HEADER    TRANSFERASE                             24-SEP-01   1K18              
TITLE     MINIMIZED AVERAGE NMR STRUCTURE OF THE ZINC FINGER DOMAIN OF HUMAN DNA
TITLE    2 POLYMERASE-ALPHA                                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT;                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: ZINC FINGER DOMAIN (RESIDUES 1347-1377);                   
COMPND   5 EC: 2.7.7.7;                                                         
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN HUMANS.              
KEYWDS    ZINC FINGER PROTEIN, DNA BINDING DOMAIN, POLYMERASE-ALPHA,            
KEYWDS   2 TRANSFERASE                                                          
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    F.EVANICS,L.MAURMANN,W.W.YANG,R.N.BOSE                                
REVDAT   4   23-FEB-22 1K18    1       REMARK                                   
REVDAT   3   24-FEB-09 1K18    1       VERSN                                    
REVDAT   2   13-APR-04 1K18    1       JRNL                                     
REVDAT   1   24-JUN-03 1K18    0                                                
JRNL        AUTH   F.EVANICS,L.MAURMANN,W.W.YANG,R.N.BOSE                       
JRNL        TITL   NUCLEAR MAGNETIC RESONANCE STRUCTURES OF THE ZINC FINGER     
JRNL        TITL 2 DOMAIN OF HUMAN DNA POLYMERASE-ALPHA.                        
JRNL        REF    BIOCHIM.BIOPHYS.ACTA          V.1651   163 2003              
JRNL        REFN                   ISSN 0006-3002                               
JRNL        PMID   14499601                                                     
JRNL        DOI    10.1016/S1570-9639(03)00266-8                                
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   E.VOLCKOVA,F.EVANICS,W.W.YANG,R.N.BOSE                       
REMARK   1  TITL   UNWINDING OF DNA POLYMERASES BY THE ANTITUMOR DRUG,          
REMARK   1  TITL 2 CIS-DIAMMINEDICHLOROPLATINUM(II)                             
REMARK   1  REF    J.CHEM.SOC.,CHEM.COMMUN.      V.  10  1128 2003              
REMARK   1  REFN                   ISSN 1359-7345                               
REMARK   1  DOI    10.1039/B301356A                                             
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XWINNMR 3.0, DISCOVER 97.0                           
REMARK   3   AUTHORS     : BRUKER (XWINNMR), MSI (DISCOVER)                     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 190 NOE DERIVED DISTANCE RESTRAINTS AND   
REMARK   3  4 DIHEDRAL ANGLE RESTRAINTS WERE USED FOR THE CALCULATIONS.         
REMARK   4                                                                      
REMARK   4 1K18 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000014432.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 296                                
REMARK 210  PH                             : 6.8                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 3MM ZINC FINGER PEPTIDE; 3.6 MM    
REMARK 210                                   ZN(II)NITRATE                      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; DQF-COSY; TOCSY          
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 500 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE; UNITY                      
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CORMA 5.2, MARDIGRAS 3.2, DGII     
REMARK 210                                   97.0                               
REMARK 210   METHOD USED                   : SIMULATED ANNEALING FOLLOWED BY    
REMARK 210                                   RESTRAINED MOLECULAR MECHANICS     
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR EXPERIMENTS. THE NOESY MIXING TIME WAS 200 MS.          
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    GLU A   3   CD    GLU A   3   OE2     0.108                       
REMARK 500    GLU A   4   CD    GLU A   4   OE2     0.108                       
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    GLU A   4   N   -  CA  -  C   ANGL. DEV. =  16.8 DEGREES          
REMARK 500    ARG A   8   NE  -  CZ  -  NH1 ANGL. DEV. =   4.2 DEGREES          
REMARK 500    ARG A  10   NE  -  CZ  -  NH1 ANGL. DEV. =   4.1 DEGREES          
REMARK 500    ARG A  12   NE  -  CZ  -  NH1 ANGL. DEV. =   4.5 DEGREES          
REMARK 500    ARG A  12   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 DEGREES          
REMARK 500    HIS A  13   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.4 DEGREES          
REMARK 500    ARG A  20   NE  -  CZ  -  NH1 ANGL. DEV. =   4.2 DEGREES          
REMARK 500    ARG A  20   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.0 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    GLU A   4        3.53    -66.40                                   
REMARK 500    PRO A  15       20.86    -66.39                                   
REMARK 500    PRO A  23       69.97   -113.27                                   
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 GLU A    4     PRO A    5                  138.79                    
REMARK 500 THR A   11     ARG A   12                  149.47                    
REMARK 500 LEU A   14     PRO A   15                  142.24                    
REMARK 500 PRO A   15     LEU A   16                  129.27                    
REMARK 500 GLN A   17     PHE A   18                  118.37                    
REMARK 500 SER A   19     ARG A   20                  134.59                    
REMARK 500 LEU A   24     CYS A   25                  -56.98                    
REMARK 500 PRO A   26     ALA A   27                   62.89                    
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    PHE A  18         0.10    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1K0P   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURES OF THE ZINC FINGER DOMAIN OF HUMAN DNA POLYMERASE-    
REMARK 900 ALPHA                                                                
DBREF  1K18 A    1    31  UNP    P09884   DPOA_HUMAN    1347   1377             
SEQRES   1 A   31  ILE CYS GLU GLU PRO THR CYS ARG ASN ARG THR ARG HIS          
SEQRES   2 A   31  LEU PRO LEU GLN PHE SER ARG THR GLY PRO LEU CYS PRO          
SEQRES   3 A   31  ALA CYS MET LYS ALA                                          
HELIX    1   1 GLU A    4  HIS A   13  1                                  10    
CISPEP   1 GLY A   22    PRO A   23          0         0.53                     
CISPEP   2 CYS A   25    PRO A   26          0        16.95                     
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   ILE A   1      10.087   2.718   4.005  1.00 30.00           N  
ATOM      2  CA  ILE A   1       9.247   1.497   4.152  1.00 30.00           C  
ATOM      3  C   ILE A   1       9.076   0.689   2.819  1.00 30.00           C  
ATOM      4  O   ILE A   1       9.488  -0.471   2.746  1.00 30.00           O  
ATOM      5  CB  ILE A   1       7.957   1.816   4.953  1.00 30.00           C  
ATOM      6  CG1 ILE A   1       8.174   2.275   6.420  1.00 30.00           C  
ATOM      7  CG2 ILE A   1       6.832   0.755   4.892  1.00 30.00           C  
ATOM      8  CD1 ILE A   1       7.191   3.400   6.775  1.00 30.00           C  
ATOM      9  H1  ILE A   1       9.606   3.416   3.428  1.00 30.00           H  
ATOM     10  H2  ILE A   1      10.215   3.161   4.923  1.00 30.00           H  
ATOM     11  HA  ILE A   1       9.769   0.857   4.828  1.00 30.00           H  
ATOM     12  HB  ILE A   1       7.603   2.686   4.439  1.00 30.00           H  
ATOM     13 HG12 ILE A   1       8.089   1.427   7.126  1.00 30.00           H  
ATOM     14 HG13 ILE A   1       9.202   2.662   6.568  1.00 30.00           H  
ATOM     15 HG21 ILE A   1       5.910   1.107   5.385  1.00 30.00           H  
ATOM     16 HG22 ILE A   1       6.538   0.522   3.852  1.00 30.00           H  
ATOM     17 HG23 ILE A   1       7.138  -0.196   5.362  1.00 30.00           H  
ATOM     18 HD11 ILE A   1       7.319   3.738   7.814  1.00 30.00           H  
ATOM     19 HD12 ILE A   1       7.347   4.275   6.113  1.00 30.00           H  
ATOM     20 HD13 ILE A   1       6.142   3.080   6.634  1.00 30.00           H  
ATOM     21  N   CYS A   2       8.388   1.251   1.811  1.00 30.00           N  
ATOM     22  CA  CYS A   2       7.859   0.479   0.652  1.00 30.00           C  
ATOM     23  C   CYS A   2       8.873  -0.018  -0.449  1.00 30.00           C  
ATOM     24  O   CYS A   2       8.888   0.442  -1.595  1.00 30.00           O  
ATOM     25  CB  CYS A   2       6.710   1.343   0.084  1.00 30.00           C  
ATOM     26  SG  CYS A   2       5.174   1.092   1.026  1.00 30.00           S  
ATOM     27  H   CYS A   2       8.016   2.171   2.067  1.00 30.00           H  
ATOM     28  HA  CYS A   2       7.374  -0.437   1.040  1.00 30.00           H  
ATOM     29  HB2 CYS A   2       6.964   2.418   0.029  1.00 30.00           H  
ATOM     30  HB3 CYS A   2       6.490   1.059  -0.959  1.00 30.00           H  
ATOM     31  HG  CYS A   2       5.546   1.710   2.144  1.00 30.00           H  
ATOM     32  N   GLU A   3       9.603  -1.099  -0.136  1.00 30.00           N  
ATOM     33  CA  GLU A   3      10.214  -2.005  -1.155  1.00 30.00           C  
ATOM     34  C   GLU A   3       9.203  -3.154  -1.501  1.00 30.00           C  
ATOM     35  O   GLU A   3       8.741  -3.859  -0.605  1.00 30.00           O  
ATOM     36  CB  GLU A   3      11.554  -2.563  -0.602  1.00 30.00           C  
ATOM     37  CG  GLU A   3      12.693  -1.519  -0.453  1.00 30.00           C  
ATOM     38  CD  GLU A   3      14.008  -2.105   0.049  1.00 30.00           C  
ATOM     39  OE1 GLU A   3      14.340  -2.136   1.227  1.00 30.00           O  
ATOM     40  OE2 GLU A   3      14.776  -2.592  -0.962  1.00 30.00           O  
ATOM     41  H   GLU A   3       9.644  -1.280   0.878  1.00 30.00           H  
ATOM     42  HA  GLU A   3      10.445  -1.440  -2.081  1.00 30.00           H  
ATOM     43  HB2 GLU A   3      11.378  -3.066   0.371  1.00 30.00           H  
ATOM     44  HB3 GLU A   3      11.909  -3.369  -1.274  1.00 30.00           H  
ATOM     45  HG2 GLU A   3      12.879  -1.002  -1.413  1.00 30.00           H  
ATOM     46  HG3 GLU A   3      12.390  -0.722   0.253  1.00 30.00           H  
ATOM     47  HE2 GLU A   3      15.585  -2.931  -0.575  1.00 30.00           H  
ATOM     48  N   GLU A   4       8.829  -3.348  -2.777  1.00 30.00           N  
ATOM     49  CA  GLU A   4       7.493  -3.924  -3.157  1.00 30.00           C  
ATOM     50  C   GLU A   4       6.960  -5.376  -2.891  1.00 30.00           C  
ATOM     51  O   GLU A   4       5.766  -5.550  -3.161  1.00 30.00           O  
ATOM     52  CB  GLU A   4       7.251  -3.523  -4.639  1.00 30.00           C  
ATOM     53  CG  GLU A   4       8.139  -4.215  -5.710  1.00 30.00           C  
ATOM     54  CD  GLU A   4       7.854  -3.750  -7.133  1.00 30.00           C  
ATOM     55  OE1 GLU A   4       8.371  -2.763  -7.644  1.00 30.00           O  
ATOM     56  OE2 GLU A   4       6.959  -4.549  -7.773  1.00 30.00           O  
ATOM     57  H   GLU A   4       9.306  -2.716  -3.426  1.00 30.00           H  
ATOM     58  HA  GLU A   4       6.750  -3.392  -2.521  1.00 30.00           H  
ATOM     59  HB2 GLU A   4       6.189  -3.740  -4.879  1.00 30.00           H  
ATOM     60  HB3 GLU A   4       7.325  -2.425  -4.732  1.00 30.00           H  
ATOM     61  HG2 GLU A   4       9.210  -4.032  -5.508  1.00 30.00           H  
ATOM     62  HG3 GLU A   4       8.015  -5.314  -5.663  1.00 30.00           H  
ATOM     63  HE2 GLU A   4       6.827  -4.202  -8.656  1.00 30.00           H  
ATOM     64  N   PRO A   5       7.585  -6.366  -2.207  1.00 30.00           N  
ATOM     65  CA  PRO A   5       6.805  -7.235  -1.274  1.00 30.00           C  
ATOM     66  C   PRO A   5       6.104  -6.531  -0.048  1.00 30.00           C  
ATOM     67  O   PRO A   5       5.097  -7.029   0.462  1.00 30.00           O  
ATOM     68  CB  PRO A   5       7.856  -8.299  -0.909  1.00 30.00           C  
ATOM     69  CG  PRO A   5       9.211  -7.593  -1.063  1.00 30.00           C  
ATOM     70  CD  PRO A   5       9.031  -6.644  -2.251  1.00 30.00           C  
ATOM     71  HA  PRO A   5       5.979  -7.679  -1.861  1.00 30.00           H  
ATOM     72  HB2 PRO A   5       7.711  -8.729   0.101  1.00 30.00           H  
ATOM     73  HB3 PRO A   5       7.788  -9.148  -1.618  1.00 30.00           H  
ATOM     74  HG2 PRO A   5       9.440  -7.010  -0.149  1.00 30.00           H  
ATOM     75  HG3 PRO A   5      10.048  -8.301  -1.209  1.00 30.00           H  
ATOM     76  HD2 PRO A   5       9.683  -5.761  -2.157  1.00 30.00           H  
ATOM     77  HD3 PRO A   5       9.291  -7.146  -3.205  1.00 30.00           H  
ATOM     78  N   THR A   6       6.570  -5.336   0.361  1.00 30.00           N  
ATOM     79  CA  THR A   6       5.825  -4.416   1.270  1.00 30.00           C  
ATOM     80  C   THR A   6       4.574  -3.791   0.568  1.00 30.00           C  
ATOM     81  O   THR A   6       3.489  -3.953   1.085  1.00 30.00           O  
ATOM     82  CB  THR A   6       6.794  -3.351   1.869  1.00 30.00           C  
ATOM     83  OG1 THR A   6       7.923  -3.978   2.466  1.00 30.00           O  
ATOM     84  CG2 THR A   6       6.187  -2.477   2.975  1.00 30.00           C  
ATOM     85  H   THR A   6       7.244  -4.948  -0.323  1.00 30.00           H  
ATOM     86  HA  THR A   6       5.450  -5.011   2.126  1.00 30.00           H  
ATOM     87  HB  THR A   6       7.157  -2.694   1.055  1.00 30.00           H  
ATOM     88  HG1 THR A   6       8.326  -4.512   1.773  1.00 30.00           H  
ATOM     89 HG21 THR A   6       5.341  -1.858   2.621  1.00 30.00           H  
ATOM     90 HG22 THR A   6       5.822  -3.083   3.825  1.00 30.00           H  
ATOM     91 HG23 THR A   6       6.947  -1.786   3.383  1.00 30.00           H  
ATOM     92  N   CYS A   7       4.668  -3.123  -0.591  1.00 30.00           N  
ATOM     93  CA  CYS A   7       3.541  -2.825  -1.512  1.00 30.00           C  
ATOM     94  C   CYS A   7       2.518  -3.856  -2.012  1.00 30.00           C  
ATOM     95  O   CYS A   7       1.403  -3.516  -2.397  1.00 30.00           O  
ATOM     96  CB  CYS A   7       4.123  -1.953  -2.658  1.00 30.00           C  
ATOM     97  SG  CYS A   7       5.616  -0.968  -2.222  1.00 30.00           S  
ATOM     98  H   CYS A   7       5.153  -2.252  -0.410  1.00 30.00           H  
ATOM     99  HA  CYS A   7       2.790  -2.364  -0.859  1.00 30.00           H  
ATOM    100  HB2 CYS A   7       4.405  -2.604  -3.508  1.00 30.00           H  
ATOM    101  HB3 CYS A   7       3.345  -1.281  -3.063  1.00 30.00           H  
ATOM    102  HG  CYS A   7       5.770  -0.372  -3.402  1.00 30.00           H  
ATOM    103  N   ARG A   8       2.934  -5.090  -2.088  1.00 30.00           N  
ATOM    104  CA  ARG A   8       1.959  -6.218  -1.999  1.00 30.00           C  
ATOM    105  C   ARG A   8       1.148  -6.298  -0.657  1.00 30.00           C  
ATOM    106  O   ARG A   8      -0.078  -6.173  -0.702  1.00 30.00           O  
ATOM    107  CB  ARG A   8       2.675  -7.499  -2.464  1.00 30.00           C  
ATOM    108  CG  ARG A   8       1.816  -8.783  -2.516  1.00 30.00           C  
ATOM    109  CD  ARG A   8       2.582  -9.969  -3.115  1.00 30.00           C  
ATOM    110  NE  ARG A   8       1.720 -11.180  -3.152  1.00 30.00           N  
ATOM    111  CZ  ARG A   8       0.925 -11.547  -4.151  1.00 30.00           C  
ATOM    112  NH1 ARG A   8       0.774 -10.878  -5.255  1.00 30.00           N  
ATOM    113  NH2 ARG A   8       0.261 -12.638  -4.006  1.00 30.00           N  
ATOM    114  H   ARG A   8       3.809  -4.973  -1.568  1.00 30.00           H  
ATOM    115  HA  ARG A   8       1.198  -6.011  -2.763  1.00 30.00           H  
ATOM    116  HB2 ARG A   8       3.006  -7.267  -3.490  1.00 30.00           H  
ATOM    117  HB3 ARG A   8       3.588  -7.675  -1.863  1.00 30.00           H  
ATOM    118  HG2 ARG A   8       1.474  -9.065  -1.501  1.00 30.00           H  
ATOM    119  HG3 ARG A   8       0.892  -8.610  -3.100  1.00 30.00           H  
ATOM    120  HD2 ARG A   8       2.990  -9.722  -4.114  1.00 30.00           H  
ATOM    121  HD3 ARG A   8       3.463 -10.191  -2.483  1.00 30.00           H  
ATOM    122 HH11 ARG A   8       1.323 -10.019  -5.281  1.00 30.00           H  
ATOM    123 HH12 ARG A   8       0.127 -11.260  -5.944  1.00 30.00           H  
ATOM    124 HH21 ARG A   8       0.448 -13.079  -3.104  1.00 30.00           H  
ATOM    125 HH22 ARG A   8      -0.356 -12.926  -4.763  1.00 30.00           H  
ATOM    126  N   ASN A   9       1.806  -6.355   0.514  1.00 30.00           N  
ATOM    127  CA  ASN A   9       1.180  -6.008   1.833  1.00 30.00           C  
ATOM    128  C   ASN A   9       0.422  -4.622   1.929  1.00 30.00           C  
ATOM    129  O   ASN A   9      -0.583  -4.544   2.623  1.00 30.00           O  
ATOM    130  CB  ASN A   9       2.205  -6.206   2.980  1.00 30.00           C  
ATOM    131  CG  ASN A   9       2.561  -7.657   3.307  1.00 30.00           C  
ATOM    132  OD1 ASN A   9       1.845  -8.348   4.016  1.00 30.00           O  
ATOM    133  ND2 ASN A   9       3.660  -8.176   2.826  1.00 30.00           N  
ATOM    134  H   ASN A   9       2.822  -6.457   0.408  1.00 30.00           H  
ATOM    135  HA  ASN A   9       0.386  -6.758   2.015  1.00 30.00           H  
ATOM    136  HB2 ASN A   9       3.117  -5.604   2.834  1.00 30.00           H  
ATOM    137  HB3 ASN A   9       1.757  -5.809   3.908  1.00 30.00           H  
ATOM    138 HD21 ASN A   9       4.151  -7.646   2.097  1.00 30.00           H  
ATOM    139 HD22 ASN A   9       3.749  -9.172   3.041  1.00 30.00           H  
ATOM    140  N   ARG A  10       0.887  -3.511   1.344  1.00 30.00           N  
ATOM    141  CA  ARG A  10       0.122  -2.244   1.149  1.00 30.00           C  
ATOM    142  C   ARG A  10      -0.935  -2.048   0.081  1.00 30.00           C  
ATOM    143  O   ARG A  10      -1.647  -1.051   0.098  1.00 30.00           O  
ATOM    144  CB  ARG A  10       0.918  -0.980   1.554  1.00 30.00           C  
ATOM    145  CG  ARG A  10       1.729  -0.993   2.868  1.00 30.00           C  
ATOM    146  CD  ARG A  10       2.201   0.421   3.255  1.00 30.00           C  
ATOM    147  NE  ARG A  10       3.027   0.379   4.488  1.00 30.00           N  
ATOM    148  CZ  ARG A  10       2.566   0.366   5.737  1.00 30.00           C  
ATOM    149  NH1 ARG A  10       1.305   0.392   6.056  1.00 30.00           N  
ATOM    150  NH2 ARG A  10       3.427   0.316   6.690  1.00 30.00           N  
ATOM    151  H   ARG A  10       1.812  -3.617   0.884  1.00 30.00           H  
ATOM    152  HA  ARG A  10      -0.837  -2.351   1.693  1.00 30.00           H  
ATOM    153  HB2 ARG A  10       1.570  -0.604   0.735  1.00 30.00           H  
ATOM    154  HB3 ARG A  10       0.113  -0.244   1.676  1.00 30.00           H  
ATOM    155  HG2 ARG A  10       1.124  -1.421   3.689  1.00 30.00           H  
ATOM    156  HG3 ARG A  10       2.601  -1.672   2.773  1.00 30.00           H  
ATOM    157  HD2 ARG A  10       2.814   0.852   2.441  1.00 30.00           H  
ATOM    158  HD3 ARG A  10       1.346   1.119   3.366  1.00 30.00           H  
ATOM    159 HH11 ARG A  10       0.679   0.396   5.251  1.00 30.00           H  
ATOM    160 HH12 ARG A  10       1.079   0.348   7.050  1.00 30.00           H  
ATOM    161 HH21 ARG A  10       4.388   0.273   6.347  1.00 30.00           H  
ATOM    162 HH22 ARG A  10       3.074   0.291   7.645  1.00 30.00           H  
ATOM    163  N   THR A  11      -0.909  -2.806  -0.975  1.00 30.00           N  
ATOM    164  CA  THR A  11      -2.108  -2.995  -1.806  1.00 30.00           C  
ATOM    165  C   THR A  11      -3.194  -3.881  -1.088  1.00 30.00           C  
ATOM    166  O   THR A  11      -4.391  -3.651  -1.063  1.00 30.00           O  
ATOM    167  CB  THR A  11      -1.620  -3.660  -3.104  1.00 30.00           C  
ATOM    168  OG1 THR A  11      -0.795  -2.792  -3.858  1.00 30.00           O  
ATOM    169  CG2 THR A  11      -2.719  -4.067  -4.103  1.00 30.00           C  
ATOM    170  H   THR A  11      -0.605  -3.722  -0.657  1.00 30.00           H  
ATOM    171  HA  THR A  11      -2.452  -1.960  -1.903  1.00 30.00           H  
ATOM    172  HB  THR A  11      -1.007  -4.504  -2.696  1.00 30.00           H  
ATOM    173  HG1 THR A  11       0.069  -2.757  -3.422  1.00 30.00           H  
ATOM    174 HG21 THR A  11      -2.292  -4.497  -5.026  1.00 30.00           H  
ATOM    175 HG22 THR A  11      -3.432  -4.803  -3.690  1.00 30.00           H  
ATOM    176 HG23 THR A  11      -3.313  -3.184  -4.414  1.00 30.00           H  
ATOM    177  N   ARG A  12      -2.757  -4.916  -0.415  1.00 30.00           N  
ATOM    178  CA  ARG A  12      -3.446  -5.443   0.788  1.00 30.00           C  
ATOM    179  C   ARG A  12      -3.960  -4.468   1.899  1.00 30.00           C  
ATOM    180  O   ARG A  12      -5.118  -4.560   2.304  1.00 30.00           O  
ATOM    181  CB  ARG A  12      -2.557  -6.601   1.206  1.00 30.00           C  
ATOM    182  CG  ARG A  12      -2.860  -7.369   2.524  1.00 30.00           C  
ATOM    183  CD  ARG A  12      -2.349  -6.751   3.832  1.00 30.00           C  
ATOM    184  NE  ARG A  12      -2.946  -7.415   5.020  1.00 30.00           N  
ATOM    185  CZ  ARG A  12      -4.104  -7.091   5.590  1.00 30.00           C  
ATOM    186  NH1 ARG A  12      -4.898  -6.148   5.173  1.00 30.00           N  
ATOM    187  NH2 ARG A  12      -4.460  -7.766   6.624  1.00 30.00           N  
ATOM    188  H   ARG A  12      -1.810  -5.229  -0.663  1.00 30.00           H  
ATOM    189  HA  ARG A  12      -4.309  -5.861   0.417  1.00 30.00           H  
ATOM    190  HB2 ARG A  12      -2.513  -7.350   0.388  1.00 30.00           H  
ATOM    191  HB3 ARG A  12      -1.611  -6.068   1.144  1.00 30.00           H  
ATOM    192  HG2 ARG A  12      -3.950  -7.499   2.619  1.00 30.00           H  
ATOM    193  HG3 ARG A  12      -2.458  -8.398   2.462  1.00 30.00           H  
ATOM    194  HD2 ARG A  12      -1.253  -6.864   3.873  1.00 30.00           H  
ATOM    195  HD3 ARG A  12      -2.539  -5.665   3.870  1.00 30.00           H  
ATOM    196 HH11 ARG A  12      -4.572  -5.665   4.332  1.00 30.00           H  
ATOM    197 HH12 ARG A  12      -5.769  -6.006   5.682  1.00 30.00           H  
ATOM    198 HH21 ARG A  12      -3.785  -8.499   6.849  1.00 30.00           H  
ATOM    199 HH22 ARG A  12      -5.362  -7.546   7.042  1.00 30.00           H  
ATOM    200  N   HIS A  13      -3.152  -3.491   2.312  1.00 30.00           N  
ATOM    201  CA  HIS A  13      -3.638  -2.195   2.875  1.00 30.00           C  
ATOM    202  C   HIS A  13      -4.455  -1.223   2.016  1.00 30.00           C  
ATOM    203  O   HIS A  13      -5.159  -0.340   2.498  1.00 30.00           O  
ATOM    204  CB  HIS A  13      -2.658  -1.555   3.900  1.00 30.00           C  
ATOM    205  CG  HIS A  13      -2.296  -2.445   5.092  1.00 30.00           C  
ATOM    206  ND1 HIS A  13      -3.230  -2.880   6.016  1.00 30.00           N  
ATOM    207  CD2 HIS A  13      -1.064  -3.087   5.302  1.00 30.00           C  
ATOM    208  CE1 HIS A  13      -2.470  -3.796   6.694  1.00 30.00           C  
ATOM    209  NE2 HIS A  13      -1.154  -3.969   6.364  1.00 30.00           N  
ATOM    210  H   HIS A  13      -2.167  -3.784   2.349  1.00 30.00           H  
ATOM    211  HA  HIS A  13      -4.600  -2.452   3.296  1.00 30.00           H  
ATOM    212  HB2 HIS A  13      -1.749  -1.197   3.388  1.00 30.00           H  
ATOM    213  HB3 HIS A  13      -3.121  -0.639   4.314  1.00 30.00           H  
ATOM    214  HD2 HIS A  13      -0.212  -3.007   4.644  1.00 30.00           H  
ATOM    215  HE1 HIS A  13      -2.942  -4.443   7.423  1.00 30.00           H  
ATOM    216  HE2 HIS A  13      -0.565  -4.780   6.585  1.00 30.00           H  
ATOM    217  N   LEU A  14      -4.307  -1.327   0.727  1.00 30.00           N  
ATOM    218  CA  LEU A  14      -5.375  -0.942  -0.208  1.00 30.00           C  
ATOM    219  C   LEU A  14      -6.836  -1.452  -0.018  1.00 30.00           C  
ATOM    220  O   LEU A  14      -7.714  -0.598   0.135  1.00 30.00           O  
ATOM    221  CB  LEU A  14      -4.867  -0.777  -1.650  1.00 30.00           C  
ATOM    222  CG  LEU A  14      -5.873  -0.202  -2.658  1.00 30.00           C  
ATOM    223  CD1 LEU A  14      -6.190   1.275  -2.424  1.00 30.00           C  
ATOM    224  CD2 LEU A  14      -5.416  -0.482  -4.100  1.00 30.00           C  
ATOM    225  H   LEU A  14      -3.629  -2.067   0.646  1.00 30.00           H  
ATOM    226  HA  LEU A  14      -5.471   0.012   0.142  1.00 30.00           H  
ATOM    227  HB2 LEU A  14      -3.927  -0.207  -1.613  1.00 30.00           H  
ATOM    228  HB3 LEU A  14      -4.576  -1.744  -2.040  1.00 30.00           H  
ATOM    229  HG  LEU A  14      -6.805  -0.755  -2.454  1.00 30.00           H  
ATOM    230 HD11 LEU A  14      -5.294   1.914  -2.447  1.00 30.00           H  
ATOM    231 HD12 LEU A  14      -6.899   1.643  -3.182  1.00 30.00           H  
ATOM    232 HD13 LEU A  14      -6.671   1.430  -1.440  1.00 30.00           H  
ATOM    233 HD21 LEU A  14      -4.441  -0.012  -4.332  1.00 30.00           H  
ATOM    234 HD22 LEU A  14      -5.286  -1.567  -4.281  1.00 30.00           H  
ATOM    235 HD23 LEU A  14      -6.144  -0.126  -4.850  1.00 30.00           H  
ATOM    236  N   PRO A  15      -7.140  -2.750   0.089  1.00 30.00           N  
ATOM    237  CA  PRO A  15      -8.225  -3.147   1.048  1.00 30.00           C  
ATOM    238  C   PRO A  15      -8.198  -3.033   2.587  1.00 30.00           C  
ATOM    239  O   PRO A  15      -9.077  -3.527   3.300  1.00 30.00           O  
ATOM    240  CB  PRO A  15      -8.315  -4.594   0.673  1.00 30.00           C  
ATOM    241  CG  PRO A  15      -8.476  -4.522  -0.839  1.00 30.00           C  
ATOM    242  CD  PRO A  15      -7.367  -3.526  -1.160  1.00 30.00           C  
ATOM    243  HA  PRO A  15      -9.131  -2.555   0.829  1.00 30.00           H  
ATOM    244  HB2 PRO A  15      -7.346  -5.035   1.021  1.00 30.00           H  
ATOM    245  HB3 PRO A  15      -9.150  -5.020   1.226  1.00 30.00           H  
ATOM    246  HG2 PRO A  15      -8.341  -5.501  -1.335  1.00 30.00           H  
ATOM    247  HG3 PRO A  15      -9.471  -4.128  -1.130  1.00 30.00           H  
ATOM    248  HD2 PRO A  15      -6.511  -4.168  -1.383  1.00 30.00           H  
ATOM    249  HD3 PRO A  15      -7.567  -2.891  -2.054  1.00 30.00           H  
ATOM    250  N   LEU A  16      -7.331  -2.173   3.049  1.00 30.00           N  
ATOM    251  CA  LEU A  16      -7.704  -1.139   4.020  1.00 30.00           C  
ATOM    252  C   LEU A  16      -8.160   0.215   3.357  1.00 30.00           C  
ATOM    253  O   LEU A  16      -7.497   1.255   3.450  1.00 30.00           O  
ATOM    254  CB  LEU A  16      -6.571  -1.062   5.078  1.00 30.00           C  
ATOM    255  CG  LEU A  16      -7.067  -0.889   6.528  1.00 30.00           C  
ATOM    256  CD1 LEU A  16      -5.937  -1.149   7.535  1.00 30.00           C  
ATOM    257  CD2 LEU A  16      -7.669   0.497   6.804  1.00 30.00           C  
ATOM    258  H   LEU A  16      -6.768  -1.923   2.249  1.00 30.00           H  
ATOM    259  HA  LEU A  16      -8.575  -1.541   4.496  1.00 30.00           H  
ATOM    260  HB2 LEU A  16      -5.975  -1.998   5.041  1.00 30.00           H  
ATOM    261  HB3 LEU A  16      -5.853  -0.276   4.788  1.00 30.00           H  
ATOM    262  HG  LEU A  16      -7.843  -1.667   6.661  1.00 30.00           H  
ATOM    263 HD11 LEU A  16      -5.086  -0.456   7.394  1.00 30.00           H  
ATOM    264 HD12 LEU A  16      -6.280  -1.045   8.581  1.00 30.00           H  
ATOM    265 HD13 LEU A  16      -5.537  -2.174   7.436  1.00 30.00           H  
ATOM    266 HD21 LEU A  16      -8.009   0.601   7.851  1.00 30.00           H  
ATOM    267 HD22 LEU A  16      -6.936   1.304   6.613  1.00 30.00           H  
ATOM    268 HD23 LEU A  16      -8.549   0.700   6.168  1.00 30.00           H  
ATOM    269  N   GLN A  17      -9.344   0.210   2.708  1.00 30.00           N  
ATOM    270  CA  GLN A  17      -9.860   1.388   1.944  1.00 30.00           C  
ATOM    271  C   GLN A  17     -10.601   2.506   2.765  1.00 30.00           C  
ATOM    272  O   GLN A  17     -11.728   2.922   2.488  1.00 30.00           O  
ATOM    273  CB  GLN A  17     -10.635   0.892   0.696  1.00 30.00           C  
ATOM    274  CG  GLN A  17     -11.917   0.041   0.921  1.00 30.00           C  
ATOM    275  CD  GLN A  17     -12.586  -0.437  -0.367  1.00 30.00           C  
ATOM    276  OE1 GLN A  17     -12.393  -1.554  -0.830  1.00 30.00           O  
ATOM    277  NE2 GLN A  17     -13.396   0.381  -0.987  1.00 30.00           N  
ATOM    278  H   GLN A  17      -9.868  -0.669   2.790  1.00 30.00           H  
ATOM    279  HA  GLN A  17      -8.977   1.934   1.545  1.00 30.00           H  
ATOM    280  HB2 GLN A  17     -10.889   1.789   0.097  1.00 30.00           H  
ATOM    281  HB3 GLN A  17      -9.929   0.342   0.047  1.00 30.00           H  
ATOM    282  HG2 GLN A  17     -11.671  -0.860   1.510  1.00 30.00           H  
ATOM    283  HG3 GLN A  17     -12.648   0.595   1.539  1.00 30.00           H  
ATOM    284 HE21 GLN A  17     -13.423   1.338  -0.629  1.00 30.00           H  
ATOM    285 HE22 GLN A  17     -13.725   0.022  -1.887  1.00 30.00           H  
ATOM    286  N   PHE A  18      -9.833   3.169   3.635  1.00 30.00           N  
ATOM    287  CA  PHE A  18      -9.608   4.637   3.517  1.00 30.00           C  
ATOM    288  C   PHE A  18      -9.080   5.157   2.124  1.00 30.00           C  
ATOM    289  O   PHE A  18      -9.575   6.143   1.577  1.00 30.00           O  
ATOM    290  CB  PHE A  18      -8.564   5.009   4.604  1.00 30.00           C  
ATOM    291  CG  PHE A  18      -9.048   5.168   6.020  1.00 30.00           C  
ATOM    292  CD1 PHE A  18      -9.482   6.419   6.448  1.00 30.00           C  
ATOM    293  CD2 PHE A  18      -8.749   4.175   6.945  1.00 30.00           C  
ATOM    294  CE1 PHE A  18      -9.562   6.694   7.801  1.00 30.00           C  
ATOM    295  CE2 PHE A  18      -8.828   4.445   8.298  1.00 30.00           C  
ATOM    296  CZ  PHE A  18      -9.238   5.708   8.740  1.00 30.00           C  
ATOM    297  H   PHE A  18      -9.023   2.601   3.887  1.00 30.00           H  
ATOM    298  HA  PHE A  18     -10.566   5.138   3.714  1.00 30.00           H  
ATOM    299  HB2 PHE A  18      -7.724   4.288   4.612  1.00 30.00           H  
ATOM    300  HB3 PHE A  18      -8.078   5.970   4.368  1.00 30.00           H  
ATOM    301  HD1 PHE A  18      -9.663   7.213   5.735  1.00 30.00           H  
ATOM    302  HD2 PHE A  18      -8.364   3.221   6.617  1.00 30.00           H  
ATOM    303  HE1 PHE A  18      -9.798   7.712   8.046  1.00 30.00           H  
ATOM    304  HE2 PHE A  18      -8.478   3.658   8.940  1.00 30.00           H  
ATOM    305  HZ  PHE A  18      -9.260   5.934   9.796  1.00 30.00           H  
ATOM    306  N   SER A  19      -8.050   4.486   1.589  1.00 30.00           N  
ATOM    307  CA  SER A  19      -7.541   4.717   0.221  1.00 30.00           C  
ATOM    308  C   SER A  19      -8.435   4.163  -0.929  1.00 30.00           C  
ATOM    309  O   SER A  19      -8.838   2.999  -0.954  1.00 30.00           O  
ATOM    310  CB  SER A  19      -6.166   4.045   0.097  1.00 30.00           C  
ATOM    311  OG  SER A  19      -5.191   4.689   0.908  1.00 30.00           O  
ATOM    312  H   SER A  19      -7.924   3.598   2.074  1.00 30.00           H  
ATOM    313  HA  SER A  19      -7.357   5.795   0.087  1.00 30.00           H  
ATOM    314  HB2 SER A  19      -6.245   2.970   0.339  1.00 30.00           H  
ATOM    315  HB3 SER A  19      -5.829   4.085  -0.956  1.00 30.00           H  
ATOM    316  HG  SER A  19      -5.585   4.833   1.776  1.00 30.00           H  
ATOM    317  N   ARG A  20      -8.539   4.967  -1.984  1.00 30.00           N  
ATOM    318  CA  ARG A  20      -8.407   4.450  -3.371  1.00 30.00           C  
ATOM    319  C   ARG A  20      -7.111   5.070  -3.975  1.00 30.00           C  
ATOM    320  O   ARG A  20      -7.095   6.179  -4.515  1.00 30.00           O  
ATOM    321  CB  ARG A  20      -9.712   4.688  -4.170  1.00 30.00           C  
ATOM    322  CG  ARG A  20      -9.764   4.051  -5.582  1.00 30.00           C  
ATOM    323  CD  ARG A  20      -9.525   2.535  -5.599  1.00 30.00           C  
ATOM    324  NE  ARG A  20      -9.859   1.949  -6.923  1.00 30.00           N  
ATOM    325  CZ  ARG A  20      -9.033   1.817  -7.955  1.00 30.00           C  
ATOM    326  NH1 ARG A  20      -7.796   2.216  -7.964  1.00 30.00           N  
ATOM    327  NH2 ARG A  20      -9.499   1.259  -9.014  1.00 30.00           N  
ATOM    328  H   ARG A  20      -8.232   5.911  -1.746  1.00 30.00           H  
ATOM    329  HA  ARG A  20      -8.288   3.349  -3.347  1.00 30.00           H  
ATOM    330  HB2 ARG A  20     -10.563   4.286  -3.584  1.00 30.00           H  
ATOM    331  HB3 ARG A  20      -9.908   5.771  -4.254  1.00 30.00           H  
ATOM    332  HG2 ARG A  20     -10.750   4.264  -6.037  1.00 30.00           H  
ATOM    333  HG3 ARG A  20      -9.027   4.525  -6.251  1.00 30.00           H  
ATOM    334  HD2 ARG A  20      -8.483   2.305  -5.302  1.00 30.00           H  
ATOM    335  HD3 ARG A  20     -10.162   2.066  -4.826  1.00 30.00           H  
ATOM    336 HH11 ARG A  20      -7.516   2.675  -7.098  1.00 30.00           H  
ATOM    337 HH12 ARG A  20      -7.267   2.070  -8.822  1.00 30.00           H  
ATOM    338 HH21 ARG A  20     -10.476   0.983  -8.898  1.00 30.00           H  
ATOM    339 HH22 ARG A  20      -8.873   1.149  -9.810  1.00 30.00           H  
ATOM    340  N   THR A  21      -5.991   4.364  -3.775  1.00 30.00           N  
ATOM    341  CA  THR A  21      -4.605   4.879  -4.022  1.00 30.00           C  
ATOM    342  C   THR A  21      -4.185   6.197  -3.268  1.00 30.00           C  
ATOM    343  O   THR A  21      -3.569   7.096  -3.844  1.00 30.00           O  
ATOM    344  CB  THR A  21      -4.270   4.848  -5.550  1.00 30.00           C  
ATOM    345  OG1 THR A  21      -5.037   5.810  -6.269  1.00 30.00           O  
ATOM    346  CG2 THR A  21      -4.499   3.484  -6.223  1.00 30.00           C  
ATOM    347  H   THR A  21      -6.159   3.352  -3.796  1.00 30.00           H  
ATOM    348  HA  THR A  21      -3.936   4.135  -3.559  1.00 30.00           H  
ATOM    349  HB  THR A  21      -3.198   5.099  -5.673  1.00 30.00           H  
ATOM    350  HG1 THR A  21      -5.795   6.029  -5.707  1.00 30.00           H  
ATOM    351 HG21 THR A  21      -5.568   3.204  -6.227  1.00 30.00           H  
ATOM    352 HG22 THR A  21      -4.155   3.488  -7.270  1.00 30.00           H  
ATOM    353 HG23 THR A  21      -3.958   2.676  -5.693  1.00 30.00           H  
ATOM    354  N   GLY A  22      -4.438   6.271  -1.943  1.00 30.00           N  
ATOM    355  CA  GLY A  22      -4.014   7.431  -1.105  1.00 30.00           C  
ATOM    356  C   GLY A  22      -3.374   7.091   0.271  1.00 30.00           C  
ATOM    357  O   GLY A  22      -4.030   7.388   1.273  1.00 30.00           O  
ATOM    358  H   GLY A  22      -5.118   5.575  -1.606  1.00 30.00           H  
ATOM    359  HA2 GLY A  22      -3.319   8.110  -1.636  1.00 30.00           H  
ATOM    360  HA3 GLY A  22      -4.900   8.065  -0.916  1.00 30.00           H  
ATOM    361  N   PRO A  23      -2.126   6.543   0.407  1.00 30.00           N  
ATOM    362  CA  PRO A  23      -1.217   6.212  -0.728  1.00 30.00           C  
ATOM    363  C   PRO A  23      -0.951   4.671  -0.928  1.00 30.00           C  
ATOM    364  O   PRO A  23       0.156   4.186  -0.673  1.00 30.00           O  
ATOM    365  CB  PRO A  23       0.007   7.054  -0.284  1.00 30.00           C  
ATOM    366  CG  PRO A  23      -0.073   7.271   1.235  1.00 30.00           C  
ATOM    367  CD  PRO A  23      -1.376   6.613   1.680  1.00 30.00           C  
ATOM    368  HA  PRO A  23      -1.569   6.608  -1.696  1.00 30.00           H  
ATOM    369  HB2 PRO A  23       0.965   6.589  -0.566  1.00 30.00           H  
ATOM    370  HB3 PRO A  23      -0.005   8.032  -0.805  1.00 30.00           H  
ATOM    371  HG2 PRO A  23       0.797   6.841   1.766  1.00 30.00           H  
ATOM    372  HG3 PRO A  23      -0.086   8.353   1.470  1.00 30.00           H  
ATOM    373  HD2 PRO A  23      -1.173   5.597   2.077  1.00 30.00           H  
ATOM    374  HD3 PRO A  23      -1.881   7.187   2.484  1.00 30.00           H  
ATOM    375  N   LEU A  24      -1.952   3.880  -1.378  1.00 30.00           N  
ATOM    376  CA  LEU A  24      -1.915   2.381  -1.226  1.00 30.00           C  
ATOM    377  C   LEU A  24      -2.144   1.572  -2.562  1.00 30.00           C  
ATOM    378  O   LEU A  24      -3.086   1.847  -3.293  1.00 30.00           O  
ATOM    379  CB  LEU A  24      -2.855   1.948  -0.034  1.00 30.00           C  
ATOM    380  CG  LEU A  24      -2.639   2.676   1.336  1.00 30.00           C  
ATOM    381  CD1 LEU A  24      -3.685   2.313   2.396  1.00 30.00           C  
ATOM    382  CD2 LEU A  24      -1.256   2.425   1.964  1.00 30.00           C  
ATOM    383  H   LEU A  24      -2.847   4.380  -1.390  1.00 30.00           H  
ATOM    384  HA  LEU A  24      -0.895   2.096  -0.952  1.00 30.00           H  
ATOM    385  HB2 LEU A  24      -3.919   2.003  -0.343  1.00 30.00           H  
ATOM    386  HB3 LEU A  24      -2.787   0.861   0.143  1.00 30.00           H  
ATOM    387  HG  LEU A  24      -2.749   3.764   1.161  1.00 30.00           H  
ATOM    388 HD11 LEU A  24      -3.708   3.051   3.218  1.00 30.00           H  
ATOM    389 HD12 LEU A  24      -4.710   2.263   1.985  1.00 30.00           H  
ATOM    390 HD13 LEU A  24      -3.482   1.335   2.863  1.00 30.00           H  
ATOM    391 HD21 LEU A  24      -1.147   1.376   2.286  1.00 30.00           H  
ATOM    392 HD22 LEU A  24      -0.427   2.652   1.273  1.00 30.00           H  
ATOM    393 HD23 LEU A  24      -1.100   3.055   2.860  1.00 30.00           H  
ATOM    394  N   CYS A  25      -1.374   0.511  -2.911  1.00 30.00           N  
ATOM    395  CA  CYS A  25       0.089   0.607  -3.045  1.00 30.00           C  
ATOM    396  C   CYS A  25       0.782   0.065  -4.374  1.00 30.00           C  
ATOM    397  O   CYS A  25       1.156  -1.114  -4.379  1.00 30.00           O  
ATOM    398  CB  CYS A  25       0.679   0.048  -1.784  1.00 30.00           C  
ATOM    399  SG  CYS A  25       2.337   0.602  -1.447  1.00 30.00           S  
ATOM    400  H   CYS A  25      -1.375  -0.076  -2.087  1.00 30.00           H  
ATOM    401  HA  CYS A  25       0.369   1.552  -2.749  1.00 30.00           H  
ATOM    402  HB2 CYS A  25       0.084   0.256  -0.890  1.00 30.00           H  
ATOM    403  HB3 CYS A  25       0.738  -0.984  -1.963  1.00 30.00           H  
ATOM    404  HG  CYS A  25       2.051   1.181  -0.281  1.00 30.00           H  
ATOM    405  N   PRO A  26       1.035   0.797  -5.505  1.00 30.00           N  
ATOM    406  CA  PRO A  26       1.045   2.278  -5.594  1.00 30.00           C  
ATOM    407  C   PRO A  26      -0.234   3.026  -5.122  1.00 30.00           C  
ATOM    408  O   PRO A  26      -1.360   2.684  -5.462  1.00 30.00           O  
ATOM    409  CB  PRO A  26       1.448   2.594  -7.042  1.00 30.00           C  
ATOM    410  CG  PRO A  26       1.327   1.267  -7.766  1.00 30.00           C  
ATOM    411  CD  PRO A  26       1.568   0.178  -6.730  1.00 30.00           C  
ATOM    412  HA  PRO A  26       1.908   2.610  -5.016  1.00 30.00           H  
ATOM    413  HB2 PRO A  26       0.825   3.376  -7.519  1.00 30.00           H  
ATOM    414  HB3 PRO A  26       2.493   2.959  -7.086  1.00 30.00           H  
ATOM    415  HG2 PRO A  26       0.292   1.183  -8.139  1.00 30.00           H  
ATOM    416  HG3 PRO A  26       2.037   1.209  -8.603  1.00 30.00           H  
ATOM    417  HD2 PRO A  26       1.043  -0.763  -6.993  1.00 30.00           H  
ATOM    418  HD3 PRO A  26       2.644  -0.056  -6.615  1.00 30.00           H  
ATOM    419  N   ALA A  27      -0.111   3.949  -4.178  1.00 30.00           N  
ATOM    420  CA  ALA A  27       0.702   5.179  -4.401  1.00 30.00           C  
ATOM    421  C   ALA A  27       1.709   5.565  -3.267  1.00 30.00           C  
ATOM    422  O   ALA A  27       1.796   6.733  -2.878  1.00 30.00           O  
ATOM    423  CB  ALA A  27      -0.361   6.255  -4.701  1.00 30.00           C  
ATOM    424  H   ALA A  27      -0.721   3.765  -3.367  1.00 30.00           H  
ATOM    425  HA  ALA A  27       1.329   5.090  -5.312  1.00 30.00           H  
ATOM    426  HB1 ALA A  27      -0.984   5.993  -5.576  1.00 30.00           H  
ATOM    427  HB2 ALA A  27      -1.050   6.404  -3.851  1.00 30.00           H  
ATOM    428  HB3 ALA A  27       0.102   7.233  -4.914  1.00 30.00           H  
ATOM    429  N   CYS A  28       2.502   4.602  -2.761  1.00 30.00           N  
ATOM    430  CA  CYS A  28       3.338   4.814  -1.545  1.00 30.00           C  
ATOM    431  C   CYS A  28       4.432   5.938  -1.588  1.00 30.00           C  
ATOM    432  O   CYS A  28       5.496   5.790  -2.195  1.00 30.00           O  
ATOM    433  CB  CYS A  28       3.936   3.437  -1.195  1.00 30.00           C  
ATOM    434  SG  CYS A  28       5.166   2.858  -2.429  1.00 30.00           S  
ATOM    435  H   CYS A  28       2.144   3.664  -2.992  1.00 30.00           H  
ATOM    436  HA  CYS A  28       2.650   5.051  -0.709  1.00 30.00           H  
ATOM    437  HB2 CYS A  28       4.386   3.416  -0.187  1.00 30.00           H  
ATOM    438  HB3 CYS A  28       3.118   2.718  -1.114  1.00 30.00           H  
ATOM    439  HG  CYS A  28       6.237   3.481  -1.941  1.00 30.00           H  
ATOM    440  N   MET A  29       4.206   7.030  -0.840  1.00 30.00           N  
ATOM    441  CA  MET A  29       5.276   8.029  -0.527  1.00 30.00           C  
ATOM    442  C   MET A  29       6.119   7.633   0.743  1.00 30.00           C  
ATOM    443  O   MET A  29       6.193   8.359   1.738  1.00 30.00           O  
ATOM    444  CB  MET A  29       4.612   9.433  -0.437  1.00 30.00           C  
ATOM    445  CG  MET A  29       4.048  10.002  -1.760  1.00 30.00           C  
ATOM    446  SD  MET A  29       3.303  11.624  -1.487  1.00 30.00           S  
ATOM    447  CE  MET A  29       4.744  12.688  -1.670  1.00 30.00           C  
ATOM    448  H   MET A  29       3.220   7.199  -0.624  1.00 30.00           H  
ATOM    449  HA  MET A  29       6.011   8.070  -1.356  1.00 30.00           H  
ATOM    450  HB2 MET A  29       3.820   9.427   0.337  1.00 30.00           H  
ATOM    451  HB3 MET A  29       5.360  10.153  -0.053  1.00 30.00           H  
ATOM    452  HG2 MET A  29       4.830  10.071  -2.539  1.00 30.00           H  
ATOM    453  HG3 MET A  29       3.268   9.333  -2.173  1.00 30.00           H  
ATOM    454  HE1 MET A  29       4.460  13.747  -1.538  1.00 30.00           H  
ATOM    455  HE2 MET A  29       5.515  12.444  -0.917  1.00 30.00           H  
ATOM    456  HE3 MET A  29       5.191  12.575  -2.674  1.00 30.00           H  
ATOM    457  N   LYS A  30       6.775   6.461   0.679  1.00 30.00           N  
ATOM    458  CA  LYS A  30       7.605   5.895   1.760  1.00 30.00           C  
ATOM    459  C   LYS A  30       8.859   5.200   1.130  1.00 30.00           C  
ATOM    460  O   LYS A  30       8.723   4.143   0.511  1.00 30.00           O  
ATOM    461  CB  LYS A  30       6.837   4.886   2.673  1.00 30.00           C  
ATOM    462  CG  LYS A  30       5.464   5.266   3.291  1.00 30.00           C  
ATOM    463  CD  LYS A  30       4.262   4.820   2.422  1.00 30.00           C  
ATOM    464  CE  LYS A  30       2.866   4.946   3.067  1.00 30.00           C  
ATOM    465  NZ  LYS A  30       2.711   4.029   4.220  1.00 30.00           N  
ATOM    466  H   LYS A  30       6.587   5.931  -0.163  1.00 30.00           H  
ATOM    467  HA  LYS A  30       7.939   6.737   2.369  1.00 30.00           H  
ATOM    468  HB2 LYS A  30       6.739   3.912   2.154  1.00 30.00           H  
ATOM    469  HB3 LYS A  30       7.521   4.666   3.513  1.00 30.00           H  
ATOM    470  HG2 LYS A  30       5.379   4.780   4.282  1.00 30.00           H  
ATOM    471  HG3 LYS A  30       5.411   6.352   3.503  1.00 30.00           H  
ATOM    472  HD2 LYS A  30       4.273   5.414   1.490  1.00 30.00           H  
ATOM    473  HD3 LYS A  30       4.410   3.778   2.089  1.00 30.00           H  
ATOM    474  HE2 LYS A  30       2.673   5.991   3.383  1.00 30.00           H  
ATOM    475  HE3 LYS A  30       2.083   4.724   2.311  1.00 30.00           H  
ATOM    476  HZ1 LYS A  30       2.955   3.054   3.995  1.00 30.00           H  
ATOM    477  HZ2 LYS A  30       1.749   4.005   4.580  1.00 30.00           H  
ATOM    478  N   ALA A  31      10.072   5.770   1.287  1.00 30.00           N  
ATOM    479  CA  ALA A  31      11.341   5.216   0.715  1.00 30.00           C  
ATOM    480  C   ALA A  31      11.373   5.069  -0.843  1.00 30.00           C  
ATOM    481  O   ALA A  31      11.722   5.971  -1.600  1.00 30.00           O  
ATOM    482  CB  ALA A  31      11.767   3.953   1.501  1.00 30.00           C  
ATOM    483  H   ALA A  31      10.044   6.676   1.764  1.00 30.00           H  
ATOM    484  HA  ALA A  31      12.123   5.973   0.918  1.00 30.00           H  
ATOM    485  HB1 ALA A  31      12.735   3.547   1.162  1.00 30.00           H  
ATOM    486  HB2 ALA A  31      11.870   4.155   2.584  1.00 30.00           H  
ATOM    487  HB3 ALA A  31      11.028   3.133   1.397  1.00 30.00           H  
TER     488      ALA A  31                                                      
MASTER      182    0    0    1    0    0    0    6  242    1    0    3          
END