     28  HB2 LYS A   2       9.960   2.160  -5.717  1.00  1.99           H  
ATOM     29  HB3 LYS A   2       8.830   3.405  -5.502  1.00  1.75           H  
ATOM     30  HG2 LYS A   2       7.873   0.602  -4.909  1.00  2.31           H  
ATOM     31  HG3 LYS A   2       9.168   1.119  -3.904  1.00  2.69           H  
ATOM     32  HD2 LYS A   2       6.791   2.997  -4.219  1.00  3.13           H  
ATOM     33  HD3 LYS A   2       6.852   1.817  -2.918  1.00  2.83           H  
ATOM     34  HE2 LYS A   2       9.161   2.870  -2.405  1.00  3.50           H  
ATOM     35  HE3 LYS A   2       9.014   3.801  -3.716  1.00  3.86           H  
ATOM     36  HZ1 LYS A   2       7.034   3.962  -1.657  1.00  4.76           H  
ATOM     37  HZ2 LYS A   2       8.440   4.943  -1.897  1.00  4.68           H  
ATOM     38  HZ3 LYS A   2       7.197   4.884  -3.107  1.00  4.84           H  
ATOM     39  N   CYS A   3       5.897   1.889  -6.083  1.00  0.95           N  
ATOM     40  CA  CYS A   3       4.475   2.150  -6.029  1.00  1.11           C  
ATOM     41  C   CYS A   3       4.252   3.149  -4.918  1.00  1.13           C  
ATOM     42  O   CYS A   3       4.800   4.239  -5.003  1.00  1.86           O  
ATOM     43  CB  CYS A   3       3.656   0.889  -5.876  1.00  1.31           C  
ATOM     44  SG  CYS A   3       3.803  -0.043  -4.373  1.00  1.10           S  
ATOM     45  H   CYS A   3       6.325   1.490  -5.277  1.00  0.99           H  
ATOM     46  HA  CYS A   3       4.188   2.571  -6.985  1.00  1.35           H  
ATOM     47  HB2 CYS A   3       2.603   1.057  -6.099  1.00  1.83           H  
ATOM     48  HB3 CYS A   3       4.098   0.264  -6.606  1.00  1.71           H  
ATOM     49  N   TYR A   4       3.438   2.690  -3.919  1.00  0.98           N  
ATOM     50  CA  TYR A   4       2.576   3.392  -2.986  1.00  1.03           C  
ATOM     51  C   TYR A   4       1.084   2.853  -3.095  1.00  0.96           C  
ATOM     52  O   TYR A   4       0.779   1.863  -3.743  1.00  1.37           O  
ATOM     53  CB  TYR A   4       2.264   4.737  -3.540  1.00  1.43           C  
ATOM     54  CG  TYR A   4       3.111   5.884  -3.696  1.00  2.11           C  
ATOM     55  CD1 TYR A   4       4.237   6.200  -2.970  1.00  3.04           C  
ATOM     56  CD2 TYR A   4       2.514   6.760  -4.566  1.00  2.72           C  
ATOM     57  CE1 TYR A   4       4.559   7.542  -2.939  1.00  4.12           C  
ATOM     58  CE2 TYR A   4       2.937   8.026  -4.683  1.00  3.84           C  
ATOM     59  CZ  TYR A   4       3.821   8.434  -3.715  1.00  4.44           C  
ATOM     60  OH  TYR A   4       3.882   9.767  -3.530  1.00  5.69           O  
ATOM     61  H   TYR A   4       3.219   1.722  -3.837  1.00  1.36           H  
ATOM     62  HA  TYR A   4       2.989   3.345  -1.978  1.00  1.19           H  
ATOM     63  HB2 TYR A   4       1.819   4.558  -4.517  1.00  1.93           H  
ATOM     64  HB3 TYR A   4       1.670   5.320  -2.846  1.00  1.83           H  
ATOM     65  HD1 TYR A   4       4.771   5.456  -2.399  1.00  3.32           H  
ATOM     66  HD2 TYR A   4       1.623   6.463  -5.076  1.00  2.78           H  
ATOM     67  HE1 TYR A   4       5.316   7.879  -2.252  1.00  4.96           H  
ATOM     68  HE2 TYR A   4       2.477   8.639  -5.449  1.00  4.51           H  
ATOM     69  HH  TYR A   4       3.027   9.961  -3.152  1.00  6.17           H  
ATOM     70  N   VAL A   5       0.174   3.722  -2.553  1.00  0.99           N  
ATOM     71  CA  VAL A   5      -1.244   3.873  -2.803  1.00  0.98           C  
ATOM     72  C   VAL A   5      -1.544   5.293  -3.328  1.00  1.41           C  
ATOM     73  O   VAL A   5      -2.117   5.401  -4.402  1.00  2.41           O  
ATOM     74  CB  VAL A   5      -2.078   3.530  -1.536  1.00  0.92           C  
ATOM     75  CG1 VAL A   5      -1.741   2.092  -1.138  1.00  1.37           C  
ATOM     76  CG2 VAL A   5      -1.869   4.474  -0.328  1.00  1.46           C  
ATOM     77  H   VAL A   5       0.474   4.540  -2.072  1.00  1.43           H  
ATOM     78  HA  VAL A   5      -1.489   3.192  -3.618  1.00  1.02           H  
ATOM     79  HB  VAL A   5      -3.130   3.595  -1.810  1.00  1.35           H  
ATOM     80 HG11 VAL A   5      -1.154   1.575  -1.902  1.00  1.58           H  
ATOM     81 HG12 VAL A   5      -1.114   2.106  -0.252  1.00  1.71           H  
ATOM     82 HG13 VAL A   5      -2.634   1.507  -0.940  1.00  2.13           H  
ATOM     83 HG21 VAL A   5      -1.061   5.090  -0.612  1.00  1.92           H  
ATOM     84 HG22 VAL A   5      -2.611   5.243  -0.129  1.00  2.14           H  
ATOM     85 HG23 VAL A   5      -1.561   3.988   0.601  1.00  1.80           H  
ATOM     86  N   THR A   6      -1.203   6.355  -2.512  1.00  0.95           N  
ATOM     87  CA  THR A   6      -1.973   7.598  -2.458  1.00  1.18           C  
ATOM     88  C   THR A   6      -2.611   7.855  -3.777  1.00  1.99           C  
ATOM     89  O   THR A   6      -1.928   8.122  -4.760  1.00  2.72           O  
ATOM     90  CB  THR A   6      -1.266   8.880  -2.036  1.00  1.77           C  
ATOM     91  OG1 THR A   6      -0.472   8.502  -0.921  1.00  1.86           O  
ATOM     92  CG2 THR A   6      -2.355   9.936  -1.690  1.00  2.38           C  
ATOM     93  H   THR A   6      -0.645   6.326  -1.686  1.00  1.15           H  
ATOM     94  HA  THR A   6      -2.692   7.387  -1.676  1.00  1.09           H  
ATOM     95  HB  THR A   6      -0.639   9.258  -2.861  1.00  2.30           H  
ATOM     96  HG1 THR A   6       0.052   9.255  -0.654  1.00  2.28           H  
ATOM     97 HG21 THR A   6      -3.311   9.463  -1.523  1.00  2.97           H  
ATOM     98 HG22 THR A   6      -2.190  10.484  -0.768  1.00  2.55           H  
ATOM     99 HG23 THR A   6      -2.544  10.635  -2.509  1.00  2.81           H  
ATOM    100  N   PRO A   7      -3.932   7.627  -3.793  1.00  2.42           N  
ATOM    101  CA  PRO A   7      -4.582   7.581  -5.060  1.00  3.45           C  
ATOM    102  C   PRO A   7      -4.748   9.056  -5.271  1.00  3.46           C  
ATOM    103  O   PRO A   7      -5.315   9.729  -4.426  1.00  3.78           O  
ATOM    104  CB  PRO A   7      -5.896   6.894  -4.728  1.00  4.13           C  
ATOM    105  CG  PRO A   7      -6.228   7.352  -3.300  1.00  3.67           C  
ATOM    106  CD  PRO A   7      -4.857   7.508  -2.654  1.00  2.52           C  
ATOM    107  HA  PRO A   7      -3.979   7.103  -5.838  1.00  3.91           H  
ATOM    108  HB2 PRO A   7      -6.657   7.124  -5.469  1.00  4.81           H  
ATOM    109  HB3 PRO A   7      -5.689   5.825  -4.721  1.00  4.46           H  
ATOM    110  HG2 PRO A   7      -6.719   8.328  -3.325  1.00  3.88           H  
ATOM    111  HG3 PRO A   7      -6.870   6.680  -2.740  1.00  4.17           H  
ATOM    112  HD2 PRO A   7      -4.879   8.414  -2.054  1.00  2.26           H  
ATOM    113  HD3 PRO A   7      -4.606   6.652  -2.034  1.00  2.39           H  
ATOM    114  N   ASP A   8      -4.159   9.537  -6.335  1.00  3.33           N  
ATOM    115  CA  ASP A   8      -4.411  10.959  -6.556  1.00  3.52           C  
ATOM    116  C   ASP A   8      -4.054  11.243  -7.972  1.00  2.65           C  
ATOM    117  O   ASP A   8      -4.755  11.755  -8.832  1.00  2.56           O  
ATOM    118  CB  ASP A   8      -3.507  11.813  -5.625  1.00  4.18           C  
ATOM    119  CG  ASP A   8      -4.346  12.972  -5.070  1.00  5.25           C  
ATOM    120  OD1 ASP A   8      -5.337  12.715  -4.377  1.00  5.97           O  
ATOM    121  OD2 ASP A   8      -4.009  14.129  -5.324  1.00  5.63           O  
ATOM    122  H   ASP A   8      -3.591   8.950  -6.921  1.00  3.31           H  
ATOM    123  HA  ASP A   8      -5.482  11.135  -6.452  1.00  4.03           H  
ATOM    124  HB2 ASP A   8      -3.089  11.232  -4.804  1.00  4.05           H  
ATOM    125  HB3 ASP A   8      -2.630  12.233  -6.131  1.00  4.41           H  
ATOM    126  N   ALA A   9      -2.833  10.781  -8.079  1.00  2.19           N  
ATOM    127  CA  ALA A   9      -2.064  10.751  -9.238  1.00  1.47           C  
ATOM    128  C   ALA A   9      -1.952   9.257  -9.401  1.00  1.15           C  
ATOM    129  O   ALA A   9      -2.703   8.470  -8.817  1.00  1.55           O  
ATOM    130  CB  ALA A   9      -0.814  11.529  -8.788  1.00  1.76           C  
ATOM    131  H   ALA A   9      -2.405  10.329  -7.300  1.00  2.46           H  
ATOM    132  HA  ALA A   9      -2.611  11.191 -10.071  1.00  1.46           H  
ATOM    133  HB1 ALA A   9      -0.676  11.481  -7.702  1.00  2.30           H  
ATOM    134  HB2 ALA A   9       0.120  11.223  -9.246  1.00  1.80           H  
ATOM    135  HB3 ALA A   9      -0.983  12.583  -9.006  1.00  2.09           H  
ATOM    136  N   THR A  10      -0.912   8.927 -10.166  1.00  1.16           N  
ATOM    137  CA  THR A  10      -0.557   7.538 -10.119  1.00  1.11           C  
ATOM    138  C   THR A  10       0.297   7.504  -8.894  1.00  1.69           C  
ATOM    139  O   THR A  10       0.537   8.498  -8.221  1.00  2.53           O  
ATOM    140  CB  THR A  10       0.257   7.054 -11.335  1.00  1.25           C  
ATOM    141  OG1 THR A  10       1.655   7.216 -11.182  1.00  1.96           O  
ATOM    142  CG2 THR A  10      -0.147   7.701 -12.652  1.00  1.98           C  
ATOM    143  H   THR A  10      -0.221   9.641 -10.162  1.00  1.77           H  
ATOM    144  HA  THR A  10      -1.442   6.910  -9.962  1.00  1.24           H  
ATOM    145  HB  THR A  10       0.087   5.975 -11.423  1.00  1.43           H  
ATOM    146  HG1 THR A  10       1.837   8.089 -10.845  1.00  2.29           H  
ATOM    147 HG21 THR A  10      -0.331   8.769 -12.557  1.00  2.63           H  
ATOM    148 HG22 THR A  10       0.658   7.572 -13.373  1.00  2.11           H  
ATOM    149 HG23 THR A  10      -1.045   7.230 -13.052  1.00  2.49           H  
ATOM    150  N   SER A  11       0.753   6.296  -8.700  1.00  1.80           N  
ATOM    151  CA  SER A  11       1.303   6.009  -7.439  1.00  2.60           C  
ATOM    152  C   SER A  11       2.475   5.111  -7.626  1.00  2.07           C  
ATOM    153  O   SER A  11       2.487   3.969  -7.185  1.00  1.82           O  
ATOM    154  CB  SER A  11       0.132   5.298  -6.777  1.00  3.66           C  
ATOM    155  OG  SER A  11      -1.037   6.094  -6.763  1.00  4.30           O  
ATOM    156  H   SER A  11       0.485   5.532  -9.280  1.00  1.68           H  
ATOM    157  HA  SER A  11       1.667   6.935  -6.992  1.00  3.08           H  
ATOM    158  HB2 SER A  11      -0.096   4.419  -7.383  1.00  3.88           H  
ATOM    159  HB3 SER A  11       0.335   4.922  -5.784  1.00  4.06           H  
ATOM    160  HG  SER A  11      -0.843   7.033  -6.739  1.00  4.34           H  
ATOM    161  N   GLN A  12       3.452   5.744  -8.283  1.00  2.08           N  
ATOM    162  CA  GLN A  12       4.703   5.070  -8.446  1.00  1.59           C  
ATOM    163  C   GLN A  12       5.830   6.077  -8.393  1.00  1.53           C  
ATOM    164  O   GLN A  12       6.199   6.699  -9.388  1.00  1.74           O  
ATOM    165  CB  GLN A  12       4.660   4.282  -9.759  1.00  1.48           C  
ATOM    166  CG  GLN A  12       3.993   5.078 -10.885  1.00  1.47           C  
ATOM    167  CD  GLN A  12       3.780   4.200 -12.093  1.00  1.62           C  
ATOM    168  OE1 GLN A  12       2.670   3.886 -12.487  1.00  1.68           O  
ATOM    169  NE2 GLN A  12       4.911   3.887 -12.705  1.00  2.48           N  
ATOM    170  H   GLN A  12       3.255   6.583  -8.789  1.00  2.46           H  
ATOM    171  HA  GLN A  12       4.818   4.451  -7.566  1.00  1.52           H  
ATOM    172  HB2 GLN A  12       5.663   3.965 -10.051  1.00  1.41           H  
ATOM    173  HB3 GLN A  12       4.092   3.367  -9.582  1.00  1.67           H  
ATOM    174  HG2 GLN A  12       3.002   5.417 -10.606  1.00  1.75           H  
ATOM    175  HG3 GLN A  12       4.586   5.949 -11.163  1.00  1.52           H  
ATOM    176 HE21 GLN A  12       5.778   4.192 -12.319  1.00  3.05           H  
ATOM    177 HE22 GLN A  12       4.862   3.318 -13.525  1.00  2.71           H  
ATOM    178  N   THR A  13       6.343   6.181  -7.172  1.00  1.43           N  
ATOM    179  CA  THR A  13       7.359   7.142  -6.844  1.00  1.53           C  
ATOM    180  C   THR A  13       8.182   6.542  -5.704  1.00  1.41           C  
ATOM    181  O   THR A  13       7.950   5.441  -5.210  1.00  1.82           O  
ATOM    182  CB  THR A  13       6.686   8.467  -6.401  1.00  1.95           C  
ATOM    183  OG1 THR A  13       5.304   8.261  -6.160  1.00  2.11           O  
ATOM    184  CG2 THR A  13       6.771   9.571  -7.455  1.00  2.21           C  
ATOM    185  H   THR A  13       5.981   5.612  -6.432  1.00  1.40           H  
ATOM    186  HA  THR A  13       8.011   7.263  -7.714  1.00  1.60           H  
ATOM    187  HB  THR A  13       7.180   8.844  -5.492  1.00  2.30           H  
ATOM    188  HG1 THR A  13       4.979   8.929  -5.556  1.00  2.63           H  
ATOM    189 HG21 THR A  13       7.311   9.254  -8.345  1.00  2.49           H  
ATOM    190 HG22 THR A  13       5.778   9.887  -7.778  1.00  2.03           H  
ATOM    191 HG23 THR A  13       7.274  10.442  -7.039  1.00  2.87           H  
ATOM    192  N   CYS A  14       9.123   7.414  -5.297  1.00  1.39           N  
ATOM    193  CA  CYS A  14      10.206   7.048  -4.417  1.00  1.30           C  
ATOM    194  C   CYS A  14      11.077   6.048  -5.191  1.00  1.35           C  
ATOM    195  O   CYS A  14      10.901   4.843  -5.103  1.00  1.12           O  
ATOM    196  CB  CYS A  14       9.698   6.509  -3.106  1.00  1.11           C  
ATOM    197  SG  CYS A  14      10.692   6.766  -1.660  1.00  1.32           S  
ATOM    198  H   CYS A  14       9.144   8.339  -5.671  1.00  1.74           H  
ATOM    199  HA  CYS A  14      10.728   7.967  -4.181  1.00  1.46           H  
ATOM    200  HB2 CYS A  14       8.690   6.863  -2.891  1.00  1.57           H  
ATOM    201  HB3 CYS A  14       9.662   5.453  -3.190  1.00  1.28           H  
ATOM    202  N   PRO A  15      11.986   6.622  -5.997  1.00  1.80           N  
ATOM    203  CA  PRO A  15      12.847   5.842  -6.848  1.00  2.06           C  
ATOM    204  C   PRO A  15      13.749   4.998  -6.037  1.00  2.14           C  
ATOM    205  O   PRO A  15      13.650   3.784  -6.106  1.00  2.63           O  
ATOM    206  CB  PRO A  15      13.560   6.840  -7.742  1.00  2.58           C  
ATOM    207  CG  PRO A  15      13.361   8.205  -7.073  1.00  2.66           C  
ATOM    208  CD  PRO A  15      12.234   8.048  -6.064  1.00  2.16           C  
ATOM    209  HA  PRO A  15      12.326   5.108  -7.418  1.00  1.95           H  
ATOM    210  HB2 PRO A  15      14.613   6.600  -7.902  1.00  2.82           H  
ATOM    211  HB3 PRO A  15      13.067   6.825  -8.712  1.00  2.69           H  
ATOM    212  HG2 PRO A  15      14.268   8.502  -6.543  1.00  2.85           H  
ATOM    213  HG3 PRO A  15      13.116   8.975  -7.799  1.00  2.93           H  
ATOM    214  HD2 PRO A  15      12.547   8.421  -5.086  1.00  2.16           H  
ATOM    215  HD3 PRO A  15      11.326   8.558  -6.382  1.00  2.17           H  
ATOM    216  N   ASP A  16      14.567   5.783  -5.309  1.00  2.22           N  
ATOM    217  CA  ASP A  16      15.683   5.452  -4.456  1.00  2.40           C  
ATOM    218  C   ASP A  16      16.247   4.182  -4.869  1.00  2.38           C  
ATOM    219  O   ASP A  16      17.220   4.066  -5.603  1.00  2.60           O  
ATOM    220  CB  ASP A  16      15.289   5.435  -2.965  1.00  2.74           C  
ATOM    221  CG  ASP A  16      16.134   6.532  -2.336  1.00  3.11           C  
ATOM    222  OD1 ASP A  16      17.335   6.314  -2.189  1.00  3.70           O  
ATOM    223  OD2 ASP A  16      15.614   7.608  -2.048  1.00  3.10           O  
ATOM    224  H   ASP A  16      14.516   6.775  -5.351  1.00  2.58           H  
ATOM    225  HA  ASP A  16      16.468   6.159  -4.719  1.00  2.58           H  
ATOM    226  HB2 ASP A  16      14.222   5.591  -2.823  1.00  2.71           H  
ATOM    227  HB3 ASP A  16      15.532   4.514  -2.420  1.00  2.96           H  
ATOM    228  N   GLY A  17      15.463   3.222  -4.412  1.00  2.75           N  
ATOM    229  CA  GLY A  17      15.852   1.934  -4.737  1.00  2.98           C  
ATOM    230  C   GLY A  17      15.149   1.270  -5.865  1.00  2.16           C  
ATOM    231  O   GLY A  17      15.347   1.448  -7.061  1.00  2.21           O  
ATOM    232  H   GLY A  17      14.634   3.394  -3.882  1.00  3.11           H  
ATOM    233  HA2 GLY A  17      16.721   2.026  -5.289  1.00  3.34           H  
ATOM    234  HA3 GLY A  17      16.062   1.403  -3.812  1.00  3.82           H  
ATOM    235  N   GLN A  18      14.733   0.214  -5.261  1.00  2.00           N  
ATOM    236  CA  GLN A  18      15.708  -0.904  -5.335  1.00  2.31           C  
ATOM    237  C   GLN A  18      15.080  -2.089  -4.646  1.00  1.91           C  
ATOM    238  O   GLN A  18      15.616  -3.177  -4.519  1.00  2.71           O  
ATOM    239  CB  GLN A  18      17.202  -0.633  -4.836  1.00  3.06           C  
ATOM    240  CG  GLN A  18      18.037   0.227  -5.843  1.00  3.93           C  
ATOM    241  CD  GLN A  18      19.487   0.066  -6.227  1.00  4.53           C  
ATOM    242  OE1 GLN A  18      20.312  -0.599  -5.622  1.00  4.80           O  
ATOM    243  NE2 GLN A  18      19.734   0.916  -7.244  1.00  4.99           N  
ATOM    244  H   GLN A  18      14.186   0.469  -4.457  1.00  2.22           H  
ATOM    245  HA  GLN A  18      15.713  -1.186  -6.379  1.00  2.83           H  
ATOM    246  HB2 GLN A  18      17.252  -0.203  -3.828  1.00  2.94           H  
ATOM    247  HB3 GLN A  18      17.697  -1.585  -4.683  1.00  3.52           H  
ATOM    248  HG2 GLN A  18      17.486   0.288  -6.779  1.00  4.55           H  
ATOM    249  HG3 GLN A  18      18.271   1.201  -5.433  1.00  3.92           H  
ATOM    250 HE21 GLN A  18      18.917   1.339  -7.643  1.00  5.00           H  
ATOM    251 HE22 GLN A  18      20.638   1.194  -7.555  1.00  5.41           H  
ATOM    252  N   ASP A  19      13.899  -1.726  -4.198  1.00  1.15           N  
ATOM    253  CA  ASP A  19      13.568  -2.009  -2.871  1.00  1.66           C  
ATOM    254  C   ASP A  19      12.233  -2.554  -3.158  1.00  1.31           C  
ATOM    255  O   ASP A  19      12.054  -3.492  -3.934  1.00  1.38           O  
ATOM    256  CB  ASP A  19      13.713  -0.660  -2.111  1.00  2.31           C  
ATOM    257  CG  ASP A  19      15.195  -0.398  -1.757  1.00  3.32           C  
ATOM    258  OD1 ASP A  19      15.999  -1.326  -1.730  1.00  3.71           O  
ATOM    259  OD2 ASP A  19      15.533   0.754  -1.523  1.00  4.06           O  
ATOM    260  H   ASP A  19      13.282  -1.086  -4.657  1.00  0.93           H  
ATOM    261  HA  ASP A  19      14.173  -2.820  -2.468  1.00  2.43           H  
ATOM    262  HB2 ASP A  19      13.361   0.182  -2.717  1.00  2.09           H  
ATOM    263  HB3 ASP A  19      13.151  -0.616  -1.182  1.00  2.76           H  
ATOM    264  N   ILE A  20      11.301  -1.920  -2.525  1.00  1.09           N  
ATOM    265  CA  ILE A  20      10.059  -2.589  -2.541  1.00  0.84           C  
ATOM    266  C   ILE A  20       9.067  -1.475  -2.361  1.00  0.82           C  
ATOM    267  O   ILE A  20       9.330  -0.311  -2.057  1.00  0.87           O  
ATOM    268  CB  ILE A  20       9.982  -3.852  -1.568  1.00  0.73           C  
ATOM    269  CG1 ILE A  20      10.150  -3.694  -0.072  1.00  1.53           C  
ATOM    270  CG2 ILE A  20      10.940  -5.024  -1.837  1.00  1.60           C  
ATOM    271  CD1 ILE A  20      11.188  -4.360   0.892  1.00  1.67           C  
ATOM    272  H   ILE A  20      11.474  -1.018  -2.125  1.00  1.19           H  
ATOM    273  HA  ILE A  20       9.869  -2.910  -3.573  1.00  0.90           H  
ATOM    274  HB  ILE A  20       8.957  -4.178  -1.709  1.00  1.22           H  
ATOM    275 HG12 ILE A  20      11.103  -3.326  -0.464  1.00  2.29           H  
ATOM    276 HG13 ILE A  20       9.605  -4.621   0.077  1.00  2.20           H  
ATOM    277 HG21 ILE A  20      11.991  -4.773  -1.976  1.00  2.21           H  
ATOM    278 HG22 ILE A  20      10.849  -5.858  -1.158  1.00  1.89           H  
ATOM    279 HG23 ILE A  20      10.581  -5.498  -2.643  1.00  2.27           H  
ATOM    280 HD11 ILE A  20      11.565  -5.332   0.581  1.00  2.47           H  
ATOM    281 HD12 ILE A  20      12.103  -3.782   1.095  1.00  1.72           H  
ATOM    282 HD13 ILE A  20      10.698  -4.519   1.845  1.00  1.76           H  
ATOM    283  N   CYS A  21       7.905  -1.974  -2.650  1.00  0.85           N  
ATOM    284  CA  CYS A  21       6.706  -1.333  -2.275  1.00  0.93           C  
ATOM    285  C   CYS A  21       6.335  -2.000  -1.001  1.00  1.05           C  
ATOM    286  O   CYS A  21       6.286  -3.221  -0.924  1.00  1.18           O  
ATOM    287  CB  CYS A  21       5.735  -1.734  -3.349  1.00  1.09           C  
ATOM    288  SG  CYS A  21       5.744  -0.462  -4.573  1.00  0.98           S  
ATOM    289  H   CYS A  21       7.880  -2.921  -2.962  1.00  0.83           H  
ATOM    290  HA  CYS A  21       6.850  -0.257  -2.140  1.00  0.92           H  
ATOM    291  HB2 CYS A  21       6.022  -2.669  -3.822  1.00  1.47           H  
ATOM    292  HB3 CYS A  21       4.727  -1.855  -2.961  1.00  1.26           H  
ATOM    293  N   TYR A  22       6.098  -1.161   0.004  1.00  1.08           N  
ATOM    294  CA  TYR A  22       5.502  -1.681   1.212  1.00  1.32           C  
ATOM    295  C   TYR A  22       4.298  -0.804   1.474  1.00  1.35           C  
ATOM    296  O   TYR A  22       4.374   0.414   1.331  1.00  1.49           O  
ATOM    297  CB  TYR A  22       6.570  -1.751   2.318  1.00  1.44           C  
ATOM    298  CG  TYR A  22       6.327  -0.910   3.540  1.00  1.33           C  
ATOM    299  CD1 TYR A  22       6.646   0.439   3.551  1.00  1.79           C  
ATOM    300  CD2 TYR A  22       5.793  -1.484   4.686  1.00  1.46           C  
ATOM    301  CE1 TYR A  22       6.436   1.209   4.695  1.00  1.73           C  
ATOM    302  CE2 TYR A  22       5.588  -0.723   5.828  1.00  1.52           C  
ATOM    303  CZ  TYR A  22       5.908   0.622   5.845  1.00  1.32           C  
ATOM    304  OH  TYR A  22       5.689   1.312   7.028  1.00  1.45           O  
ATOM    305  H   TYR A  22       6.330  -0.190  -0.112  1.00  1.03           H  
ATOM    306  HA  TYR A  22       5.123  -2.686   1.021  1.00  1.48           H  
ATOM    307  HB2 TYR A  22       6.594  -2.777   2.651  1.00  1.72           H  
ATOM    308  HB3 TYR A  22       7.564  -1.551   1.916  1.00  1.58           H  
ATOM    309  HD1 TYR A  22       7.073   0.875   2.660  1.00  2.45           H  
ATOM    310  HD2 TYR A  22       5.544  -2.534   4.689  1.00  1.94           H  
ATOM    311  HE1 TYR A  22       6.714   2.253   4.660  1.00  2.30           H  
ATOM    312  HE2 TYR A  22       5.179  -1.175   6.717  1.00  2.09           H  
ATOM    313  HH  TYR A  22       5.627   2.242   6.823  1.00  1.57           H  
ATOM    314  N   THR A  23       3.217  -1.493   1.831  1.00  1.20           N  
ATOM    315  CA  THR A  23       2.023  -0.853   2.324  1.00  1.18           C  
ATOM    316  C   THR A  23       1.704  -1.492   3.690  1.00  1.05           C  
ATOM    317  O   THR A  23       1.646  -2.704   3.807  1.00  1.09           O  
ATOM    318  CB  THR A  23       0.900  -1.008   1.269  1.00  1.34           C  
ATOM    319  OG1 THR A  23       1.172  -1.818   0.144  1.00  1.73           O  
ATOM    320  CG2 THR A  23       0.474   0.320   0.658  1.00  2.27           C  
ATOM    321  H   THR A  23       3.254  -2.492   1.775  1.00  1.08           H  
ATOM    322  HA  THR A  23       2.246   0.191   2.507  1.00  1.26           H  
ATOM    323  HB  THR A  23       0.043  -1.451   1.774  1.00  1.42           H  
ATOM    324  HG1 THR A  23       2.096  -1.700  -0.098  1.00  2.00           H  
ATOM    325 HG21 THR A  23       0.650   1.125   1.369  1.00  3.05           H  
ATOM    326 HG22 THR A  23       0.948   0.546  -0.296  1.00  2.46           H  
ATOM    327 HG23 THR A  23      -0.579   0.283   0.424  1.00  2.67           H  
ATOM    328  N   LYS A  24       1.540  -0.688   4.742  1.00  0.99           N  
ATOM    329  CA  LYS A  24       1.122  -1.279   6.005  1.00  0.91           C  
ATOM    330  C   LYS A  24      -0.067  -0.524   6.515  1.00  0.62           C  
ATOM    331  O   LYS A  24      -0.077   0.692   6.395  1.00  0.73           O  
ATOM    332  CB  LYS A  24       2.245  -1.169   7.028  1.00  1.25           C  
ATOM    333  CG  LYS A  24       1.800  -1.614   8.432  1.00  1.12           C  
ATOM    334  CD  LYS A  24       1.114  -0.567   9.322  1.00  1.27           C  
ATOM    335  CE  LYS A  24       1.955   0.653   9.667  1.00  1.55           C  
ATOM    336  NZ  LYS A  24       2.355   0.535  11.058  1.00  1.67           N  
ATOM    337  H   LYS A  24       1.591   0.314   4.690  1.00  1.03           H  
ATOM    338  HA  LYS A  24       0.825  -2.305   5.855  1.00  1.01           H  
ATOM    339  HB2 LYS A  24       3.029  -1.832   6.680  1.00  1.60           H  
ATOM    340  HB3 LYS A  24       2.677  -0.169   7.018  1.00  1.66           H  
ATOM    341  HG2 LYS A  24       1.051  -2.391   8.296  1.00  1.20           H  
ATOM    342  HG3 LYS A  24       2.650  -2.065   8.944  1.00  1.45           H  
ATOM    343  HD2 LYS A  24       0.197  -0.175   8.907  1.00  1.44           H  
ATOM    344  HD3 LYS A  24       0.749  -1.082  10.213  1.00  1.98           H  
ATOM    345  HE2 LYS A  24       2.834   0.772   9.028  1.00  1.95           H  
ATOM    346  HE3 LYS A  24       1.359   1.566   9.566  1.00  2.03           H  
ATOM    347  HZ1 LYS A  24       2.800  -0.389  11.233  1.00  1.49           H  
ATOM    348  HZ2 LYS A  24       3.004   1.309  11.298  1.00  2.08           H  
ATOM    349  HZ3 LYS A  24       1.484   0.627  11.623  1.00  2.07           H  
ATOM    350  N   THR A  25      -1.045  -1.232   7.139  1.00  0.54           N  
ATOM    351  CA  THR A  25      -2.184  -0.535   7.682  1.00  0.67           C  
ATOM    352  C   THR A  25      -2.745  -1.008   8.934  1.00  0.73           C  
ATOM    353  O   THR A  25      -2.079  -1.061   9.929  1.00  0.73           O  
ATOM    354  CB  THR A  25      -3.243  -0.422   6.612  1.00  1.01           C  
ATOM    355  OG1 THR A  25      -3.295  -1.518   5.708  1.00  1.56           O  
ATOM    356  CG2 THR A  25      -2.661   0.688   5.926  1.00  2.11           C  
ATOM    357  H   THR A  25      -1.120  -2.211   7.007  1.00  0.56           H  
ATOM    358  HA  THR A  25      -1.801   0.411   8.077  1.00  0.99           H  
ATOM    359  HB  THR A  25      -4.227  -0.016   6.877  1.00  1.15           H  
ATOM    360  HG1 THR A  25      -4.124  -2.005   5.744  1.00  1.54           H  
ATOM    361 HG21 THR A  25      -2.228   1.475   6.548  1.00  2.40           H  
ATOM    362 HG22 THR A  25      -1.932   0.327   5.250  1.00  2.58           H  
ATOM    363 HG23 THR A  25      -3.468   1.122   5.447  1.00  2.76           H  
ATOM    364  N   TRP A  26      -4.037  -1.144   8.890  1.00  1.01           N  
ATOM    365  CA  TRP A  26      -4.852  -1.200  10.012  1.00  1.20           C  
ATOM    366  C   TRP A  26      -5.745  -2.314   9.628  1.00  1.01           C  
ATOM    367  O   TRP A  26      -5.474  -3.473   9.890  1.00  1.37           O  
ATOM    368  CB  TRP A  26      -5.472   0.206  10.070  1.00  1.43           C  
ATOM    369  CG  TRP A  26      -5.002   0.706  11.386  1.00  1.56           C  
ATOM    370  CD1 TRP A  26      -3.693   0.948  11.806  1.00  2.15           C  
ATOM    371  CD2 TRP A  26      -5.863   0.897  12.495  1.00  1.96           C  
ATOM    372  NE1 TRP A  26      -3.725   1.273  13.122  1.00  2.50           N  
ATOM    373  CE2 TRP A  26      -5.044   1.256  13.581  1.00  2.44           C  
ATOM    374  CE3 TRP A  26      -7.214   0.763  12.612  1.00  2.51           C  
ATOM    375  CZ2 TRP A  26      -5.633   1.487  14.789  1.00  3.18           C  
ATOM    376  CZ3 TRP A  26      -7.815   0.994  13.836  1.00  3.40           C  
ATOM    377  CH2 TRP A  26      -7.023   1.362  14.927  1.00  3.64           C  
ATOM    378  H   TRP A  26      -4.580  -1.046   8.062  1.00  1.11           H  
ATOM    379  HA  TRP A  26      -4.271  -1.521  10.879  1.00  1.52           H  
ATOM    380  HB2 TRP A  26      -5.168   0.887   9.272  1.00  1.73           H  
ATOM    381  HB3 TRP A  26      -6.562   0.206  10.049  1.00  1.81           H  
ATOM    382  HD1 TRP A  26      -2.805   0.837  11.196  1.00  2.64           H  
ATOM    383  HE1 TRP A  26      -2.927   1.411  13.674  1.00  3.02           H  
ATOM    384  HE3 TRP A  26      -7.810   0.448  11.765  1.00  2.52           H  
ATOM    385  HZ2 TRP A  26      -5.008   1.752  15.629  1.00  3.61           H  
ATOM    386  HZ3 TRP A  26      -8.884   0.857  13.906  1.00  4.05           H  
ATOM    387  HH2 TRP A  26      -7.491   1.543  15.879  1.00  4.37           H  
ATOM    388  N   CYS A  27      -6.774  -1.872   8.927  1.00  0.75           N  
ATOM    389  CA  CYS A  27      -7.774  -2.812   8.591  1.00  0.93           C  
ATOM    390  C   CYS A  27      -7.613  -3.107   7.130  1.00  0.84           C  
ATOM    391  O   CYS A  27      -7.174  -2.274   6.326  1.00  0.95           O  
ATOM    392  CB  CYS A  27      -9.149  -2.184   8.690  1.00  1.51           C  
ATOM    393  SG  CYS A  27      -9.690  -0.962   9.875  1.00  1.17           S  
ATOM    394  H   CYS A  27      -6.791  -0.991   8.460  1.00  0.80           H  
ATOM    395  HA  CYS A  27      -7.673  -3.724   9.182  1.00  1.24           H  
ATOM    396  HB2 CYS A  27      -9.279  -1.631   7.761  1.00  2.22           H  
ATOM    397  HB3 CYS A  27      -9.881  -2.988   8.703  1.00  2.23           H  
ATOM    398  N   ASP A  28      -8.179  -4.271   6.881  1.00  1.14           N  
ATOM    399  CA  ASP A  28      -8.350  -4.652   5.527  1.00  1.45           C  
ATOM    400  C   ASP A  28      -9.503  -5.612   5.458  1.00  1.48           C  
ATOM    401  O   ASP A  28      -9.398  -6.823   5.555  1.00  1.92           O  
ATOM    402  CB  ASP A  28      -7.083  -5.301   5.003  1.00  2.20           C  
ATOM    403  CG  ASP A  28      -7.224  -5.188   3.473  1.00  2.87           C  
ATOM    404  OD1 ASP A  28      -7.081  -4.068   2.961  1.00  3.21           O  
ATOM    405  OD2 ASP A  28      -7.573  -6.165   2.809  1.00  3.45           O  
ATOM    406  H   ASP A  28      -8.487  -4.893   7.594  1.00  1.41           H  
ATOM    407  HA  ASP A  28      -8.622  -3.753   4.963  1.00  1.89           H  
ATOM    408  HB2 ASP A  28      -6.198  -4.784   5.375  1.00  2.43           H  
ATOM    409  HB3 ASP A  28      -7.007  -6.333   5.364  1.00  2.57           H  
ATOM    410  N   GLY A  29     -10.655  -4.982   5.237  1.00  1.56           N  
ATOM    411  CA  GLY A  29     -11.594  -5.807   4.515  1.00  2.08           C  
ATOM    412  C   GLY A  29     -12.949  -5.197   4.536  1.00  2.01           C  
ATOM    413  O   GLY A  29     -13.617  -5.138   3.514  1.00  2.25           O  
ATOM    414  H   GLY A  29     -10.679  -4.011   5.452  1.00  1.54           H  
ATOM    415  HA2 GLY A  29     -11.233  -5.846   3.487  1.00  2.56           H  
ATOM    416  HA3 GLY A  29     -11.645  -6.813   4.937  1.00  2.40           H  
ATOM    417  N   PHE A  30     -13.290  -4.681   5.725  1.00  1.76           N  
ATOM    418  CA  PHE A  30     -14.680  -4.277   5.908  1.00  1.75           C  
ATOM    419  C   PHE A  30     -14.826  -2.957   6.654  1.00  1.37           C  
ATOM    420  O   PHE A  30     -15.924  -2.431   6.791  1.00  1.32           O  
ATOM    421  CB  PHE A  30     -15.404  -5.423   6.622  1.00  2.16           C  
ATOM    422  CG  PHE A  30     -14.712  -5.894   7.882  1.00  2.35           C  
ATOM    423  CD1 PHE A  30     -14.379  -5.029   8.929  1.00  2.41           C  
ATOM    424  CD2 PHE A  30     -14.382  -7.238   8.008  1.00  2.97           C  
ATOM    425  CE1 PHE A  30     -13.694  -5.486  10.043  1.00  2.76           C  
ATOM    426  CE2 PHE A  30     -13.722  -7.704   9.135  1.00  3.38           C  
ATOM    427  CZ  PHE A  30     -13.368  -6.827  10.149  1.00  3.15           C  
ATOM    428  H   PHE A  30     -12.692  -4.834   6.523  1.00  1.73           H  
ATOM    429  HA  PHE A  30     -15.136  -4.094   4.936  1.00  1.84           H  
ATOM    430  HB2 PHE A  30     -16.443  -5.176   6.830  1.00  2.09           H  
ATOM    431  HB3 PHE A  30     -15.425  -6.259   5.920  1.00  2.55           H  
ATOM    432  HD1 PHE A  30     -14.648  -3.989   8.929  1.00  2.57           H  
ATOM    433  HD2 PHE A  30     -14.638  -7.944   7.228  1.00  3.38           H  
ATOM    434  HE1 PHE A  30     -13.402  -4.806  10.830  1.00  3.03           H  
ATOM    435  HE2 PHE A  30     -13.480  -8.753   9.217  1.00  4.05           H  
ATOM    436  HZ  PHE A  30     -12.837  -7.189  11.017  1.00  3.55           H  
ATOM    437  N   CYS A  31     -13.686  -2.439   7.134  1.00  1.27           N  
ATOM    438  CA  CYS A  31     -13.810  -1.308   8.047  1.00  1.15           C  
ATOM    439  C   CYS A  31     -13.765  -0.023   7.226  1.00  1.26           C  
ATOM    440  O   CYS A  31     -14.533   0.919   7.391  1.00  1.38           O  
ATOM    441  CB  CYS A  31     -12.713  -1.370   9.116  1.00  1.26           C  
ATOM    442  SG  CYS A  31     -11.199  -0.590   8.561  1.00  1.69           S  
ATOM    443  H   CYS A  31     -12.823  -2.901   6.960  1.00  1.37           H  
ATOM    444  HA  CYS A  31     -14.778  -1.352   8.546  1.00  1.14           H  
ATOM    445  HB2 CYS A  31     -13.020  -0.804   9.991  1.00  1.15           H  
ATOM    446  HB3 CYS A  31     -12.535  -2.399   9.434  1.00  1.40           H  
ATOM    447  N   SER A  32     -12.819  -0.042   6.277  1.00  1.47           N  
ATOM    448  CA  SER A  32     -12.624   1.163   5.514  1.00  1.72           C  
ATOM    449  C   SER A  32     -12.195   0.778   4.112  1.00  2.11           C  
ATOM    450  O   SER A  32     -11.395   1.469   3.476  1.00  2.62           O  
ATOM    451  CB  SER A  32     -11.565   2.060   6.158  1.00  1.54           C  
ATOM    452  OG  SER A  32     -11.114   1.831   7.484  1.00  1.90           O  
ATOM    453  H   SER A  32     -12.196  -0.820   6.216  1.00  1.52           H  
ATOM    454  HA  SER A  32     -13.564   1.709   5.427  1.00  1.86           H  
ATOM    455  HB2 SER A  32     -10.735   2.084   5.492  1.00  1.61           H  
ATOM    456  HB3 SER A  32     -11.911   3.085   6.135  1.00  1.63           H  
ATOM    457  HG  SER A  32     -10.700   0.972   7.602  1.00  2.13           H  
ATOM    458  N   SER A  33     -12.768  -0.352   3.650  1.00  2.07           N  
ATOM    459  CA  SER A  33     -12.161  -1.161   2.597  1.00  2.51           C  
ATOM    460  C   SER A  33     -12.322  -0.562   1.227  1.00  2.65           C  
ATOM    461  O   SER A  33     -12.537  -1.245   0.236  1.00  3.23           O  
ATOM    462  CB  SER A  33     -12.979  -2.442   2.506  1.00  2.96           C  
ATOM    463  OG  SER A  33     -14.305  -2.077   2.112  1.00  3.84           O  
ATOM    464  H   SER A  33     -13.503  -0.768   4.196  1.00  1.94           H  
ATOM    465  HA  SER A  33     -11.100  -1.281   2.818  1.00  2.93           H  
ATOM    466  HB2 SER A  33     -12.519  -3.169   1.817  1.00  2.58           H  
ATOM    467  HB3 SER A  33     -13.023  -2.911   3.481  1.00  3.56           H  
ATOM    468  HG  SER A  33     -14.294  -1.878   1.182  1.00  4.34           H  
ATOM    469  N   ARG A  34     -12.387   0.748   1.245  1.00  2.54           N  
ATOM    470  CA  ARG A  34     -12.827   1.441   0.121  1.00  3.18           C  
ATOM    471  C   ARG A  34     -12.217   2.810   0.039  1.00  3.29           C  
ATOM    472  O   ARG A  34     -12.673   3.655  -0.718  1.00  4.09           O  
ATOM    473  CB  ARG A  34     -14.251   1.751   0.446  1.00  3.85           C  
ATOM    474  CG  ARG A  34     -15.166   0.897  -0.366  1.00  3.68           C  
ATOM    475  CD  ARG A  34     -15.890   1.879  -1.275  1.00  3.80           C  
ATOM    476  NE  ARG A  34     -17.114   2.075  -0.575  1.00  3.86           N  
ATOM    477  CZ  ARG A  34     -18.180   1.389  -0.950  1.00  4.39           C  
ATOM    478  NH1 ARG A  34     -18.022   0.195  -1.536  1.00  4.85           N  
ATOM    479  NH2 ARG A  34     -19.328   1.994  -0.713  1.00  4.76           N  
ATOM    480  H   ARG A  34     -12.463   1.301   2.063  1.00  2.38           H  
ATOM    481  HA  ARG A  34     -12.630   0.763  -0.702  1.00  3.47           H  
ATOM    482  HB2 ARG A  34     -14.439   1.644   1.505  1.00  3.90           H  
ATOM    483  HB3 ARG A  34     -14.490   2.812   0.344  1.00  4.81           H  
ATOM    484  HG2 ARG A  34     -14.716   0.033  -0.853  1.00  3.78           H  
ATOM    485  HG3 ARG A  34     -15.818   0.413   0.357  1.00  3.97           H  
ATOM    486  HD2 ARG A  34     -15.480   2.894  -1.335  1.00  3.82           H  
ATOM    487  HD3 ARG A  34     -16.050   1.575  -2.307  1.00  4.36           H  
ATOM    488  HE  ARG A  34     -17.099   2.592   0.283  1.00  3.75           H  
ATOM    489 HH11 ARG A  34     -17.101  -0.220  -1.560  1.00  4.85           H  
ATOM    490 HH12 ARG A  34     -18.778  -0.335  -1.918  1.00  5.40           H  
ATOM    491 HH21 ARG A  34     -19.295   2.907  -0.298  1.00  4.71           H  
ATOM    492 HH22 ARG A  34     -20.223   1.611  -0.931  1.00  5.29           H  
ATOM    493  N   GLY A  35     -11.309   2.975   0.959  1.00  2.64           N  
ATOM    494  CA  GLY A  35     -10.589   4.182   0.788  1.00  2.84           C  
ATOM    495  C   GLY A  35      -9.327   3.626   0.218  1.00  1.87           C  
ATOM    496  O   GLY A  35      -8.898   3.826  -0.898  1.00  1.41           O  
ATOM    497  H   GLY A  35     -10.842   2.166   1.328  1.00  2.19           H  
ATOM    498  HA2 GLY A  35     -11.022   4.918   0.107  1.00  3.41           H  
ATOM    499  HA3 GLY A  35     -10.511   4.593   1.792  1.00  3.39           H  
ATOM    500  N   LYS A  36      -8.740   2.981   1.198  1.00  1.64           N  
ATOM    501  CA  LYS A  36      -7.454   3.468   1.564  1.00  1.11           C  
ATOM    502  C   LYS A  36      -7.069   2.433   2.564  1.00  1.01           C  
ATOM    503  O   LYS A  36      -7.631   1.353   2.549  1.00  1.36           O  
ATOM    504  CB  LYS A  36      -7.861   4.789   2.223  1.00  1.78           C  
ATOM    505  CG  LYS A  36      -6.867   5.740   2.825  1.00  1.63           C  
ATOM    506  CD  LYS A  36      -7.718   6.689   3.637  1.00  2.40           C  
ATOM    507  CE  LYS A  36      -6.972   7.962   3.834  1.00  3.18           C  
ATOM    508  NZ  LYS A  36      -8.044   8.923   3.771  1.00  3.74           N  
ATOM    509  H   LYS A  36      -9.238   2.588   1.976  1.00  1.99           H  
ATOM    510  HA  LYS A  36      -6.803   3.506   0.688  1.00  0.94           H  
ATOM    511  HB2 LYS A  36      -8.308   5.420   1.452  1.00  2.47           H  
ATOM    512  HB3 LYS A  36      -8.657   4.578   2.943  1.00  2.52           H  
ATOM    513  HG2 LYS A  36      -6.039   5.378   3.420  1.00  1.43           H  
ATOM    514  HG3 LYS A  36      -6.408   6.259   1.982  1.00  2.28           H  
ATOM    515  HD2 LYS A  36      -8.679   6.809   3.126  1.00  2.51           H  
ATOM    516  HD3 LYS A  36      -8.028   6.379   4.618  1.00  3.07           H  
ATOM    517  HE2 LYS A  36      -6.469   7.980   4.804  1.00  3.30           H  
ATOM    518  HE3 LYS A  36      -6.247   8.144   3.036  1.00  3.77           H  
ATOM    519  HZ1 LYS A  36      -8.916   8.383   3.614  1.00  3.43           H  
ATOM    520  HZ2 LYS A  36      -8.118   9.437   4.670  1.00  4.38           H  
ATOM    521  HZ3 LYS A  36      -7.868   9.540   2.954  1.00  4.14           H  
ATOM    522  N   ARG A  37      -6.277   2.936   3.505  1.00  1.07           N  
ATOM    523  CA  ARG A  37      -5.831   2.368   4.771  1.00  1.40           C  
ATOM    524  C   ARG A  37      -4.610   3.058   5.274  1.00  1.18           C  
ATOM    525  O   ARG A  37      -4.339   3.088   6.468  1.00  1.32           O  
ATOM    526  CB  ARG A  37      -6.155   0.862   5.088  1.00  2.50           C  
ATOM    527  CG  ARG A  37      -7.128   0.852   6.254  1.00  3.53           C  
ATOM    528  CD  ARG A  37      -8.482   1.078   5.562  1.00  4.40           C  
ATOM    529  NE  ARG A  37      -8.599   2.498   5.294  1.00  5.23           N  
ATOM    530  CZ  ARG A  37      -8.519   3.400   6.273  1.00  5.93           C  
ATOM    531  NH1 ARG A  37      -8.942   3.139   7.490  1.00  6.50           N  
ATOM    532  NH2 ARG A  37      -7.905   4.503   5.905  1.00  6.32           N  
ATOM    533  H   ARG A  37      -5.841   3.794   3.286  1.00  1.25           H  
ATOM    534  HA  ARG A  37      -6.344   2.961   5.452  1.00  1.56           H  
ATOM    535  HB2 ARG A  37      -6.587   0.404   4.208  1.00  2.99           H  
ATOM    536  HB3 ARG A  37      -5.405   0.096   5.211  1.00  2.54           H  
ATOM    537  HG2 ARG A  37      -7.074   0.068   7.005  1.00  3.69           H  
ATOM    538  HG3 ARG A  37      -6.808   1.671   6.897  1.00  3.94           H  
ATOM    539  HD2 ARG A  37      -8.493   0.706   4.546  1.00  4.69           H  
ATOM    540  HD3 ARG A  37      -9.352   0.539   5.894  1.00  4.51           H  
ATOM    541  HE  ARG A  37      -8.217   2.721   4.407  1.00  5.40           H  
ATOM    542 HH11 ARG A  37      -9.935   3.023   7.613  1.00  7.15           H  
ATOM    543 HH12 ARG A  37      -8.346   2.970   8.273  1.00  6.43           H  
ATOM    544 HH21 ARG A  37      -8.357   5.036   5.203  1.00  7.02           H  
ATOM    545 HH22 ARG A  37      -6.983   4.743   6.221  1.00  6.07           H  
ATOM    546  N   ILE A  38      -3.881   3.506   4.243  1.00  1.55           N  
ATOM    547  CA  ILE A  38      -2.630   2.835   4.032  1.00  1.99           C  
ATOM    548  C   ILE A  38      -1.617   3.858   3.716  1.00  1.81           C  
ATOM    549  O   ILE A  38      -1.842   4.874   3.062  1.00  1.93           O  
ATOM    550  CB  ILE A  38      -2.705   1.634   2.979  1.00  2.94           C  
ATOM    551  CG1 ILE A  38      -3.955   0.769   3.107  1.00  3.89           C  
ATOM    552  CG2 ILE A  38      -1.599   0.583   2.982  1.00  3.20           C  
ATOM    553  CD1 ILE A  38      -4.619  -0.154   2.116  1.00  4.38           C  
ATOM    554  H   ILE A  38      -4.202   3.876   3.388  1.00  1.85           H  
ATOM    555  HA  ILE A  38      -2.324   2.645   5.042  1.00  2.07           H  
ATOM    556  HB  ILE A  38      -2.727   2.134   2.015  1.00  3.13           H  
ATOM    557 HG12 ILE A  38      -3.922   0.135   3.970  1.00  4.25           H  
ATOM    558 HG13 ILE A  38      -4.654   1.523   3.104  1.00  4.30           H  
ATOM    559 HG21 ILE A  38      -0.644   0.933   3.323  1.00  3.62           H  
ATOM    560 HG22 ILE A  38      -1.804  -0.337   3.521  1.00  3.75           H  
ATOM    561 HG23 ILE A  38      -1.579   0.140   2.015  1.00  2.95           H  
ATOM    562 HD11 ILE A  38      -3.965  -0.529   1.344  1.00  4.45           H  
ATOM    563 HD12 ILE A  38      -5.027  -1.002   2.683  1.00  4.45           H  
ATOM    564 HD13 ILE A  38      -5.505   0.320   1.694  1.00  4.98           H  
ATOM    565  N   ASP A  39      -0.551   3.491   4.410  1.00  1.50           N  
ATOM    566  CA  ASP A  39       0.679   4.127   4.495  1.00  1.45           C  
ATOM    567  C   ASP A  39       1.524   3.039   3.906  1.00  1.40           C  
ATOM    568  O   ASP A  39       1.181   1.877   3.799  1.00  1.79           O  
ATOM    569  CB  ASP A  39       0.959   4.546   5.947  1.00  1.59           C  
ATOM    570  CG  ASP A  39       1.892   3.679   6.830  1.00  1.75           C  
ATOM    571  OD1 ASP A  39       1.887   2.447   6.800  1.00  2.04           O  
ATOM    572  OD2 ASP A  39       2.632   4.298   7.587  1.00  2.30           O  
ATOM    573  H   ASP A  39      -0.497   2.572   4.820  1.00  1.38           H  
ATOM    574  HA  ASP A  39       0.618   4.993   3.829  1.00  1.55           H  
ATOM    575  HB2 ASP A  39       1.437   5.518   5.868  1.00  1.71           H  
ATOM    576  HB3 ASP A  39       0.015   4.706   6.469  1.00  1.82           H  
ATOM    577  N   LEU A  40       2.535   3.588   3.351  1.00  1.42           N  
ATOM    578  CA  LEU A  40       3.270   2.917   2.350  1.00  1.49           C  
ATOM    579  C   LEU A  40       4.541   3.638   2.496  1.00  1.43           C  
ATOM    580  O   LEU A  40       4.619   4.714   3.081  1.00  1.84           O  
ATOM    581  CB  LEU A  40       2.729   3.188   0.930  1.00  2.02           C  
ATOM    582  CG  LEU A  40       2.284   4.664   0.835  1.00  2.79           C  
ATOM    583  CD1 LEU A  40       3.374   5.585   0.373  1.00  3.50           C  
ATOM    584  CD2 LEU A  40       1.027   4.900   0.092  1.00  3.33           C  
ATOM    585  H   LEU A  40       2.731   4.554   3.515  1.00  1.66           H  
ATOM    586  HA  LEU A  40       3.384   1.881   2.650  1.00  1.52           H  
ATOM    587  HB2 LEU A  40       3.484   2.945   0.176  1.00  2.32           H  
ATOM    588  HB3 LEU A  40       1.925   2.508   0.670  1.00  2.14           H  
ATOM    589  HG  LEU A  40       1.972   5.045   1.794  1.00  3.14           H  
ATOM    590 HD11 LEU A  40       3.493   5.298  -0.664  1.00  3.88           H  
ATOM    591 HD12 LEU A  40       3.173   6.478   0.966  1.00  4.02           H  
ATOM    592 HD13 LEU A  40       3.112   6.438  -0.251  1.00  3.67           H  
ATOM    593 HD21 LEU A  40       0.621   3.944  -0.223  1.00  3.58           H  
ATOM    594 HD22 LEU A  40       0.313   5.377   0.771  1.00  3.87           H  
ATOM    595 HD23 LEU A  40       1.139   5.588  -0.746  1.00  3.51           H  
ATOM    596  N   GLY A  41       5.487   2.966   1.916  1.00  1.11           N  
ATOM    597  CA  GLY A  41       6.761   3.581   1.911  1.00  1.17           C  
ATOM    598  C   GLY A  41       7.497   2.896   0.833  1.00  0.86           C  
ATOM    599  O   GLY A  41       6.956   2.095   0.078  1.00  0.89           O  
ATOM    600  H   GLY A  41       5.309   2.060   1.519  1.00  1.06           H  
ATOM    601  HA2 GLY A  41       6.676   4.645   1.676  1.00  1.55           H  
ATOM    602  HA3 GLY A  41       7.216   3.415   2.884  1.00  1.42           H  
ATOM    603  N   CYS A  42       8.731   3.337   0.837  1.00  0.81           N  
ATOM    604  CA  CYS A  42       9.797   2.832   0.052  1.00  0.75           C  
ATOM    605  C   CYS A  42      10.508   2.039   1.065  1.00  1.18           C  
ATOM    606  O   CYS A  42      11.059   2.517   2.044  1.00  1.71           O  
ATOM    607  CB  CYS A  42      10.661   3.994  -0.392  1.00  0.71           C  
ATOM    608  SG  CYS A  42       9.607   5.452  -0.564  1.00  1.31           S  
ATOM    609  H   CYS A  42       9.034   3.887   1.613  1.00  1.02           H  
ATOM    610  HA  CYS A  42       9.383   2.177  -0.713  1.00  0.67           H  
ATOM    611  HB2 CYS A  42      11.389   4.251   0.376  1.00  1.06           H  
ATOM    612  HB3 CYS A  42      11.214   3.739  -1.296  1.00  1.27           H  
ATOM    613  N   ALA A  43      10.168   0.817   0.814  1.00  1.04           N  
ATOM    614  CA  ALA A  43      10.618  -0.229   1.597  1.00  1.41           C  
ATOM    615  C   ALA A  43      11.939  -0.168   2.265  1.00  1.02           C  
ATOM    616  O   ALA A  43      12.841   0.625   2.063  1.00  1.41           O  
ATOM    617  CB  ALA A  43      10.911  -1.250   0.578  1.00  2.45           C  
ATOM    618  H   ALA A  43       9.624   0.550   0.016  1.00  0.84           H  
ATOM    619  HA  ALA A  43       9.809  -0.461   2.298  1.00  1.94           H  
ATOM    620  HB1 ALA A  43      10.587  -0.995  -0.407  1.00  2.55           H  
ATOM    621  HB2 ALA A  43      11.937  -1.631   0.452  1.00  2.99           H  
ATOM    622  HB3 ALA A  43      10.263  -1.941   1.061  1.00  2.99           H  
ATOM    623  N   ALA A  44      11.955  -1.318   2.930  1.00  1.22           N  
ATOM    624  CA  ALA A  44      13.147  -1.646   3.598  1.00  1.93           C  
ATOM    625  C   ALA A  44      13.049  -2.989   4.265  1.00  2.07           C  
ATOM    626  O   ALA A  44      13.688  -3.128   5.282  1.00  2.68           O  
ATOM    627  CB  ALA A  44      13.257  -0.593   4.710  1.00  2.63           C  
ATOM    628  H   ALA A  44      11.142  -1.886   2.892  1.00  1.39           H  
ATOM    629  HA  ALA A  44      13.949  -1.653   2.853  1.00  2.24           H  
ATOM    630  HB1 ALA A  44      12.251  -0.313   5.033  1.00  2.80           H  
ATOM    631  HB2 ALA A  44      13.810  -0.909   5.587  1.00  3.21           H  
ATOM    632  HB3 ALA A  44      13.736   0.299   4.314  1.00  2.98           H  
ATOM    633  N   THR A  45      12.270  -3.976   3.791  1.00  1.75           N  
ATOM    634  CA  THR A  45      12.129  -5.323   4.380  1.00  1.85           C  
ATOM    635  C   THR A  45      10.649  -5.494   4.809  1.00  1.64           C  
ATOM    636  O   THR A  45      10.173  -4.715   5.619  1.00  1.62           O  
ATOM    637  CB  THR A  45      13.027  -5.744   5.626  1.00  2.11           C  
ATOM    638  OG1 THR A  45      14.287  -5.229   5.988  1.00  2.32           O  
ATOM    639  CG2 THR A  45      13.562  -7.154   5.447  1.00  3.16           C  
ATOM    640  H   THR A  45      11.740  -3.696   2.995  1.00  1.67           H  
ATOM    641  HA  THR A  45      12.316  -5.998   3.546  1.00  1.93           H  
ATOM    642  HB  THR A  45      12.436  -5.667   6.544  1.00  1.90           H  
ATOM    643  HG1 THR A  45      14.618  -4.598   5.352  1.00  2.45           H  
ATOM    644 HG21 THR A  45      12.767  -7.877   5.310  1.00  3.71           H  
ATOM    645 HG22 THR A  45      14.221  -7.170   4.575  1.00  3.65           H  
ATOM    646 HG23 THR A  45      14.168  -7.447   6.310  1.00  3.28           H  
ATOM    647  N   CYS A  46       9.971  -6.568   4.329  1.00  1.66           N  
ATOM    648  CA  CYS A  46       8.746  -6.994   5.031  1.00  1.55           C  
ATOM    649  C   CYS A  46       9.086  -8.253   5.771  1.00  1.62           C  
ATOM    650  O   CYS A  46       9.181  -9.345   5.219  1.00  1.88           O  
ATOM    651  CB  CYS A  46       7.543  -7.388   4.192  1.00  1.71           C  
ATOM    652  SG  CYS A  46       6.319  -6.067   4.150  1.00  1.82           S  
ATOM    653  H   CYS A  46      10.417  -7.206   3.705  1.00  1.84           H  
ATOM    654  HA  CYS A  46       8.404  -6.204   5.694  1.00  1.46           H  
ATOM    655  HB2 CYS A  46       7.932  -7.664   3.223  1.00  1.60           H  
ATOM    656  HB3 CYS A  46       7.000  -8.268   4.547  1.00  2.26           H  
ATOM    657  N   PRO A  47       9.247  -8.105   7.090  1.00  2.01           N  
ATOM    658  CA  PRO A  47       9.400  -9.274   7.880  1.00  2.14           C  
ATOM    659  C   PRO A  47       7.971  -9.764   8.211  1.00  1.62           C  
ATOM    660  O   PRO A  47       6.998  -9.645   7.481  1.00  2.09           O  
ATOM    661  CB  PRO A  47      10.176  -8.730   9.081  1.00  3.18           C  
ATOM    662  CG  PRO A  47       9.661  -7.298   9.244  1.00  3.57           C  
ATOM    663  CD  PRO A  47       9.290  -6.859   7.834  1.00  2.80           C  
ATOM    664  HA  PRO A  47       9.995 -10.007   7.339  1.00  2.35           H  
ATOM    665  HB2 PRO A  47      10.141  -9.315   9.996  1.00  3.35           H  
ATOM    666  HB3 PRO A  47      11.227  -8.705   8.791  1.00  3.75           H  
ATOM    667  HG2 PRO A  47       8.763  -7.277   9.863  1.00  3.76           H  
ATOM    668  HG3 PRO A  47      10.407  -6.637   9.682  1.00  4.38           H  
ATOM    669  HD2 PRO A  47       8.321  -6.356   7.801  1.00  2.73           H  
ATOM    670  HD3 PRO A  47      10.057  -6.213   7.414  1.00  3.18           H  
ATOM    671  N   LYS A  48       7.919 -10.297   9.417  1.00  1.56           N  
ATOM    672  CA  LYS A  48       6.887 -11.218   9.831  1.00  1.83           C  
ATOM    673  C   LYS A  48       6.750 -10.999  11.318  1.00  1.79           C  
ATOM    674  O   LYS A  48       7.042 -11.842  12.147  1.00  2.18           O  
ATOM    675  CB  LYS A  48       7.205 -12.675   9.621  1.00  2.72           C  
ATOM    676  CG  LYS A  48       8.678 -12.867   9.413  1.00  3.04           C  
ATOM    677  CD  LYS A  48       9.044 -12.782   7.934  1.00  3.25           C  
ATOM    678  CE  LYS A  48      10.272 -13.630   7.743  1.00  3.99           C  
ATOM    679  NZ  LYS A  48      11.323 -13.138   8.640  1.00  4.30           N  
ATOM    680  H   LYS A  48       8.683 -10.180  10.041  1.00  2.02           H  
ATOM    681  HA  LYS A  48       6.027 -11.075   9.201  1.00  2.07           H  
ATOM    682  HB2 LYS A  48       6.886 -13.295  10.459  1.00  3.33           H  
ATOM    683  HB3 LYS A  48       6.604 -13.066   8.799  1.00  3.13           H  
ATOM    684  HG2 LYS A  48       9.272 -12.186  10.028  1.00  3.32           H  
ATOM    685  HG3 LYS A  48       8.895 -13.857   9.803  1.00  3.48           H  
ATOM    686  HD2 LYS A  48       8.215 -13.071   7.282  1.00  3.49           H  
ATOM    687  HD3 LYS A  48       9.278 -11.785   7.616  1.00  3.08           H  
ATOM    688  HE2 LYS A  48      10.018 -14.655   8.021  1.00  4.38           H  
ATOM    689  HE3 LYS A  48      10.619 -13.616   6.711  1.00  4.35           H  
ATOM    690  HZ1 LYS A  48      10.933 -12.410   9.274  1.00  4.11           H  
ATOM    691  HZ2 LYS A  48      11.671 -13.924   9.229  1.00  4.68           H  
ATOM    692  HZ3 LYS A  48      12.109 -12.731   8.091  1.00  4.75           H  
ATOM    693  N   VAL A  49       6.352  -9.789  11.607  1.00  1.54           N  
ATOM    694  CA  VAL A  49       5.912  -9.539  12.935  1.00  1.76           C  
ATOM    695  C   VAL A  49       4.726  -8.746  12.560  1.00  1.78           C  
ATOM    696  O   VAL A  49       4.877  -7.798  11.809  1.00  2.47           O  
ATOM    697  CB  VAL A  49       7.012  -8.697  13.582  1.00  2.27           C  
ATOM    698  CG1 VAL A  49       6.953  -8.813  15.096  1.00  2.58           C  
ATOM    699  CG2 VAL A  49       8.413  -9.096  13.087  1.00  2.70           C  
ATOM    700  H   VAL A  49       6.321  -8.973  11.024  1.00  1.40           H  
ATOM    701  HA  VAL A  49       5.627 -10.465  13.451  1.00  1.86           H  
ATOM    702  HB  VAL A  49       6.871  -7.650  13.302  1.00  2.93           H  
ATOM    703 HG11 VAL A  49       6.802  -9.849  15.403  1.00  2.43           H  
ATOM    704 HG12 VAL A  49       7.894  -8.472  15.525  1.00  3.05           H  
ATOM    705 HG13 VAL A  49       6.149  -8.199  15.500  1.00  3.15           H  
ATOM    706 HG21 VAL A  49       8.608 -10.148  13.302  1.00  3.00           H  
ATOM    707 HG22 VAL A  49       8.561  -8.921  12.020  1.00  3.13           H  
ATOM    708 HG23 VAL A  49       9.164  -8.500  13.597  1.00  3.02           H  
ATOM    709  N   LYS A  50       3.549  -9.211  12.897  1.00  1.60           N  
ATOM    710  CA  LYS A  50       2.489  -8.239  12.740  1.00  2.02           C  
ATOM    711  C   LYS A  50       1.479  -8.797  13.635  1.00  1.84           C  
ATOM    712  O   LYS A  50       1.280 -10.005  13.677  1.00  2.03           O  
ATOM    713  CB  LYS A  50       1.723  -8.040  11.426  1.00  2.63           C  
ATOM    714  CG  LYS A  50       2.106  -9.068  10.435  1.00  3.26           C  
ATOM    715  CD  LYS A  50       2.987  -8.452   9.337  1.00  4.16           C  
ATOM    716  CE  LYS A  50       3.663  -9.617   8.618  1.00  4.76           C  
ATOM    717  NZ  LYS A  50       4.512  -9.722   9.790  1.00  5.71           N  
ATOM    718  H   LYS A  50       3.327 -10.082  13.356  1.00  1.68           H  
ATOM    719  HA  LYS A  50       2.922  -7.284  13.024  1.00  2.38           H  
ATOM    720  HB2 LYS A  50       0.631  -8.124  11.517  1.00  2.65           H  
ATOM    721  HB3 LYS A  50       1.835  -7.018  11.060  1.00  3.16           H  
ATOM    722  HG2 LYS A  50       2.561  -9.918  10.938  1.00  3.52           H  
ATOM    723  HG3 LYS A  50       1.225  -9.542  10.013  1.00  3.43           H  
ATOM    724  HD2 LYS A  50       2.395  -7.843   8.661  1.00  4.42           H  
ATOM    725  HD3 LYS A  50       3.686  -7.701   9.741  1.00  4.53           H  
ATOM    726  HE2 LYS A  50       2.646  -9.988   8.452  1.00  4.91           H  
ATOM    727  HE3 LYS A  50       3.507 -10.691   8.765  1.00  4.78           H  
ATOM    728  HZ1 LYS A  50       4.288  -8.995  10.508  1.00  5.87           H  
ATOM    729  HZ2 LYS A  50       4.465 -10.660  10.246  1.00  6.19           H  
ATOM    730  HZ3 LYS A  50       5.470  -9.511   9.451  1.00  6.04           H  
ATOM    731  N   PRO A  51       0.881  -7.862  14.332  1.00  1.76           N  
ATOM    732  CA  PRO A  51      -0.306  -8.146  15.049  1.00  1.89           C  
ATOM    733  C   PRO A  51      -1.424  -8.167  13.996  1.00  1.80           C  
ATOM    734  O   PRO A  51      -1.663  -9.178  13.356  1.00  2.09           O  
ATOM    735  CB  PRO A  51      -0.255  -7.016  16.078  1.00  2.23           C  
ATOM    736  CG  PRO A  51       0.462  -5.824  15.417  1.00  2.24           C  
ATOM    737  CD  PRO A  51       1.336  -6.473  14.393  1.00  1.91           C  
ATOM    738  HA  PRO A  51      -0.259  -9.139  15.505  1.00  2.13           H  
ATOM    739  HB2 PRO A  51      -1.218  -6.773  16.511  1.00  2.42           H  
ATOM    740  HB3 PRO A  51       0.404  -7.390  16.864  1.00  2.53           H  
ATOM    741  HG2 PRO A  51      -0.209  -5.134  14.908  1.00  2.36           H  
ATOM    742  HG3 PRO A  51       1.097  -5.257  16.098  1.00  2.61           H  
ATOM    743  HD2 PRO A  51       1.266  -5.996  13.412  1.00  1.97           H  
ATOM    744  HD3 PRO A  51       2.373  -6.436  14.735  1.00  2.02           H  
ATOM    745  N   GLY A  52      -2.089  -7.021  13.929  1.00  1.56           N  
ATOM    746  CA  GLY A  52      -3.413  -6.975  13.340  1.00  1.66           C  
ATOM    747  C   GLY A  52      -3.443  -6.159  12.055  1.00  1.34           C  
ATOM    748  O   GLY A  52      -4.380  -6.239  11.273  1.00  1.48           O  
ATOM    749  H   GLY A  52      -1.606  -6.201  14.220  1.00  1.40           H  
ATOM    750  HA2 GLY A  52      -3.789  -7.983  13.156  1.00  1.98           H  
ATOM    751  HA3 GLY A  52      -4.034  -6.491  14.089  1.00  1.83           H  
ATOM    752  N   VAL A  53      -2.397  -5.337  11.920  1.00  1.43           N  
ATOM    753  CA  VAL A  53      -2.261  -4.484  10.769  1.00  1.12           C  
ATOM    754  C   VAL A  53      -1.832  -5.314   9.567  1.00  1.09           C  
ATOM    755  O   VAL A  53      -1.048  -6.248   9.690  1.00  1.43           O  
ATOM    756  CB  VAL A  53      -1.200  -3.426  11.093  1.00  1.08           C  
ATOM    757  CG1 VAL A  53      -1.669  -2.522  12.267  1.00  1.11           C  
ATOM    758  CG2 VAL A  53       0.189  -3.999  11.379  1.00  1.19           C  
ATOM    759  H   VAL A  53      -1.690  -5.277  12.610  1.00  1.95           H  
ATOM    760  HA  VAL A  53      -3.236  -4.031  10.574  1.00  1.08           H  
ATOM    761  HB  VAL A  53      -1.029  -2.886  10.168  1.00  1.05           H  
ATOM    762 HG11 VAL A  53      -2.616  -2.858  12.691  1.00  1.26           H  
ATOM    763 HG12 VAL A  53      -0.935  -2.504  13.068  1.00  1.72           H  
ATOM    764 HG13 VAL A  53      -1.824  -1.480  12.014  1.00  1.42           H  
ATOM    765 HG21 VAL A  53       0.521  -4.672  10.589  1.00  1.76           H  
ATOM    766 HG22 VAL A  53       0.914  -3.190  11.431  1.00  1.28           H  
ATOM    767 HG23 VAL A  53       0.194  -4.539  12.320  1.00  1.54           H  
ATOM    768  N   ASP A  54      -2.370  -4.867   8.423  1.00  0.86           N  
ATOM    769  CA  ASP A  54      -2.049  -5.557   7.195  1.00  0.93           C  
ATOM    770  C   ASP A  54      -0.772  -4.980   6.615  1.00  0.78           C  
ATOM    771  O   ASP A  54      -0.685  -3.786   6.389  1.00  0.61           O  
ATOM    772  CB  ASP A  54      -3.217  -5.351   6.225  1.00  0.94           C  
ATOM    773  CG  ASP A  54      -3.407  -6.704   5.563  1.00  1.86           C  
ATOM    774  OD1 ASP A  54      -3.949  -7.587   6.235  1.00  2.80           O  
ATOM    775  OD2 ASP A  54      -2.950  -6.873   4.430  1.00  2.14           O  
ATOM    776  H   ASP A  54      -3.046  -4.135   8.354  1.00  0.87           H  
ATOM    777  HA  ASP A  54      -1.876  -6.610   7.447  1.00  1.23           H  
ATOM    778  HB2 ASP A  54      -4.135  -5.064   6.743  1.00  1.01           H  
ATOM    779  HB3 ASP A  54      -3.023  -4.585   5.472  1.00  1.37           H  
ATOM    780  N   ILE A  55       0.238  -5.844   6.452  1.00  1.00           N  
ATOM    781  CA  ILE A  55       1.495  -5.389   5.870  1.00  0.95           C  
ATOM    782  C   ILE A  55       1.797  -6.312   4.706  1.00  1.00           C  
ATOM    783  O   ILE A  55       1.831  -7.536   4.840  1.00  1.22           O  
ATOM    784  CB  ILE A  55       2.697  -5.425   6.839  1.00  1.04           C  
ATOM    785  CG1 ILE A  55       2.293  -5.116   8.285  1.00  1.06           C  
ATOM    786  CG2 ILE A  55       3.834  -4.522   6.304  1.00  1.02           C  
ATOM    787  CD1 ILE A  55       3.476  -5.112   9.255  1.00  1.30           C  
ATOM    788  H   ILE A  55       0.002  -6.811   6.493  1.00  1.25           H  
ATOM    789  HA  ILE A  55       1.357  -4.374   5.497  1.00  0.86           H  
ATOM    790  HB  ILE A  55       3.088  -6.441   6.863  1.00  1.19           H  
ATOM    791 HG12 ILE A  55       1.787  -4.171   8.329  1.00  0.98           H  
ATOM    792 HG13 ILE A  55       1.543  -5.831   8.624  1.00  1.16           H  
ATOM    793 HG21 ILE A  55       3.452  -3.629   5.814  1.00  1.74           H  
ATOM    794 HG22 ILE A  55       4.539  -4.206   7.069  1.00  1.11           H  
ATOM    795 HG23 ILE A  55       4.397  -5.044   5.534  1.00  1.32           H  
ATOM    796 HD11 ILE A  55       4.216  -5.852   8.961  1.00  1.80           H  
ATOM    797 HD12 ILE A  55       3.971  -4.142   9.263  1.00  1.76           H  
ATOM    798 HD13 ILE A  55       3.137  -5.324  10.269  1.00  1.31           H  
ATOM    799  N   LYS A  56       2.066  -5.638   3.594  1.00  0.97           N  
ATOM    800  CA  LYS A  56       2.397  -6.270   2.341  1.00  0.99           C  
ATOM    801  C   LYS A  56       3.655  -5.567   1.888  1.00  0.95           C  
ATOM    802  O   LYS A  56       3.768  -4.361   2.037  1.00  1.18           O  
ATOM    803  CB  LYS A  56       1.249  -6.009   1.364  1.00  1.05           C  
ATOM    804  CG  LYS A  56       0.866  -4.524   1.333  1.00  1.36           C  
ATOM    805  CD  LYS A  56      -0.629  -4.276   1.272  1.00  1.81           C  
ATOM    806  CE  LYS A  56      -1.039  -4.379  -0.179  1.00  2.55           C  
ATOM    807  NZ  LYS A  56      -1.514  -5.737  -0.357  1.00  2.74           N  
ATOM    808  H   LYS A  56       2.159  -4.639   3.652  1.00  1.07           H  
ATOM    809  HA  LYS A  56       2.580  -7.333   2.494  1.00  1.05           H  
ATOM    810  HB2 LYS A  56       1.513  -6.328   0.354  1.00  0.99           H  
ATOM    811  HB3 LYS A  56       0.402  -6.624   1.666  1.00  1.27           H  
ATOM    812  HG2 LYS A  56       1.198  -3.987   2.192  1.00  1.27           H  
ATOM    813  HG3 LYS A  56       1.422  -4.044   0.532  1.00  1.84           H  
ATOM    814  HD2 LYS A  56      -1.160  -4.986   1.912  1.00  1.79           H  
ATOM    815  HD3 LYS A  56      -0.892  -3.303   1.680  1.00  1.95           H  
ATOM    816  HE2 LYS A  56      -1.820  -3.667  -0.440  1.00  2.75           H  
ATOM    817  HE3 LYS A  56      -0.196  -4.200  -0.854  1.00  3.11           H  
ATOM    818  HZ1 LYS A  56      -0.831  -6.389   0.081  1.00  3.04           H  
ATOM    819  HZ2 LYS A  56      -2.420  -5.842   0.138  1.00  2.72           H  
ATOM    820  HZ3 LYS A  56      -1.605  -5.940  -1.363  1.00  3.17           H  
ATOM    821  N   CYS A  57       4.582  -6.366   1.344  1.00  0.74           N  
ATOM    822  CA  CYS A  57       5.726  -5.806   0.626  1.00  0.73           C  
ATOM    823  C   CYS A  57       5.921  -6.610  -0.647  1.00  0.73           C  
ATOM    824  O   CYS A  57       5.652  -7.813  -0.664  1.00  0.98           O  
ATOM    825  CB  CYS A  57       7.010  -6.037   1.399  1.00  0.87           C  
ATOM    826  SG  CYS A  57       7.325  -4.983   2.821  1.00  1.31           S  
ATOM    827  H   CYS A  57       4.419  -7.351   1.393  1.00  0.76           H  
ATOM    828  HA  CYS A  57       5.559  -4.757   0.430  1.00  0.74           H  
ATOM    829  HB2 CYS A  57       6.918  -7.070   1.717  1.00  0.84           H  
ATOM    830  HB3 CYS A  57       7.902  -5.992   0.777  1.00  1.30           H  
ATOM    831  N   CYS A  58       6.526  -5.968  -1.626  1.00  0.64           N  
ATOM    832  CA  CYS A  58       6.841  -6.677  -2.838  1.00  0.64           C  
ATOM    833  C   CYS A  58       7.977  -5.915  -3.503  1.00  0.63           C  
ATOM    834  O   CYS A  58       7.939  -4.696  -3.649  1.00  0.86           O  
ATOM    835  CB  CYS A  58       5.569  -6.676  -3.674  1.00  0.71           C  
ATOM    836  SG  CYS A  58       5.100  -5.005  -4.080  1.00  1.51           S  
ATOM    837  H   CYS A  58       6.637  -4.974  -1.591  1.00  0.71           H  
ATOM    838  HA  CYS A  58       7.163  -7.689  -2.593  1.00  0.78           H  
ATOM    839  HB2 CYS A  58       5.637  -7.319  -4.549  1.00  1.11           H  
ATOM    840  HB3 CYS A  58       4.731  -7.023  -3.073  1.00  0.91           H  
ATOM    841  N   SER A  59       9.020  -6.674  -3.870  1.00  0.81           N  
ATOM    842  CA  SER A  59      10.139  -6.110  -4.635  1.00  0.85           C  
ATOM    843  C   SER A  59       9.646  -6.009  -5.983  1.00  0.51           C  
ATOM    844  O   SER A  59       8.562  -6.510  -6.224  1.00  1.17           O  
ATOM    845  CB  SER A  59      11.357  -7.035  -4.484  1.00  1.46           C  
ATOM    846  OG  SER A  59      10.937  -8.381  -4.628  1.00  1.74           O  
ATOM    847  H   SER A  59       8.956  -7.666  -3.916  1.00  1.12           H  
ATOM    848  HA  SER A  59      10.321  -5.056  -4.416  1.00  1.03           H  
ATOM    849  HB2 SER A  59      12.169  -6.782  -5.174  1.00  1.76           H  
ATOM    850  HB3 SER A  59      11.800  -6.948  -3.490  1.00  1.72           H  
ATOM    851  HG  SER A  59      10.362  -8.445  -5.378  1.00  1.67           H  
ATOM    852  N   THR A  60      10.436  -5.276  -6.764  1.00  0.91           N  
ATOM    853  CA  THR A  60      10.104  -4.814  -8.086  1.00  0.87           C  
ATOM    854  C   THR A  60      10.326  -3.301  -7.928  1.00  0.87           C  
ATOM    855  O   THR A  60      11.254  -2.858  -7.273  1.00  1.16           O  
ATOM    856  CB  THR A  60       8.663  -5.260  -8.542  1.00  1.11           C  
ATOM    857  OG1 THR A  60       8.432  -6.658  -8.569  1.00  1.44           O  
ATOM    858  CG2 THR A  60       8.231  -4.945  -9.972  1.00  1.78           C  
ATOM    859  H   THR A  60      11.141  -4.737  -6.278  1.00  1.52           H  
ATOM    860  HA  THR A  60      10.888  -5.199  -8.736  1.00  1.04           H  
ATOM    861  HB  THR A  60       7.955  -4.825  -7.827  1.00  1.84           H  
ATOM    862  HG1 THR A  60       9.216  -7.113  -8.838  1.00  1.68           H  
ATOM    863 HG21 THR A  60       8.921  -5.446 -10.646  1.00  2.57           H  
ATOM    864 HG22 THR A  60       7.237  -5.368 -10.132  1.00  2.24           H  
ATOM    865 HG23 THR A  60       8.197  -3.907 -10.281  1.00  2.05           H  
ATOM    866  N   ASP A  61       9.400  -2.598  -8.539  1.00  1.16           N  
ATOM    867  CA  ASP A  61       9.358  -1.176  -8.701  1.00  1.40           C  
ATOM    868  C   ASP A  61       7.952  -0.918  -8.212  1.00  1.21           C  
ATOM    869  O   ASP A  61       7.617  -0.814  -7.041  1.00  1.48           O  
ATOM    870  CB  ASP A  61       9.410  -0.890 -10.234  1.00  2.21           C  
ATOM    871  CG  ASP A  61      10.692  -0.441 -10.894  1.00  2.08           C  
ATOM    872  OD1 ASP A  61      11.370   0.424 -10.347  1.00  2.43           O  
ATOM    873  OD2 ASP A  61      10.925  -0.889 -12.016  1.00  2.23           O  
ATOM    874  H   ASP A  61       8.602  -3.082  -8.858  1.00  1.60           H  
ATOM    875  HA  ASP A  61      10.086  -0.668  -8.065  1.00  1.48           H  
ATOM    876  HB2 ASP A  61       9.034  -1.765 -10.771  1.00  2.75           H  
ATOM    877  HB3 ASP A  61       8.787  -0.040 -10.501  1.00  2.82           H  
ATOM    878  N   ASN A  62       7.095  -0.945  -9.232  1.00  1.21           N  
ATOM    879  CA  ASN A  62       5.809  -0.323  -9.119  1.00  1.31           C  
ATOM    880  C   ASN A  62       4.915  -1.280  -8.475  1.00  1.23           C  
ATOM    881  O   ASN A  62       3.756  -0.962  -8.229  1.00  1.31           O  
ATOM    882  CB  ASN A  62       5.194   0.022 -10.474  1.00  1.67           C  
ATOM    883  CG  ASN A  62       6.165   0.929 -11.194  1.00  1.79           C  
ATOM    884  OD1 ASN A  62       6.962   1.604 -10.576  1.00  2.39           O  
ATOM    885  ND2 ASN A  62       6.133   0.854 -12.521  1.00  1.82           N  
ATOM    886  H   ASN A  62       7.393  -1.383 -10.074  1.00  1.46           H  
ATOM    887  HA  ASN A  62       5.891   0.548  -8.493  1.00  1.31           H  
ATOM    888  HB2 ASN A  62       4.987  -0.873 -11.064  1.00  1.83           H  
ATOM    889  HB3 ASN A  62       4.257   0.565 -10.344  1.00  1.84           H  
ATOM    890 HD21 ASN A  62       5.347   0.437 -12.980  1.00  2.10           H  
ATOM    891 HD22 ASN A  62       6.905   1.229 -13.032  1.00  1.98           H  
ATOM    892  N   CYS A  63       5.473  -2.525  -8.342  1.00  1.17           N  
ATOM    893  CA  CYS A  63       4.761  -3.672  -7.898  1.00  1.16           C  
ATOM    894  C   CYS A  63       3.477  -3.552  -8.655  1.00  1.50           C  
ATOM    895  O   CYS A  63       3.355  -3.504  -9.868  1.00  2.22           O  
ATOM    896  CB  CYS A  63       4.656  -3.600  -6.353  1.00  0.92           C  
ATOM    897  SG  CYS A  63       3.944  -5.121  -5.699  1.00  1.61           S  
ATOM    898  H   CYS A  63       6.383  -2.751  -8.666  1.00  1.28           H  
ATOM    899  HA  CYS A  63       5.280  -4.567  -8.231  1.00  1.32           H  
ATOM    900  HB2 CYS A  63       5.630  -3.404  -5.922  1.00  1.29           H  
ATOM    901  HB3 CYS A  63       4.055  -2.774  -5.946  1.00  1.00           H  
ATOM    902  N   ASN A  64       2.623  -3.184  -7.704  1.00  1.65           N  
ATOM    903  CA  ASN A  64       1.391  -2.470  -7.545  1.00  1.95           C  
ATOM    904  C   ASN A  64       0.482  -1.679  -8.476  1.00  1.89           C  
ATOM    905  O   ASN A  64       0.808  -0.548  -8.820  1.00  1.95           O  
ATOM    906  CB  ASN A  64       0.680  -3.577  -6.805  1.00  2.44           C  
ATOM    907  CG  ASN A  64       0.647  -4.917  -7.691  1.00  3.19           C  
ATOM    908  OD1 ASN A  64       0.184  -5.960  -7.278  1.00  3.44           O  
ATOM    909  ND2 ASN A  64       1.038  -4.783  -8.998  1.00  4.07           N  
ATOM    910  H   ASN A  64       2.763  -3.793  -6.931  1.00  2.03           H  
ATOM    911  HA  ASN A  64       1.510  -2.518  -8.615  1.00  2.75           H  
ATOM    912  HB2 ASN A  64       1.162  -3.779  -5.849  1.00  2.63           H  
ATOM    913  HB3 ASN A  64      -0.240  -3.132  -6.442  1.00  2.98           H  
ATOM    914 HD21 ASN A  64       0.890  -3.898  -9.457  1.00  4.22           H  
ATOM    915 HD22 ASN A  64       1.548  -5.375  -9.621  1.00  4.78           H  
ATOM    916  N   PRO A  65      -0.726  -2.237  -8.874  1.00  2.80           N  
ATOM    917  CA  PRO A  65      -1.621  -1.324  -9.478  1.00  3.49           C  
ATOM    918  C   PRO A  65      -2.240  -0.707  -8.191  1.00  3.28           C  
ATOM    919  O   PRO A  65      -2.359   0.500  -8.039  1.00  3.51           O  
ATOM    920  CB  PRO A  65      -2.404  -2.346 -10.317  1.00  4.68           C  
ATOM    921  CG  PRO A  65      -2.690  -3.578  -9.489  1.00  4.78           C  
ATOM    922  CD  PRO A  65      -1.424  -3.560  -8.664  1.00  3.73           C  
ATOM    923  HA  PRO A  65      -1.155  -0.572 -10.118  1.00  3.72           H  
ATOM    924  HB2 PRO A  65      -3.269  -1.967 -10.853  1.00  5.25           H  
ATOM    925  HB3 PRO A  65      -1.715  -2.728 -11.076  1.00  5.16           H  
ATOM    926  HG2 PRO A  65      -3.109  -3.640  -8.520  1.00  5.62           H  
ATOM    927  HG3 PRO A  65      -3.677  -3.182  -9.351  1.00  5.01           H  
ATOM    928  HD2 PRO A  65      -1.544  -3.863  -7.605  1.00  3.80           H  
ATOM    929  HD3 PRO A  65      -1.081  -4.399  -9.221  1.00  3.93           H  
ATOM    930  N   PHE A  66      -2.602  -1.698  -7.291  1.00  3.22           N  
ATOM    931  CA  PHE A  66      -3.821  -2.130  -6.595  1.00  3.23           C  
ATOM    932  C   PHE A  66      -4.199  -0.979  -5.833  1.00  2.49           C  
ATOM    933  O   PHE A  66      -4.118  -0.940  -4.613  1.00  2.85           O  
ATOM    934  CB  PHE A  66      -5.199  -2.842  -6.810  1.00  4.24           C  
ATOM    935  CG  PHE A  66      -5.373  -3.951  -7.742  1.00  4.80           C  
ATOM    936  CD1 PHE A  66      -4.629  -5.059  -7.452  1.00  5.25           C  
ATOM    937  CD2 PHE A  66      -6.135  -3.846  -8.900  1.00  5.23           C  
ATOM    938  CE1 PHE A  66      -4.480  -6.010  -8.430  1.00  5.93           C  
ATOM    939  CE2 PHE A  66      -6.099  -4.872  -9.820  1.00  5.85           C  
ATOM    940  CZ  PHE A  66      -5.215  -5.924  -9.610  1.00  6.15           C  
ATOM    941  H   PHE A  66      -1.883  -2.280  -6.951  1.00  3.37           H  
ATOM    942  HA  PHE A  66      -4.087  -2.043  -7.629  1.00  3.43           H  
ATOM    943  HB2 PHE A  66      -5.416  -3.302  -5.859  1.00  4.38           H  
ATOM    944  HB3 PHE A  66      -5.975  -2.157  -7.100  1.00  4.75           H  
ATOM    945  HD1 PHE A  66      -4.086  -5.082  -6.514  1.00  5.28           H  
ATOM    946  HD2 PHE A  66      -6.712  -2.961  -9.146  1.00  5.29           H  
ATOM    947  HE1 PHE A  66      -3.699  -6.732  -8.259  1.00  6.47           H  
ATOM    948  HE2 PHE A  66      -6.740  -4.816 -10.689  1.00  6.32           H  
ATOM    949  HZ  PHE A  66      -5.050  -6.650 -10.385  1.00  6.75           H  
ATOM    950  N   PRO A  67      -4.693  -0.020  -6.638  1.00  2.01           N  
ATOM    951  CA  PRO A  67      -4.904   1.235  -5.982  1.00  1.91           C  
ATOM    952  C   PRO A  67      -6.038   0.985  -4.996  1.00  1.83           C  
ATOM    953  O   PRO A  67      -6.008   1.300  -3.824  1.00  2.23           O  
ATOM    954  CB  PRO A  67      -5.254   2.131  -7.154  1.00  2.68           C  
ATOM    955  CG  PRO A  67      -5.683   1.223  -8.301  1.00  2.95           C  
ATOM    956  CD  PRO A  67      -5.096  -0.089  -8.092  1.00  2.46           C  
ATOM    957  HA  PRO A  67      -4.011   1.548  -5.439  1.00  2.24           H  
ATOM    958  HB2 PRO A  67      -6.011   2.870  -6.919  1.00  3.09           H  
ATOM    959  HB3 PRO A  67      -4.341   2.635  -7.465  1.00  3.16           H  
ATOM    960  HG2 PRO A  67      -6.724   0.984  -8.215  1.00  3.36           H  
ATOM    961  HG3 PRO A  67      -5.358   1.571  -9.280  1.00  3.58           H  
ATOM    962  HD2 PRO A  67      -5.808  -0.843  -8.413  1.00  2.80           H  
ATOM    963  HD3 PRO A  67      -4.351  -0.221  -8.859  1.00  2.72           H  
ATOM    964  N   THR A  68      -6.999   0.270  -5.595  1.00  1.97           N  
ATOM    965  CA  THR A  68      -8.198  -0.226  -5.012  1.00  2.50           C  
ATOM    966  C   THR A  68      -8.747   0.537  -3.904  1.00  2.06           C  
ATOM    967  O   THR A  68      -8.237   1.084  -2.952  1.00  2.46           O  
ATOM    968  CB  THR A  68      -8.362  -1.644  -4.447  1.00  3.62           C  
ATOM    969  OG1 THR A  68      -8.476  -1.836  -3.056  1.00  4.14           O  
ATOM    970  CG2 THR A  68      -7.275  -2.440  -4.932  1.00  4.12           C  
ATOM    971  H   THR A  68      -6.798   0.177  -6.570  1.00  2.15           H  
ATOM    972  HA  THR A  68      -8.791  -0.116  -5.927  1.00  2.86           H  
ATOM    973  HB  THR A  68      -9.287  -2.049  -4.854  1.00  4.19           H  
ATOM    974  HG1 THR A  68      -7.869  -1.227  -2.610  1.00  4.39           H  
ATOM    975 HG21 THR A  68      -7.368  -2.220  -5.963  1.00  4.07           H  
ATOM    976 HG22 THR A  68      -6.335  -2.051  -4.541  1.00  4.10           H  
ATOM    977 HG23 THR A  68      -7.394  -3.505  -4.791  1.00  5.00           H  
ATOM    978  N   TRP A  69      -9.988   0.413  -4.173  1.00  1.79           N  
ATOM    979  CA  TRP A  69     -10.535   1.657  -4.017  1.00  1.73           C  
ATOM    980  C   TRP A  69     -11.635   1.391  -3.246  1.00  1.88           C  
ATOM    981  O   TRP A  69     -11.803   1.851  -2.186  1.00  2.36           O  
ATOM    982  CB  TRP A  69     -10.759   2.082  -5.451  1.00  2.44           C  
ATOM    983  CG  TRP A  69     -10.226   3.408  -5.326  1.00  3.12           C  
ATOM    984  CD1 TRP A  69      -8.966   3.874  -5.646  1.00  3.60           C  
ATOM    985  CD2 TRP A  69     -10.947   4.380  -4.616  1.00  3.99           C  
ATOM    986  NE1 TRP A  69      -8.899   5.127  -5.131  1.00  4.57           N  
ATOM    987  CE2 TRP A  69     -10.090   5.460  -4.459  1.00  4.80           C  
ATOM    988  CE3 TRP A  69     -12.148   4.295  -4.003  1.00  4.49           C  
ATOM    989  CZ2 TRP A  69     -10.590   6.521  -3.760  1.00  5.87           C  
ATOM    990  CZ3 TRP A  69     -12.649   5.323  -3.270  1.00  5.60           C  
ATOM    991  CH2 TRP A  69     -11.853   6.454  -3.141  1.00  6.23           C  
ATOM    992  H   TRP A  69     -10.274  -0.162  -4.932  1.00  2.12           H  
ATOM    993  HA  TRP A  69     -10.002   2.349  -3.343  1.00  1.77           H  
ATOM    994  HB2 TRP A  69     -10.035   1.579  -6.020  1.00  2.47           H  
ATOM    995  HB3 TRP A  69     -11.750   2.061  -5.911  1.00  3.08           H  
ATOM    996  HD1 TRP A  69      -8.190   3.272  -6.107  1.00  3.59           H  
ATOM    997  HE1 TRP A  69      -8.075   5.672  -5.151  1.00  5.23           H  
ATOM    998  HE3 TRP A  69     -12.718   3.415  -4.029  1.00  4.24           H  
ATOM    999  HZ2 TRP A  69      -9.974   7.396  -3.639  1.00  6.59           H  
ATOM   1000  HZ3 TRP A  69     -13.580   5.168  -2.748  1.00  6.17           H  
ATOM   1001  HH2 TRP A  69     -12.268   7.268  -2.580  1.00  7.16           H  
ATOM   1002  N   LYS A  70     -12.407   0.626  -3.871  1.00  2.24           N  
ATOM   1003  CA  LYS A  70     -13.738   0.476  -3.487  1.00  2.79           C  
ATOM   1004  C   LYS A  70     -14.076  -0.897  -3.903  1.00  3.39           C  
ATOM   1005  O   LYS A  70     -15.127  -1.444  -3.594  1.00  3.98           O  
ATOM   1006  CB  LYS A  70     -14.278   1.648  -4.252  1.00  3.42           C  
ATOM   1007  CG  LYS A  70     -15.339   1.550  -5.254  1.00  3.60           C  
ATOM   1008  CD  LYS A  70     -15.549   3.036  -5.558  1.00  4.30           C  
ATOM   1009  CE  LYS A  70     -16.533   3.172  -6.660  1.00  5.01           C  
ATOM   1010  NZ  LYS A  70     -17.724   2.684  -5.998  1.00  5.79           N  
ATOM   1011  H   LYS A  70     -12.230   0.577  -4.845  1.00  2.52           H  
ATOM   1012  HA  LYS A  70     -13.818   0.590  -2.430  1.00  2.65           H  
ATOM   1013  HB2 LYS A  70     -14.450   2.436  -3.524  1.00  4.05           H  
ATOM   1014  HB3 LYS A  70     -13.536   2.001  -4.970  1.00  3.60           H  
ATOM   1015  HG2 LYS A  70     -14.946   1.060  -6.130  1.00  3.69           H  
ATOM   1016  HG3 LYS A  70     -16.183   0.958  -4.914  1.00  3.62           H  
ATOM   1017  HD2 LYS A  70     -15.885   3.546  -4.650  1.00  4.39           H  
ATOM   1018  HD3 LYS A  70     -14.618   3.542  -5.840  1.00  4.68           H  
ATOM   1019  HE2 LYS A  70     -16.640   4.214  -6.960  1.00  5.18           H  
ATOM   1020  HE3 LYS A  70     -16.266   2.540  -7.515  1.00  5.23           H  
ATOM   1021  HZ1 LYS A  70     -17.729   3.106  -5.046  1.00  5.93           H  
ATOM   1022  HZ2 LYS A  70     -18.577   2.949  -6.522  1.00  6.42           H  
ATOM   1023  HZ3 LYS A  70     -17.624   1.653  -5.909  1.00  5.91           H  
ATOM   1024  N   ARG A  71     -13.082  -1.341  -4.721  1.00  3.58           N  
ATOM   1025  CA  ARG A  71     -13.297  -2.461  -5.468  1.00  4.37           C  
ATOM   1026  C   ARG A  71     -12.302  -2.809  -6.471  1.00  4.43           C  
ATOM   1027  O   ARG A  71     -12.558  -3.659  -7.299  1.00  4.60           O  
ATOM   1028  CB  ARG A  71     -14.306  -1.897  -6.439  1.00  5.06           C  
ATOM   1029  CG  ARG A  71     -15.354  -2.873  -6.277  1.00  5.69           C  
ATOM   1030  CD  ARG A  71     -16.188  -2.591  -7.471  1.00  6.70           C  
ATOM   1031  NE  ARG A  71     -17.453  -3.190  -7.308  1.00  6.64           N  
ATOM   1032  CZ  ARG A  71     -17.596  -4.488  -6.995  1.00  7.00           C  
ATOM   1033  NH1 ARG A  71     -16.554  -5.302  -6.761  1.00  7.76           N  
ATOM   1034  NH2 ARG A  71     -18.842  -4.895  -6.933  1.00  6.79           N  
ATOM   1035  H   ARG A  71     -12.610  -0.699  -5.304  1.00  3.31           H  
ATOM   1036  HA  ARG A  71     -13.494  -3.287  -4.782  1.00  4.59           H  
ATOM   1037  HB2 ARG A  71     -14.701  -0.911  -6.235  1.00  4.97           H  
ATOM   1038  HB3 ARG A  71     -14.022  -1.753  -7.498  1.00  5.39           H  
ATOM   1039  HG2 ARG A  71     -14.847  -3.836  -6.297  1.00  5.64           H  
ATOM   1040  HG3 ARG A  71     -15.839  -2.783  -5.304  1.00  5.67           H  
ATOM   1041  HD2 ARG A  71     -16.365  -1.516  -7.573  1.00  7.27           H  
ATOM   1042  HD3 ARG A  71     -15.707  -2.972  -8.371  1.00  7.09           H  
ATOM   1043  HE  ARG A  71     -18.156  -2.504  -7.492  1.00  6.37           H  
ATOM   1044 HH11 ARG A  71     -15.626  -4.930  -6.892  1.00  8.01           H  
ATOM   1045 HH12 ARG A  71     -16.602  -6.252  -6.458  1.00  8.22           H  
ATOM   1046 HH21 ARG A  71     -19.535  -4.296  -7.341  1.00  6.39           H  
ATOM   1047 HH22 ARG A  71     -19.136  -5.759  -6.527  1.00  7.14           H  
ATOM   1048  N   LYS A  72     -11.292  -1.970  -6.475  1.00  4.59           N  
ATOM   1049  CA  LYS A  72     -10.814  -1.623  -7.781  1.00  4.80           C  
ATOM   1050  C   LYS A  72     -11.791  -0.789  -8.529  1.00  5.27           C  
ATOM   1051  O   LYS A  72     -12.387  -1.102  -9.541  1.00  5.96           O  
ATOM   1052  CB  LYS A  72     -10.275  -2.715  -8.643  1.00  5.78           C  
ATOM   1053  CG  LYS A  72      -9.236  -3.289  -7.746  1.00  6.29           C  
ATOM   1054  CD  LYS A  72      -9.726  -4.418  -6.861  1.00  6.43           C  
ATOM   1055  CE  LYS A  72      -9.333  -5.655  -7.599  1.00  7.04           C  
ATOM   1056  NZ  LYS A  72      -8.080  -5.907  -6.912  1.00  7.61           N  
ATOM   1057  H   LYS A  72     -11.086  -1.399  -5.692  1.00  4.82           H  
ATOM   1058  HA  LYS A  72      -9.980  -1.009  -7.460  1.00  4.16           H  
ATOM   1059  HB2 LYS A  72     -11.021  -3.427  -8.992  1.00  6.18           H  
ATOM   1060  HB3 LYS A  72      -9.822  -2.290  -9.543  1.00  6.05           H  
ATOM   1061  HG2 LYS A  72      -8.460  -3.603  -8.401  1.00  6.81           H  
ATOM   1062  HG3 LYS A  72      -8.759  -2.521  -7.171  1.00  6.40           H  
ATOM   1063  HD2 LYS A  72      -9.330  -4.284  -5.850  1.00  6.79           H  
ATOM   1064  HD3 LYS A  72     -10.766  -4.560  -6.667  1.00  5.98           H  
ATOM   1065  HE2 LYS A  72     -10.076  -6.449  -7.509  1.00  6.99           H  
ATOM   1066  HE3 LYS A  72      -9.175  -5.472  -8.670  1.00  7.41           H  
ATOM   1067  HZ1 LYS A  72      -7.726  -4.985  -6.575  1.00  8.01           H  
ATOM   1068  HZ2 LYS A  72      -8.242  -6.474  -6.056  1.00  7.54           H  
ATOM   1069  HZ3 LYS A  72      -7.331  -6.303  -7.513  1.00  7.88           H  
ATOM   1070  N   HIS A  73     -11.635   0.358  -7.930  1.00  5.17           N  
ATOM   1071  CA  HIS A  73     -10.596   1.139  -8.538  1.00  6.00           C  
ATOM   1072  C   HIS A  73     -11.175   2.527  -8.930  1.00  6.42           C  
ATOM   1073  O   HIS A  73     -14.270   1.031  -8.217  1.00  7.13           O  
ATOM   1074  CB  HIS A  73      -9.496   0.460  -9.403  1.00  6.82           C  
ATOM   1075  CG  HIS A  73      -8.518   1.556  -9.634  1.00  7.22           C  
ATOM   1076  ND1 HIS A  73      -8.373   2.624  -8.808  1.00  7.36           N  
ATOM   1077  CD2 HIS A  73      -7.608   1.650 -10.654  1.00  7.82           C  
ATOM   1078  CE1 HIS A  73      -7.409   3.441  -9.288  1.00  8.04           C  
ATOM   1079  NE2 HIS A  73      -6.954   2.799 -10.397  1.00  8.31           N  
ATOM   1080  OXT HIS A  73     -11.435   1.418 -11.239  1.00  7.31           O  
ATOM   1081  H   HIS A  73     -11.646   0.327  -6.942  1.00  4.89           H  
ATOM   1082  HA  HIS A  73      -9.905   1.235  -7.745  1.00  6.11           H  
ATOM   1083  HB2 HIS A  73      -8.890  -0.309  -8.913  1.00  6.98           H  
ATOM   1084  HB3 HIS A  73      -9.830   0.002 -10.331  1.00  7.26           H  
ATOM   1085  HD1 HIS A  73      -8.836   2.754  -7.957  1.00  7.22           H  
ATOM   1086  HD2 HIS A  73      -7.421   0.880 -11.389  1.00  8.01           H  
ATOM   1087  HE1 HIS A  73      -7.764   3.902  -8.375  1.00  8.53           H  
TER    1088      HIS A  73                                                      
CONECT   44  288                                                                
CONECT  197  608                                                                
CONECT  288   44                                                                
CONECT  393  442                                                                
CONECT  442  393                                                                
CONECT  608  197                                                                
CONECT  652  826                                                                
CONECT  826  652                                                                
CONECT  836  897                                                                
CONECT  897  836                                                                
MASTER      253    0    0    1    5    0    0    6  557    1   10    6          
END