HEADER    HORMONE                                 21-DEC-15   2NA5              
TITLE     NMR SOLUTION STRUCTURE OF VITAMIN B12 CONJUGATES OF PYY3-36           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PEPTIDE YY;                                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 31-64;                                            
COMPND   5 SYNONYM: PYY, PYY-I, PEPTIDE TYROSINE TYROSINE, PEPTIDE YY(3-36),    
COMPND   6 PYY-II;                                                              
COMPND   7 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
SOURCE   5 ORGANISM_TAXID: 9606                                                 
KEYWDS    VITAMIN-PEPTIDE CONJUGATE, HORMONE                                    
EXPDTA    SOLUTION NMR                                                          
AUTHOR    R.P.DOYLE,K.E.HENRY,C.L.ROTH,D.J.KERWOOD,D.G.ALLIS,G.G.HOLZ,J.ZUBIETA 
REVDAT   4   15-NOV-23 2NA5    1       LINK   ATOM                              
REVDAT   3   18-AUG-21 2NA5    1       COMPND REMARK HETNAM FORMUL              
REVDAT   3 2                   1       LINK                                     
REVDAT   2   12-OCT-16 2NA5    1       ATOM   CONECT                            
REVDAT   1   21-SEP-16 2NA5    0                                                
JRNL        AUTH   K.E.HENRY,D.J.KERWOOD,D.G.ALLIS,J.L.WORKINGER,               
JRNL        AUTH 2 R.L.BONACCORSO,G.G.HOLZ,C.L.ROTH,J.ZUBIETA,R.P.DOYLE         
JRNL        TITL   SOLUTION STRUCTURE AND CONSTRAINED MOLECULAR DYNAMICS STUDY  
JRNL        TITL 2 OF VITAMIN B12 CONJUGATES OF THE ANORECTIC PEPTIDE           
JRNL        TITL 3 PYY(3-36).                                                   
JRNL        REF    CHEMMEDCHEM                   V.  11  1015 2016              
JRNL        REFN                   ISSN 1860-7179                               
JRNL        PMID   27027248                                                     
JRNL        DOI    10.1002/CMDC.201600073                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : TOPSPIN 1.3, GROMOS96                                
REMARK   3   AUTHORS     : BRUKER BIOSPIN (TOPSPIN), SCHWEDE ET AL.             
REMARK   3                 (GROMOS96)                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: 2D NOE CROSS PEAKS WERE CATEGORIZED AS    
REMARK   3  STRONG, MEDIUM, OR WEAK AND DISTANCE CONSTRAINTS WERE SET TO 1.8    
REMARK   3  TO 3.5A, 1.8 TO 4.5A AND 1.8 TO 6.0A.                               
REMARK   4                                                                      
REMARK   4 2NA5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-DEC-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000104614.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 5.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 1 MM VITAMIN B12 CONJUGATE OF      
REMARK 210                                   PYY3, 90% H2O, 10% D2O             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY; 2D 1H-1H TOCSY; 2D DQF      
REMARK 210                                   -COSY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN 1.3                        
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 4                                  
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: 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    4QK A   4      111.17   -161.43                                   
REMARK 500    PRO A   6     -159.49    -81.99                                   
REMARK 500    PRO A   9     -152.76    -81.03                                   
REMARK 500    ASP A  12      -77.13   -109.47                                   
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  21         0.11    SIDE CHAIN                              
REMARK 500    TYR A  22         0.06    SIDE CHAIN                              
REMARK 500    TYR A  28         0.15    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    ARG A  34         12.25                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 600                                                                      
REMARK 600 HETEROGEN                                                            
REMARK 600                                                                      
REMARK 600 THE DEPOSITORS STATE THAT WHILE ACTUALLY COVALENTLY LINKED BETWEEN   
REMARK 600 THE VITAMIN B12 AND PYY3-36, THIS ENTRY DISPLAYS THE SYSTEM          
REMARK 600 SEPARATED BETWEEN NZ2 AND C5R TO PRODUCE A SMALLER MODIFIED LYS AND  
REMARK 600 AN ACIDIC VITAMIN B12 IN ACCORDANCE WITH PDB ANNOTATION POLICIES.    
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                             CNC A 101  CO                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CNC A 101   N3B                                                    
REMARK 620 2 CNC A 101   N21  95.9                                              
REMARK 620 3 CNC A 101   N22  91.1  89.9                                        
REMARK 620 4 CNC A 101   N23  84.4 173.9  96.2                                  
REMARK 620 5 CNC A 101   N24  96.1  84.5 171.3  89.4                            
REMARK 620 6 CNC A 101   C1A 166.7  95.8  82.5  84.7  91.4                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CNC A 101                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 25928   RELATED DB: BMRB                                 
DBREF  2NA5 A    3    36  UNP    P10082   PYY_HUMAN       31     64             
SEQRES   1 A   34  ILE 4QK PRO GLU ALA PRO GLY GLU ASP ALA SER PRO GLU          
SEQRES   2 A   34  GLU LEU ASN ARG TYR TYR ALA SER LEU ARG HIS TYR LEU          
SEQRES   3 A   34  ASN LEU VAL THR ARG GLN ARG TYR                              
HET    4QK  A   4      32                                                       
HET    CNC  A 101     178                                                       
HETNAM     4QK 6-[4-(2-AMINOETHYL)-1H-1,2,3-TRIAZOL-1-YL]-L-NORLEUCINE          
HETNAM     CNC CYANOCOBALAMIN                                                   
FORMUL   1  4QK    C10 H19 N5 O2                                                
FORMUL   2  CNC    C63 H89 CO N14 O14 P 2+                                      
HELIX    1   1 ALA A   13  THR A   33  1                                  21    
LINK         C   ILE A   3                 N   4QK A   4     1555   1555  1.34  
LINK         C   4QK A   4                 N   PRO A   6     1555   1555  1.34  
LINK         NZ2 4QK A   4                 C5R CNC A 101     1555   1555  1.34  
LINK         N3B CNC A 101                CO   CNC A 101     1555   1555  2.07  
SITE     1 AC1  7 4QK A   4  ALA A   8  PRO A   9  GLY A  10                    
SITE     2 AC1  7 SER A  14  LEU A  18  TYR A  21                               
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   3      35.884  39.733  38.754  1.00  0.00           N  
ATOM      2  CA  ILE A   3      35.013  39.928  37.576  1.00  0.00           C  
ATOM      3  C   ILE A   3      33.709  39.116  37.727  1.00  0.00           C  
ATOM      4  O   ILE A   3      33.585  38.403  38.725  1.00  0.00           O  
ATOM      5  CB  ILE A   3      35.721  39.607  36.242  1.00  0.00           C  
ATOM      6  CG1 ILE A   3      36.007  38.114  36.063  1.00  0.00           C  
ATOM      7  CG2 ILE A   3      37.002  40.435  36.094  1.00  0.00           C  
ATOM      8  CD1 ILE A   3      36.450  37.770  34.640  1.00  0.00           C  
ATOM      9  H1  ILE A   3      36.790  40.129  38.604  1.00  0.00           H  
ATOM     10  H2  ILE A   3      35.478  40.203  39.548  1.00  0.00           H  
ATOM     11  H3  ILE A   3      35.981  38.760  38.963  1.00  0.00           H  
ATOM     12  HA  ILE A   3      34.736  40.982  37.550  1.00  0.00           H  
ATOM     13  HB  ILE A   3      35.048  39.906  35.438  1.00  0.00           H  
ATOM     14 HG12 ILE A   3      36.791  37.818  36.760  1.00  0.00           H  
ATOM     15 HG13 ILE A   3      35.100  37.554  36.292  1.00  0.00           H  
ATOM     16 HG21 ILE A   3      37.484  40.193  35.147  1.00  0.00           H  
ATOM     17 HG22 ILE A   3      37.680  40.205  36.916  1.00  0.00           H  
ATOM     18 HG23 ILE A   3      36.753  41.496  36.114  1.00  0.00           H  
ATOM     19 HD11 ILE A   3      36.640  36.699  34.567  1.00  0.00           H  
ATOM     20 HD12 ILE A   3      35.664  38.048  33.938  1.00  0.00           H  
ATOM     21 HD13 ILE A   3      37.361  38.318  34.401  1.00  0.00           H  
HETATM   22  N   4QK A   4      32.730  39.373  36.852  1.00  0.00           N  
HETATM   23  CA  4QK A   4      31.502  38.556  36.700  1.00  0.00           C  
HETATM   24  CB  4QK A   4      30.529  38.849  37.850  1.00  0.00           C  
HETATM   25  CG  4QK A   4      29.486  37.741  38.007  1.00  0.00           C  
HETATM   26  CD  4QK A   4      28.571  38.064  39.186  1.00  0.00           C  
HETATM   27  CE  4QK A   4      27.404  37.084  39.299  1.00  0.00           C  
HETATM   28  C   4QK A   4      30.841  38.849  35.331  1.00  0.00           C  
HETATM   29  O   4QK A   4      30.368  39.965  35.117  1.00  0.00           O  
HETATM   30  CZ  4QK A   4      25.765  33.611  43.410  1.00  0.00           C  
HETATM   31  CY  4QK A   4      27.266  33.819  43.149  1.00  0.00           C  
HETATM   32  CT1 4QK A   4      27.593  34.462  41.797  1.00  0.00           C  
HETATM   33  CT2 4QK A   4      27.070  35.577  41.303  1.00  0.00           C  
HETATM   34  NT1 4QK A   4      27.691  35.858  40.163  1.00  0.00           N  
HETATM   35  NT2 4QK A   4      28.601  34.909  39.943  1.00  0.00           N  
HETATM   36  NT3 4QK A   4      28.540  34.049  40.955  1.00  0.00           N  
HETATM   37  NZ2 4QK A   4      25.093  32.766  42.404  1.00  0.00           N  
HETATM   38  H   4QK A   4      32.713  40.242  36.334  1.00  0.00           H  
HETATM   39  HA  4QK A   4      31.777  37.502  36.736  1.00  0.00           H  
HETATM   40 HC36 4QK A   4      30.020  39.793  37.654  1.00  0.00           H  
HETATM   41 HC35 4QK A   4      31.095  38.935  38.778  1.00  0.00           H  
HETATM   42 HC38 4QK A   4      28.892  37.669  37.096  1.00  0.00           H  
HETATM   43 HC37 4QK A   4      29.990  36.791  38.188  1.00  0.00           H  
HETATM   44 HC40 4QK A   4      28.177  39.073  39.063  1.00  0.00           H  
HETATM   45 HC39 4QK A   4      29.155  38.021  40.105  1.00  0.00           H  
HETATM   46 HC42 4QK A   4      27.133  36.749  38.298  1.00  0.00           H  
HETATM   47 HC41 4QK A   4      26.555  37.614  39.731  1.00  0.00           H  
HETATM   48 HC44 4QK A   4      25.276  34.585  43.432  1.00  0.00           H  
HETATM   49 HC43 4QK A   4      25.649  33.140  44.386  1.00  0.00           H  
HETATM   50 HC46 4QK A   4      27.766  32.852  43.204  1.00  0.00           H  
HETATM   51 HC45 4QK A   4      27.662  34.461  43.936  1.00  0.00           H  
HETATM   52 HC47 4QK A   4      26.276  36.156  41.751  1.00  0.00           H  
HETATM   53  HZ2 4QK A   4      24.553  33.213  41.676  1.00  0.00           H  
ATOM     54  N   PRO A   6      30.858  37.876  34.404  1.00  0.00           N  
ATOM     55  CA  PRO A   6      30.454  38.058  32.990  1.00  0.00           C  
ATOM     56  C   PRO A   6      28.935  37.991  32.723  1.00  0.00           C  
ATOM     57  O   PRO A   6      28.122  38.309  33.593  1.00  0.00           O  
ATOM     58  CB  PRO A   6      31.215  36.932  32.284  1.00  0.00           C  
ATOM     59  CG  PRO A   6      31.116  35.788  33.289  1.00  0.00           C  
ATOM     60  CD  PRO A   6      31.328  36.493  34.630  1.00  0.00           C  
ATOM     61  HA  PRO A   6      30.833  39.017  32.635  1.00  0.00           H  
ATOM     62  HB2 PRO A   6      30.723  36.664  31.349  1.00  0.00           H  
ATOM     63  HB3 PRO A   6      32.254  37.210  32.105  1.00  0.00           H  
ATOM     64  HG2 PRO A   6      30.136  35.312  33.247  1.00  0.00           H  
ATOM     65  HG3 PRO A   6      31.904  35.056  33.113  1.00  0.00           H  
ATOM     66  HD2 PRO A   6      30.732  36.014  35.407  1.00  0.00           H  
ATOM     67  HD3 PRO A   6      32.383  36.486  34.906  1.00  0.00           H  
ATOM     68  N   GLU A   7      28.586  37.726  31.462  1.00  0.00           N  
ATOM     69  CA  GLU A   7      27.208  37.455  30.993  1.00  0.00           C  
ATOM     70  C   GLU A   7      26.757  36.012  31.307  1.00  0.00           C  
ATOM     71  O   GLU A   7      27.310  35.045  30.778  1.00  0.00           O  
ATOM     72  CB  GLU A   7      27.123  37.711  29.478  1.00  0.00           C  
ATOM     73  CG  GLU A   7      27.631  39.092  29.028  1.00  0.00           C  
ATOM     74  CD  GLU A   7      29.111  39.149  28.603  1.00  0.00           C  
ATOM     75  OE1 GLU A   7      29.863  38.183  28.855  1.00  0.00           O  
ATOM     76  OE2 GLU A   7      29.475  40.127  27.913  1.00  0.00           O  
ATOM     77  H   GLU A   7      29.235  37.859  30.699  1.00  0.00           H  
ATOM     78  HA  GLU A   7      26.531  38.145  31.497  1.00  0.00           H  
ATOM     79  HB2 GLU A   7      27.717  36.950  28.972  1.00  0.00           H  
ATOM     80  HB3 GLU A   7      26.084  37.605  29.166  1.00  0.00           H  
ATOM     81  HG2 GLU A   7      27.026  39.412  28.180  1.00  0.00           H  
ATOM     82  HG3 GLU A   7      27.480  39.798  29.845  1.00  0.00           H  
ATOM     83  N   ALA A   8      25.715  35.874  32.128  1.00  0.00           N  
ATOM     84  CA  ALA A   8      25.258  34.549  32.614  1.00  0.00           C  
ATOM     85  C   ALA A   8      23.907  34.054  32.047  1.00  0.00           C  
ATOM     86  O   ALA A   8      22.910  34.772  32.165  1.00  0.00           O  
ATOM     87  CB  ALA A   8      25.226  34.559  34.143  1.00  0.00           C  
ATOM     88  H   ALA A   8      25.216  36.668  32.477  1.00  0.00           H  
ATOM     89  HA  ALA A   8      26.014  33.822  32.316  1.00  0.00           H  
ATOM     90  HB1 ALA A   8      26.185  34.910  34.525  1.00  0.00           H  
ATOM     91  HB2 ALA A   8      25.037  33.550  34.509  1.00  0.00           H  
ATOM     92  HB3 ALA A   8      24.433  35.224  34.485  1.00  0.00           H  
ATOM     93  N   PRO A   9      23.861  32.796  31.577  1.00  0.00           N  
ATOM     94  CA  PRO A   9      22.737  32.229  30.799  1.00  0.00           C  
ATOM     95  C   PRO A   9      21.511  31.740  31.604  1.00  0.00           C  
ATOM     96  O   PRO A   9      21.142  32.359  32.602  1.00  0.00           O  
ATOM     97  CB  PRO A   9      23.427  31.124  29.994  1.00  0.00           C  
ATOM     98  CG  PRO A   9      24.446  30.560  30.981  1.00  0.00           C  
ATOM     99  CD  PRO A   9      24.967  31.819  31.672  1.00  0.00           C  
ATOM    100  HA  PRO A   9      22.396  32.991  30.098  1.00  0.00           H  
ATOM    101  HB2 PRO A   9      22.709  30.356  29.707  1.00  0.00           H  
ATOM    102  HB3 PRO A   9      23.921  31.533  29.113  1.00  0.00           H  
ATOM    103  HG2 PRO A   9      23.959  29.902  31.700  1.00  0.00           H  
ATOM    104  HG3 PRO A   9      25.248  30.035  30.462  1.00  0.00           H  
ATOM    105  HD2 PRO A   9      25.206  31.612  32.715  1.00  0.00           H  
ATOM    106  HD3 PRO A   9      25.848  32.196  31.152  1.00  0.00           H  
ATOM    107  N   GLY A  10      20.792  30.768  31.039  1.00  0.00           N  
ATOM    108  CA  GLY A  10      19.671  30.042  31.683  1.00  0.00           C  
ATOM    109  C   GLY A  10      18.313  30.017  30.945  1.00  0.00           C  
ATOM    110  O   GLY A  10      17.300  29.693  31.564  1.00  0.00           O  
ATOM    111  H   GLY A  10      20.967  30.494  30.079  1.00  0.00           H  
ATOM    112  HA2 GLY A  10      19.986  29.011  31.845  1.00  0.00           H  
ATOM    113  HA3 GLY A  10      19.503  30.501  32.658  1.00  0.00           H  
ATOM    114  N   GLU A  11      18.330  30.080  29.615  1.00  0.00           N  
ATOM    115  CA  GLU A  11      17.104  30.235  28.790  1.00  0.00           C  
ATOM    116  C   GLU A  11      16.775  29.111  27.780  1.00  0.00           C  
ATOM    117  O   GLU A  11      15.609  28.745  27.614  1.00  0.00           O  
ATOM    118  CB  GLU A  11      17.147  31.583  28.059  1.00  0.00           C  
ATOM    119  CG  GLU A  11      17.084  32.775  29.024  1.00  0.00           C  
ATOM    120  CD  GLU A  11      17.335  34.130  28.349  1.00  0.00           C  
ATOM    121  OE1 GLU A  11      18.155  34.187  27.408  1.00  0.00           O  
ATOM    122  OE2 GLU A  11      16.834  35.142  28.880  1.00  0.00           O  
ATOM    123  H   GLU A  11      19.201  30.008  29.104  1.00  0.00           H  
ATOM    124  HA  GLU A  11      16.266  30.284  29.485  1.00  0.00           H  
ATOM    125  HB2 GLU A  11      18.074  31.643  27.489  1.00  0.00           H  
ATOM    126  HB3 GLU A  11      16.304  31.640  27.370  1.00  0.00           H  
ATOM    127  HG2 GLU A  11      16.094  32.796  29.480  1.00  0.00           H  
ATOM    128  HG3 GLU A  11      17.828  32.631  29.808  1.00  0.00           H  
ATOM    129  N   ASP A  12      17.804  28.448  27.263  1.00  0.00           N  
ATOM    130  CA  ASP A  12      17.699  27.450  26.177  1.00  0.00           C  
ATOM    131  C   ASP A  12      17.945  25.986  26.592  1.00  0.00           C  
ATOM    132  O   ASP A  12      16.997  25.266  26.909  1.00  0.00           O  
ATOM    133  CB  ASP A  12      18.618  27.848  25.019  1.00  0.00           C  
ATOM    134  CG  ASP A  12      17.851  28.615  23.945  1.00  0.00           C  
ATOM    135  OD1 ASP A  12      17.258  27.938  23.083  1.00  0.00           O  
ATOM    136  OD2 ASP A  12      17.976  29.854  23.890  1.00  0.00           O  
ATOM    137  H   ASP A  12      18.727  28.509  27.671  1.00  0.00           H  
ATOM    138  HA  ASP A  12      16.678  27.502  25.800  1.00  0.00           H  
ATOM    139  HB2 ASP A  12      19.424  28.475  25.400  1.00  0.00           H  
ATOM    140  HB3 ASP A  12      19.044  26.947  24.577  1.00  0.00           H  
ATOM    141  N   ALA A  13      19.211  25.617  26.779  1.00  0.00           N  
ATOM    142  CA  ALA A  13      19.645  24.220  27.011  1.00  0.00           C  
ATOM    143  C   ALA A  13      21.012  24.176  27.707  1.00  0.00           C  
ATOM    144  O   ALA A  13      21.971  24.798  27.245  1.00  0.00           O  
ATOM    145  CB  ALA A  13      19.735  23.478  25.674  1.00  0.00           C  
ATOM    146  H   ALA A  13      19.903  26.320  26.976  1.00  0.00           H  
ATOM    147  HA  ALA A  13      18.910  23.722  27.643  1.00  0.00           H  
ATOM    148  HB1 ALA A  13      18.766  23.507  25.176  1.00  0.00           H  
ATOM    149  HB2 ALA A  13      20.021  22.441  25.853  1.00  0.00           H  
ATOM    150  HB3 ALA A  13      20.483  23.957  25.042  1.00  0.00           H  
ATOM    151  N   SER A  14      21.130  23.269  28.675  1.00  0.00           N  
ATOM    152  CA  SER A  14      22.284  23.246  29.609  1.00  0.00           C  
ATOM    153  C   SER A  14      23.691  23.168  28.979  1.00  0.00           C  
ATOM    154  O   SER A  14      24.430  24.135  29.177  1.00  0.00           O  
ATOM    155  CB  SER A  14      22.157  22.226  30.749  1.00  0.00           C  
ATOM    156  OG  SER A  14      20.904  22.355  31.432  1.00  0.00           O  
ATOM    157  H   SER A  14      20.394  22.617  28.872  1.00  0.00           H  
ATOM    158  HA  SER A  14      22.257  24.217  30.104  1.00  0.00           H  
ATOM    159  HB2 SER A  14      22.238  21.220  30.339  1.00  0.00           H  
ATOM    160  HB3 SER A  14      22.967  22.388  31.461  1.00  0.00           H  
ATOM    161  HG  SER A  14      20.506  21.407  31.485  1.00  0.00           H  
ATOM    162  N   PRO A  15      24.071  22.153  28.176  1.00  0.00           N  
ATOM    163  CA  PRO A  15      25.423  22.090  27.579  1.00  0.00           C  
ATOM    164  C   PRO A  15      25.733  23.203  26.563  1.00  0.00           C  
ATOM    165  O   PRO A  15      26.764  23.866  26.687  1.00  0.00           O  
ATOM    166  CB  PRO A  15      25.573  20.674  27.025  1.00  0.00           C  
ATOM    167  CG  PRO A  15      24.137  20.259  26.721  1.00  0.00           C  
ATOM    168  CD  PRO A  15      23.290  20.962  27.782  1.00  0.00           C  
ATOM    169  HA  PRO A  15      26.139  22.192  28.395  1.00  0.00           H  
ATOM    170  HB2 PRO A  15      26.179  20.672  26.119  1.00  0.00           H  
ATOM    171  HB3 PRO A  15      26.009  20.015  27.776  1.00  0.00           H  
ATOM    172  HG2 PRO A  15      23.850  20.597  25.725  1.00  0.00           H  
ATOM    173  HG3 PRO A  15      24.026  19.177  26.797  1.00  0.00           H  
ATOM    174  HD2 PRO A  15      22.332  21.264  27.358  1.00  0.00           H  
ATOM    175  HD3 PRO A  15      23.132  20.308  28.640  1.00  0.00           H  
ATOM    176  N   GLU A  16      24.752  23.543  25.728  1.00  0.00           N  
ATOM    177  CA  GLU A  16      24.804  24.709  24.818  1.00  0.00           C  
ATOM    178  C   GLU A  16      25.061  26.053  25.532  1.00  0.00           C  
ATOM    179  O   GLU A  16      25.991  26.787  25.189  1.00  0.00           O  
ATOM    180  CB  GLU A  16      23.508  24.738  23.995  1.00  0.00           C  
ATOM    181  CG  GLU A  16      23.446  23.686  22.872  1.00  0.00           C  
ATOM    182  CD  GLU A  16      23.459  22.202  23.276  1.00  0.00           C  
ATOM    183  OE1 GLU A  16      22.889  21.850  24.326  1.00  0.00           O  
ATOM    184  OE2 GLU A  16      24.057  21.393  22.535  1.00  0.00           O  
ATOM    185  H   GLU A  16      24.035  22.880  25.465  1.00  0.00           H  
ATOM    186  HA  GLU A  16      25.628  24.545  24.124  1.00  0.00           H  
ATOM    187  HB2 GLU A  16      22.665  24.580  24.667  1.00  0.00           H  
ATOM    188  HB3 GLU A  16      23.413  25.725  23.543  1.00  0.00           H  
ATOM    189  HG2 GLU A  16      22.527  23.862  22.312  1.00  0.00           H  
ATOM    190  HG3 GLU A  16      24.287  23.860  22.201  1.00  0.00           H  
ATOM    191  N   GLU A  17      24.372  26.259  26.651  1.00  0.00           N  
ATOM    192  CA  GLU A  17      24.611  27.422  27.534  1.00  0.00           C  
ATOM    193  C   GLU A  17      25.873  27.388  28.416  1.00  0.00           C  
ATOM    194  O   GLU A  17      26.418  28.442  28.755  1.00  0.00           O  
ATOM    195  CB  GLU A  17      23.355  27.756  28.328  1.00  0.00           C  
ATOM    196  CG  GLU A  17      22.318  28.315  27.355  1.00  0.00           C  
ATOM    197  CD  GLU A  17      21.052  28.729  28.090  1.00  0.00           C  
ATOM    198  OE1 GLU A  17      20.246  27.840  28.396  1.00  0.00           O  
ATOM    199  OE2 GLU A  17      20.886  29.924  28.379  1.00  0.00           O  
ATOM    200  H   GLU A  17      23.549  25.718  26.865  1.00  0.00           H  
ATOM    201  HA  GLU A  17      24.756  28.267  26.861  1.00  0.00           H  
ATOM    202  HB2 GLU A  17      22.967  26.853  28.800  1.00  0.00           H  
ATOM    203  HB3 GLU A  17      23.586  28.500  29.090  1.00  0.00           H  
ATOM    204  HG2 GLU A  17      22.736  29.182  26.844  1.00  0.00           H  
ATOM    205  HG3 GLU A  17      22.070  27.550  26.620  1.00  0.00           H  
ATOM    206  N   LEU A  18      26.363  26.191  28.749  1.00  0.00           N  
ATOM    207  CA  LEU A  18      27.734  26.031  29.296  1.00  0.00           C  
ATOM    208  C   LEU A  18      28.789  26.606  28.332  1.00  0.00           C  
ATOM    209  O   LEU A  18      29.515  27.522  28.719  1.00  0.00           O  
ATOM    210  CB  LEU A  18      28.122  24.580  29.623  1.00  0.00           C  
ATOM    211  CG  LEU A  18      27.314  23.876  30.722  1.00  0.00           C  
ATOM    212  CD1 LEU A  18      27.870  22.468  30.943  1.00  0.00           C  
ATOM    213  CD2 LEU A  18      27.284  24.649  32.039  1.00  0.00           C  
ATOM    214  H   LEU A  18      25.776  25.373  28.767  1.00  0.00           H  
ATOM    215  HA  LEU A  18      27.788  26.603  30.222  1.00  0.00           H  
ATOM    216  HB2 LEU A  18      28.013  23.996  28.709  1.00  0.00           H  
ATOM    217  HB3 LEU A  18      29.173  24.566  29.912  1.00  0.00           H  
ATOM    218  HG  LEU A  18      26.287  23.778  30.370  1.00  0.00           H  
ATOM    219 HD11 LEU A  18      27.296  21.968  31.723  1.00  0.00           H  
ATOM    220 HD12 LEU A  18      28.915  22.534  31.246  1.00  0.00           H  
ATOM    221 HD13 LEU A  18      27.796  21.899  30.017  1.00  0.00           H  
ATOM    222 HD21 LEU A  18      27.302  25.719  31.833  1.00  0.00           H  
ATOM    223 HD22 LEU A  18      28.154  24.379  32.638  1.00  0.00           H  
ATOM    224 HD23 LEU A  18      26.375  24.400  32.586  1.00  0.00           H  
ATOM    225  N   ASN A  19      28.675  26.259  27.045  1.00  0.00           N  
ATOM    226  CA  ASN A  19      29.552  26.790  25.969  1.00  0.00           C  
ATOM    227  C   ASN A  19      29.546  28.330  25.873  1.00  0.00           C  
ATOM    228  O   ASN A  19      30.615  28.942  25.908  1.00  0.00           O  
ATOM    229  CB  ASN A  19      29.190  26.205  24.597  1.00  0.00           C  
ATOM    230  CG  ASN A  19      29.252  24.675  24.539  1.00  0.00           C  
ATOM    231  OD1 ASN A  19      30.221  24.032  24.930  1.00  0.00           O  
ATOM    232  ND2 ASN A  19      28.301  24.105  23.837  1.00  0.00           N  
ATOM    233  H   ASN A  19      28.037  25.534  26.762  1.00  0.00           H  
ATOM    234  HA  ASN A  19      30.572  26.481  26.197  1.00  0.00           H  
ATOM    235  HB2 ASN A  19      28.181  26.524  24.336  1.00  0.00           H  
ATOM    236  HB3 ASN A  19      29.886  26.605  23.859  1.00  0.00           H  
ATOM    237 HD21 ASN A  19      27.673  24.641  23.257  1.00  0.00           H  
ATOM    238 HD22 ASN A  19      27.992  23.175  24.074  1.00  0.00           H  
ATOM    239  N   ARG A  20      28.354  28.930  25.932  1.00  0.00           N  
ATOM    240  CA  ARG A  20      28.172  30.403  26.004  1.00  0.00           C  
ATOM    241  C   ARG A  20      28.901  31.082  27.178  1.00  0.00           C  
ATOM    242  O   ARG A  20      29.747  31.953  26.971  1.00  0.00           O  
ATOM    243  CB  ARG A  20      26.690  30.776  26.090  1.00  0.00           C  
ATOM    244  CG  ARG A  20      25.964  30.514  24.773  1.00  0.00           C  
ATOM    245  CD  ARG A  20      24.476  30.865  24.849  1.00  0.00           C  
ATOM    246  NE  ARG A  20      24.257  32.303  25.087  1.00  0.00           N  
ATOM    247  CZ  ARG A  20      24.013  33.228  24.148  1.00  0.00           C  
ATOM    248  NH1 ARG A  20      23.970  32.920  22.849  1.00  0.00           N  
ATOM    249  NH2 ARG A  20      23.882  34.505  24.509  1.00  0.00           N  
ATOM    250  H   ARG A  20      27.515  28.400  25.777  1.00  0.00           H  
ATOM    251  HA  ARG A  20      28.566  30.829  25.081  1.00  0.00           H  
ATOM    252  HB2 ARG A  20      26.220  30.189  26.879  1.00  0.00           H  
ATOM    253  HB3 ARG A  20      26.606  31.835  26.335  1.00  0.00           H  
ATOM    254  HG2 ARG A  20      26.429  31.109  23.987  1.00  0.00           H  
ATOM    255  HG3 ARG A  20      26.062  29.458  24.523  1.00  0.00           H  
ATOM    256  HD2 ARG A  20      24.001  30.588  23.908  1.00  0.00           H  
ATOM    257  HD3 ARG A  20      24.018  30.297  25.659  1.00  0.00           H  
ATOM    258  HE  ARG A  20      24.143  32.566  26.046  1.00  0.00           H  
ATOM    259 HH11 ARG A  20      24.160  31.988  22.541  1.00  0.00           H  
ATOM    260 HH12 ARG A  20      23.663  33.592  22.176  1.00  0.00           H  
ATOM    261 HH21 ARG A  20      24.013  34.765  25.469  1.00  0.00           H  
ATOM    262 HH22 ARG A  20      23.598  35.188  23.838  1.00  0.00           H  
ATOM    263  N   TYR A  21      28.671  30.572  28.387  1.00  0.00           N  
ATOM    264  CA  TYR A  21      29.338  31.081  29.606  1.00  0.00           C  
ATOM    265  C   TYR A  21      30.864  30.848  29.614  1.00  0.00           C  
ATOM    266  O   TYR A  21      31.615  31.771  29.925  1.00  0.00           O  
ATOM    267  CB  TYR A  21      28.641  30.498  30.837  1.00  0.00           C  
ATOM    268  CG  TYR A  21      29.128  31.069  32.173  1.00  0.00           C  
ATOM    269  CD1 TYR A  21      28.681  32.307  32.621  1.00  0.00           C  
ATOM    270  CD2 TYR A  21      30.028  30.347  32.943  1.00  0.00           C  
ATOM    271  CE1 TYR A  21      29.135  32.827  33.826  1.00  0.00           C  
ATOM    272  CE2 TYR A  21      30.486  30.867  34.143  1.00  0.00           C  
ATOM    273  CZ  TYR A  21      30.066  32.118  34.577  1.00  0.00           C  
ATOM    274  OH  TYR A  21      30.826  32.757  35.505  1.00  0.00           O  
ATOM    275  H   TYR A  21      27.989  29.848  28.527  1.00  0.00           H  
ATOM    276  HA  TYR A  21      29.180  32.159  29.630  1.00  0.00           H  
ATOM    277  HB2 TYR A  21      27.570  30.682  30.750  1.00  0.00           H  
ATOM    278  HB3 TYR A  21      28.810  29.421  30.845  1.00  0.00           H  
ATOM    279  HD1 TYR A  21      28.014  32.904  31.999  1.00  0.00           H  
ATOM    280  HD2 TYR A  21      30.384  29.369  32.613  1.00  0.00           H  
ATOM    281  HE1 TYR A  21      28.705  33.761  34.190  1.00  0.00           H  
ATOM    282  HE2 TYR A  21      31.132  30.250  34.769  1.00  0.00           H  
ATOM    283  HH  TYR A  21      30.279  33.417  36.032  1.00  0.00           H  
ATOM    284  N   TYR A  22      31.314  29.692  29.121  1.00  0.00           N  
ATOM    285  CA  TYR A  22      32.755  29.425  28.891  1.00  0.00           C  
ATOM    286  C   TYR A  22      33.417  30.340  27.841  1.00  0.00           C  
ATOM    287  O   TYR A  22      34.574  30.739  27.994  1.00  0.00           O  
ATOM    288  CB  TYR A  22      33.013  27.950  28.559  1.00  0.00           C  
ATOM    289  CG  TYR A  22      32.775  27.009  29.750  1.00  0.00           C  
ATOM    290  CD1 TYR A  22      33.377  27.229  30.985  1.00  0.00           C  
ATOM    291  CD2 TYR A  22      31.949  25.906  29.586  1.00  0.00           C  
ATOM    292  CE1 TYR A  22      33.149  26.358  32.041  1.00  0.00           C  
ATOM    293  CE2 TYR A  22      31.717  25.031  30.638  1.00  0.00           C  
ATOM    294  CZ  TYR A  22      32.323  25.257  31.866  1.00  0.00           C  
ATOM    295  OH  TYR A  22      32.288  24.296  32.818  1.00  0.00           O  
ATOM    296  H   TYR A  22      30.699  28.905  28.979  1.00  0.00           H  
ATOM    297  HA  TYR A  22      33.261  29.622  29.836  1.00  0.00           H  
ATOM    298  HB2 TYR A  22      32.347  27.656  27.748  1.00  0.00           H  
ATOM    299  HB3 TYR A  22      34.045  27.840  28.225  1.00  0.00           H  
ATOM    300  HD1 TYR A  22      34.078  28.049  31.125  1.00  0.00           H  
ATOM    301  HD2 TYR A  22      31.497  25.707  28.616  1.00  0.00           H  
ATOM    302  HE1 TYR A  22      33.609  26.558  33.009  1.00  0.00           H  
ATOM    303  HE2 TYR A  22      31.086  24.155  30.477  1.00  0.00           H  
ATOM    304  HH  TYR A  22      31.325  24.220  33.150  1.00  0.00           H  
ATOM    305  N   ALA A  23      32.669  30.691  26.796  1.00  0.00           N  
ATOM    306  CA  ALA A  23      33.067  31.732  25.822  1.00  0.00           C  
ATOM    307  C   ALA A  23      33.176  33.137  26.449  1.00  0.00           C  
ATOM    308  O   ALA A  23      34.241  33.753  26.362  1.00  0.00           O  
ATOM    309  CB  ALA A  23      32.091  31.729  24.647  1.00  0.00           C  
ATOM    310  H   ALA A  23      31.823  30.193  26.566  1.00  0.00           H  
ATOM    311  HA  ALA A  23      34.051  31.465  25.436  1.00  0.00           H  
ATOM    312  HB1 ALA A  23      32.034  30.726  24.224  1.00  0.00           H  
ATOM    313  HB2 ALA A  23      31.104  32.034  24.994  1.00  0.00           H  
ATOM    314  HB3 ALA A  23      32.439  32.426  23.884  1.00  0.00           H  
ATOM    315  N   SER A  24      32.163  33.540  27.222  1.00  0.00           N  
ATOM    316  CA  SER A  24      32.223  34.765  28.065  1.00  0.00           C  
ATOM    317  C   SER A  24      33.386  34.780  29.069  1.00  0.00           C  
ATOM    318  O   SER A  24      34.076  35.790  29.185  1.00  0.00           O  
ATOM    319  CB  SER A  24      30.944  35.018  28.866  1.00  0.00           C  
ATOM    320  OG  SER A  24      29.921  35.569  28.034  1.00  0.00           O  
ATOM    321  H   SER A  24      31.249  33.123  27.133  1.00  0.00           H  
ATOM    322  HA  SER A  24      32.361  35.614  27.395  1.00  0.00           H  
ATOM    323  HB2 SER A  24      30.593  34.075  29.285  1.00  0.00           H  
ATOM    324  HB3 SER A  24      31.160  35.713  29.677  1.00  0.00           H  
ATOM    325  HG  SER A  24      29.912  36.590  28.200  1.00  0.00           H  
ATOM    326  N   LEU A  25      33.652  33.644  29.717  1.00  0.00           N  
ATOM    327  CA  LEU A  25      34.830  33.439  30.594  1.00  0.00           C  
ATOM    328  C   LEU A  25      36.176  33.739  29.906  1.00  0.00           C  
ATOM    329  O   LEU A  25      36.877  34.660  30.331  1.00  0.00           O  
ATOM    330  CB  LEU A  25      34.767  32.016  31.172  1.00  0.00           C  
ATOM    331  CG  LEU A  25      36.002  31.509  31.930  1.00  0.00           C  
ATOM    332  CD1 LEU A  25      36.330  32.338  33.172  1.00  0.00           C  
ATOM    333  CD2 LEU A  25      35.791  30.046  32.304  1.00  0.00           C  
ATOM    334  H   LEU A  25      32.967  32.903  29.753  1.00  0.00           H  
ATOM    335  HA  LEU A  25      34.734  34.131  31.430  1.00  0.00           H  
ATOM    336  HB2 LEU A  25      33.923  31.979  31.860  1.00  0.00           H  
ATOM    337  HB3 LEU A  25      34.566  31.326  30.352  1.00  0.00           H  
ATOM    338  HG  LEU A  25      36.856  31.563  31.255  1.00  0.00           H  
ATOM    339 HD11 LEU A  25      36.477  33.379  32.886  1.00  0.00           H  
ATOM    340 HD12 LEU A  25      37.241  31.956  33.633  1.00  0.00           H  
ATOM    341 HD13 LEU A  25      35.506  32.269  33.883  1.00  0.00           H  
ATOM    342 HD21 LEU A  25      36.664  29.679  32.843  1.00  0.00           H  
ATOM    343 HD22 LEU A  25      34.909  29.957  32.938  1.00  0.00           H  
ATOM    344 HD23 LEU A  25      35.648  29.456  31.398  1.00  0.00           H  
ATOM    345  N   ARG A  26      36.429  33.088  28.771  1.00  0.00           N  
ATOM    346  CA  ARG A  26      37.668  33.305  27.987  1.00  0.00           C  
ATOM    347  C   ARG A  26      37.818  34.742  27.446  1.00  0.00           C  
ATOM    348  O   ARG A  26      38.850  35.371  27.684  1.00  0.00           O  
ATOM    349  CB  ARG A  26      37.797  32.262  26.874  1.00  0.00           C  
ATOM    350  CG  ARG A  26      37.916  30.846  27.452  1.00  0.00           C  
ATOM    351  CD  ARG A  26      38.085  29.761  26.383  1.00  0.00           C  
ATOM    352  NE  ARG A  26      36.931  29.721  25.469  1.00  0.00           N  
ATOM    353  CZ  ARG A  26      36.087  28.692  25.300  1.00  0.00           C  
ATOM    354  NH1 ARG A  26      36.242  27.530  25.944  1.00  0.00           N  
ATOM    355  NH2 ARG A  26      35.021  28.848  24.513  1.00  0.00           N  
ATOM    356  H   ARG A  26      35.835  32.341  28.456  1.00  0.00           H  
ATOM    357  HA  ARG A  26      38.502  33.139  28.669  1.00  0.00           H  
ATOM    358  HB2 ARG A  26      36.915  32.312  26.236  1.00  0.00           H  
ATOM    359  HB3 ARG A  26      38.683  32.481  26.278  1.00  0.00           H  
ATOM    360  HG2 ARG A  26      38.773  30.812  28.125  1.00  0.00           H  
ATOM    361  HG3 ARG A  26      37.013  30.630  28.023  1.00  0.00           H  
ATOM    362  HD2 ARG A  26      38.986  29.969  25.807  1.00  0.00           H  
ATOM    363  HD3 ARG A  26      38.188  28.792  26.871  1.00  0.00           H  
ATOM    364  HE  ARG A  26      36.862  30.512  24.845  1.00  0.00           H  
ATOM    365 HH11 ARG A  26      36.982  27.397  26.605  1.00  0.00           H  
ATOM    366 HH12 ARG A  26      35.670  26.744  25.718  1.00  0.00           H  
ATOM    367 HH21 ARG A  26      34.865  29.724  24.056  1.00  0.00           H  
ATOM    368 HH22 ARG A  26      34.411  28.078  24.328  1.00  0.00           H  
ATOM    369  N   HIS A  27      36.708  35.316  26.975  1.00  0.00           N  
ATOM    370  CA  HIS A  27      36.609  36.747  26.602  1.00  0.00           C  
ATOM    371  C   HIS A  27      36.947  37.705  27.762  1.00  0.00           C  
ATOM    372  O   HIS A  27      37.904  38.475  27.669  1.00  0.00           O  
ATOM    373  CB  HIS A  27      35.207  37.016  26.035  1.00  0.00           C  
ATOM    374  CG  HIS A  27      34.839  38.489  25.814  1.00  0.00           C  
ATOM    375  ND1 HIS A  27      35.639  39.487  25.427  1.00  0.00           N  
ATOM    376  CD2 HIS A  27      33.644  38.995  26.112  1.00  0.00           C  
ATOM    377  CE1 HIS A  27      34.917  40.611  25.506  1.00  0.00           C  
ATOM    378  NE2 HIS A  27      33.689  40.307  25.923  1.00  0.00           N  
ATOM    379  H   HIS A  27      35.892  34.768  26.762  1.00  0.00           H  
ATOM    380  HA  HIS A  27      37.328  36.930  25.803  1.00  0.00           H  
ATOM    381  HB2 HIS A  27      35.133  36.507  25.074  1.00  0.00           H  
ATOM    382  HB3 HIS A  27      34.474  36.578  26.712  1.00  0.00           H  
ATOM    383  HD2 HIS A  27      32.763  38.432  26.429  1.00  0.00           H  
ATOM    384  HE1 HIS A  27      35.259  41.620  25.270  1.00  0.00           H  
ATOM    385  HE2 HIS A  27      32.901  40.937  26.037  1.00  0.00           H  
ATOM    386  N   TYR A  28      36.275  37.509  28.894  1.00  0.00           N  
ATOM    387  CA  TYR A  28      36.521  38.272  30.136  1.00  0.00           C  
ATOM    388  C   TYR A  28      37.938  38.142  30.723  1.00  0.00           C  
ATOM    389  O   TYR A  28      38.475  39.123  31.234  1.00  0.00           O  
ATOM    390  CB  TYR A  28      35.434  37.958  31.166  1.00  0.00           C  
ATOM    391  CG  TYR A  28      34.282  38.965  31.087  1.00  0.00           C  
ATOM    392  CD1 TYR A  28      33.434  39.028  29.985  1.00  0.00           C  
ATOM    393  CD2 TYR A  28      34.150  39.906  32.100  1.00  0.00           C  
ATOM    394  CE1 TYR A  28      32.506  40.054  29.871  1.00  0.00           C  
ATOM    395  CE2 TYR A  28      33.213  40.922  31.996  1.00  0.00           C  
ATOM    396  CZ  TYR A  28      32.420  41.027  30.859  1.00  0.00           C  
ATOM    397  OH  TYR A  28      31.877  42.234  30.564  1.00  0.00           O  
ATOM    398  H   TYR A  28      35.503  36.862  28.938  1.00  0.00           H  
ATOM    399  HA  TYR A  28      36.397  39.323  29.875  1.00  0.00           H  
ATOM    400  HB2 TYR A  28      35.046  36.956  30.983  1.00  0.00           H  
ATOM    401  HB3 TYR A  28      35.870  37.996  32.164  1.00  0.00           H  
ATOM    402  HD1 TYR A  28      33.435  38.235  29.238  1.00  0.00           H  
ATOM    403  HD2 TYR A  28      34.791  39.859  32.979  1.00  0.00           H  
ATOM    404  HE1 TYR A  28      31.744  39.992  29.089  1.00  0.00           H  
ATOM    405  HE2 TYR A  28      33.025  41.556  32.864  1.00  0.00           H  
ATOM    406  HH  TYR A  28      31.579  42.668  31.453  1.00  0.00           H  
ATOM    407  N   LEU A  29      38.566  36.975  30.573  1.00  0.00           N  
ATOM    408  CA  LEU A  29      40.011  36.827  30.861  1.00  0.00           C  
ATOM    409  C   LEU A  29      40.940  37.580  29.886  1.00  0.00           C  
ATOM    410  O   LEU A  29      41.704  38.437  30.334  1.00  0.00           O  
ATOM    411  CB  LEU A  29      40.447  35.365  31.005  1.00  0.00           C  
ATOM    412  CG  LEU A  29      39.978  34.698  32.304  1.00  0.00           C  
ATOM    413  CD1 LEU A  29      40.541  33.280  32.367  1.00  0.00           C  
ATOM    414  CD2 LEU A  29      40.421  35.472  33.549  1.00  0.00           C  
ATOM    415  H   LEU A  29      38.061  36.126  30.375  1.00  0.00           H  
ATOM    416  HA  LEU A  29      40.169  37.284  31.838  1.00  0.00           H  
ATOM    417  HB2 LEU A  29      40.055  34.799  30.160  1.00  0.00           H  
ATOM    418  HB3 LEU A  29      41.536  35.328  30.975  1.00  0.00           H  
ATOM    419  HG  LEU A  29      38.889  34.642  32.296  1.00  0.00           H  
ATOM    420 HD11 LEU A  29      40.212  32.799  33.288  1.00  0.00           H  
ATOM    421 HD12 LEU A  29      40.183  32.709  31.511  1.00  0.00           H  
ATOM    422 HD13 LEU A  29      41.630  33.320  32.347  1.00  0.00           H  
ATOM    423 HD21 LEU A  29      40.021  36.485  33.509  1.00  0.00           H  
ATOM    424 HD22 LEU A  29      41.510  35.512  33.583  1.00  0.00           H  
ATOM    425 HD23 LEU A  29      40.048  34.969  34.441  1.00  0.00           H  
ATOM    426  N   ASN A  30      40.737  37.411  28.575  1.00  0.00           N  
ATOM    427  CA  ASN A  30      41.481  38.151  27.519  1.00  0.00           C  
ATOM    428  C   ASN A  30      41.329  39.685  27.616  1.00  0.00           C  
ATOM    429  O   ASN A  30      42.278  40.434  27.398  1.00  0.00           O  
ATOM    430  CB  ASN A  30      41.031  37.672  26.134  1.00  0.00           C  
ATOM    431  CG  ASN A  30      42.107  36.924  25.333  1.00  0.00           C  
ATOM    432  OD1 ASN A  30      42.740  37.447  24.423  1.00  0.00           O  
ATOM    433  ND2 ASN A  30      42.307  35.659  25.620  1.00  0.00           N  
ATOM    434  H   ASN A  30      40.102  36.707  28.233  1.00  0.00           H  
ATOM    435  HA  ASN A  30      42.539  37.913  27.627  1.00  0.00           H  
ATOM    436  HB2 ASN A  30      40.180  37.004  26.266  1.00  0.00           H  
ATOM    437  HB3 ASN A  30      40.707  38.537  25.556  1.00  0.00           H  
ATOM    438 HD21 ASN A  30      41.883  35.205  26.423  1.00  0.00           H  
ATOM    439 HD22 ASN A  30      42.721  35.068  24.920  1.00  0.00           H  
ATOM    440  N   LEU A  31      40.153  40.117  28.073  1.00  0.00           N  
ATOM    441  CA  LEU A  31      39.815  41.522  28.405  1.00  0.00           C  
ATOM    442  C   LEU A  31      40.718  42.151  29.493  1.00  0.00           C  
ATOM    443  O   LEU A  31      40.944  43.364  29.472  1.00  0.00           O  
ATOM    444  CB  LEU A  31      38.363  41.516  28.900  1.00  0.00           C  
ATOM    445  CG  LEU A  31      37.595  42.834  28.775  1.00  0.00           C  
ATOM    446  CD1 LEU A  31      37.178  43.069  27.322  1.00  0.00           C  
ATOM    447  CD2 LEU A  31      36.372  42.812  29.693  1.00  0.00           C  
ATOM    448  H   LEU A  31      39.373  39.479  28.113  1.00  0.00           H  
ATOM    449  HA  LEU A  31      39.878  42.125  27.499  1.00  0.00           H  
ATOM    450  HB2 LEU A  31      37.821  40.762  28.329  1.00  0.00           H  
ATOM    451  HB3 LEU A  31      38.361  41.218  29.948  1.00  0.00           H  
ATOM    452  HG  LEU A  31      38.249  43.649  29.086  1.00  0.00           H  
ATOM    453 HD11 LEU A  31      36.633  44.010  27.248  1.00  0.00           H  
ATOM    454 HD12 LEU A  31      36.538  42.251  26.991  1.00  0.00           H  
ATOM    455 HD13 LEU A  31      38.066  43.113  26.692  1.00  0.00           H  
ATOM    456 HD21 LEU A  31      35.830  43.753  29.599  1.00  0.00           H  
ATOM    457 HD22 LEU A  31      36.695  42.681  30.726  1.00  0.00           H  
ATOM    458 HD23 LEU A  31      35.719  41.987  29.409  1.00  0.00           H  
ATOM    459  N   VAL A  32      41.182  41.336  30.447  1.00  0.00           N  
ATOM    460  CA  VAL A  32      41.941  41.814  31.630  1.00  0.00           C  
ATOM    461  C   VAL A  32      43.394  41.326  31.847  1.00  0.00           C  
ATOM    462  O   VAL A  32      44.265  42.134  32.174  1.00  0.00           O  
ATOM    463  CB  VAL A  32      41.123  41.636  32.927  1.00  0.00           C  
ATOM    464  CG1 VAL A  32      39.839  42.467  32.885  1.00  0.00           C  
ATOM    465  CG2 VAL A  32      40.789  40.177  33.250  1.00  0.00           C  
ATOM    466  H   VAL A  32      40.976  40.355  30.428  1.00  0.00           H  
ATOM    467  HA  VAL A  32      42.023  42.892  31.495  1.00  0.00           H  
ATOM    468  HB  VAL A  32      41.730  42.019  33.748  1.00  0.00           H  
ATOM    469 HG11 VAL A  32      40.084  43.504  32.655  1.00  0.00           H  
ATOM    470 HG12 VAL A  32      39.343  42.418  33.854  1.00  0.00           H  
ATOM    471 HG13 VAL A  32      39.175  42.071  32.116  1.00  0.00           H  
ATOM    472 HG21 VAL A  32      41.708  39.591  33.278  1.00  0.00           H  
ATOM    473 HG22 VAL A  32      40.127  39.777  32.482  1.00  0.00           H  
ATOM    474 HG23 VAL A  32      40.294  40.124  34.220  1.00  0.00           H  
ATOM    475  N   THR A  33      43.652  40.038  31.611  1.00  0.00           N  
ATOM    476  CA  THR A  33      44.934  39.363  31.955  1.00  0.00           C  
ATOM    477  C   THR A  33      45.588  38.668  30.750  1.00  0.00           C  
ATOM    478  O   THR A  33      44.900  38.036  29.944  1.00  0.00           O  
ATOM    479  CB  THR A  33      44.734  38.356  33.109  1.00  0.00           C  
ATOM    480  OG1 THR A  33      45.961  37.689  33.440  1.00  0.00           O  
ATOM    481  CG2 THR A  33      43.639  37.321  32.837  1.00  0.00           C  
ATOM    482  H   THR A  33      42.994  39.461  31.112  1.00  0.00           H  
ATOM    483  HA  THR A  33      45.625  40.130  32.305  1.00  0.00           H  
ATOM    484  HB  THR A  33      44.429  38.926  33.986  1.00  0.00           H  
ATOM    485  HG1 THR A  33      46.400  38.177  34.228  1.00  0.00           H  
ATOM    486 HG21 THR A  33      43.555  36.648  33.690  1.00  0.00           H  
ATOM    487 HG22 THR A  33      43.894  36.748  31.946  1.00  0.00           H  
ATOM    488 HG23 THR A  33      42.688  37.831  32.681  1.00  0.00           H  
ATOM    489  N   ARG A  34      46.920  38.681  30.710  1.00  0.00           N  
ATOM    490  CA  ARG A  34      47.675  38.056  29.602  1.00  0.00           C  
ATOM    491  C   ARG A  34      47.999  36.573  29.834  1.00  0.00           C  
ATOM    492  O   ARG A  34      48.798  36.185  30.685  1.00  0.00           O  
ATOM    493  CB  ARG A  34      48.902  38.869  29.183  1.00  0.00           C  
ATOM    494  CG  ARG A  34      48.454  40.113  28.409  1.00  0.00           C  
ATOM    495  CD  ARG A  34      49.639  41.024  28.096  1.00  0.00           C  
ATOM    496  NE  ARG A  34      49.176  42.336  27.613  1.00  0.00           N  
ATOM    497  CZ  ARG A  34      49.954  43.416  27.446  1.00  0.00           C  
ATOM    498  NH1 ARG A  34      51.230  43.425  27.836  1.00  0.00           N  
ATOM    499  NH2 ARG A  34      49.440  44.551  26.970  1.00  0.00           N  
ATOM    500  H   ARG A  34      47.469  38.982  31.501  1.00  0.00           H  
ATOM    501  HA  ARG A  34      47.004  38.077  28.743  1.00  0.00           H  
ATOM    502  HB2 ARG A  34      49.455  39.174  30.071  1.00  0.00           H  
ATOM    503  HB3 ARG A  34      49.543  38.258  28.548  1.00  0.00           H  
ATOM    504  HG2 ARG A  34      47.988  39.801  27.474  1.00  0.00           H  
ATOM    505  HG3 ARG A  34      47.727  40.664  29.006  1.00  0.00           H  
ATOM    506  HD2 ARG A  34      50.230  41.165  29.001  1.00  0.00           H  
ATOM    507  HD3 ARG A  34      50.259  40.557  27.330  1.00  0.00           H  
ATOM    508  HE  ARG A  34      48.186  42.422  27.443  1.00  0.00           H  
ATOM    509 HH11 ARG A  34      51.625  42.656  28.337  1.00  0.00           H  
ATOM    510 HH12 ARG A  34      51.832  44.171  27.531  1.00  0.00           H  
ATOM    511 HH21 ARG A  34      48.455  44.625  26.799  1.00  0.00           H  
ATOM    512 HH22 ARG A  34      50.029  45.341  26.801  1.00  0.00           H  
ATOM    513  N   GLN A  35      46.974  35.850  29.419  1.00  0.00           N  
ATOM    514  CA  GLN A  35      46.909  34.384  29.265  1.00  0.00           C  
ATOM    515  C   GLN A  35      46.150  34.127  27.945  1.00  0.00           C  
ATOM    516  O   GLN A  35      45.419  35.006  27.476  1.00  0.00           O  
ATOM    517  CB  GLN A  35      46.113  33.838  30.454  1.00  0.00           C  
ATOM    518  CG  GLN A  35      46.253  32.328  30.654  1.00  0.00           C  
ATOM    519  CD  GLN A  35      45.198  31.850  31.649  1.00  0.00           C  
ATOM    520  OE1 GLN A  35      44.199  31.252  31.277  1.00  0.00           O  
ATOM    521  NE2 GLN A  35      45.516  31.870  32.922  1.00  0.00           N  
ATOM    522  H   GLN A  35      46.117  36.325  29.214  1.00  0.00           H  
ATOM    523  HA  GLN A  35      47.908  33.950  29.232  1.00  0.00           H  
ATOM    524  HB2 GLN A  35      46.461  34.337  31.358  1.00  0.00           H  
ATOM    525  HB3 GLN A  35      45.059  34.075  30.308  1.00  0.00           H  
ATOM    526  HG2 GLN A  35      46.110  31.820  29.700  1.00  0.00           H  
ATOM    527  HG3 GLN A  35      47.247  32.103  31.041  1.00  0.00           H  
ATOM    528 HE21 GLN A  35      46.462  31.985  33.255  1.00  0.00           H  
ATOM    529 HE22 GLN A  35      44.770  32.020  33.591  1.00  0.00           H  
ATOM    530  N   ARG A  36      46.437  33.018  27.277  1.00  0.00           N  
ATOM    531  CA  ARG A  36      45.768  32.683  25.999  1.00  0.00           C  
ATOM    532  C   ARG A  36      45.182  31.265  25.895  1.00  0.00           C  
ATOM    533  O   ARG A  36      45.430  30.443  26.777  1.00  0.00           O  
ATOM    534  CB  ARG A  36      46.637  33.089  24.798  1.00  0.00           C  
ATOM    535  CG  ARG A  36      48.128  32.756  24.901  1.00  0.00           C  
ATOM    536  CD  ARG A  36      48.879  33.505  23.800  1.00  0.00           C  
ATOM    537  NE  ARG A  36      50.334  33.421  24.010  1.00  0.00           N  
ATOM    538  CZ  ARG A  36      51.228  33.001  23.104  1.00  0.00           C  
ATOM    539  NH1 ARG A  36      50.861  32.619  21.878  1.00  0.00           N  
ATOM    540  NH2 ARG A  36      52.517  32.916  23.434  1.00  0.00           N  
ATOM    541  H   ARG A  36      47.079  32.332  27.621  1.00  0.00           H  
ATOM    542  HA  ARG A  36      44.904  33.346  25.955  1.00  0.00           H  
ATOM    543  HB2 ARG A  36      46.238  32.603  23.907  1.00  0.00           H  
ATOM    544  HB3 ARG A  36      46.545  34.168  24.670  1.00  0.00           H  
ATOM    545  HG2 ARG A  36      48.505  33.064  25.876  1.00  0.00           H  
ATOM    546  HG3 ARG A  36      48.272  31.683  24.776  1.00  0.00           H  
ATOM    547  HD2 ARG A  36      48.631  33.064  22.835  1.00  0.00           H  
ATOM    548  HD3 ARG A  36      48.575  34.552  23.805  1.00  0.00           H  
ATOM    549  HE  ARG A  36      50.671  33.802  24.878  1.00  0.00           H  
ATOM    550 HH11 ARG A  36      49.902  32.620  21.596  1.00  0.00           H  
ATOM    551 HH12 ARG A  36      51.572  32.333  21.228  1.00  0.00           H  
ATOM    552 HH21 ARG A  36      52.831  33.121  24.362  1.00  0.00           H  
ATOM    553 HH22 ARG A  36      53.191  32.706  22.725  1.00  0.00           H  
ATOM    554  N   TYR A  37      44.161  31.155  25.048  1.00  0.00           N  
ATOM    555  CA  TYR A  37      43.452  29.886  24.782  1.00  0.00           C  
ATOM    556  C   TYR A  37      43.521  29.398  23.327  1.00  0.00           C  
ATOM    557  O   TYR A  37      43.425  30.226  22.395  1.00  0.00           O  
ATOM    558  CB  TYR A  37      41.986  30.024  25.204  1.00  0.00           C  
ATOM    559  CG  TYR A  37      41.815  29.813  26.710  1.00  0.00           C  
ATOM    560  CD1 TYR A  37      42.002  30.855  27.610  1.00  0.00           C  
ATOM    561  CD2 TYR A  37      41.525  28.538  27.176  1.00  0.00           C  
ATOM    562  CE1 TYR A  37      41.927  30.613  28.974  1.00  0.00           C  
ATOM    563  CE2 TYR A  37      41.449  28.287  28.535  1.00  0.00           C  
ATOM    564  CZ  TYR A  37      41.669  29.325  29.429  1.00  0.00           C  
ATOM    565  OH  TYR A  37      41.726  29.069  30.757  1.00  0.00           O  
ATOM    566  OXT TYR A  37      43.570  28.165  23.152  1.00  0.00           O  
ATOM    567  H   TYR A  37      43.731  31.950  24.612  1.00  0.00           H  
ATOM    568  HA  TYR A  37      43.905  29.118  25.409  1.00  0.00           H  
ATOM    569  HB2 TYR A  37      41.635  31.023  24.944  1.00  0.00           H  
ATOM    570  HB3 TYR A  37      41.389  29.285  24.670  1.00  0.00           H  
ATOM    571  HD1 TYR A  37      42.230  31.856  27.247  1.00  0.00           H  
ATOM    572  HD2 TYR A  37      41.334  27.731  26.470  1.00  0.00           H  
ATOM    573  HE1 TYR A  37      42.079  31.435  29.678  1.00  0.00           H  
ATOM    574  HE2 TYR A  37      41.178  27.283  28.867  1.00  0.00           H  
ATOM    575  HH  TYR A  37      41.700  28.056  30.903  1.00  0.00           H  
TER     576      TYR A  37                                                      
HETATM  577 CO   CNC A 101      25.482  24.886  37.210  1.00  0.00          CO  
HETATM  578  N21 CNC A 101      24.260  23.556  37.059  1.00  0.00           N  
HETATM  579  N22 CNC A 101      26.488  23.823  38.406  1.00  0.00           N  
HETATM  580  N23 CNC A 101      26.649  26.376  37.231  1.00  0.00           N  
HETATM  581  N24 CNC A 101      24.517  25.686  35.898  1.00  0.00           N  
HETATM  582  C1  CNC A 101      23.021  23.792  36.278  1.00  0.00           C  
HETATM  583  C20 CNC A 101      21.941  24.372  37.219  1.00  0.00           C  
HETATM  584  C2  CNC A 101      22.696  22.369  35.719  1.00  0.00           C  
HETATM  585  C25 CNC A 101      21.235  22.161  35.288  1.00  0.00           C  
HETATM  586  C26 CNC A 101      23.615  22.060  34.515  1.00  0.00           C  
HETATM  587  C27 CNC A 101      23.873  20.585  34.156  1.00  0.00           C  
HETATM  588  O28 CNC A 101      22.988  19.795  33.859  1.00  0.00           O  
HETATM  589  N29 CNC A 101      25.129  20.194  34.166  1.00  0.00           N  
HETATM  590  C3  CNC A 101      23.116  21.428  36.872  1.00  0.00           C  
HETATM  591  C30 CNC A 101      22.054  21.120  37.952  1.00  0.00           C  
HETATM  592  C31 CNC A 101      21.818  19.622  38.176  1.00  0.00           C  
HETATM  593  C32 CNC A 101      20.730  19.060  37.256  1.00  0.00           C  
HETATM  594  O34 CNC A 101      20.993  18.561  36.172  1.00  0.00           O  
HETATM  595  N33 CNC A 101      19.481  19.317  37.573  1.00  0.00           N  
HETATM  596  C4  CNC A 101      24.306  22.218  37.405  1.00  0.00           C  
HETATM  597  C5  CNC A 101      25.339  21.643  38.184  1.00  0.00           C  
HETATM  598  C35 CNC A 101      25.406  20.106  38.216  1.00  0.00           C  
HETATM  599  C6  CNC A 101      26.386  22.465  38.708  1.00  0.00           C  
HETATM  600  C7  CNC A 101      27.421  21.977  39.750  1.00  0.00           C  
HETATM  601  C36 CNC A 101      26.742  21.399  40.994  1.00  0.00           C  
HETATM  602  C37 CNC A 101      28.514  21.003  39.263  1.00  0.00           C  
HETATM  603  C38 CNC A 101      29.021  21.214  37.828  1.00  0.00           C  
HETATM  604  O39 CNC A 101      28.477  20.715  36.850  1.00  0.00           O  
HETATM  605  N40 CNC A 101      30.090  21.965  37.708  1.00  0.00           N  
HETATM  606  C8  CNC A 101      28.078  23.275  40.190  1.00  0.00           C  
HETATM  607  C41 CNC A 101      27.520  23.605  41.575  1.00  0.00           C  
HETATM  608  C42 CNC A 101      28.568  24.347  42.403  1.00  0.00           C  
HETATM  609  C43 CNC A 101      28.121  24.518  43.855  1.00  0.00           C  
HETATM  610  O44 CNC A 101      27.517  23.655  44.485  1.00  0.00           O  
HETATM  611  N45 CNC A 101      28.276  25.727  44.337  1.00  0.00           N  
HETATM  612  C9  CNC A 101      27.594  24.246  39.121  1.00  0.00           C  
HETATM  613  C10 CNC A 101      28.198  25.502  38.926  1.00  0.00           C  
HETATM  614  C11 CNC A 101      27.778  26.495  38.023  1.00  0.00           C  
HETATM  615  C12 CNC A 101      28.631  27.724  37.753  1.00  0.00           C  
HETATM  616  C46 CNC A 101      29.902  27.342  37.004  1.00  0.00           C  
HETATM  617  C47 CNC A 101      28.967  28.461  39.051  1.00  0.00           C  
HETATM  618  C13 CNC A 101      27.741  28.555  36.840  1.00  0.00           C  
HETATM  619  C48 CNC A 101      27.296  29.778  37.652  1.00  0.00           C  
HETATM  620  C49 CNC A 101      27.658  31.063  36.897  1.00  0.00           C  
HETATM  621  C50 CNC A 101      26.542  32.096  37.030  1.00  0.00           C  
HETATM  622  O51 CNC A 101      25.491  31.978  36.417  1.00  0.00           O  
HETATM  623  N52 CNC A 101      26.761  33.128  37.812  1.00  0.00           N  
HETATM  624  C14 CNC A 101      26.612  27.560  36.496  1.00  0.00           C  
HETATM  625  C15 CNC A 101      25.609  27.847  35.522  1.00  0.00           C  
HETATM  626  C53 CNC A 101      25.794  29.086  34.635  1.00  0.00           C  
HETATM  627  C16 CNC A 101      24.556  26.915  35.264  1.00  0.00           C  
HETATM  628  C17 CNC A 101      23.305  27.133  34.388  1.00  0.00           C  
HETATM  629  C54 CNC A 101      23.652  26.899  32.914  1.00  0.00           C  
HETATM  630  C55 CNC A 101      22.538  28.471  34.473  1.00  0.00           C  
HETATM  631  C56 CNC A 101      21.749  28.740  35.763  1.00  0.00           C  
HETATM  632  C57 CNC A 101      21.115  30.131  35.661  1.00  0.00           C  
HETATM  633  O58 CNC A 101      19.989  30.259  35.180  1.00  0.00           O  
HETATM  634  N59 CNC A 101      21.815  31.118  36.225  1.00  0.00           N  
HETATM  635  C18 CNC A 101      22.405  25.958  34.789  1.00  0.00           C  
HETATM  636  C60 CNC A 101      21.675  25.512  33.521  1.00  0.00           C  
HETATM  637  C61 CNC A 101      20.170  25.316  33.730  1.00  0.00           C  
HETATM  638  O63 CNC A 101      19.523  25.984  34.520  1.00  0.00           O  
HETATM  639  N62 CNC A 101      19.566  24.476  32.921  1.00  0.00           N  
HETATM  640  C19 CNC A 101      23.430  24.911  35.262  1.00  0.00           C  
HETATM  641  C1P CNC A 101      21.517  32.415  36.074  1.00  0.00           C  
HETATM  642  C2P CNC A 101      22.401  33.407  36.846  1.00  0.00           C  
HETATM  643  C3P CNC A 101      22.024  34.816  36.390  1.00  0.00           C  
HETATM  644  O3  CNC A 101      22.201  33.246  38.243  1.00  0.00           O  
HETATM  645  O4  CNC A 101      22.977  33.953  40.495  1.00  0.00           O  
HETATM  646  O5  CNC A 101      24.366  34.575  38.463  1.00  0.00           O  
HETATM  647  P   CNC A 101      23.428  33.635  39.124  1.00  0.00           P  
HETATM  648  O2  CNC A 101      24.181  32.229  39.207  1.00  0.00           O  
HETATM  649  C3R CNC A 101      23.881  31.207  40.205  1.00  0.00           C  
HETATM  650  C2R CNC A 101      23.345  29.925  39.572  1.00  0.00           C  
HETATM  651  O7R CNC A 101      23.909  29.913  38.240  1.00  0.00           O  
HETATM  652  C1R CNC A 101      23.855  28.895  40.586  1.00  0.00           C  
HETATM  653  O6R CNC A 101      25.165  29.325  40.981  1.00  0.00           O  
HETATM  654  C4R CNC A 101      25.151  30.766  40.932  1.00  0.00           C  
HETATM  655  C5R CNC A 101      25.381  31.463  42.271  1.00  0.00           C  
HETATM  656  O8R CNC A 101      26.376  30.799  43.229  1.00  0.00           O  
HETATM  657  N1B CNC A 101      23.977  27.508  40.082  1.00  0.00           N  
HETATM  658  C8B CNC A 101      23.782  26.399  40.779  1.00  0.00           C  
HETATM  659  C2B CNC A 101      24.416  27.176  38.873  1.00  0.00           C  
HETATM  660  N3B CNC A 101      24.550  25.852  38.788  1.00  0.00           N  
HETATM  661  C9B CNC A 101      24.126  25.349  39.943  1.00  0.00           C  
HETATM  662  C4B CNC A 101      23.876  24.065  40.399  1.00  0.00           C  
HETATM  663  C5B CNC A 101      23.311  23.808  41.649  1.00  0.00           C  
HETATM  664  C5M CNC A 101      22.950  22.377  42.044  1.00  0.00           C  
HETATM  665  C6B CNC A 101      23.001  24.868  42.502  1.00  0.00           C  
HETATM  666  C6M CNC A 101      22.456  24.616  43.906  1.00  0.00           C  
HETATM  667  C7B CNC A 101      23.251  26.159  42.042  1.00  0.00           C  
HETATM  668  N1A CNC A 101      27.332  23.772  35.349  1.00  0.00           N  
HETATM  669  C1A CNC A 101      26.601  24.229  36.044  1.00  0.00           C  
HETATM  670 H201 CNC A 101      21.833  23.726  38.090  1.00  0.00           H  
HETATM  671 H202 CNC A 101      22.238  25.370  37.541  1.00  0.00           H  
HETATM  672 H203 CNC A 101      20.990  24.430  36.689  1.00  0.00           H  
HETATM  673 H251 CNC A 101      21.083  22.591  34.298  1.00  0.00           H  
HETATM  674 H252 CNC A 101      20.573  22.650  36.002  1.00  0.00           H  
HETATM  675 H253 CNC A 101      21.013  21.094  35.259  1.00  0.00           H  
HETATM  676 H261 CNC A 101      23.170  22.533  33.639  1.00  0.00           H  
HETATM  677 H262 CNC A 101      24.579  22.534  34.699  1.00  0.00           H  
HETATM  678 H291 CNC A 101      25.319  19.228  33.991  1.00  0.00           H  
HETATM  679 H292 CNC A 101      25.880  20.844  34.279  1.00  0.00           H  
HETATM  680  H3  CNC A 101      23.475  20.489  36.450  1.00  0.00           H  
HETATM  681 H301 CNC A 101      22.383  21.561  38.893  1.00  0.00           H  
HETATM  682 H302 CNC A 101      21.112  21.583  37.659  1.00  0.00           H  
HETATM  683 H311 CNC A 101      21.516  19.466  39.212  1.00  0.00           H  
HETATM  684 H312 CNC A 101      22.749  19.085  37.993  1.00  0.00           H  
HETATM  685 H331 CNC A 101      18.774  18.860  37.034  1.00  0.00           H  
HETATM  686 H332 CNC A 101      19.242  20.214  37.999  1.00  0.00           H  
HETATM  687 H351 CNC A 101      26.306  19.792  38.745  1.00  0.00           H  
HETATM  688 H352 CNC A 101      25.432  19.722  37.196  1.00  0.00           H  
HETATM  689 H353 CNC A 101      24.528  19.715  38.729  1.00  0.00           H  
HETATM  690 H361 CNC A 101      26.238  20.468  40.734  1.00  0.00           H  
HETATM  691 H362 CNC A 101      27.493  21.204  41.760  1.00  0.00           H  
HETATM  692 H363 CNC A 101      26.012  22.114  41.375  1.00  0.00           H  
HETATM  693 H371 CNC A 101      29.367  21.099  39.934  1.00  0.00           H  
HETATM  694 H372 CNC A 101      28.127  19.987  39.343  1.00  0.00           H  
HETATM  695 H401 CNC A 101      30.470  22.157  36.796  1.00  0.00           H  
HETATM  696 H402 CNC A 101      30.575  22.336  38.516  1.00  0.00           H  
HETATM  697  H8  CNC A 101      29.165  23.195  40.201  1.00  0.00           H  
HETATM  698 H411 CNC A 101      27.246  22.681  42.084  1.00  0.00           H  
HETATM  699 H412 CNC A 101      26.636  24.233  41.467  1.00  0.00           H  
HETATM  700 H421 CNC A 101      28.732  25.332  41.965  1.00  0.00           H  
HETATM  701 H422 CNC A 101      29.503  23.786  42.381  1.00  0.00           H  
HETATM  702 H451 CNC A 101      28.122  25.868  45.322  1.00  0.00           H  
HETATM  703 H452 CNC A 101      28.281  26.508  43.704  1.00  0.00           H  
HETATM  704  H10 CNC A 101      29.111  25.737  39.476  1.00  0.00           H  
HETATM  705 H461 CNC A 101      30.543  26.746  37.654  1.00  0.00           H  
HETATM  706 H462 CNC A 101      30.431  28.246  36.702  1.00  0.00           H  
HETATM  707 H463 CNC A 101      29.642  26.761  36.119  1.00  0.00           H  
HETATM  708 H471 CNC A 101      29.712  27.894  39.609  1.00  0.00           H  
HETATM  709 H472 CNC A 101      29.364  29.449  38.816  1.00  0.00           H  
HETATM  710 H473 CNC A 101      28.065  28.566  39.653  1.00  0.00           H  
HETATM  711  H13 CNC A 101      28.279  28.859  35.942  1.00  0.00           H  
HETATM  712 H481 CNC A 101      26.217  29.739  37.803  1.00  0.00           H  
HETATM  713 H482 CNC A 101      27.798  29.773  38.620  1.00  0.00           H  
HETATM  714 H491 CNC A 101      28.578  31.475  37.311  1.00  0.00           H  
HETATM  715 H492 CNC A 101      27.810  30.831  35.843  1.00  0.00           H  
HETATM  716 H521 CNC A 101      25.975  33.758  37.935  1.00  0.00           H  
HETATM  717 H522 CNC A 101      27.611  33.273  38.306  1.00  0.00           H  
HETATM  718 H531 CNC A 101      25.000  29.122  33.889  1.00  0.00           H  
HETATM  719 H532 CNC A 101      25.753  29.984  35.252  1.00  0.00           H  
HETATM  720 H533 CNC A 101      26.761  29.033  34.134  1.00  0.00           H  
HETATM  721 H541 CNC A 101      24.517  27.504  32.643  1.00  0.00           H  
HETATM  722 H542 CNC A 101      22.803  27.181  32.292  1.00  0.00           H  
HETATM  723 H543 CNC A 101      23.883  25.845  32.758  1.00  0.00           H  
HETATM  724 H551 CNC A 101      21.831  28.498  33.643  1.00  0.00           H  
HETATM  725 H552 CNC A 101      23.253  29.282  34.337  1.00  0.00           H  
HETATM  726 H561 CNC A 101      20.969  27.988  35.881  1.00  0.00           H  
HETATM  727 H562 CNC A 101      22.423  28.706  36.619  1.00  0.00           H  
HETATM  728  H59 CNC A 101      22.499  30.904  36.924  1.00  0.00           H  
HETATM  729  H18 CNC A 101      21.710  26.232  35.582  1.00  0.00           H  
HETATM  730 H601 CNC A 101      21.822  26.270  32.752  1.00  0.00           H  
HETATM  731 H602 CNC A 101      22.108  24.573  33.177  1.00  0.00           H  
HETATM  732 H621 CNC A 101      18.574  24.422  33.010  1.00  0.00           H  
HETATM  733 H622 CNC A 101      20.073  24.034  32.167  1.00  0.00           H  
HETATM  734 H1P1 CNC A 101      20.488  32.560  36.403  1.00  0.00           H  
HETATM  735 H1P2 CNC A 101      21.575  32.658  35.013  1.00  0.00           H  
HETATM  736  H2P CNC A 101      23.448  33.219  36.607  1.00  0.00           H  
HETATM  737 H3P1 CNC A 101      22.635  35.546  36.921  1.00  0.00           H  
HETATM  738 H3P2 CNC A 101      22.197  34.909  35.318  1.00  0.00           H  
HETATM  739 H3P3 CNC A 101      20.971  34.998  36.606  1.00  0.00           H  
HETATM  740  H3R CNC A 101      23.159  31.594  40.924  1.00  0.00           H  
HETATM  741  H2R CNC A 101      22.256  29.932  39.536  1.00  0.00           H  
HETATM  742 HOR7 CNC A 101      24.310  30.863  38.219  1.00  0.00           H  
HETATM  743  H1R CNC A 101      23.201  28.900  41.458  1.00  0.00           H  
HETATM  744  H4R CNC A 101      25.984  31.056  40.292  1.00  0.00           H  
HETATM  745  H2B CNC A 101      24.575  27.918  38.080  1.00  0.00           H  
HETATM  746  H4B CNC A 101      24.097  23.231  39.740  1.00  0.00           H  
HETATM  747 HM51 CNC A 101      23.206  21.699  41.230  1.00  0.00           H  
HETATM  748 HM52 CNC A 101      21.881  22.315  42.245  1.00  0.00           H  
HETATM  749 HM53 CNC A 101      23.505  22.096  42.939  1.00  0.00           H  
HETATM  750 HM61 CNC A 101      22.346  25.566  44.429  1.00  0.00           H  
HETATM  751 HM62 CNC A 101      21.485  24.125  43.836  1.00  0.00           H  
HETATM  752 HM63 CNC A 101      23.148  23.977  44.455  1.00  0.00           H  
HETATM  753  H7B CNC A 101      23.082  27.006  42.710  1.00  0.00           H  
HETATM  754 HC32 CNC A 101      23.841  24.424  34.378  1.00  0.00           H  
CONECT    3   22                                                                
CONECT   22    3   23   38                                                      
CONECT   23   22   24   28   39                                                 
CONECT   24   23   25   40   41                                                 
CONECT   25   24   26   42   43                                                 
CONECT   26   25   27   44   45                                                 
CONECT   27   26   34   46   47                                                 
CONECT   28   23   29   54                                                      
CONECT   29   28                                                                
CONECT   30   31   37   48   49                                                 
CONECT   31   30   32   50   51                                                 
CONECT   32   31   33   36                                                      
CONECT   33   32   34   52                                                      
CONECT   34   27   33   35                                                      
CONECT   35   34   36                                                           
CONECT   36   32   35                                                           
CONECT   37   30   53  655                                                      
CONECT   38   22                                                                
CONECT   39   23                                                                
CONECT   40   24                                                                
CONECT   41   24                                                                
CONECT   42   25                                                                
CONECT   43   25                                                                
CONECT   44   26                                                                
CONECT   45   26                                                                
CONECT   46   27                                                                
CONECT   47   27                                                                
CONECT   48   30                                                                
CONECT   49   30                                                                
CONECT   50   31                                                                
CONECT   51   31                                                                
CONECT   52   33                                                                
CONECT   53   37                                                                
CONECT   54   28                                                                
CONECT  577  578  579  580  581                                                 
CONECT  577  660  669                                                           
CONECT  578  577  582  596                                                      
CONECT  579  577  599  612                                                      
CONECT  580  577  614  624                                                      
CONECT  581  577  627  640                                                      
CONECT  582  578  583  584  640                                                 
CONECT  583  582  670  671  672                                                 
CONECT  584  582  585  586  590                                                 
CONECT  585  584  673  674  675                                                 
CONECT  586  584  587  676  677                                                 
CONECT  587  586  588  589                                                      
CONECT  588  587                                                                
CONECT  589  587  678  679                                                      
CONECT  590  584  591  596  680                                                 
CONECT  591  590  592  681  682                                                 
CONECT  592  591  593  683  684                                                 
CONECT  593  592  594  595                                                      
CONECT  594  593                                                                
CONECT  595  593  685  686                                                      
CONECT  596  578  590  597                                                      
CONECT  597  596  598  599                                                      
CONECT  598  597  687  688  689                                                 
CONECT  599  579  597  600                                                      
CONECT  600  599  601  602  606                                                 
CONECT  601  600  690  691  692                                                 
CONECT  602  600  603  693  694                                                 
CONECT  603  602  604  605                                                      
CONECT  604  603                                                                
CONECT  605  603  695  696                                                      
CONECT  606  600  607  612  697                                                 
CONECT  607  606  608  698  699                                                 
CONECT  608  607  609  700  701                                                 
CONECT  609  608  610  611                                                      
CONECT  610  609                                                                
CONECT  611  609  702  703                                                      
CONECT  612  579  606  613                                                      
CONECT  613  612  614  704                                                      
CONECT  614  580  613  615                                                      
CONECT  615  614  616  617  618                                                 
CONECT  616  615  705  706  707                                                 
CONECT  617  615  708  709  710                                                 
CONECT  618  615  619  624  711                                                 
CONECT  619  618  620  712  713                                                 
CONECT  620  619  621  714  715                                                 
CONECT  621  620  622  623                                                      
CONECT  622  621                                                                
CONECT  623  621  716  717                                                      
CONECT  624  580  618  625                                                      
CONECT  625  624  626  627                                                      
CONECT  626  625  718  719  720                                                 
CONECT  627  581  625  628                                                      
CONECT  628  627  629  630  635                                                 
CONECT  629  628  721  722  723                                                 
CONECT  630  628  631  724  725                                                 
CONECT  631  630  632  726  727                                                 
CONECT  632  631  633  634                                                      
CONECT  633  632                                                                
CONECT  634  632  641  728                                                      
CONECT  635  628  636  640  729                                                 
CONECT  636  635  637  730  731                                                 
CONECT  637  636  638  639                                                      
CONECT  638  637                                                                
CONECT  639  637  732  733                                                      
CONECT  640  581  582  635                                                      
CONECT  641  634  642  734  735                                                 
CONECT  642  641  643  644  736                                                 
CONECT  643  642  737  738  739                                                 
CONECT  644  642  647                                                           
CONECT  645  647                                                                
CONECT  646  647                                                                
CONECT  647  644  645  646  648                                                 
CONECT  648  647  649                                                           
CONECT  649  648  650  654  740                                                 
CONECT  650  649  651  652  741                                                 
CONECT  651  650  742                                                           
CONECT  652  650  653  657  743                                                 
CONECT  653  652  654                                                           
CONECT  654  649  653  655  744                                                 
CONECT  655   37  654  656                                                      
CONECT  656  655                                                                
CONECT  657  652  658  659                                                      
CONECT  658  657  661  667                                                      
CONECT  659  657  660  745                                                      
CONECT  660  577  659  661                                                      
CONECT  661  658  660  662                                                      
CONECT  662  661  663  746                                                      
CONECT  663  662  664  665                                                      
CONECT  664  663  747  748  749                                                 
CONECT  665  663  666  667                                                      
CONECT  666  665  750  751  752                                                 
CONECT  667  658  665  753                                                      
CONECT  668  669                                                                
CONECT  669  577  668                                                           
CONECT  670  583                                                                
CONECT  671  583                                                                
CONECT  672  583                                                                
CONECT  673  585                                                                
CONECT  674  585                                                                
CONECT  675  585                                                                
CONECT  676  586                                                                
CONECT  677  586                                                                
CONECT  678  589                                                                
CONECT  679  589                                                                
CONECT  680  590                                                                
CONECT  681  591                                                                
CONECT  682  591                                                                
CONECT  683  592                                                                
CONECT  684  592                                                                
CONECT  685  595                                                                
CONECT  686  595                                                                
CONECT  687  598                                                                
CONECT  688  598                                                                
CONECT  689  598                                                                
CONECT  690  601                                                                
CONECT  691  601                                                                
CONECT  692  601                                                                
CONECT  693  602                                                                
CONECT  694  602                                                                
CONECT  695  605                                                                
CONECT  696  605                                                                
CONECT  697  606                                                                
CONECT  698  607                                                                
CONECT  699  607                                                                
CONECT  700  608                                                                
CONECT  701  608                                                                
CONECT  702  611                                                                
CONECT  703  611                                                                
CONECT  704  613                                                                
CONECT  705  616                                                                
CONECT  706  616                                                                
CONECT  707  616                                                                
CONECT  708  617                                                                
CONECT  709  617                                                                
CONECT  710  617                                                                
CONECT  711  618                                                                
CONECT  712  619                                                                
CONECT  713  619                                                                
CONECT  714  620                                                                
CONECT  715  620                                                                
CONECT  716  623                                                                
CONECT  717  623                                                                
CONECT  718  626                                                                
CONECT  719  626                                                                
CONECT  720  626                                                                
CONECT  721  629                                                                
CONECT  722  629                                                                
CONECT  723  629                                                                
CONECT  724  630                                                                
CONECT  725  630                                                                
CONECT  726  631                                                                
CONECT  727  631                                                                
CONECT  728  634                                                                
CONECT  729  635                                                                
CONECT  730  636                                                                
CONECT  731  636                                                                
CONECT  732  639                                                                
CONECT  733  639                                                                
CONECT  734  641                                                                
CONECT  735  641                                                                
CONECT  736  642                                                                
CONECT  737  643                                                                
CONECT  738  643                                                                
CONECT  739  643                                                                
CONECT  740  649                                                                
CONECT  741  650                                                                
CONECT  742  651                                                                
CONECT  743  652                                                                
CONECT  744  654                                                                
CONECT  745  659                                                                
CONECT  746  662                                                                
CONECT  747  664                                                                
CONECT  748  664                                                                
CONECT  749  664                                                                
CONECT  750  666                                                                
CONECT  751  666                                                                
CONECT  752  666                                                                
CONECT  753  667                                                                
MASTER      152    0    2    1    0    0    2    6  387    1  212    3          
END