HEADER    METAL BINDING PROTEIN                   04-JUL-01   1JJD              
TITLE     NMR STRUCTURE OF THE CYANOBACTERIAL METALLOTHIONEIN SMTA              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: METALLOTHIONEIN;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: SMTA;                                                       
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS;                        
SOURCE   3 ORGANISM_TAXID: 1140;                                                
SOURCE   4 STRAIN: PCC 7942;                                                    
SOURCE   5 GENE: SMTA;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET29A                                    
KEYWDS    ZINC FINGER, ZINC CLUSTER, METALLOTHIONEIN, METAL BINDING PROTEIN     
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    P.J.SADLER,N.J.ROBINSON                                               
REVDAT   4   01-MAY-24 1JJD    1       REMARK LINK                              
REVDAT   3   13-JUL-11 1JJD    1       VERSN                                    
REVDAT   2   24-FEB-09 1JJD    1       VERSN                                    
REVDAT   1   22-AUG-01 1JJD    0                                                
JRNL        AUTH   C.A.BLINDAUER,M.D.HARRISON,J.A.PARKINSON,A.K.ROBINSON,       
JRNL        AUTH 2 J.S.CAVET,N.J.ROBINSON,P.J.SADLER                            
JRNL        TITL   A METALLOTHIONEIN CONTAINING A ZINC FINGER WITHIN A          
JRNL        TITL 2 FOUR-METAL CLUSTER PROTECTS A BACTERIUM FROM ZINC TOXICITY.  
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V.  98  9593 2001              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   11493688                                                     
JRNL        DOI    10.1073/PNAS.171120098                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : VNMR 6.1C, SYBYL 6.3                                 
REMARK   3   AUTHORS     : VARIAN (VNMR), TRIPOS, INC. (SYBYL)                  
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURE IS BASED ON A TOTAL OF 380 RESTRAINTS,                
REMARK   3  291 ARE NOE-DERIVED DISTANCE RESTRAINTS, 37 ARE DIHEDRAL ANGLE      
REMARK   3  RESTRAINTS,                                                         
REMARK   3  AND 52 ARE ZINC-LIGAND DISTANCE RESTRAINTS.                         
REMARK   4                                                                      
REMARK   4 1JJD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-JUL-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000013840.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 308; 308; 308                      
REMARK 210  PH                             : 7.0; 7.0; 7.0                      
REMARK 210  IONIC STRENGTH                 : 50MM NACL; 50MM NACL; 50MM NACL    
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT; AMBIENT          
REMARK 210  SAMPLE CONTENTS                : 3MM ZN4SMTA; 50 MM [D              
REMARK 210                                   -11]TRIS/HCL BUFFER; 50MM NACL;;   
REMARK 210                                   0.4MM 15N LABELLED ZN-SMTA; 50     
REMARK 210                                   MM [D-11]TRIS/HCL BUFFER; 50MM     
REMARK 210                                   NACL;; 3MM CD4SMTA; 50 MM [D-11]   
REMARK 210                                   TRIS/HCL BUFFER; 50MM NACL;        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; HNHA; 2D [1H,111CD]      
REMARK 210                                   HSQC                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 500 MHZ; 360 MHZ          
REMARK 210  SPECTROMETER MODEL             : UNITY; DMX                         
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN; BRUKER                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 2.1, SYBYL 6.3, DIANA      
REMARK 210                                   2.2.1                              
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, TORSION ANGLE   
REMARK 210                                   DYNAMICS                           
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 500                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : DIANA TARGET FUNCTION              
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: THE AVERAGE STRUCTURE WAS CALCULATED FROM THE BEST 20        
REMARK 210  CONFORMERS.                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465     RES C SSSEQI                                                     
REMARK 465     THR A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     THR A     4                                                      
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  40   CE1   HIS A  40   NE2    -0.067                       
REMARK 500    HIS A  49   CE1   HIS A  49   NE2    -0.067                       
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    ARG A  26   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500    CYS A  47   CB  -  CA  -  C   ANGL. DEV. =   7.4 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    ASN A  27       59.09   -146.75                                   
REMARK 500    CYS A  32      -70.44    -61.35                                   
REMARK 500    SER A  44      -87.03    -75.73                                   
REMARK 500    ASN A  53       48.24    -91.10                                   
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 LYS A   45     GLY A   46                  124.67                    
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  30         0.07    SIDE CHAIN                              
REMARK 500    TYR A  31         0.10    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 101  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   9   SG                                                     
REMARK 620 2 CYS A  14   SG  111.5                                              
REMARK 620 3 CYS A  32   SG  115.3 105.4                                        
REMARK 620 4 CYS A  36   SG  111.9 119.6  91.6                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 102  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  11   SG                                                     
REMARK 620 2 CYS A  36   SG  114.1                                              
REMARK 620 3 HIS A  40   NE2 109.0 109.5                                        
REMARK 620 4 CYS A  54   SG  123.2 105.6  93.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 104  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  14   SG                                                     
REMARK 620 2 CYS A  47   SG  109.5                                              
REMARK 620 3 CYS A  52   SG  105.3 105.6                                        
REMARK 620 4 CYS A  54   SG  116.3 115.6 103.2                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 103  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  16   SG                                                     
REMARK 620 2 CYS A  32   SG  126.0                                              
REMARK 620 3 CYS A  47   SG  102.2 103.9                                        
REMARK 620 4 HIS A  49   NE2 108.8 114.1  96.3                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 103                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 104                  
DBREF  1JJD A    2    56  UNP    P30331   MT_SYNP7         1     55             
SEQRES   1 A   55  THR SER THR THR LEU VAL LYS CYS ALA CYS GLU PRO CYS          
SEQRES   2 A   55  LEU CYS ASN VAL ASP PRO SER LYS ALA ILE ASP ARG ASN          
SEQRES   3 A   55  GLY LEU TYR TYR CYS SER GLU ALA CYS ALA ASP GLY HIS          
SEQRES   4 A   55  THR GLY GLY SER LYS GLY CYS GLY HIS THR GLY CYS ASN          
SEQRES   5 A   55  CYS HIS GLY                                                  
HET     ZN  A 101       1                                                       
HET     ZN  A 102       1                                                       
HET     ZN  A 103       1                                                       
HET     ZN  A 104       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    4(ZN 2+)                                                     
HELIX    1   1 SER A   33  GLY A   39  1                                   7    
SHEET    1   A 2 ILE A  24  ASP A  25  0                                        
SHEET    2   A 2 TYR A  30  TYR A  31 -1  O  TYR A  31   N  ILE A  24           
LINK         SG  CYS A   9                ZN    ZN A 101     1555   1555  2.38  
LINK         SG  CYS A  11                ZN    ZN A 102     1555   1555  2.39  
LINK         SG  CYS A  14                ZN    ZN A 101     1555   1555  2.38  
LINK         SG  CYS A  14                ZN    ZN A 104     1555   1555  2.37  
LINK         SG  CYS A  16                ZN    ZN A 103     1555   1555  2.36  
LINK         SG  CYS A  32                ZN    ZN A 101     1555   1555  2.37  
LINK         SG  CYS A  32                ZN    ZN A 103     1555   1555  2.37  
LINK         SG  CYS A  36                ZN    ZN A 101     1555   1555  2.38  
LINK         SG  CYS A  36                ZN    ZN A 102     1555   1555  2.36  
LINK         NE2 HIS A  40                ZN    ZN A 102     1555   1555  1.94  
LINK         SG  CYS A  47                ZN    ZN A 103     1555   1555  2.35  
LINK         SG  CYS A  47                ZN    ZN A 104     1555   1555  2.38  
LINK         NE2 HIS A  49                ZN    ZN A 103     1555   1555  1.91  
LINK         SG  CYS A  52                ZN    ZN A 104     1555   1555  2.37  
LINK         SG  CYS A  54                ZN    ZN A 102     1555   1555  2.38  
LINK         SG  CYS A  54                ZN    ZN A 104     1555   1555  2.38  
SITE     1 AC1  6 CYS A   9  CYS A  14  CYS A  32  CYS A  36                    
SITE     2 AC1  6  ZN A 103   ZN A 104                                          
SITE     1 AC2  4 CYS A  11  CYS A  36  HIS A  40  CYS A  54                    
SITE     1 AC3  7 CYS A  14  CYS A  16  CYS A  32  CYS A  47                    
SITE     2 AC3  7 HIS A  49   ZN A 101   ZN A 104                               
SITE     1 AC4  6 CYS A  14  CYS A  47  CYS A  52  CYS A  54                    
SITE     2 AC4  6  ZN A 101   ZN A 103                                          
CRYST1                                                               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   5      10.438  13.106   2.860  1.00  0.00           N  
ATOM      2  CA  THR A   5       9.102  13.034   3.432  1.00  0.00           C  
ATOM      3  C   THR A   5       8.470  11.753   2.943  1.00  0.00           C  
ATOM      4  O   THR A   5       8.695  11.417   1.791  1.00  0.00           O  
ATOM      5  CB  THR A   5       8.219  14.237   2.987  1.00  0.00           C  
ATOM      6  OG1 THR A   5       7.704  14.037   1.660  1.00  0.00           O  
ATOM      7  CG2 THR A   5       8.981  15.587   3.060  1.00  0.00           C  
ATOM      8  H   THR A   5      11.131  13.667   3.317  1.00  0.00           H  
ATOM      9  HA  THR A   5       9.194  13.029   4.533  1.00  0.00           H  
ATOM     10  HB  THR A   5       7.337  14.287   3.649  1.00  0.00           H  
ATOM     11  HG1 THR A   5       8.392  13.950   1.010  1.00  0.00           H  
ATOM     12 HG21 THR A   5       9.813  15.599   2.340  1.00  0.00           H  
ATOM     13 HG22 THR A   5       9.384  15.757   4.071  1.00  0.00           H  
ATOM     14 HG23 THR A   5       8.301  16.416   2.808  1.00  0.00           H  
ATOM     15  N   LEU A   6       7.688  11.022   3.773  1.00  0.00           N  
ATOM     16  CA  LEU A   6       7.028   9.808   3.287  1.00  0.00           C  
ATOM     17  C   LEU A   6       5.670  10.173   2.742  1.00  0.00           C  
ATOM     18  O   LEU A   6       5.130  11.183   3.164  1.00  0.00           O  
ATOM     19  CB  LEU A   6       6.842   8.758   4.410  1.00  0.00           C  
ATOM     20  CG  LEU A   6       8.203   8.191   4.913  1.00  0.00           C  
ATOM     21  CD1 LEU A   6       8.118   7.790   6.411  1.00  0.00           C  
ATOM     22  CD2 LEU A   6       8.645   6.972   4.055  1.00  0.00           C  
ATOM     23  H   LEU A   6       7.494  11.328   4.707  1.00  0.00           H  
ATOM     24  HA  LEU A   6       7.624   9.345   2.484  1.00  0.00           H  
ATOM     25  HB2 LEU A   6       6.292   9.254   5.225  1.00  0.00           H  
ATOM     26  HB3 LEU A   6       6.218   7.935   4.025  1.00  0.00           H  
ATOM     27  HG  LEU A   6       8.975   8.977   4.834  1.00  0.00           H  
ATOM     28 HD11 LEU A   6       7.353   7.016   6.564  1.00  0.00           H  
ATOM     29 HD12 LEU A   6       7.863   8.665   7.029  1.00  0.00           H  
ATOM     30 HD13 LEU A   6       9.086   7.397   6.757  1.00  0.00           H  
ATOM     31 HD21 LEU A   6       8.701   7.232   2.988  1.00  0.00           H  
ATOM     32 HD22 LEU A   6       7.930   6.145   4.168  1.00  0.00           H  
ATOM     33 HD23 LEU A   6       9.635   6.615   4.379  1.00  0.00           H  
ATOM     34  N   VAL A   7       5.129   9.360   1.803  1.00  0.00           N  
ATOM     35  CA  VAL A   7       3.785   9.571   1.263  1.00  0.00           C  
ATOM     36  C   VAL A   7       2.903   8.412   1.684  1.00  0.00           C  
ATOM     37  O   VAL A   7       3.430   7.354   1.986  1.00  0.00           O  
ATOM     38  CB  VAL A   7       3.806   9.897  -0.266  1.00  0.00           C  
ATOM     39  CG1 VAL A   7       5.253   9.965  -0.814  1.00  0.00           C  
ATOM     40  CG2 VAL A   7       3.023   8.874  -1.125  1.00  0.00           C  
ATOM     41  H   VAL A   7       5.602   8.523   1.530  1.00  0.00           H  
ATOM     42  HA  VAL A   7       3.343  10.449   1.759  1.00  0.00           H  
ATOM     43  HB  VAL A   7       3.355  10.886  -0.456  1.00  0.00           H  
ATOM     44 HG11 VAL A   7       5.669   8.954  -0.738  1.00  0.00           H  
ATOM     45 HG12 VAL A   7       5.880  10.661  -0.241  1.00  0.00           H  
ATOM     46 HG13 VAL A   7       5.279  10.275  -1.870  1.00  0.00           H  
ATOM     47 HG21 VAL A   7       1.949   8.893  -0.898  1.00  0.00           H  
ATOM     48 HG22 VAL A   7       3.408   7.856  -0.974  1.00  0.00           H  
ATOM     49 HG23 VAL A   7       3.151   9.132  -2.183  1.00  0.00           H  
ATOM     50  N   LYS A   8       1.565   8.595   1.718  1.00  0.00           N  
ATOM     51  CA  LYS A   8       0.654   7.487   2.037  1.00  0.00           C  
ATOM     52  C   LYS A   8       0.766   6.349   1.045  1.00  0.00           C  
ATOM     53  O   LYS A   8       1.515   6.440   0.086  1.00  0.00           O  
ATOM     54  CB  LYS A   8      -0.822   7.999   2.193  1.00  0.00           C  
ATOM     55  CG  LYS A   8      -1.201   8.219   3.689  1.00  0.00           C  
ATOM     56  CD  LYS A   8      -2.203   9.381   3.932  1.00  0.00           C  
ATOM     57  CE  LYS A   8      -3.622   9.146   3.351  1.00  0.00           C  
ATOM     58  NZ  LYS A   8      -4.468  10.344   3.565  1.00  0.00           N  
ATOM     59  H   LYS A   8       1.196   9.494   1.476  1.00  0.00           H  
ATOM     60  HA  LYS A   8       0.990   7.027   2.982  1.00  0.00           H  
ATOM     61  HB2 LYS A   8      -0.962   8.931   1.631  1.00  0.00           H  
ATOM     62  HB3 LYS A   8      -1.549   7.303   1.750  1.00  0.00           H  
ATOM     63  HG2 LYS A   8      -1.595   7.280   4.113  1.00  0.00           H  
ATOM     64  HG3 LYS A   8      -0.301   8.487   4.264  1.00  0.00           H  
ATOM     65  HD2 LYS A   8      -2.309   9.534   5.019  1.00  0.00           H  
ATOM     66  HD3 LYS A   8      -1.781  10.305   3.508  1.00  0.00           H  
ATOM     67  HE2 LYS A   8      -3.562   8.927   2.273  1.00  0.00           H  
ATOM     68  HE3 LYS A   8      -4.079   8.274   3.849  1.00  0.00           H  
ATOM     69  HZ1 LYS A   8      -4.097  11.198   3.014  1.00  0.00           H  
ATOM     70  HZ2 LYS A   8      -4.507  10.639   4.605  1.00  0.00           H  
ATOM     71  HZ3 LYS A   8      -5.490  10.187   3.244  1.00  0.00           H  
ATOM     72  N   CYS A   9      -0.019   5.271   1.273  1.00  0.00           N  
ATOM     73  CA  CYS A   9      -0.122   4.170   0.317  1.00  0.00           C  
ATOM     74  C   CYS A   9      -1.454   4.369  -0.370  1.00  0.00           C  
ATOM     75  O   CYS A   9      -2.269   5.133   0.122  1.00  0.00           O  
ATOM     76  CB  CYS A   9      -0.091   2.808   1.082  1.00  0.00           C  
ATOM     77  SG  CYS A   9      -0.602   1.407   0.030  1.00  0.00           S  
ATOM     78  H   CYS A   9      -0.569   5.202   2.106  1.00  0.00           H  
ATOM     79  HA  CYS A   9       0.679   4.171  -0.437  1.00  0.00           H  
ATOM     80  HB2 CYS A   9       0.917   2.620   1.482  1.00  0.00           H  
ATOM     81  HB3 CYS A   9      -0.797   2.833   1.924  1.00  0.00           H  
ATOM     82  N   ALA A  10      -1.721   3.681  -1.502  1.00  0.00           N  
ATOM     83  CA  ALA A  10      -2.975   3.902  -2.228  1.00  0.00           C  
ATOM     84  C   ALA A  10      -4.184   3.230  -1.616  1.00  0.00           C  
ATOM     85  O   ALA A  10      -5.245   3.310  -2.216  1.00  0.00           O  
ATOM     86  CB  ALA A  10      -2.819   3.174  -3.587  1.00  0.00           C  
ATOM     87  H   ALA A  10      -0.999   3.136  -1.934  1.00  0.00           H  
ATOM     88  HA  ALA A  10      -3.156   4.977  -2.390  1.00  0.00           H  
ATOM     89  HB1 ALA A  10      -3.714   3.252  -4.219  1.00  0.00           H  
ATOM     90  HB2 ALA A  10      -2.629   2.109  -3.400  1.00  0.00           H  
ATOM     91  HB3 ALA A  10      -1.954   3.598  -4.108  1.00  0.00           H  
ATOM     92  N   CYS A  11      -4.072   2.591  -0.433  1.00  0.00           N  
ATOM     93  CA  CYS A  11      -5.237   1.974   0.199  1.00  0.00           C  
ATOM     94  C   CYS A  11      -5.671   2.986   1.242  1.00  0.00           C  
ATOM     95  O   CYS A  11      -4.836   3.352   2.054  1.00  0.00           O  
ATOM     96  CB  CYS A  11      -4.842   0.624   0.866  1.00  0.00           C  
ATOM     97  SG  CYS A  11      -5.266  -0.907  -0.014  1.00  0.00           S  
ATOM     98  H   CYS A  11      -3.209   2.586   0.071  1.00  0.00           H  
ATOM     99  HA  CYS A  11      -6.050   1.762  -0.513  1.00  0.00           H  
ATOM    100  HB2 CYS A  11      -3.754   0.558   0.979  1.00  0.00           H  
ATOM    101  HB3 CYS A  11      -5.351   0.547   1.834  1.00  0.00           H  
ATOM    102  N   GLU A  12      -6.943   3.459   1.255  1.00  0.00           N  
ATOM    103  CA  GLU A  12      -7.374   4.411   2.279  1.00  0.00           C  
ATOM    104  C   GLU A  12      -7.096   3.832   3.649  1.00  0.00           C  
ATOM    105  O   GLU A  12      -6.378   4.489   4.387  1.00  0.00           O  
ATOM    106  CB  GLU A  12      -8.865   4.872   2.177  1.00  0.00           C  
ATOM    107  CG  GLU A  12      -9.014   6.303   1.589  1.00  0.00           C  
ATOM    108  CD  GLU A  12     -10.462   6.711   1.459  1.00  0.00           C  
ATOM    109  OE1 GLU A  12     -11.275   5.889   0.955  1.00  0.00           O  
ATOM    110  OE2 GLU A  12     -10.804   7.859   1.856  1.00  0.00           O  
ATOM    111  H   GLU A  12      -7.611   3.158   0.581  1.00  0.00           H  
ATOM    112  HA  GLU A  12      -6.734   5.302   2.161  1.00  0.00           H  
ATOM    113  HB2 GLU A  12      -9.448   4.170   1.562  1.00  0.00           H  
ATOM    114  HB3 GLU A  12      -9.328   4.893   3.178  1.00  0.00           H  
ATOM    115  HG2 GLU A  12      -8.497   7.020   2.250  1.00  0.00           H  
ATOM    116  HG3 GLU A  12      -8.546   6.351   0.593  1.00  0.00           H  
ATOM    117  N   PRO A  13      -7.602   2.640   4.061  1.00  0.00           N  
ATOM    118  CA  PRO A  13      -7.320   2.184   5.413  1.00  0.00           C  
ATOM    119  C   PRO A  13      -5.890   1.738   5.644  1.00  0.00           C  
ATOM    120  O   PRO A  13      -5.615   1.321   6.758  1.00  0.00           O  
ATOM    121  CB  PRO A  13      -8.360   1.040   5.557  1.00  0.00           C  
ATOM    122  CG  PRO A  13      -8.569   0.538   4.112  1.00  0.00           C  
ATOM    123  CD  PRO A  13      -8.486   1.816   3.245  1.00  0.00           C  
ATOM    124  HA  PRO A  13      -7.550   3.000   6.111  1.00  0.00           H  
ATOM    125  HB2 PRO A  13      -8.061   0.223   6.237  1.00  0.00           H  
ATOM    126  HB3 PRO A  13      -9.317   1.462   5.911  1.00  0.00           H  
ATOM    127  HG2 PRO A  13      -7.724  -0.111   3.844  1.00  0.00           H  
ATOM    128  HG3 PRO A  13      -9.511  -0.027   3.988  1.00  0.00           H  
ATOM    129  HD2 PRO A  13      -8.094   1.557   2.251  1.00  0.00           H  
ATOM    130  HD3 PRO A  13      -9.479   2.282   3.161  1.00  0.00           H  
ATOM    131  N   CYS A  14      -4.963   1.816   4.656  1.00  0.00           N  
ATOM    132  CA  CYS A  14      -3.575   1.426   4.904  1.00  0.00           C  
ATOM    133  C   CYS A  14      -2.894   2.504   5.714  1.00  0.00           C  
ATOM    134  O   CYS A  14      -2.905   3.646   5.284  1.00  0.00           O  
ATOM    135  CB  CYS A  14      -2.874   1.012   3.579  1.00  0.00           C  
ATOM    136  SG  CYS A  14      -1.251   0.215   3.721  1.00  0.00           S  
ATOM    137  H   CYS A  14      -5.184   2.171   3.752  1.00  0.00           H  
ATOM    138  HA  CYS A  14      -3.594   0.527   5.519  1.00  0.00           H  
ATOM    139  HB2 CYS A  14      -3.476   0.209   3.149  1.00  0.00           H  
ATOM    140  HB3 CYS A  14      -2.812   1.865   2.890  1.00  0.00           H  
ATOM    141  N   LEU A  15      -2.322   2.150   6.895  1.00  0.00           N  
ATOM    142  CA  LEU A  15      -1.650   3.123   7.747  1.00  0.00           C  
ATOM    143  C   LEU A  15      -0.181   3.192   7.375  1.00  0.00           C  
ATOM    144  O   LEU A  15       0.575   3.802   8.115  1.00  0.00           O  
ATOM    145  CB  LEU A  15      -1.815   2.722   9.248  1.00  0.00           C  
ATOM    146  CG  LEU A  15      -3.298   2.454   9.685  1.00  0.00           C  
ATOM    147  CD1 LEU A  15      -3.632   0.937   9.828  1.00  0.00           C  
ATOM    148  CD2 LEU A  15      -3.619   3.148  11.040  1.00  0.00           C  
ATOM    149  H   LEU A  15      -2.237   1.197   7.175  1.00  0.00           H  
ATOM    150  HA  LEU A  15      -2.092   4.126   7.615  1.00  0.00           H  
ATOM    151  HB2 LEU A  15      -1.205   1.827   9.449  1.00  0.00           H  
ATOM    152  HB3 LEU A  15      -1.387   3.540   9.851  1.00  0.00           H  
ATOM    153  HG  LEU A  15      -3.979   2.886   8.931  1.00  0.00           H  
ATOM    154 HD11 LEU A  15      -2.983   0.477  10.589  1.00  0.00           H  
ATOM    155 HD12 LEU A  15      -3.502   0.389   8.888  1.00  0.00           H  
ATOM    156 HD13 LEU A  15      -4.678   0.794  10.142  1.00  0.00           H  
ATOM    157 HD21 LEU A  15      -3.474   4.237  10.961  1.00  0.00           H  
ATOM    158 HD22 LEU A  15      -2.959   2.762  11.833  1.00  0.00           H  
ATOM    159 HD23 LEU A  15      -4.663   2.969  11.341  1.00  0.00           H  
ATOM    160  N   CYS A  16       0.263   2.553   6.264  1.00  0.00           N  
ATOM    161  CA  CYS A  16       1.691   2.461   5.974  1.00  0.00           C  
ATOM    162  C   CYS A  16       2.162   3.747   5.355  1.00  0.00           C  
ATOM    163  O   CYS A  16       1.389   4.363   4.639  1.00  0.00           O  
ATOM    164  CB  CYS A  16       2.028   1.287   5.018  1.00  0.00           C  
ATOM    165  SG  CYS A  16       1.202  -0.148   5.744  1.00  0.00           S  
ATOM    166  H   CYS A  16      -0.351   2.142   5.597  1.00  0.00           H  
ATOM    167  HA  CYS A  16       2.219   2.264   6.924  1.00  0.00           H  
ATOM    168  HB2 CYS A  16       1.622   1.462   4.010  1.00  0.00           H  
ATOM    169  HB3 CYS A  16       3.113   1.105   4.952  1.00  0.00           H  
ATOM    170  N   ASN A  17       3.422   4.149   5.631  1.00  0.00           N  
ATOM    171  CA  ASN A  17       3.976   5.361   5.038  1.00  0.00           C  
ATOM    172  C   ASN A  17       5.082   4.912   4.110  1.00  0.00           C  
ATOM    173  O   ASN A  17       6.106   4.505   4.634  1.00  0.00           O  
ATOM    174  CB  ASN A  17       4.466   6.248   6.211  1.00  0.00           C  
ATOM    175  CG  ASN A  17       3.344   6.649   7.139  1.00  0.00           C  
ATOM    176  OD1 ASN A  17       2.200   6.285   6.913  1.00  0.00           O  
ATOM    177  ND2 ASN A  17       3.657   7.416   8.205  1.00  0.00           N  
ATOM    178  H   ASN A  17       4.027   3.602   6.215  1.00  0.00           H  
ATOM    179  HA  ASN A  17       3.227   5.946   4.480  1.00  0.00           H  
ATOM    180  HB2 ASN A  17       5.231   5.710   6.794  1.00  0.00           H  
ATOM    181  HB3 ASN A  17       4.907   7.169   5.812  1.00  0.00           H  
ATOM    182 HD21 ASN A  17       4.601   7.705   8.373  1.00  0.00           H  
ATOM    183 HD22 ASN A  17       2.939   7.706   8.839  1.00  0.00           H  
ATOM    184  N   VAL A  18       4.895   4.941   2.765  1.00  0.00           N  
ATOM    185  CA  VAL A  18       5.936   4.486   1.838  1.00  0.00           C  
ATOM    186  C   VAL A  18       6.484   5.627   1.017  1.00  0.00           C  
ATOM    187  O   VAL A  18       5.959   6.722   1.137  1.00  0.00           O  
ATOM    188  CB  VAL A  18       5.409   3.307   0.973  1.00  0.00           C  
ATOM    189  CG1 VAL A  18       4.776   2.249   1.910  1.00  0.00           C  
ATOM    190  CG2 VAL A  18       4.399   3.745  -0.127  1.00  0.00           C  
ATOM    191  H   VAL A  18       4.046   5.292   2.370  1.00  0.00           H  
ATOM    192  HA  VAL A  18       6.809   4.103   2.393  1.00  0.00           H  
ATOM    193  HB  VAL A  18       6.267   2.828   0.469  1.00  0.00           H  
ATOM    194 HG11 VAL A  18       3.762   2.548   2.218  1.00  0.00           H  
ATOM    195 HG12 VAL A  18       5.385   2.075   2.808  1.00  0.00           H  
ATOM    196 HG13 VAL A  18       4.731   1.305   1.363  1.00  0.00           H  
ATOM    197 HG21 VAL A  18       4.865   4.462  -0.820  1.00  0.00           H  
ATOM    198 HG22 VAL A  18       3.502   4.212   0.303  1.00  0.00           H  
ATOM    199 HG23 VAL A  18       4.077   2.864  -0.705  1.00  0.00           H  
ATOM    200  N   ASP A  19       7.529   5.380   0.188  1.00  0.00           N  
ATOM    201  CA  ASP A  19       8.127   6.432  -0.638  1.00  0.00           C  
ATOM    202  C   ASP A  19       7.824   6.099  -2.087  1.00  0.00           C  
ATOM    203  O   ASP A  19       7.628   4.921  -2.337  1.00  0.00           O  
ATOM    204  CB  ASP A  19       9.656   6.468  -0.337  1.00  0.00           C  
ATOM    205  CG  ASP A  19      10.204   7.864  -0.177  1.00  0.00           C  
ATOM    206  OD1 ASP A  19       9.679   8.610   0.695  1.00  0.00           O  
ATOM    207  OD2 ASP A  19      11.163   8.226  -0.911  1.00  0.00           O  
ATOM    208  H   ASP A  19       7.928   4.464   0.108  1.00  0.00           H  
ATOM    209  HA  ASP A  19       7.686   7.403  -0.377  1.00  0.00           H  
ATOM    210  HB2 ASP A  19       9.858   5.971   0.626  1.00  0.00           H  
ATOM    211  HB3 ASP A  19      10.212   5.913  -1.109  1.00  0.00           H  
ATOM    212  N   PRO A  20       7.768   7.027  -3.078  1.00  0.00           N  
ATOM    213  CA  PRO A  20       7.461   6.628  -4.444  1.00  0.00           C  
ATOM    214  C   PRO A  20       8.728   6.254  -5.187  1.00  0.00           C  
ATOM    215  O   PRO A  20       8.618   5.871  -6.341  1.00  0.00           O  
ATOM    216  CB  PRO A  20       6.877   7.975  -4.927  1.00  0.00           C  
ATOM    217  CG  PRO A  20       7.814   9.015  -4.276  1.00  0.00           C  
ATOM    218  CD  PRO A  20       8.064   8.436  -2.862  1.00  0.00           C  
ATOM    219  HA  PRO A  20       6.714   5.823  -4.518  1.00  0.00           H  
ATOM    220  HB2 PRO A  20       6.812   8.060  -6.024  1.00  0.00           H  
ATOM    221  HB3 PRO A  20       5.874   8.116  -4.494  1.00  0.00           H  
ATOM    222  HG2 PRO A  20       8.746   9.031  -4.857  1.00  0.00           H  
ATOM    223  HG3 PRO A  20       7.390  10.034  -4.259  1.00  0.00           H  
ATOM    224  HD2 PRO A  20       9.089   8.619  -2.514  1.00  0.00           H  
ATOM    225  HD3 PRO A  20       7.357   8.884  -2.166  1.00  0.00           H  
ATOM    226  N   SER A  21       9.924   6.332  -4.549  1.00  0.00           N  
ATOM    227  CA  SER A  21      11.168   5.909  -5.192  1.00  0.00           C  
ATOM    228  C   SER A  21      11.397   4.431  -4.923  1.00  0.00           C  
ATOM    229  O   SER A  21      12.095   3.804  -5.705  1.00  0.00           O  
ATOM    230  CB  SER A  21      12.347   6.700  -4.555  1.00  0.00           C  
ATOM    231  OG  SER A  21      13.588   6.498  -5.247  1.00  0.00           O  
ATOM    232  H   SER A  21      10.006   6.669  -3.613  1.00  0.00           H  
ATOM    233  HA  SER A  21      11.136   6.119  -6.273  1.00  0.00           H  
ATOM    234  HB2 SER A  21      12.118   7.778  -4.528  1.00  0.00           H  
ATOM    235  HB3 SER A  21      12.479   6.356  -3.519  1.00  0.00           H  
ATOM    236  HG  SER A  21      13.561   6.811  -6.151  1.00  0.00           H  
ATOM    237  N   LYS A  22      10.813   3.864  -3.836  1.00  0.00           N  
ATOM    238  CA  LYS A  22      11.025   2.463  -3.460  1.00  0.00           C  
ATOM    239  C   LYS A  22       9.766   1.635  -3.645  1.00  0.00           C  
ATOM    240  O   LYS A  22       9.884   0.437  -3.848  1.00  0.00           O  
ATOM    241  CB  LYS A  22      11.304   2.478  -1.932  1.00  0.00           C  
ATOM    242  CG  LYS A  22      12.011   1.216  -1.371  1.00  0.00           C  
ATOM    243  CD  LYS A  22      13.528   1.151  -1.731  1.00  0.00           C  
ATOM    244  CE  LYS A  22      14.374   0.321  -0.706  1.00  0.00           C  
ATOM    245  NZ  LYS A  22      15.387   1.151  -0.014  1.00  0.00           N  
ATOM    246  H   LYS A  22      10.286   4.421  -3.198  1.00  0.00           H  
ATOM    247  HA  LYS A  22      11.874   2.021  -4.003  1.00  0.00           H  
ATOM    248  HB2 LYS A  22      11.918   3.351  -1.678  1.00  0.00           H  
ATOM    249  HB3 LYS A  22      10.346   2.612  -1.407  1.00  0.00           H  
ATOM    250  HG2 LYS A  22      11.919   1.264  -0.276  1.00  0.00           H  
ATOM    251  HG3 LYS A  22      11.503   0.298  -1.708  1.00  0.00           H  
ATOM    252  HD2 LYS A  22      13.635   0.759  -2.761  1.00  0.00           H  
ATOM    253  HD3 LYS A  22      13.935   2.172  -1.756  1.00  0.00           H  
ATOM    254  HE2 LYS A  22      13.739  -0.142   0.063  1.00  0.00           H  
ATOM    255  HE3 LYS A  22      14.893  -0.505  -1.224  1.00  0.00           H  
ATOM    256  HZ1 LYS A  22      14.942   2.008   0.464  1.00  0.00           H  
ATOM    257  HZ2 LYS A  22      16.103   1.550  -0.710  1.00  0.00           H  
ATOM    258  HZ3 LYS A  22      15.978   0.569   0.675  1.00  0.00           H  
ATOM    259  N   ALA A  23       8.546   2.225  -3.572  1.00  0.00           N  
ATOM    260  CA  ALA A  23       7.326   1.419  -3.538  1.00  0.00           C  
ATOM    261  C   ALA A  23       7.036   0.853  -4.907  1.00  0.00           C  
ATOM    262  O   ALA A  23       7.751   1.168  -5.845  1.00  0.00           O  
ATOM    263  CB  ALA A  23       6.144   2.300  -3.047  1.00  0.00           C  
ATOM    264  H   ALA A  23       8.436   3.215  -3.491  1.00  0.00           H  
ATOM    265  HA  ALA A  23       7.458   0.584  -2.830  1.00  0.00           H  
ATOM    266  HB1 ALA A  23       5.203   1.748  -2.947  1.00  0.00           H  
ATOM    267  HB2 ALA A  23       5.985   3.125  -3.755  1.00  0.00           H  
ATOM    268  HB3 ALA A  23       6.392   2.713  -2.062  1.00  0.00           H  
ATOM    269  N   ILE A  24       5.978   0.018  -5.027  1.00  0.00           N  
ATOM    270  CA  ILE A  24       5.654  -0.595  -6.311  1.00  0.00           C  
ATOM    271  C   ILE A  24       4.733   0.422  -6.939  1.00  0.00           C  
ATOM    272  O   ILE A  24       3.524   0.267  -6.869  1.00  0.00           O  
ATOM    273  CB  ILE A  24       4.988  -1.989  -6.086  1.00  0.00           C  
ATOM    274  CG1 ILE A  24       5.950  -2.935  -5.299  1.00  0.00           C  
ATOM    275  CG2 ILE A  24       4.556  -2.622  -7.441  1.00  0.00           C  
ATOM    276  CD1 ILE A  24       5.201  -4.073  -4.553  1.00  0.00           C  
ATOM    277  H   ILE A  24       5.387  -0.188  -4.244  1.00  0.00           H  
ATOM    278  HA  ILE A  24       6.551  -0.753  -6.930  1.00  0.00           H  
ATOM    279  HB  ILE A  24       4.084  -1.837  -5.475  1.00  0.00           H  
ATOM    280 HG12 ILE A  24       6.695  -3.363  -5.989  1.00  0.00           H  
ATOM    281 HG13 ILE A  24       6.504  -2.371  -4.531  1.00  0.00           H  
ATOM    282 HG21 ILE A  24       5.433  -2.767  -8.090  1.00  0.00           H  
ATOM    283 HG22 ILE A  24       3.840  -1.978  -7.972  1.00  0.00           H  
ATOM    284 HG23 ILE A  24       4.072  -3.597  -7.286  1.00  0.00           H  
ATOM    285 HD11 ILE A  24       4.637  -4.714  -5.246  1.00  0.00           H  
ATOM    286 HD12 ILE A  24       4.501  -3.645  -3.819  1.00  0.00           H  
ATOM    287 HD13 ILE A  24       5.923  -4.705  -4.011  1.00  0.00           H  
ATOM    288  N   ASP A  25       5.311   1.493  -7.537  1.00  0.00           N  
ATOM    289  CA  ASP A  25       4.483   2.560  -8.094  1.00  0.00           C  
ATOM    290  C   ASP A  25       4.178   2.206  -9.531  1.00  0.00           C  
ATOM    291  O   ASP A  25       5.119   1.962 -10.270  1.00  0.00           O  
ATOM    292  CB  ASP A  25       5.149   3.959  -7.966  1.00  0.00           C  
ATOM    293  CG  ASP A  25       6.517   3.990  -8.602  1.00  0.00           C  
ATOM    294  OD1 ASP A  25       7.506   3.642  -7.899  1.00  0.00           O  
ATOM    295  OD2 ASP A  25       6.614   4.358  -9.805  1.00  0.00           O  
ATOM    296  H   ASP A  25       6.307   1.574  -7.607  1.00  0.00           H  
ATOM    297  HA  ASP A  25       3.552   2.617  -7.516  1.00  0.00           H  
ATOM    298  HB2 ASP A  25       4.503   4.717  -8.438  1.00  0.00           H  
ATOM    299  HB3 ASP A  25       5.246   4.219  -6.898  1.00  0.00           H  
ATOM    300  N   ARG A  26       2.885   2.160  -9.941  1.00  0.00           N  
ATOM    301  CA  ARG A  26       2.549   1.764 -11.309  1.00  0.00           C  
ATOM    302  C   ARG A  26       2.528   2.999 -12.182  1.00  0.00           C  
ATOM    303  O   ARG A  26       3.297   3.067 -13.128  1.00  0.00           O  
ATOM    304  CB  ARG A  26       1.169   1.047 -11.406  1.00  0.00           C  
ATOM    305  CG  ARG A  26       1.134  -0.323 -10.671  1.00  0.00           C  
ATOM    306  CD  ARG A  26      -0.279  -0.985 -10.762  1.00  0.00           C  
ATOM    307  NE  ARG A  26      -0.486  -1.839 -11.937  1.00  0.00           N  
ATOM    308  CZ  ARG A  26      -1.658  -2.331 -12.290  1.00  0.00           C  
ATOM    309  NH1 ARG A  26      -2.773  -2.087 -11.637  1.00  0.00           N  
ATOM    310  NH2 ARG A  26      -1.724  -3.113 -13.345  1.00  0.00           N  
ATOM    311  H   ARG A  26       2.130   2.409  -9.330  1.00  0.00           H  
ATOM    312  HA  ARG A  26       3.298   1.056 -11.701  1.00  0.00           H  
ATOM    313  HB2 ARG A  26       0.393   1.689 -10.959  1.00  0.00           H  
ATOM    314  HB3 ARG A  26       0.910   0.892 -12.467  1.00  0.00           H  
ATOM    315  HG2 ARG A  26       1.907  -0.997 -11.075  1.00  0.00           H  
ATOM    316  HG3 ARG A  26       1.381  -0.137  -9.612  1.00  0.00           H  
ATOM    317  HD2 ARG A  26      -0.427  -1.631  -9.881  1.00  0.00           H  
ATOM    318  HD3 ARG A  26      -1.019  -0.172 -10.733  1.00  0.00           H  
ATOM    319  HE  ARG A  26       0.344  -2.067 -12.507  1.00  0.00           H  
ATOM    320 HH11 ARG A  26      -2.794  -1.503 -10.793  1.00  0.00           H  
ATOM    321 HH12 ARG A  26      -3.671  -2.482 -11.956  1.00  0.00           H  
ATOM    322 HH21 ARG A  26      -0.881  -3.353 -13.887  1.00  0.00           H  
ATOM    323 HH22 ARG A  26      -2.621  -3.521 -13.652  1.00  0.00           H  
ATOM    324  N   ASN A  27       1.636   3.974 -11.887  1.00  0.00           N  
ATOM    325  CA  ASN A  27       1.418   5.096 -12.794  1.00  0.00           C  
ATOM    326  C   ASN A  27       1.094   6.337 -11.986  1.00  0.00           C  
ATOM    327  O   ASN A  27       0.026   6.905 -12.153  1.00  0.00           O  
ATOM    328  CB  ASN A  27       0.256   4.636 -13.718  1.00  0.00           C  
ATOM    329  CG  ASN A  27       0.191   5.437 -14.994  1.00  0.00           C  
ATOM    330  OD1 ASN A  27      -0.642   6.323 -15.102  1.00  0.00           O  
ATOM    331  ND2 ASN A  27       1.063   5.136 -15.982  1.00  0.00           N  
ATOM    332  H   ASN A  27       1.019   3.892 -11.109  1.00  0.00           H  
ATOM    333  HA  ASN A  27       2.315   5.315 -13.395  1.00  0.00           H  
ATOM    334  HB2 ASN A  27       0.414   3.581 -13.997  1.00  0.00           H  
ATOM    335  HB3 ASN A  27      -0.704   4.679 -13.178  1.00  0.00           H  
ATOM    336 HD21 ASN A  27       1.741   4.407 -15.875  1.00  0.00           H  
ATOM    337 HD22 ASN A  27       1.035   5.644 -16.844  1.00  0.00           H  
ATOM    338  N   GLY A  28       2.017   6.755 -11.084  1.00  0.00           N  
ATOM    339  CA  GLY A  28       1.730   7.858 -10.163  1.00  0.00           C  
ATOM    340  C   GLY A  28       1.097   7.393  -8.867  1.00  0.00           C  
ATOM    341  O   GLY A  28       0.929   8.225  -7.988  1.00  0.00           O  
ATOM    342  H   GLY A  28       2.888   6.268 -10.975  1.00  0.00           H  
ATOM    343  HA2 GLY A  28       2.666   8.384  -9.914  1.00  0.00           H  
ATOM    344  HA3 GLY A  28       1.058   8.595 -10.629  1.00  0.00           H  
ATOM    345  N   LEU A  29       0.723   6.095  -8.738  1.00  0.00           N  
ATOM    346  CA  LEU A  29       0.013   5.588  -7.564  1.00  0.00           C  
ATOM    347  C   LEU A  29       0.924   4.629  -6.819  1.00  0.00           C  
ATOM    348  O   LEU A  29       1.402   3.706  -7.456  1.00  0.00           O  
ATOM    349  CB  LEU A  29      -1.265   4.876  -8.081  1.00  0.00           C  
ATOM    350  CG  LEU A  29      -2.177   4.362  -6.933  1.00  0.00           C  
ATOM    351  CD1 LEU A  29      -2.764   5.537  -6.094  1.00  0.00           C  
ATOM    352  CD2 LEU A  29      -3.325   3.492  -7.508  1.00  0.00           C  
ATOM    353  H   LEU A  29       0.926   5.424  -9.442  1.00  0.00           H  
ATOM    354  HA  LEU A  29      -0.286   6.430  -6.923  1.00  0.00           H  
ATOM    355  HB2 LEU A  29      -1.833   5.573  -8.717  1.00  0.00           H  
ATOM    356  HB3 LEU A  29      -0.957   4.026  -8.711  1.00  0.00           H  
ATOM    357  HG  LEU A  29      -1.554   3.699  -6.315  1.00  0.00           H  
ATOM    358 HD11 LEU A  29      -3.148   6.326  -6.759  1.00  0.00           H  
ATOM    359 HD12 LEU A  29      -2.007   5.974  -5.426  1.00  0.00           H  
ATOM    360 HD13 LEU A  29      -3.602   5.209  -5.468  1.00  0.00           H  
ATOM    361 HD21 LEU A  29      -2.914   2.698  -8.147  1.00  0.00           H  
ATOM    362 HD22 LEU A  29      -4.007   4.112  -8.106  1.00  0.00           H  
ATOM    363 HD23 LEU A  29      -3.897   3.018  -6.695  1.00  0.00           H  
ATOM    364  N   TYR A  30       1.201   4.843  -5.509  1.00  0.00           N  
ATOM    365  CA  TYR A  30       2.198   4.057  -4.763  1.00  0.00           C  
ATOM    366  C   TYR A  30       1.547   2.869  -4.093  1.00  0.00           C  
ATOM    367  O   TYR A  30       0.568   3.122  -3.408  1.00  0.00           O  
ATOM    368  CB  TYR A  30       2.982   4.909  -3.716  1.00  0.00           C  
ATOM    369  CG  TYR A  30       2.763   6.380  -4.077  1.00  0.00           C  
ATOM    370  CD1 TYR A  30       3.500   6.971  -5.104  1.00  0.00           C  
ATOM    371  CD2 TYR A  30       1.774   7.116  -3.415  1.00  0.00           C  
ATOM    372  CE1 TYR A  30       3.189   8.267  -5.525  1.00  0.00           C  
ATOM    373  CE2 TYR A  30       1.418   8.381  -3.883  1.00  0.00           C  
ATOM    374  CZ  TYR A  30       2.127   8.965  -4.941  1.00  0.00           C  
ATOM    375  OH  TYR A  30       1.794  10.237  -5.421  1.00  0.00           O  
ATOM    376  H   TYR A  30       0.648   5.503  -5.009  1.00  0.00           H  
ATOM    377  HA  TYR A  30       2.954   3.710  -5.483  1.00  0.00           H  
ATOM    378  HB2 TYR A  30       2.620   4.723  -2.693  1.00  0.00           H  
ATOM    379  HB3 TYR A  30       4.061   4.691  -3.714  1.00  0.00           H  
ATOM    380  HD1 TYR A  30       4.302   6.419  -5.583  1.00  0.00           H  
ATOM    381  HD2 TYR A  30       1.268   6.698  -2.552  1.00  0.00           H  
ATOM    382  HE1 TYR A  30       3.775   8.727  -6.312  1.00  0.00           H  
ATOM    383  HE2 TYR A  30       0.592   8.900  -3.412  1.00  0.00           H  
ATOM    384  HH  TYR A  30       1.045  10.632  -4.988  1.00  0.00           H  
ATOM    385  N   TYR A  31       2.038   1.614  -4.238  1.00  0.00           N  
ATOM    386  CA  TYR A  31       1.535   0.505  -3.419  1.00  0.00           C  
ATOM    387  C   TYR A  31       2.600  -0.011  -2.483  1.00  0.00           C  
ATOM    388  O   TYR A  31       3.705  -0.247  -2.945  1.00  0.00           O  
ATOM    389  CB  TYR A  31       1.025  -0.680  -4.266  1.00  0.00           C  
ATOM    390  CG  TYR A  31      -0.174  -0.241  -5.114  1.00  0.00           C  
ATOM    391  CD1 TYR A  31      -1.416  -0.074  -4.503  1.00  0.00           C  
ATOM    392  CD2 TYR A  31      -0.059  -0.017  -6.491  1.00  0.00           C  
ATOM    393  CE1 TYR A  31      -2.565   0.148  -5.268  1.00  0.00           C  
ATOM    394  CE2 TYR A  31      -1.201   0.245  -7.254  1.00  0.00           C  
ATOM    395  CZ  TYR A  31      -2.465   0.245  -6.658  1.00  0.00           C  
ATOM    396  OH  TYR A  31      -3.632   0.335  -7.421  1.00  0.00           O  
ATOM    397  H   TYR A  31       2.820   1.437  -4.837  1.00  0.00           H  
ATOM    398  HA  TYR A  31       0.705   0.848  -2.783  1.00  0.00           H  
ATOM    399  HB2 TYR A  31       1.852  -1.064  -4.875  1.00  0.00           H  
ATOM    400  HB3 TYR A  31       0.703  -1.505  -3.614  1.00  0.00           H  
ATOM    401  HD1 TYR A  31      -1.498  -0.125  -3.427  1.00  0.00           H  
ATOM    402  HD2 TYR A  31       0.909  -0.050  -6.971  1.00  0.00           H  
ATOM    403  HE1 TYR A  31      -3.534   0.234  -4.790  1.00  0.00           H  
ATOM    404  HE2 TYR A  31      -1.100   0.445  -8.313  1.00  0.00           H  
ATOM    405  HH  TYR A  31      -3.505   0.118  -8.338  1.00  0.00           H  
ATOM    406  N   CYS A  32       2.298  -0.196  -1.175  1.00  0.00           N  
ATOM    407  CA  CYS A  32       3.284  -0.725  -0.251  1.00  0.00           C  
ATOM    408  C   CYS A  32       3.692  -2.118  -0.701  1.00  0.00           C  
ATOM    409  O   CYS A  32       4.821  -2.302  -1.131  1.00  0.00           O  
ATOM    410  CB  CYS A  32       2.872  -0.551   1.251  1.00  0.00           C  
ATOM    411  SG  CYS A  32       1.467  -1.553   1.776  1.00  0.00           S  
ATOM    412  H   CYS A  32       1.381  -0.068  -0.820  1.00  0.00           H  
ATOM    413  HA  CYS A  32       4.176  -0.092  -0.385  1.00  0.00           H  
ATOM    414  HB2 CYS A  32       3.714  -0.842   1.901  1.00  0.00           H  
ATOM    415  HB3 CYS A  32       2.569   0.479   1.474  1.00  0.00           H  
ATOM    416  N   SER A  33       2.787  -3.117  -0.574  1.00  0.00           N  
ATOM    417  CA  SER A  33       3.066  -4.503  -0.951  1.00  0.00           C  
ATOM    418  C   SER A  33       2.420  -4.821  -2.278  1.00  0.00           C  
ATOM    419  O   SER A  33       1.650  -4.006  -2.763  1.00  0.00           O  
ATOM    420  CB  SER A  33       2.555  -5.423   0.190  1.00  0.00           C  
ATOM    421  OG  SER A  33       2.746  -6.819  -0.095  1.00  0.00           O  
ATOM    422  H   SER A  33       1.831  -2.904  -0.387  1.00  0.00           H  
ATOM    423  HA  SER A  33       4.151  -4.675  -1.053  1.00  0.00           H  
ATOM    424  HB2 SER A  33       3.064  -5.154   1.132  1.00  0.00           H  
ATOM    425  HB3 SER A  33       1.476  -5.261   0.331  1.00  0.00           H  
ATOM    426  HG  SER A  33       3.666  -7.060  -0.135  1.00  0.00           H  
ATOM    427  N   GLU A  34       2.668  -6.022  -2.850  1.00  0.00           N  
ATOM    428  CA  GLU A  34       1.804  -6.497  -3.928  1.00  0.00           C  
ATOM    429  C   GLU A  34       0.370  -6.491  -3.446  1.00  0.00           C  
ATOM    430  O   GLU A  34      -0.494  -6.189  -4.251  1.00  0.00           O  
ATOM    431  CB  GLU A  34       2.096  -7.955  -4.394  1.00  0.00           C  
ATOM    432  CG  GLU A  34       3.162  -8.029  -5.518  1.00  0.00           C  
ATOM    433  CD  GLU A  34       3.370  -9.436  -6.027  1.00  0.00           C  
ATOM    434  OE1 GLU A  34       2.595 -10.355  -5.643  1.00  0.00           O  
ATOM    435  OE2 GLU A  34       4.318  -9.636  -6.833  1.00  0.00           O  
ATOM    436  H   GLU A  34       3.371  -6.635  -2.491  1.00  0.00           H  
ATOM    437  HA  GLU A  34       1.893  -5.805  -4.782  1.00  0.00           H  
ATOM    438  HB2 GLU A  34       2.392  -8.579  -3.535  1.00  0.00           H  
ATOM    439  HB3 GLU A  34       1.179  -8.395  -4.818  1.00  0.00           H  
ATOM    440  HG2 GLU A  34       2.831  -7.419  -6.375  1.00  0.00           H  
ATOM    441  HG3 GLU A  34       4.116  -7.623  -5.148  1.00  0.00           H  
ATOM    442  N   ALA A  35       0.069  -6.820  -2.170  1.00  0.00           N  
ATOM    443  CA  ALA A  35      -1.334  -6.953  -1.778  1.00  0.00           C  
ATOM    444  C   ALA A  35      -2.101  -5.668  -1.996  1.00  0.00           C  
ATOM    445  O   ALA A  35      -3.238  -5.753  -2.432  1.00  0.00           O  
ATOM    446  CB  ALA A  35      -1.481  -7.331  -0.285  1.00  0.00           C  
ATOM    447  H   ALA A  35       0.784  -7.057  -1.511  1.00  0.00           H  
ATOM    448  HA  ALA A  35      -1.778  -7.764  -2.381  1.00  0.00           H  
ATOM    449  HB1 ALA A  35      -2.533  -7.545  -0.047  1.00  0.00           H  
ATOM    450  HB2 ALA A  35      -1.144  -6.484   0.326  1.00  0.00           H  
ATOM    451  HB3 ALA A  35      -0.880  -8.220  -0.038  1.00  0.00           H  
ATOM    452  N   CYS A  36      -1.521  -4.474  -1.728  1.00  0.00           N  
ATOM    453  CA  CYS A  36      -2.266  -3.241  -1.991  1.00  0.00           C  
ATOM    454  C   CYS A  36      -2.304  -2.995  -3.487  1.00  0.00           C  
ATOM    455  O   CYS A  36      -3.232  -2.332  -3.924  1.00  0.00           O  
ATOM    456  CB  CYS A  36      -1.672  -2.015  -1.242  1.00  0.00           C  
ATOM    457  SG  CYS A  36      -1.601  -2.374   0.537  1.00  0.00           S  
ATOM    458  H   CYS A  36      -0.584  -4.417  -1.377  1.00  0.00           H  
ATOM    459  HA  CYS A  36      -3.301  -3.360  -1.629  1.00  0.00           H  
ATOM    460  HB2 CYS A  36      -0.649  -1.808  -1.587  1.00  0.00           H  
ATOM    461  HB3 CYS A  36      -2.297  -1.120  -1.381  1.00  0.00           H  
ATOM    462  N   ALA A  37      -1.362  -3.538  -4.297  1.00  0.00           N  
ATOM    463  CA  ALA A  37      -1.428  -3.354  -5.749  1.00  0.00           C  
ATOM    464  C   ALA A  37      -2.445  -4.297  -6.352  1.00  0.00           C  
ATOM    465  O   ALA A  37      -3.113  -3.900  -7.295  1.00  0.00           O  
ATOM    466  CB  ALA A  37      -0.059  -3.635  -6.423  1.00  0.00           C  
ATOM    467  H   ALA A  37      -0.595  -4.062  -3.928  1.00  0.00           H  
ATOM    468  HA  ALA A  37      -1.718  -2.322  -5.986  1.00  0.00           H  
ATOM    469  HB1 ALA A  37      -0.100  -3.387  -7.495  1.00  0.00           H  
ATOM    470  HB2 ALA A  37       0.211  -4.696  -6.323  1.00  0.00           H  
ATOM    471  HB3 ALA A  37       0.730  -3.029  -5.955  1.00  0.00           H  
ATOM    472  N   ASP A  38      -2.609  -5.528  -5.819  1.00  0.00           N  
ATOM    473  CA  ASP A  38      -3.691  -6.389  -6.291  1.00  0.00           C  
ATOM    474  C   ASP A  38      -4.998  -5.871  -5.737  1.00  0.00           C  
ATOM    475  O   ASP A  38      -6.018  -6.069  -6.378  1.00  0.00           O  
ATOM    476  CB  ASP A  38      -3.518  -7.842  -5.773  1.00  0.00           C  
ATOM    477  CG  ASP A  38      -2.241  -8.441  -6.302  1.00  0.00           C  
ATOM    478  OD1 ASP A  38      -2.223  -8.847  -7.496  1.00  0.00           O  
ATOM    479  OD2 ASP A  38      -1.248  -8.512  -5.531  1.00  0.00           O  
ATOM    480  H   ASP A  38      -2.041  -5.847  -5.061  1.00  0.00           H  
ATOM    481  HA  ASP A  38      -3.716  -6.405  -7.394  1.00  0.00           H  
ATOM    482  HB2 ASP A  38      -3.515  -7.850  -4.670  1.00  0.00           H  
ATOM    483  HB3 ASP A  38      -4.359  -8.467  -6.112  1.00  0.00           H  
ATOM    484  N   GLY A  39      -4.992  -5.209  -4.555  1.00  0.00           N  
ATOM    485  CA  GLY A  39      -6.243  -4.807  -3.923  1.00  0.00           C  
ATOM    486  C   GLY A  39      -6.780  -5.939  -3.081  1.00  0.00           C  
ATOM    487  O   GLY A  39      -7.988  -6.117  -3.056  1.00  0.00           O  
ATOM    488  H   GLY A  39      -4.149  -5.026  -4.050  1.00  0.00           H  
ATOM    489  HA2 GLY A  39      -6.070  -3.942  -3.260  1.00  0.00           H  
ATOM    490  HA3 GLY A  39      -6.987  -4.496  -4.676  1.00  0.00           H  
ATOM    491  N   HIS A  40      -5.905  -6.694  -2.371  1.00  0.00           N  
ATOM    492  CA  HIS A  40      -6.381  -7.692  -1.414  1.00  0.00           C  
ATOM    493  C   HIS A  40      -7.471  -8.534  -2.030  1.00  0.00           C  
ATOM    494  O   HIS A  40      -8.528  -8.682  -1.439  1.00  0.00           O  
ATOM    495  CB  HIS A  40      -6.856  -6.904  -0.167  1.00  0.00           C  
ATOM    496  CG  HIS A  40      -5.783  -5.944   0.285  1.00  0.00           C  
ATOM    497  ND1 HIS A  40      -4.752  -6.323   1.008  1.00  0.00           N  
ATOM    498  CD2 HIS A  40      -5.734  -4.616   0.040  1.00  0.00           C  
ATOM    499  CE1 HIS A  40      -4.026  -5.290   1.290  1.00  0.00           C  
ATOM    500  NE2 HIS A  40      -4.549  -4.278   0.776  1.00  0.00           N  
ATOM    501  H   HIS A  40      -4.916  -6.541  -2.409  1.00  0.00           H  
ATOM    502  HA  HIS A  40      -5.560  -8.370  -1.121  1.00  0.00           H  
ATOM    503  HB2 HIS A  40      -7.753  -6.321  -0.424  1.00  0.00           H  
ATOM    504  HB3 HIS A  40      -7.120  -7.588   0.657  1.00  0.00           H  
ATOM    505  HD1 HIS A  40      -4.568  -7.286   1.328  1.00  0.00           H  
ATOM    506  HD2 HIS A  40      -6.400  -3.973  -0.525  1.00  0.00           H  
ATOM    507  HE1 HIS A  40      -3.120  -5.253   1.886  1.00  0.00           H  
ATOM    508  N   THR A  41      -7.237  -9.059  -3.253  1.00  0.00           N  
ATOM    509  CA  THR A  41      -8.312  -9.737  -3.974  1.00  0.00           C  
ATOM    510  C   THR A  41      -8.805 -10.916  -3.173  1.00  0.00           C  
ATOM    511  O   THR A  41      -8.006 -11.527  -2.485  1.00  0.00           O  
ATOM    512  CB  THR A  41      -7.878 -10.259  -5.373  1.00  0.00           C  
ATOM    513  OG1 THR A  41      -6.680 -11.032  -5.192  1.00  0.00           O  
ATOM    514  CG2 THR A  41      -7.647  -9.085  -6.363  1.00  0.00           C  
ATOM    515  H   THR A  41      -6.341  -8.962  -3.692  1.00  0.00           H  
ATOM    516  HA  THR A  41      -9.137  -9.014  -4.100  1.00  0.00           H  
ATOM    517  HB  THR A  41      -8.685 -10.900  -5.779  1.00  0.00           H  
ATOM    518  HG1 THR A  41      -6.366 -11.414  -6.007  1.00  0.00           H  
ATOM    519 HG21 THR A  41      -7.334  -9.473  -7.343  1.00  0.00           H  
ATOM    520 HG22 THR A  41      -6.861  -8.422  -5.981  1.00  0.00           H  
ATOM    521 HG23 THR A  41      -8.570  -8.500  -6.496  1.00  0.00           H  
ATOM    522  N   GLY A  42     -10.113 -11.256  -3.269  1.00  0.00           N  
ATOM    523  CA  GLY A  42     -10.631 -12.445  -2.598  1.00  0.00           C  
ATOM    524  C   GLY A  42     -10.404 -12.404  -1.106  1.00  0.00           C  
ATOM    525  O   GLY A  42     -11.295 -12.014  -0.370  1.00  0.00           O  
ATOM    526  H   GLY A  42     -10.751 -10.736  -3.846  1.00  0.00           H  
ATOM    527  HA2 GLY A  42     -11.716 -12.551  -2.788  1.00  0.00           H  
ATOM    528  HA3 GLY A  42     -10.148 -13.339  -3.026  1.00  0.00           H  
ATOM    529  N   GLY A  43      -9.215 -12.840  -0.633  1.00  0.00           N  
ATOM    530  CA  GLY A  43      -9.001 -13.057   0.796  1.00  0.00           C  
ATOM    531  C   GLY A  43      -8.868 -11.803   1.630  1.00  0.00           C  
ATOM    532  O   GLY A  43      -9.123 -10.699   1.171  1.00  0.00           O  
ATOM    533  H   GLY A  43      -8.471 -13.090  -1.254  1.00  0.00           H  
ATOM    534  HA2 GLY A  43      -9.865 -13.590   1.209  1.00  0.00           H  
ATOM    535  HA3 GLY A  43      -8.114 -13.700   0.943  1.00  0.00           H  
ATOM    536  N   SER A  44      -8.501 -12.022   2.923  1.00  0.00           N  
ATOM    537  CA  SER A  44      -8.728 -11.027   3.968  1.00  0.00           C  
ATOM    538  C   SER A  44      -7.826  -9.800   4.044  1.00  0.00           C  
ATOM    539  O   SER A  44      -8.201  -8.754   3.549  1.00  0.00           O  
ATOM    540  CB  SER A  44      -8.914 -11.761   5.327  1.00  0.00           C  
ATOM    541  OG  SER A  44      -9.728 -12.931   5.101  1.00  0.00           O  
ATOM    542  H   SER A  44      -8.208 -12.928   3.218  1.00  0.00           H  
ATOM    543  HA  SER A  44      -9.723 -10.616   3.762  1.00  0.00           H  
ATOM    544  HB2 SER A  44      -7.941 -12.089   5.727  1.00  0.00           H  
ATOM    545  HB3 SER A  44      -9.423 -11.110   6.057  1.00  0.00           H  
ATOM    546  HG  SER A  44      -9.835 -13.446   5.893  1.00  0.00           H  
ATOM    547  N   LYS A  45      -6.671  -9.891   4.750  1.00  0.00           N  
ATOM    548  CA  LYS A  45      -6.054  -8.697   5.329  1.00  0.00           C  
ATOM    549  C   LYS A  45      -5.069  -8.036   4.418  1.00  0.00           C  
ATOM    550  O   LYS A  45      -4.512  -8.692   3.556  1.00  0.00           O  
ATOM    551  CB  LYS A  45      -5.224  -8.875   6.641  1.00  0.00           C  
ATOM    552  CG  LYS A  45      -5.682 -10.017   7.600  1.00  0.00           C  
ATOM    553  CD  LYS A  45      -7.173  -9.939   8.008  1.00  0.00           C  
ATOM    554  CE  LYS A  45      -7.602 -11.229   8.768  1.00  0.00           C  
ATOM    555  NZ  LYS A  45      -9.069 -11.306   8.984  1.00  0.00           N  
ATOM    556  H   LYS A  45      -6.243 -10.760   4.959  1.00  0.00           H  
ATOM    557  HA  LYS A  45      -6.882  -8.001   5.553  1.00  0.00           H  
ATOM    558  HB2 LYS A  45      -4.146  -9.076   6.464  1.00  0.00           H  
ATOM    559  HB3 LYS A  45      -5.260  -7.891   7.148  1.00  0.00           H  
ATOM    560  HG2 LYS A  45      -5.486 -10.991   7.133  1.00  0.00           H  
ATOM    561  HG3 LYS A  45      -5.106 -10.005   8.540  1.00  0.00           H  
ATOM    562  HD2 LYS A  45      -7.336  -9.057   8.649  1.00  0.00           H  
ATOM    563  HD3 LYS A  45      -7.785  -9.810   7.110  1.00  0.00           H  
ATOM    564  HE2 LYS A  45      -7.279 -12.117   8.201  1.00  0.00           H  
ATOM    565  HE3 LYS A  45      -7.064 -11.267   9.731  1.00  0.00           H  
ATOM    566  HZ1 LYS A  45      -9.519 -12.106   8.416  1.00  0.00           H  
ATOM    567  HZ2 LYS A  45      -9.307 -11.562  10.006  1.00  0.00           H  
ATOM    568  HZ3 LYS A  45      -9.611 -10.405   8.730  1.00  0.00           H  
ATOM    569  N   GLY A  46      -4.783  -6.753   4.720  1.00  0.00           N  
ATOM    570  CA  GLY A  46      -3.399  -6.345   4.936  1.00  0.00           C  
ATOM    571  C   GLY A  46      -2.288  -6.683   3.979  1.00  0.00           C  
ATOM    572  O   GLY A  46      -2.443  -7.382   2.993  1.00  0.00           O  
ATOM    573  H   GLY A  46      -5.454  -6.183   5.206  1.00  0.00           H  
ATOM    574  HA2 GLY A  46      -3.384  -5.248   4.981  1.00  0.00           H  
ATOM    575  HA3 GLY A  46      -3.114  -6.740   5.919  1.00  0.00           H  
ATOM    576  N   CYS A  47      -1.141  -6.048   4.315  1.00  0.00           N  
ATOM    577  CA  CYS A  47      -0.020  -5.876   3.400  1.00  0.00           C  
ATOM    578  C   CYS A  47       1.255  -6.586   3.782  1.00  0.00           C  
ATOM    579  O   CYS A  47       2.313  -6.099   3.420  1.00  0.00           O  
ATOM    580  CB  CYS A  47       0.034  -4.358   3.077  1.00  0.00           C  
ATOM    581  SG  CYS A  47      -0.100  -3.377   4.606  1.00  0.00           S  
ATOM    582  H   CYS A  47      -1.026  -5.677   5.238  1.00  0.00           H  
ATOM    583  HA  CYS A  47      -0.243  -6.381   2.453  1.00  0.00           H  
ATOM    584  HB2 CYS A  47       0.953  -4.110   2.524  1.00  0.00           H  
ATOM    585  HB3 CYS A  47      -0.839  -4.089   2.466  1.00  0.00           H  
ATOM    586  N   GLY A  48       1.218  -7.729   4.503  1.00  0.00           N  
ATOM    587  CA  GLY A  48       2.459  -8.461   4.785  1.00  0.00           C  
ATOM    588  C   GLY A  48       3.327  -7.880   5.881  1.00  0.00           C  
ATOM    589  O   GLY A  48       4.211  -8.604   6.310  1.00  0.00           O  
ATOM    590  H   GLY A  48       0.347  -8.100   4.839  1.00  0.00           H  
ATOM    591  HA2 GLY A  48       2.203  -9.493   5.081  1.00  0.00           H  
ATOM    592  HA3 GLY A  48       3.058  -8.528   3.866  1.00  0.00           H  
ATOM    593  N   HIS A  49       3.124  -6.627   6.352  1.00  0.00           N  
ATOM    594  CA  HIS A  49       3.853  -6.105   7.512  1.00  0.00           C  
ATOM    595  C   HIS A  49       2.819  -5.933   8.610  1.00  0.00           C  
ATOM    596  O   HIS A  49       1.690  -6.350   8.406  1.00  0.00           O  
ATOM    597  CB  HIS A  49       4.799  -4.932   7.109  1.00  0.00           C  
ATOM    598  CG  HIS A  49       4.232  -4.144   5.962  1.00  0.00           C  
ATOM    599  ND1 HIS A  49       4.694  -4.149   4.727  1.00  0.00           N  
ATOM    600  CD2 HIS A  49       3.156  -3.355   6.070  1.00  0.00           C  
ATOM    601  CE1 HIS A  49       3.941  -3.396   3.984  1.00  0.00           C  
ATOM    602  NE2 HIS A  49       3.046  -2.914   4.711  1.00  0.00           N  
ATOM    603  H   HIS A  49       2.400  -6.047   5.980  1.00  0.00           H  
ATOM    604  HA  HIS A  49       4.498  -6.877   7.955  1.00  0.00           H  
ATOM    605  HB2 HIS A  49       5.000  -4.248   7.944  1.00  0.00           H  
ATOM    606  HB3 HIS A  49       5.769  -5.334   6.778  1.00  0.00           H  
ATOM    607  HD1 HIS A  49       5.510  -4.679   4.392  1.00  0.00           H  
ATOM    608  HD2 HIS A  49       2.525  -3.127   6.929  1.00  0.00           H  
ATOM    609  HE1 HIS A  49       4.033  -3.209   2.914  1.00  0.00           H  
ATOM    610  N   THR A  50       3.166  -5.409   9.808  1.00  0.00           N  
ATOM    611  CA  THR A  50       2.374  -5.742  10.993  1.00  0.00           C  
ATOM    612  C   THR A  50       1.048  -5.019  11.136  1.00  0.00           C  
ATOM    613  O   THR A  50       1.017  -3.811  10.967  1.00  0.00           O  
ATOM    614  CB  THR A  50       3.176  -5.633  12.325  1.00  0.00           C  
ATOM    615  OG1 THR A  50       2.400  -6.223  13.388  1.00  0.00           O  
ATOM    616  CG2 THR A  50       3.491  -4.174  12.747  1.00  0.00           C  
ATOM    617  H   THR A  50       4.030  -4.922   9.924  1.00  0.00           H  
ATOM    618  HA  THR A  50       2.184  -6.826  10.906  1.00  0.00           H  
ATOM    619  HB  THR A  50       4.098  -6.233  12.289  1.00  0.00           H  
ATOM    620  HG1 THR A  50       1.535  -5.845  13.493  1.00  0.00           H  
ATOM    621 HG21 THR A  50       2.576  -3.634  13.031  1.00  0.00           H  
ATOM    622 HG22 THR A  50       3.986  -3.614  11.942  1.00  0.00           H  
ATOM    623 HG23 THR A  50       4.161  -4.184  13.618  1.00  0.00           H  
ATOM    624  N   GLY A  51      -0.046  -5.745  11.484  1.00  0.00           N  
ATOM    625  CA  GLY A  51      -1.272  -5.103  11.952  1.00  0.00           C  
ATOM    626  C   GLY A  51      -1.929  -4.085  11.054  1.00  0.00           C  
ATOM    627  O   GLY A  51      -2.756  -3.349  11.571  1.00  0.00           O  
ATOM    628  H   GLY A  51      -0.006  -6.747  11.542  1.00  0.00           H  
ATOM    629  HA2 GLY A  51      -2.042  -5.869  12.141  1.00  0.00           H  
ATOM    630  HA3 GLY A  51      -1.044  -4.624  12.918  1.00  0.00           H  
ATOM    631  N   CYS A  52      -1.626  -4.023   9.738  1.00  0.00           N  
ATOM    632  CA  CYS A  52      -2.371  -3.113   8.872  1.00  0.00           C  
ATOM    633  C   CYS A  52      -3.558  -3.884   8.337  1.00  0.00           C  
ATOM    634  O   CYS A  52      -3.329  -4.773   7.534  1.00  0.00           O  
ATOM    635  CB  CYS A  52      -1.511  -2.626   7.685  1.00  0.00           C  
ATOM    636  SG  CYS A  52      -2.627  -1.555   6.741  1.00  0.00           S  
ATOM    637  H   CYS A  52      -0.961  -4.648   9.323  1.00  0.00           H  
ATOM    638  HA  CYS A  52      -2.684  -2.209   9.423  1.00  0.00           H  
ATOM    639  HB2 CYS A  52      -0.634  -2.049   8.016  1.00  0.00           H  
ATOM    640  HB3 CYS A  52      -1.178  -3.483   7.085  1.00  0.00           H  
ATOM    641  N   ASN A  53      -4.812  -3.595   8.757  1.00  0.00           N  
ATOM    642  CA  ASN A  53      -5.967  -4.346   8.251  1.00  0.00           C  
ATOM    643  C   ASN A  53      -6.568  -3.700   7.022  1.00  0.00           C  
ATOM    644  O   ASN A  53      -7.776  -3.526   6.997  1.00  0.00           O  
ATOM    645  CB  ASN A  53      -6.957  -4.552   9.432  1.00  0.00           C  
ATOM    646  CG  ASN A  53      -7.881  -5.736   9.269  1.00  0.00           C  
ATOM    647  OD1 ASN A  53      -8.064  -6.218   8.162  1.00  0.00           O  
ATOM    648  ND2 ASN A  53      -8.477  -6.232  10.377  1.00  0.00           N  
ATOM    649  H   ASN A  53      -4.984  -2.831   9.382  1.00  0.00           H  
ATOM    650  HA  ASN A  53      -5.664  -5.351   7.917  1.00  0.00           H  
ATOM    651  HB2 ASN A  53      -6.357  -4.735  10.339  1.00  0.00           H  
ATOM    652  HB3 ASN A  53      -7.547  -3.636   9.597  1.00  0.00           H  
ATOM    653 HD21 ASN A  53      -8.325  -5.821  11.278  1.00  0.00           H  
ATOM    654 HD22 ASN A  53      -9.077  -7.030  10.309  1.00  0.00           H  
ATOM    655  N   CYS A  54      -5.762  -3.321   6.000  1.00  0.00           N  
ATOM    656  CA  CYS A  54      -6.326  -2.641   4.832  1.00  0.00           C  
ATOM    657  C   CYS A  54      -6.969  -3.581   3.840  1.00  0.00           C  
ATOM    658  O   CYS A  54      -6.358  -4.575   3.483  1.00  0.00           O  
ATOM    659  CB  CYS A  54      -5.319  -1.784   4.032  1.00  0.00           C  
ATOM    660  SG  CYS A  54      -3.921  -2.796   3.482  1.00  0.00           S  
ATOM    661  H   CYS A  54      -4.780  -3.496   6.028  1.00  0.00           H  
ATOM    662  HA  CYS A  54      -7.070  -1.933   5.227  1.00  0.00           H  
ATOM    663  HB2 CYS A  54      -5.796  -1.354   3.142  1.00  0.00           H  
ATOM    664  HB3 CYS A  54      -4.978  -0.981   4.684  1.00  0.00           H  
ATOM    665  N   HIS A  55      -8.208  -3.264   3.394  1.00  0.00           N  
ATOM    666  CA  HIS A  55      -8.866  -4.023   2.334  1.00  0.00           C  
ATOM    667  C   HIS A  55      -8.517  -3.351   1.025  1.00  0.00           C  
ATOM    668  O   HIS A  55      -7.710  -2.437   1.059  1.00  0.00           O  
ATOM    669  CB  HIS A  55     -10.394  -4.034   2.611  1.00  0.00           C  
ATOM    670  CG  HIS A  55     -10.716  -4.040   4.090  1.00  0.00           C  
ATOM    671  ND1 HIS A  55     -11.859  -3.579   4.546  1.00  0.00           N  
ATOM    672  CD2 HIS A  55      -9.947  -4.458   5.117  1.00  0.00           C  
ATOM    673  CE1 HIS A  55     -11.876  -3.655   5.839  1.00  0.00           C  
ATOM    674  NE2 HIS A  55     -10.799  -4.163   6.236  1.00  0.00           N  
ATOM    675  H   HIS A  55      -8.664  -2.421   3.685  1.00  0.00           H  
ATOM    676  HA  HIS A  55      -8.501  -5.064   2.310  1.00  0.00           H  
ATOM    677  HB2 HIS A  55     -10.815  -3.102   2.199  1.00  0.00           H  
ATOM    678  HB3 HIS A  55     -10.890  -4.883   2.115  1.00  0.00           H  
ATOM    679  HD1 HIS A  55     -12.620  -3.196   3.968  1.00  0.00           H  
ATOM    680  HD2 HIS A  55      -8.945  -4.892   5.159  1.00  0.00           H  
ATOM    681  HE1 HIS A  55     -12.689  -3.324   6.481  1.00  0.00           H  
ATOM    682  N   GLY A  56      -9.126  -3.753  -0.117  1.00  0.00           N  
ATOM    683  CA  GLY A  56      -8.906  -3.057  -1.381  1.00  0.00           C  
ATOM    684  C   GLY A  56     -10.234  -2.630  -1.930  1.00  0.00           C  
ATOM    685  O   GLY A  56     -10.282  -2.100  -3.028  1.00  0.00           O  
ATOM    686  H   GLY A  56      -9.768  -4.525  -0.129  1.00  0.00           H  
ATOM    687  HA2 GLY A  56      -8.253  -2.171  -1.300  1.00  0.00           H  
ATOM    688  HA3 GLY A  56      -8.471  -3.746  -2.116  1.00  0.00           H  
TER     689      GLY A  56                                                      
HETATM  690 ZN    ZN A 101      -0.613  -0.442   1.522  1.00  0.00          ZN  
HETATM  691 ZN    ZN A 102      -3.882  -2.492   1.124  1.00  0.00          ZN  
HETATM  692 ZN    ZN A 103       1.592  -1.826   4.128  1.00  0.00          ZN  
HETATM  693 ZN    ZN A 104      -1.963  -1.903   4.498  1.00  0.00          ZN  
CONECT   77  690                                                                
CONECT   97  691                                                                
CONECT  136  690  693                                                           
CONECT  165  692                                                                
CONECT  411  690  692                                                           
CONECT  457  690  691                                                           
CONECT  500  691                                                                
CONECT  581  692  693                                                           
CONECT  602  692                                                                
CONECT  636  693                                                                
CONECT  660  691  693                                                           
CONECT  690   77  136  411  457                                                 
CONECT  691   97  457  500  660                                                 
CONECT  692  165  411  581  602                                                 
CONECT  693  136  581  636  660                                                 
MASTER      232    0    4    1    2    0    7    6  367    1   15    5          
END