HEADER    ELECTRON TRANSPORT                      03-OCT-01   1K3H              
TITLE     NMR SOLUTION STRUCTURE OF OXIDIZED CYTOCHROME C-553 FROM              
TITLE    2 BACILLUS PASTEURII                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYTOCHROME C-553;                                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 22-92;                                            
COMPND   5 SYNONYM: C553;                                                       
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SPOROSARCINA PASTEURII;                         
SOURCE   3 ORGANISM_TAXID: 1474;                                                
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: DH5ALPHA;                                  
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PEC86                                     
KEYWDS    C-553, HEME, CYTOCHROME, BACILLUS PASTEURII, ELECTRON                 
KEYWDS   2 TRANSFER, ELECTRON TRANSPORT                                         
EXPDTA    SOLUTION NMR                                                          
AUTHOR    L.BANCI,I.BERTINI,S.CIURLI,A.DIKIY,J.DITTMER,A.ROSATO,                
AUTHOR   2 G.SCIARA,A.R.THOMPSETT                                               
REVDAT   4   24-FEB-09 1K3H    1       VERSN                                    
REVDAT   3   01-APR-03 1K3H    1       JRNL                                     
REVDAT   2   17-APR-02 1K3H    1       JRNL                                     
REVDAT   1   31-OCT-01 1K3H    0                                                
JRNL        AUTH   L.BANCI,I.BERTINI,S.CIURLI,A.DIKIY,J.DITTMER,                
JRNL        AUTH 2 A.ROSATO,G.SCIARA,A.R.THOMPSETT                              
JRNL        TITL   NMR SOLUTION STRUCTURE, BACKBONE MOBILITY, AND               
JRNL        TITL 2 HOMOLOGY MODELING OF C-TYPE CYTOCHROMES FROM                 
JRNL        TITL 3 GRAM-POSITIVE BACTERIA.                                      
JRNL        REF    CHEMBIOCHEM                   V.   3   299 2002              
JRNL        REFN                   ISSN 1439-4227                               
JRNL        PMID   11933230                                                     
JRNL        DOI    10.1002/1439-7633(20020402)3:4<299::AID-CBIC299>3.0          
JRNL        DOI  2 .CO;2-0                                                      
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   S.BENINI,A.GONZALEZ,W.R.RYPNIEWSKI,K.S.WILSON,               
REMARK   1  AUTH 2 J.J.VAN BEEUMEN,S.CIURLI                                     
REMARK   1  TITL   CRYSTAL STRUCTURE OF OXIDIZED BACILLUS PASTEURII             
REMARK   1  TITL 2 CYTOCHROME C-553 AT 0.97-A RESOLUTION                        
REMARK   1  REF    BIOCHEMISTRY                  V.  39 13115 2000              
REMARK   1  REFN                   ISSN 0006-2960                               
REMARK   1  DOI    10.1021/BI000402J                                            
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   S.BENINI,M.BORSARI,S.CIURLI,A.DIKIY,M.LAMBORGHINI            
REMARK   1  TITL   MODULATION OF BACILLUS PASTEURII CYTOCHROME C553             
REMARK   1  TITL 2 REDUCTION POTENTIAL BY STRUCTURAL AND SOLUTION               
REMARK   1  TITL 3 PARAMETERS                                                   
REMARK   1  REF    J.BIOL.INORG.CHEM.            V.   3   371 1998              
REMARK   1  REFN                   ISSN 0949-8257                               
REMARK   1  DOI    10.1007/S007750050247                                        
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER 5.0                                            
REMARK   3   AUTHORS     : KOLLMAN                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: PSEUDOCONTACT SHIFTS WERE INCLUDED        
REMARK   3  AS CONSTRAINTS BY MEANS OF MODIFIED DYANA AND SANDER MODULES        
REMARK   3  (PSEUDODYANA, PSEUDOREM) (BANCI ET AL., 1997)                       
REMARK   4                                                                      
REMARK   4 1K3H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-OCT-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB014513.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 288                                
REMARK 210  PH                             : 7.5                                
REMARK 210  IONIC STRENGTH                 : 10 MM PHOSPHATE BUFFER             
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1-3 MM OXIDIZED CYTOCHROME C-      
REMARK 210                                   553 IN 10 MM PHOSPHATE BUFFER      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, HNHA, 1D NOE             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ, 700 MHZ, 600 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 2.6, XEASY 1.3.13,         
REMARK 210                                   DYANA 1.5                          
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   RESTRAINED ENERGY MINIMIZATION     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A  31      -43.08   -161.62                                   
REMARK 500    SER A  34      -37.84    -39.76                                   
REMARK 500    ALA A  43      -82.34   -165.12                                   
REMARK 500    GLN A  68      130.03    175.33                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                             HEC A  93  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  36   NE2                                                    
REMARK 620 2 MET A  71   SD  172.3                                              
REMARK 620 N                    1                                               
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 93                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1K3G   RELATED DB: PDB                                   
REMARK 900 1K3G IS THE MINIMIZED FAMILY (30 CONFORMERS) OF OXIDIZED             
REMARK 900 CYTOCHROME C-553 FROM B. PASTEURII.                                  
REMARK 900 RELATED ID: 1C75   RELATED DB: PDB                                   
REMARK 900 1C75 IS THE X-RAY STRUCTURE OF THE CYTOCHROME C-553 FROM B.          
REMARK 900 PASTEURII.                                                           
DBREF  1K3H A   22    92  UNP    P82599   CY553_BACPA     22     92             
SEQRES   1 A   71  VAL ASP ALA GLU ALA VAL VAL GLN GLN LYS CYS ILE SER          
SEQRES   2 A   71  CYS HIS GLY GLY ASP LEU THR GLY ALA SER ALA PRO ALA          
SEQRES   3 A   71  ILE ASP LYS ALA GLY ALA ASN TYR SER GLU GLU GLU ILE          
SEQRES   4 A   71  LEU ASP ILE ILE LEU ASN GLY GLN GLY GLY MET PRO GLY          
SEQRES   5 A   71  GLY ILE ALA LYS GLY ALA GLU ALA GLU ALA VAL ALA ALA          
SEQRES   6 A   71  TRP LEU ALA GLU LYS LYS                                      
HET    HEC  A  93      75                                                       
HETNAM     HEC HEME C                                                           
FORMUL   2  HEC    C34 H34 FE N4 O4                                             
HELIX    1   1 ASP A   23  GLN A   30  1                                   8    
HELIX    2   2 CYS A   32  GLY A   37  1                                   6    
HELIX    3   3 LYS A   50  TYR A   55  1                                   6    
HELIX    4   4 SER A   56  GLY A   67  1                                  12    
HELIX    5   5 GLY A   78  LYS A   91  1                                  14    
LINK         NE2 HIS A  36                FE   HEC A  93     1555   1555  1.97  
LINK         SG  CYS A  32                 CAB HEC A  93     1555   1555  1.80  
LINK         SG  CYS A  35                 CAC HEC A  93     1555   1555  1.81  
LINK         SD  MET A  71                FE   HEC A  93     1555   1555  2.41  
SITE     1 AC1 17 LYS A  31  CYS A  32  CYS A  35  HIS A  36                    
SITE     2 AC1 17 ALA A  45  PRO A  46  ILE A  48  TYR A  55                    
SITE     3 AC1 17 ILE A  63  ILE A  64  GLN A  68  GLY A  69                    
SITE     4 AC1 17 GLY A  70  MET A  71  ILE A  75  VAL A  84                    
SITE     5 AC1 17 LEU A  88                                                     
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   VAL A  22      11.739  -0.203  -8.887  1.00 10.00           N  
ATOM      2  CA  VAL A  22      10.613  -1.047  -9.319  1.00 10.00           C  
ATOM      3  C   VAL A  22       9.403  -0.141  -9.509  1.00 10.00           C  
ATOM      4  O   VAL A  22       9.292   0.859  -8.803  1.00 10.00           O  
ATOM      5  CB  VAL A  22      10.348  -2.174  -8.299  1.00 10.00           C  
ATOM      6  CG1 VAL A  22       8.936  -2.758  -8.416  1.00 10.00           C  
ATOM      7  CG2 VAL A  22      11.358  -3.313  -8.486  1.00 10.00           C  
ATOM      8  H1  VAL A  22      11.823   0.567  -9.536  1.00 10.00           H  
ATOM      9  H2  VAL A  22      11.498   0.181  -7.983  1.00 10.00           H  
ATOM     10  H3  VAL A  22      12.597  -0.730  -8.842  1.00 10.00           H  
ATOM     11  HA  VAL A  22      10.860  -1.487 -10.287  1.00 10.00           H  
ATOM     12  HB  VAL A  22      10.452  -1.778  -7.287  1.00 10.00           H  
ATOM     13 HG11 VAL A  22       8.728  -3.072  -9.439  1.00 10.00           H  
ATOM     14 HG12 VAL A  22       8.846  -3.623  -7.762  1.00 10.00           H  
ATOM     15 HG13 VAL A  22       8.201  -2.016  -8.103  1.00 10.00           H  
ATOM     16 HG21 VAL A  22      11.201  -4.072  -7.718  1.00 10.00           H  
ATOM     17 HG22 VAL A  22      11.220  -3.774  -9.465  1.00 10.00           H  
ATOM     18 HG23 VAL A  22      12.378  -2.941  -8.405  1.00 10.00           H  
ATOM     19  N   ASP A  23       8.543  -0.470 -10.471  1.00 10.00           N  
ATOM     20  CA  ASP A  23       7.416   0.358 -10.849  1.00 10.00           C  
ATOM     21  C   ASP A  23       6.343   0.240  -9.772  1.00 10.00           C  
ATOM     22  O   ASP A  23       5.525  -0.680  -9.787  1.00 10.00           O  
ATOM     23  CB  ASP A  23       6.900  -0.095 -12.221  1.00 10.00           C  
ATOM     24  CG  ASP A  23       7.846   0.275 -13.356  1.00 10.00           C  
ATOM     25  OD1 ASP A  23       9.070   0.113 -13.149  1.00 10.00           O  
ATOM     26  OD2 ASP A  23       7.325   0.694 -14.409  1.00 10.00           O  
ATOM     27  H   ASP A  23       8.752  -1.237 -11.093  1.00 10.00           H  
ATOM     28  HA  ASP A  23       7.732   1.399 -10.940  1.00 10.00           H  
ATOM     29  HB2 ASP A  23       6.770  -1.176 -12.233  1.00 10.00           H  
ATOM     30  HB3 ASP A  23       5.937   0.379 -12.414  1.00 10.00           H  
ATOM     31  N   ALA A  24       6.343   1.206  -8.852  1.00 10.00           N  
ATOM     32  CA  ALA A  24       5.380   1.324  -7.769  1.00 10.00           C  
ATOM     33  C   ALA A  24       3.955   1.074  -8.262  1.00 10.00           C  
ATOM     34  O   ALA A  24       3.222   0.263  -7.700  1.00 10.00           O  
ATOM     35  CB  ALA A  24       5.486   2.728  -7.175  1.00 10.00           C  
ATOM     36  H   ALA A  24       7.110   1.863  -8.878  1.00 10.00           H  
ATOM     37  HA  ALA A  24       5.626   0.593  -6.998  1.00 10.00           H  
ATOM     38  HB1 ALA A  24       5.318   3.481  -7.946  1.00 10.00           H  
ATOM     39  HB2 ALA A  24       4.727   2.842  -6.404  1.00 10.00           H  
ATOM     40  HB3 ALA A  24       6.472   2.881  -6.740  1.00 10.00           H  
ATOM     41  N   GLU A  25       3.569   1.777  -9.326  1.00 10.00           N  
ATOM     42  CA  GLU A  25       2.221   1.707  -9.856  1.00 10.00           C  
ATOM     43  C   GLU A  25       1.925   0.286 -10.342  1.00 10.00           C  
ATOM     44  O   GLU A  25       0.887  -0.277 -10.007  1.00 10.00           O  
ATOM     45  CB  GLU A  25       1.982   2.773 -10.942  1.00 10.00           C  
ATOM     46  CG  GLU A  25       3.052   3.877 -11.012  1.00 10.00           C  
ATOM     47  CD  GLU A  25       2.524   5.107 -11.737  1.00 10.00           C  
ATOM     48  OE1 GLU A  25       2.124   4.942 -12.908  1.00 10.00           O  
ATOM     49  OE2 GLU A  25       2.511   6.180 -11.092  1.00 10.00           O  
ATOM     50  H   GLU A  25       4.221   2.414  -9.756  1.00 10.00           H  
ATOM     51  HA  GLU A  25       1.543   1.933  -9.031  1.00 10.00           H  
ATOM     52  HB2 GLU A  25       1.905   2.310 -11.926  1.00 10.00           H  
ATOM     53  HB3 GLU A  25       1.020   3.243 -10.735  1.00 10.00           H  
ATOM     54  HG2 GLU A  25       3.346   4.196 -10.016  1.00 10.00           H  
ATOM     55  HG3 GLU A  25       3.926   3.511 -11.551  1.00 10.00           H  
ATOM     56  N   ALA A  26       2.847  -0.315 -11.101  1.00 10.00           N  
ATOM     57  CA  ALA A  26       2.693  -1.676 -11.601  1.00 10.00           C  
ATOM     58  C   ALA A  26       2.518  -2.660 -10.444  1.00 10.00           C  
ATOM     59  O   ALA A  26       1.623  -3.503 -10.466  1.00 10.00           O  
ATOM     60  CB  ALA A  26       3.893  -2.068 -12.464  1.00 10.00           C  
ATOM     61  H   ALA A  26       3.716   0.169 -11.278  1.00 10.00           H  
ATOM     62  HA  ALA A  26       1.803  -1.711 -12.231  1.00 10.00           H  
ATOM     63  HB1 ALA A  26       4.785  -2.147 -11.845  1.00 10.00           H  
ATOM     64  HB2 ALA A  26       3.706  -3.039 -12.925  1.00 10.00           H  
ATOM     65  HB3 ALA A  26       4.054  -1.327 -13.248  1.00 10.00           H  
ATOM     66  N   VAL A  27       3.366  -2.547  -9.418  1.00 10.00           N  
ATOM     67  CA  VAL A  27       3.239  -3.362  -8.220  1.00 10.00           C  
ATOM     68  C   VAL A  27       1.846  -3.185  -7.629  1.00 10.00           C  
ATOM     69  O   VAL A  27       1.141  -4.164  -7.410  1.00 10.00           O  
ATOM     70  CB  VAL A  27       4.324  -2.978  -7.201  1.00 10.00           C  
ATOM     71  CG1 VAL A  27       4.075  -3.625  -5.832  1.00 10.00           C  
ATOM     72  CG2 VAL A  27       5.702  -3.412  -7.707  1.00 10.00           C  
ATOM     73  H   VAL A  27       4.091  -1.834  -9.460  1.00 10.00           H  
ATOM     74  HA  VAL A  27       3.336  -4.415  -8.501  1.00 10.00           H  
ATOM     75  HB  VAL A  27       4.331  -1.898  -7.064  1.00 10.00           H  
ATOM     76 HG11 VAL A  27       4.818  -3.272  -5.120  1.00 10.00           H  
ATOM     77 HG12 VAL A  27       3.094  -3.378  -5.429  1.00 10.00           H  
ATOM     78 HG13 VAL A  27       4.158  -4.701  -5.939  1.00 10.00           H  
ATOM     79 HG21 VAL A  27       6.460  -3.072  -7.001  1.00 10.00           H  
ATOM     80 HG22 VAL A  27       5.746  -4.498  -7.789  1.00 10.00           H  
ATOM     81 HG23 VAL A  27       5.911  -2.979  -8.683  1.00 10.00           H  
ATOM     82  N   VAL A  28       1.448  -1.943  -7.358  1.00 10.00           N  
ATOM     83  CA  VAL A  28       0.160  -1.628  -6.756  1.00 10.00           C  
ATOM     84  C   VAL A  28      -0.975  -2.277  -7.545  1.00 10.00           C  
ATOM     85  O   VAL A  28      -1.819  -2.975  -6.968  1.00 10.00           O  
ATOM     86  CB  VAL A  28       0.054  -0.101  -6.625  1.00 10.00           C  
ATOM     87  CG1 VAL A  28      -1.364   0.420  -6.395  1.00 10.00           C  
ATOM     88  CG2 VAL A  28       0.949   0.332  -5.460  1.00 10.00           C  
ATOM     89  H   VAL A  28       2.077  -1.174  -7.573  1.00 10.00           H  
ATOM     90  HA  VAL A  28       0.143  -2.074  -5.769  1.00 10.00           H  
ATOM     91  HB  VAL A  28       0.422   0.357  -7.542  1.00 10.00           H  
ATOM     92 HG11 VAL A  28      -1.346   1.506  -6.373  1.00 10.00           H  
ATOM     93 HG12 VAL A  28      -2.026   0.113  -7.201  1.00 10.00           H  
ATOM     94 HG13 VAL A  28      -1.749   0.063  -5.444  1.00 10.00           H  
ATOM     95 HG21 VAL A  28       1.816  -0.315  -5.404  1.00 10.00           H  
ATOM     96 HG22 VAL A  28       1.300   1.348  -5.608  1.00 10.00           H  
ATOM     97 HG23 VAL A  28       0.411   0.268  -4.515  1.00 10.00           H  
ATOM     98  N   GLN A  29      -0.933  -2.086  -8.866  1.00 10.00           N  
ATOM     99  CA  GLN A  29      -1.832  -2.684  -9.838  1.00 10.00           C  
ATOM    100  C   GLN A  29      -1.890  -4.213  -9.745  1.00 10.00           C  
ATOM    101  O   GLN A  29      -2.872  -4.795 -10.202  1.00 10.00           O  
ATOM    102  CB  GLN A  29      -1.460  -2.231 -11.254  1.00 10.00           C  
ATOM    103  CG  GLN A  29      -1.799  -0.755 -11.519  1.00 10.00           C  
ATOM    104  CD  GLN A  29      -3.291  -0.521 -11.747  1.00 10.00           C  
ATOM    105  OE1 GLN A  29      -3.804  -0.792 -12.827  1.00 10.00           O  
ATOM    106  NE2 GLN A  29      -3.997  -0.003 -10.744  1.00 10.00           N  
ATOM    107  H   GLN A  29      -0.180  -1.510  -9.229  1.00 10.00           H  
ATOM    108  HA  GLN A  29      -2.827  -2.309  -9.641  1.00 10.00           H  
ATOM    109  HB2 GLN A  29      -0.394  -2.379 -11.409  1.00 10.00           H  
ATOM    110  HB3 GLN A  29      -1.992  -2.864 -11.966  1.00 10.00           H  
ATOM    111  HG2 GLN A  29      -1.460  -0.126 -10.698  1.00 10.00           H  
ATOM    112  HG3 GLN A  29      -1.272  -0.442 -12.421  1.00 10.00           H  
ATOM    113 HE21 GLN A  29      -3.558   0.233  -9.869  1.00 10.00           H  
ATOM    114 HE22 GLN A  29      -4.976   0.208 -10.883  1.00 10.00           H  
ATOM    115  N   GLN A  30      -0.882  -4.874  -9.164  1.00 10.00           N  
ATOM    116  CA  GLN A  30      -0.899  -6.315  -8.956  1.00 10.00           C  
ATOM    117  C   GLN A  30      -0.434  -6.737  -7.562  1.00 10.00           C  
ATOM    118  O   GLN A  30       0.247  -7.748  -7.404  1.00 10.00           O  
ATOM    119  CB  GLN A  30      -0.135  -7.027 -10.088  1.00 10.00           C  
ATOM    120  CG  GLN A  30      -1.148  -7.541 -11.105  1.00 10.00           C  
ATOM    121  CD  GLN A  30      -0.587  -8.668 -11.963  1.00 10.00           C  
ATOM    122  OE1 GLN A  30      -0.322  -8.496 -13.147  1.00 10.00           O  
ATOM    123  NE2 GLN A  30      -0.416  -9.846 -11.366  1.00 10.00           N  
ATOM    124  H   GLN A  30      -0.072  -4.364  -8.825  1.00 10.00           H  
ATOM    125  HA  GLN A  30      -1.944  -6.620  -8.960  1.00 10.00           H  
ATOM    126  HB2 GLN A  30       0.567  -6.345 -10.573  1.00 10.00           H  
ATOM    127  HB3 GLN A  30       0.433  -7.881  -9.722  1.00 10.00           H  
ATOM    128  HG2 GLN A  30      -2.007  -7.945 -10.572  1.00 10.00           H  
ATOM    129  HG3 GLN A  30      -1.464  -6.695 -11.712  1.00 10.00           H  
ATOM    130 HE21 GLN A  30      -0.637  -9.957 -10.388  1.00 10.00           H  
ATOM    131 HE22 GLN A  30      -0.058 -10.616 -11.910  1.00 10.00           H  
ATOM    132  N   LYS A  31      -0.881  -6.017  -6.534  1.00 10.00           N  
ATOM    133  CA  LYS A  31      -0.720  -6.444  -5.150  1.00 10.00           C  
ATOM    134  C   LYS A  31      -1.690  -5.694  -4.248  1.00 10.00           C  
ATOM    135  O   LYS A  31      -2.254  -6.299  -3.344  1.00 10.00           O  
ATOM    136  CB  LYS A  31       0.728  -6.255  -4.658  1.00 10.00           C  
ATOM    137  CG  LYS A  31       1.618  -7.512  -4.760  1.00 10.00           C  
ATOM    138  CD  LYS A  31       2.859  -7.231  -5.618  1.00 10.00           C  
ATOM    139  CE  LYS A  31       3.623  -8.503  -6.010  1.00 10.00           C  
ATOM    140  NZ  LYS A  31       4.630  -8.902  -5.000  1.00 10.00           N  
ATOM    141  H   LYS A  31      -1.406  -5.177  -6.743  1.00 10.00           H  
ATOM    142  HA  LYS A  31      -0.998  -7.497  -5.072  1.00 10.00           H  
ATOM    143  HB2 LYS A  31       1.167  -5.427  -5.208  1.00 10.00           H  
ATOM    144  HB3 LYS A  31       0.700  -5.971  -3.609  1.00 10.00           H  
ATOM    145  HG2 LYS A  31       1.930  -7.816  -3.760  1.00 10.00           H  
ATOM    146  HG3 LYS A  31       1.052  -8.336  -5.194  1.00 10.00           H  
ATOM    147  HD2 LYS A  31       2.533  -6.742  -6.540  1.00 10.00           H  
ATOM    148  HD3 LYS A  31       3.521  -6.554  -5.080  1.00 10.00           H  
ATOM    149  HE2 LYS A  31       2.921  -9.316  -6.202  1.00 10.00           H  
ATOM    150  HE3 LYS A  31       4.153  -8.301  -6.944  1.00 10.00           H  
ATOM    151  HZ1 LYS A  31       4.242  -8.980  -4.070  1.00 10.00           H  
ATOM    152  HZ2 LYS A  31       5.058  -9.772  -5.274  1.00 10.00           H  
ATOM    153  HZ3 LYS A  31       5.388  -8.215  -4.988  1.00 10.00           H  
ATOM    154  N   CYS A  32      -1.853  -4.382  -4.435  1.00 10.00           N  
ATOM    155  CA  CYS A  32      -2.642  -3.579  -3.514  1.00 10.00           C  
ATOM    156  C   CYS A  32      -4.092  -3.514  -3.969  1.00 10.00           C  
ATOM    157  O   CYS A  32      -5.017  -3.780  -3.192  1.00 10.00           O  
ATOM    158  CB  CYS A  32      -2.022  -2.192  -3.338  1.00 10.00           C  
ATOM    159  SG  CYS A  32      -0.207  -2.221  -3.172  1.00 10.00           S  
ATOM    160  H   CYS A  32      -1.410  -3.909  -5.214  1.00 10.00           H  
ATOM    161  HA  CYS A  32      -2.661  -4.042  -2.542  1.00 10.00           H  
ATOM    162  HB2 CYS A  32      -2.271  -1.595  -4.209  1.00 10.00           H  
ATOM    163  HB3 CYS A  32      -2.470  -1.727  -2.460  1.00 10.00           H  
ATOM    164  N   ILE A  33      -4.284  -3.177  -5.246  1.00 10.00           N  
ATOM    165  CA  ILE A  33      -5.614  -2.957  -5.796  1.00 10.00           C  
ATOM    166  C   ILE A  33      -6.500  -4.187  -5.631  1.00 10.00           C  
ATOM    167  O   ILE A  33      -7.718  -4.057  -5.527  1.00 10.00           O  
ATOM    168  CB  ILE A  33      -5.539  -2.472  -7.249  1.00 10.00           C  
ATOM    169  CG1 ILE A  33      -5.005  -3.489  -8.274  1.00 10.00           C  
ATOM    170  CG2 ILE A  33      -4.731  -1.161  -7.303  1.00 10.00           C  
ATOM    171  CD1 ILE A  33      -6.017  -4.514  -8.793  1.00 10.00           C  
ATOM    172  H   ILE A  33      -3.472  -3.000  -5.833  1.00 10.00           H  
ATOM    173  HA  ILE A  33      -6.071  -2.157  -5.206  1.00 10.00           H  
ATOM    174  HB  ILE A  33      -6.556  -2.247  -7.550  1.00 10.00           H  
ATOM    175 HG12 ILE A  33      -4.754  -2.929  -9.170  1.00 10.00           H  
ATOM    176 HG13 ILE A  33      -4.116  -3.992  -7.893  1.00 10.00           H  
ATOM    177 HG21 ILE A  33      -3.878  -1.247  -7.970  1.00 10.00           H  
ATOM    178 HG22 ILE A  33      -5.367  -0.356  -7.661  1.00 10.00           H  
ATOM    179 HG23 ILE A  33      -4.361  -0.877  -6.319  1.00 10.00           H  
ATOM    180 HD11 ILE A  33      -6.906  -4.002  -9.161  1.00 10.00           H  
ATOM    181 HD12 ILE A  33      -5.557  -5.051  -9.624  1.00 10.00           H  
ATOM    182 HD13 ILE A  33      -6.302  -5.243  -8.042  1.00 10.00           H  
ATOM    183  N   SER A  34      -5.874  -5.367  -5.554  1.00 10.00           N  
ATOM    184  CA  SER A  34      -6.486  -6.641  -5.232  1.00 10.00           C  
ATOM    185  C   SER A  34      -7.537  -6.523  -4.124  1.00 10.00           C  
ATOM    186  O   SER A  34      -8.558  -7.202  -4.191  1.00 10.00           O  
ATOM    187  CB  SER A  34      -5.359  -7.598  -4.836  1.00 10.00           C  
ATOM    188  OG  SER A  34      -4.297  -7.475  -5.769  1.00 10.00           O  
ATOM    189  H   SER A  34      -4.872  -5.401  -5.688  1.00 10.00           H  
ATOM    190  HA  SER A  34      -6.970  -7.022  -6.133  1.00 10.00           H  
ATOM    191  HB2 SER A  34      -4.981  -7.330  -3.849  1.00 10.00           H  
ATOM    192  HB3 SER A  34      -5.734  -8.622  -4.799  1.00 10.00           H  
ATOM    193  HG  SER A  34      -4.587  -7.824  -6.616  1.00 10.00           H  
ATOM    194  N   CYS A  35      -7.283  -5.673  -3.120  1.00 10.00           N  
ATOM    195  CA  CYS A  35      -8.245  -5.375  -2.063  1.00 10.00           C  
ATOM    196  C   CYS A  35      -8.635  -3.897  -2.041  1.00 10.00           C  
ATOM    197  O   CYS A  35      -9.788  -3.569  -1.767  1.00 10.00           O  
ATOM    198  CB  CYS A  35      -7.657  -5.738  -0.705  1.00 10.00           C  
ATOM    199  SG  CYS A  35      -7.057  -7.446  -0.671  1.00 10.00           S  
ATOM    200  H   CYS A  35      -6.409  -5.158  -3.135  1.00 10.00           H  
ATOM    201  HA  CYS A  35      -9.152  -5.959  -2.210  1.00 10.00           H  
ATOM    202  HB2 CYS A  35      -6.852  -5.034  -0.505  1.00 10.00           H  
ATOM    203  HB3 CYS A  35      -8.426  -5.626   0.058  1.00 10.00           H  
ATOM    204  N   HIS A  36      -7.669  -3.003  -2.270  1.00 10.00           N  
ATOM    205  CA  HIS A  36      -7.867  -1.563  -2.178  1.00 10.00           C  
ATOM    206  C   HIS A  36      -8.620  -0.985  -3.385  1.00 10.00           C  
ATOM    207  O   HIS A  36      -8.958   0.202  -3.389  1.00 10.00           O  
ATOM    208  CB  HIS A  36      -6.498  -0.910  -1.954  1.00 10.00           C  
ATOM    209  CG  HIS A  36      -6.002  -1.115  -0.541  1.00 10.00           C  
ATOM    210  ND1 HIS A  36      -6.503  -0.471   0.561  1.00 10.00           N  
ATOM    211  CD2 HIS A  36      -5.000  -1.942  -0.109  1.00 10.00           C  
ATOM    212  CE1 HIS A  36      -5.811  -0.882   1.634  1.00 10.00           C  
ATOM    213  NE2 HIS A  36      -4.880  -1.781   1.284  1.00 10.00           N  
ATOM    214  H   HIS A  36      -6.726  -3.327  -2.454  1.00 10.00           H  
ATOM    215  HA  HIS A  36      -8.492  -1.337  -1.312  1.00 10.00           H  
ATOM    216  HB2 HIS A  36      -5.772  -1.293  -2.672  1.00 10.00           H  
ATOM    217  HB3 HIS A  36      -6.593   0.160  -2.130  1.00 10.00           H  
ATOM    218  HD1 HIS A  36      -7.250   0.215   0.566  1.00 10.00           H  
ATOM    219  HD2 HIS A  36      -4.405  -2.584  -0.743  1.00 10.00           H  
ATOM    220  HE1 HIS A  36      -5.980  -0.516   2.636  1.00 10.00           H  
ATOM    221  N   GLY A  37      -8.909  -1.818  -4.389  1.00 10.00           N  
ATOM    222  CA  GLY A  37      -9.615  -1.420  -5.589  1.00 10.00           C  
ATOM    223  C   GLY A  37      -8.635  -0.802  -6.577  1.00 10.00           C  
ATOM    224  O   GLY A  37      -7.642  -0.198  -6.169  1.00 10.00           O  
ATOM    225  H   GLY A  37      -8.538  -2.762  -4.382  1.00 10.00           H  
ATOM    226  HA2 GLY A  37     -10.067  -2.310  -6.027  1.00 10.00           H  
ATOM    227  HA3 GLY A  37     -10.402  -0.700  -5.357  1.00 10.00           H  
ATOM    228  N   GLY A  38      -8.930  -0.943  -7.876  1.00 10.00           N  
ATOM    229  CA  GLY A  38      -8.152  -0.398  -8.988  1.00 10.00           C  
ATOM    230  C   GLY A  38      -7.642   1.018  -8.727  1.00 10.00           C  
ATOM    231  O   GLY A  38      -6.540   1.367  -9.152  1.00 10.00           O  
ATOM    232  H   GLY A  38      -9.762  -1.459  -8.117  1.00 10.00           H  
ATOM    233  HA2 GLY A  38      -7.311  -1.047  -9.227  1.00 10.00           H  
ATOM    234  HA3 GLY A  38      -8.798  -0.356  -9.865  1.00 10.00           H  
ATOM    235  N   ASP A  39      -8.456   1.807  -8.019  1.00 10.00           N  
ATOM    236  CA  ASP A  39      -8.267   3.231  -7.854  1.00 10.00           C  
ATOM    237  C   ASP A  39      -7.763   3.581  -6.450  1.00 10.00           C  
ATOM    238  O   ASP A  39      -7.583   4.768  -6.188  1.00 10.00           O  
ATOM    239  CB  ASP A  39      -9.583   3.958  -8.184  1.00 10.00           C  
ATOM    240  CG  ASP A  39      -9.972   3.937  -9.660  1.00 10.00           C  
ATOM    241  OD1 ASP A  39      -9.417   3.105 -10.410  1.00 10.00           O  
ATOM    242  OD2 ASP A  39     -10.853   4.752 -10.008  1.00 10.00           O  
ATOM    243  H   ASP A  39      -9.308   1.415  -7.653  1.00 10.00           H  
ATOM    244  HA  ASP A  39      -7.514   3.594  -8.556  1.00 10.00           H  
ATOM    245  HB2 ASP A  39     -10.400   3.525  -7.614  1.00 10.00           H  
ATOM    246  HB3 ASP A  39      -9.484   5.008  -7.909  1.00 10.00           H  
ATOM    247  N   LEU A  40      -7.531   2.619  -5.530  1.00 10.00           N  
ATOM    248  CA  LEU A  40      -6.999   2.927  -4.201  1.00 10.00           C  
ATOM    249  C   LEU A  40      -8.031   3.659  -3.337  1.00 10.00           C  
ATOM    250  O   LEU A  40      -7.712   4.153  -2.251  1.00 10.00           O  
ATOM    251  CB  LEU A  40      -5.682   3.721  -4.290  1.00 10.00           C  
ATOM    252  CG  LEU A  40      -4.701   3.203  -5.352  1.00 10.00           C  
ATOM    253  CD1 LEU A  40      -3.498   4.148  -5.428  1.00 10.00           C  
ATOM    254  CD2 LEU A  40      -4.249   1.774  -5.048  1.00 10.00           C  
ATOM    255  H   LEU A  40      -7.731   1.629  -5.680  1.00 10.00           H  
ATOM    256  HA  LEU A  40      -6.800   1.973  -3.714  1.00 10.00           H  
ATOM    257  HB2 LEU A  40      -5.898   4.769  -4.491  1.00 10.00           H  
ATOM    258  HB3 LEU A  40      -5.196   3.688  -3.320  1.00 10.00           H  
ATOM    259  HG  LEU A  40      -5.158   3.199  -6.341  1.00 10.00           H  
ATOM    260 HD11 LEU A  40      -2.661   3.636  -5.895  1.00 10.00           H  
ATOM    261 HD12 LEU A  40      -3.767   5.014  -6.033  1.00 10.00           H  
ATOM    262 HD13 LEU A  40      -3.203   4.481  -4.434  1.00 10.00           H  
ATOM    263 HD21 LEU A  40      -3.638   1.749  -4.146  1.00 10.00           H  
ATOM    264 HD22 LEU A  40      -5.105   1.111  -4.932  1.00 10.00           H  
ATOM    265 HD23 LEU A  40      -3.672   1.421  -5.897  1.00 10.00           H  
ATOM    266  N   THR A  41      -9.272   3.681  -3.828  1.00 10.00           N  
ATOM    267  CA  THR A  41     -10.462   4.313  -3.294  1.00 10.00           C  
ATOM    268  C   THR A  41     -11.079   3.426  -2.217  1.00 10.00           C  
ATOM    269  O   THR A  41     -11.969   3.859  -1.489  1.00 10.00           O  
ATOM    270  CB  THR A  41     -11.434   4.458  -4.472  1.00 10.00           C  
ATOM    271  OG1 THR A  41     -11.343   3.287  -5.268  1.00 10.00           O  
ATOM    272  CG2 THR A  41     -11.065   5.668  -5.335  1.00 10.00           C  
ATOM    273  H   THR A  41      -9.473   3.116  -4.642  1.00 10.00           H  
ATOM    274  HA  THR A  41     -10.229   5.292  -2.874  1.00 10.00           H  
ATOM    275  HB  THR A  41     -12.456   4.581  -4.106  1.00 10.00           H  
ATOM    276  HG1 THR A  41     -11.978   3.351  -5.987  1.00 10.00           H  
ATOM    277 HG21 THR A  41     -11.242   6.586  -4.776  1.00 10.00           H  
ATOM    278 HG22 THR A  41     -10.014   5.625  -5.617  1.00 10.00           H  
ATOM    279 HG23 THR A  41     -11.674   5.682  -6.240  1.00 10.00           H  
ATOM    280  N   GLY A  42     -10.603   2.186  -2.129  1.00 10.00           N  
ATOM    281  CA  GLY A  42     -11.091   1.177  -1.222  1.00 10.00           C  
ATOM    282  C   GLY A  42     -12.069   0.272  -1.960  1.00 10.00           C  
ATOM    283  O   GLY A  42     -12.648   0.653  -2.976  1.00 10.00           O  
ATOM    284  H   GLY A  42      -9.975   1.865  -2.857  1.00 10.00           H  
ATOM    285  HA2 GLY A  42     -10.224   0.596  -0.910  1.00 10.00           H  
ATOM    286  HA3 GLY A  42     -11.565   1.611  -0.342  1.00 10.00           H  
ATOM    287  N   ALA A  43     -12.230  -0.943  -1.444  1.00 10.00           N  
ATOM    288  CA  ALA A  43     -13.108  -1.960  -2.018  1.00 10.00           C  
ATOM    289  C   ALA A  43     -13.340  -3.075  -0.997  1.00 10.00           C  
ATOM    290  O   ALA A  43     -14.330  -3.048  -0.271  1.00 10.00           O  
ATOM    291  CB  ALA A  43     -12.549  -2.479  -3.353  1.00 10.00           C  
ATOM    292  H   ALA A  43     -11.767  -1.093  -0.553  1.00 10.00           H  
ATOM    293  HA  ALA A  43     -14.077  -1.500  -2.223  1.00 10.00           H  
ATOM    294  HB1 ALA A  43     -11.529  -2.841  -3.246  1.00 10.00           H  
ATOM    295  HB2 ALA A  43     -13.176  -3.291  -3.722  1.00 10.00           H  
ATOM    296  HB3 ALA A  43     -12.549  -1.681  -4.095  1.00 10.00           H  
ATOM    297  N   SER A  44     -12.404  -4.022  -0.898  1.00 10.00           N  
ATOM    298  CA  SER A  44     -12.357  -5.011   0.178  1.00 10.00           C  
ATOM    299  C   SER A  44     -11.468  -4.518   1.326  1.00 10.00           C  
ATOM    300  O   SER A  44     -11.248  -5.242   2.294  1.00 10.00           O  
ATOM    301  CB  SER A  44     -11.846  -6.347  -0.369  1.00 10.00           C  
ATOM    302  OG  SER A  44     -12.737  -6.849  -1.347  1.00 10.00           O  
ATOM    303  H   SER A  44     -11.585  -3.957  -1.497  1.00 10.00           H  
ATOM    304  HA  SER A  44     -13.357  -5.176   0.582  1.00 10.00           H  
ATOM    305  HB2 SER A  44     -10.863  -6.207  -0.813  1.00 10.00           H  
ATOM    306  HB3 SER A  44     -11.754  -7.067   0.447  1.00 10.00           H  
ATOM    307  HG  SER A  44     -13.586  -7.026  -0.933  1.00 10.00           H  
ATOM    308  N   ALA A  45     -10.926  -3.306   1.200  1.00 10.00           N  
ATOM    309  CA  ALA A  45     -10.017  -2.669   2.130  1.00 10.00           C  
ATOM    310  C   ALA A  45     -10.294  -1.162   2.068  1.00 10.00           C  
ATOM    311  O   ALA A  45     -10.899  -0.722   1.087  1.00 10.00           O  
ATOM    312  CB  ALA A  45      -8.599  -3.015   1.676  1.00 10.00           C  
ATOM    313  H   ALA A  45     -11.140  -2.757   0.382  1.00 10.00           H  
ATOM    314  HA  ALA A  45     -10.194  -3.041   3.140  1.00 10.00           H  
ATOM    315  HB1 ALA A  45      -8.458  -2.725   0.636  1.00 10.00           H  
ATOM    316  HB2 ALA A  45      -7.856  -2.510   2.281  1.00 10.00           H  
ATOM    317  HB3 ALA A  45      -8.458  -4.091   1.764  1.00 10.00           H  
ATOM    318  N   PRO A  46      -9.902  -0.379   3.089  1.00 10.00           N  
ATOM    319  CA  PRO A  46     -10.120   1.062   3.135  1.00 10.00           C  
ATOM    320  C   PRO A  46      -9.295   1.780   2.064  1.00 10.00           C  
ATOM    321  O   PRO A  46      -8.390   1.198   1.472  1.00 10.00           O  
ATOM    322  CB  PRO A  46      -9.705   1.494   4.547  1.00 10.00           C  
ATOM    323  CG  PRO A  46      -8.669   0.445   4.945  1.00 10.00           C  
ATOM    324  CD  PRO A  46      -9.223  -0.821   4.295  1.00 10.00           C  
ATOM    325  HA  PRO A  46     -11.176   1.284   2.977  1.00 10.00           H  
ATOM    326  HB2 PRO A  46      -9.296   2.505   4.586  1.00 10.00           H  
ATOM    327  HB3 PRO A  46     -10.563   1.413   5.216  1.00 10.00           H  
ATOM    328  HG2 PRO A  46      -7.706   0.696   4.497  1.00 10.00           H  
ATOM    329  HG3 PRO A  46      -8.566   0.351   6.027  1.00 10.00           H  
ATOM    330  HD2 PRO A  46      -8.406  -1.501   4.084  1.00 10.00           H  
ATOM    331  HD3 PRO A  46      -9.942  -1.297   4.964  1.00 10.00           H  
ATOM    332  N   ALA A  47      -9.600   3.051   1.808  1.00 10.00           N  
ATOM    333  CA  ALA A  47      -8.949   3.816   0.755  1.00 10.00           C  
ATOM    334  C   ALA A  47      -7.532   4.212   1.173  1.00 10.00           C  
ATOM    335  O   ALA A  47      -7.348   4.803   2.235  1.00 10.00           O  
ATOM    336  CB  ALA A  47      -9.798   5.045   0.437  1.00 10.00           C  
ATOM    337  H   ALA A  47     -10.321   3.505   2.348  1.00 10.00           H  
ATOM    338  HA  ALA A  47      -8.907   3.195  -0.142  1.00 10.00           H  
ATOM    339  HB1 ALA A  47     -10.852   4.769   0.474  1.00 10.00           H  
ATOM    340  HB2 ALA A  47      -9.614   5.836   1.164  1.00 10.00           H  
ATOM    341  HB3 ALA A  47      -9.552   5.406  -0.560  1.00 10.00           H  
ATOM    342  N   ILE A  48      -6.535   3.876   0.350  1.00 10.00           N  
ATOM    343  CA  ILE A  48      -5.131   4.220   0.572  1.00 10.00           C  
ATOM    344  C   ILE A  48      -4.642   5.282  -0.411  1.00 10.00           C  
ATOM    345  O   ILE A  48      -3.485   5.692  -0.328  1.00 10.00           O  
ATOM    346  CB  ILE A  48      -4.245   2.963   0.582  1.00 10.00           C  
ATOM    347  CG1 ILE A  48      -4.436   2.138  -0.699  1.00 10.00           C  
ATOM    348  CG2 ILE A  48      -4.579   2.162   1.846  1.00 10.00           C  
ATOM    349  CD1 ILE A  48      -3.359   1.070  -0.903  1.00 10.00           C  
ATOM    350  H   ILE A  48      -6.794   3.525  -0.566  1.00 10.00           H  
ATOM    351  HA  ILE A  48      -5.019   4.686   1.552  1.00 10.00           H  
ATOM    352  HB  ILE A  48      -3.199   3.267   0.644  1.00 10.00           H  
ATOM    353 HG12 ILE A  48      -5.419   1.672  -0.692  1.00 10.00           H  
ATOM    354 HG13 ILE A  48      -4.374   2.804  -1.554  1.00 10.00           H  
ATOM    355 HG21 ILE A  48      -4.351   2.757   2.731  1.00 10.00           H  
ATOM    356 HG22 ILE A  48      -5.635   1.902   1.864  1.00 10.00           H  
ATOM    357 HG23 ILE A  48      -3.987   1.255   1.882  1.00 10.00           H  
ATOM    358 HD11 ILE A  48      -2.400   1.550  -1.087  1.00 10.00           H  
ATOM    359 HD12 ILE A  48      -3.277   0.424  -0.033  1.00 10.00           H  
ATOM    360 HD13 ILE A  48      -3.618   0.460  -1.768  1.00 10.00           H  
ATOM    361  N   ASP A  49      -5.519   5.751  -1.309  1.00 10.00           N  
ATOM    362  CA  ASP A  49      -5.250   6.839  -2.238  1.00 10.00           C  
ATOM    363  C   ASP A  49      -4.420   7.967  -1.616  1.00 10.00           C  
ATOM    364  O   ASP A  49      -3.488   8.457  -2.243  1.00 10.00           O  
ATOM    365  CB  ASP A  49      -6.582   7.389  -2.753  1.00 10.00           C  
ATOM    366  CG  ASP A  49      -6.345   8.661  -3.553  1.00 10.00           C  
ATOM    367  OD1 ASP A  49      -5.497   8.597  -4.480  1.00 10.00           O  
ATOM    368  OD2 ASP A  49      -6.989   9.666  -3.186  1.00 10.00           O  
ATOM    369  H   ASP A  49      -6.432   5.313  -1.392  1.00 10.00           H  
ATOM    370  HA  ASP A  49      -4.695   6.442  -3.089  1.00 10.00           H  
ATOM    371  HB2 ASP A  49      -7.075   6.662  -3.398  1.00 10.00           H  
ATOM    372  HB3 ASP A  49      -7.240   7.615  -1.912  1.00 10.00           H  
ATOM    373  N   LYS A  50      -4.745   8.355  -0.378  1.00 10.00           N  
ATOM    374  CA  LYS A  50      -4.105   9.447   0.332  1.00 10.00           C  
ATOM    375  C   LYS A  50      -3.497   8.936   1.636  1.00 10.00           C  
ATOM    376  O   LYS A  50      -3.446   9.647   2.643  1.00 10.00           O  
ATOM    377  CB  LYS A  50      -5.112  10.590   0.512  1.00 10.00           C  
ATOM    378  CG  LYS A  50      -6.390  10.174   1.251  1.00 10.00           C  
ATOM    379  CD  LYS A  50      -7.406  11.316   1.165  1.00 10.00           C  
ATOM    380  CE  LYS A  50      -8.607  11.018   2.078  1.00 10.00           C  
ATOM    381  NZ  LYS A  50      -9.733  11.956   1.861  1.00 10.00           N  
ATOM    382  H   LYS A  50      -5.415   7.813   0.139  1.00 10.00           H  
ATOM    383  HA  LYS A  50      -3.273   9.827  -0.254  1.00 10.00           H  
ATOM    384  HB2 LYS A  50      -4.637  11.413   1.048  1.00 10.00           H  
ATOM    385  HB3 LYS A  50      -5.385  10.945  -0.483  1.00 10.00           H  
ATOM    386  HG2 LYS A  50      -6.829   9.293   0.781  1.00 10.00           H  
ATOM    387  HG3 LYS A  50      -6.147   9.948   2.291  1.00 10.00           H  
ATOM    388  HD2 LYS A  50      -6.910  12.244   1.466  1.00 10.00           H  
ATOM    389  HD3 LYS A  50      -7.708  11.406   0.117  1.00 10.00           H  
ATOM    390  HE2 LYS A  50      -8.943   9.989   1.914  1.00 10.00           H  
ATOM    391  HE3 LYS A  50      -8.280  11.093   3.118  1.00 10.00           H  
ATOM    392  HZ1 LYS A  50     -10.009  12.530   1.076  1.00 10.00           H  
ATOM    393  HZ2 LYS A  50      -9.027  12.676   1.901  1.00 10.00           H  
ATOM    394  HZ3 LYS A  50      -9.977  11.292   1.139  1.00 10.00           H  
ATOM    395  N   ALA A  51      -2.996   7.697   1.614  1.00 10.00           N  
ATOM    396  CA  ALA A  51      -2.210   7.165   2.711  1.00 10.00           C  
ATOM    397  C   ALA A  51      -1.070   8.135   3.023  1.00 10.00           C  
ATOM    398  O   ALA A  51      -0.852   8.457   4.185  1.00 10.00           O  
ATOM    399  CB  ALA A  51      -1.698   5.766   2.365  1.00 10.00           C  
ATOM    400  H   ALA A  51      -3.065   7.147   0.763  1.00 10.00           H  
ATOM    401  HA  ALA A  51      -2.849   7.082   3.593  1.00 10.00           H  
ATOM    402  HB1 ALA A  51      -2.542   5.094   2.214  1.00 10.00           H  
ATOM    403  HB2 ALA A  51      -1.097   5.798   1.455  1.00 10.00           H  
ATOM    404  HB3 ALA A  51      -1.095   5.387   3.190  1.00 10.00           H  
ATOM    405  N   GLY A  52      -0.408   8.666   1.989  1.00 10.00           N  
ATOM    406  CA  GLY A  52       0.670   9.635   2.124  1.00 10.00           C  
ATOM    407  C   GLY A  52       0.303  10.875   2.939  1.00 10.00           C  
ATOM    408  O   GLY A  52       1.177  11.501   3.534  1.00 10.00           O  
ATOM    409  H   GLY A  52      -0.653   8.393   1.045  1.00 10.00           H  
ATOM    410  HA2 GLY A  52       1.525   9.148   2.590  1.00 10.00           H  
ATOM    411  HA3 GLY A  52       0.953   9.977   1.131  1.00 10.00           H  
ATOM    412  N   ALA A  53      -0.977  11.263   2.963  1.00 10.00           N  
ATOM    413  CA  ALA A  53      -1.418  12.385   3.782  1.00 10.00           C  
ATOM    414  C   ALA A  53      -1.521  11.979   5.254  1.00 10.00           C  
ATOM    415  O   ALA A  53      -1.380  12.820   6.138  1.00 10.00           O  
ATOM    416  CB  ALA A  53      -2.763  12.906   3.273  1.00 10.00           C  
ATOM    417  H   ALA A  53      -1.680  10.705   2.494  1.00 10.00           H  
ATOM    418  HA  ALA A  53      -0.697  13.201   3.701  1.00 10.00           H  
ATOM    419  HB1 ALA A  53      -3.531  12.140   3.381  1.00 10.00           H  
ATOM    420  HB2 ALA A  53      -3.054  13.780   3.857  1.00 10.00           H  
ATOM    421  HB3 ALA A  53      -2.680  13.192   2.225  1.00 10.00           H  
ATOM    422  N   ASN A  54      -1.809  10.701   5.513  1.00 10.00           N  
ATOM    423  CA  ASN A  54      -2.048  10.177   6.851  1.00 10.00           C  
ATOM    424  C   ASN A  54      -0.736   9.747   7.501  1.00 10.00           C  
ATOM    425  O   ASN A  54      -0.519  10.010   8.681  1.00 10.00           O  
ATOM    426  CB  ASN A  54      -3.012   8.983   6.784  1.00 10.00           C  
ATOM    427  CG  ASN A  54      -4.440   9.397   6.442  1.00 10.00           C  
ATOM    428  OD1 ASN A  54      -5.275   9.542   7.328  1.00 10.00           O  
ATOM    429  ND2 ASN A  54      -4.761   9.586   5.163  1.00 10.00           N  
ATOM    430  H   ASN A  54      -1.791  10.036   4.749  1.00 10.00           H  
ATOM    431  HA  ASN A  54      -2.505  10.944   7.479  1.00 10.00           H  
ATOM    432  HB2 ASN A  54      -2.660   8.243   6.066  1.00 10.00           H  
ATOM    433  HB3 ASN A  54      -3.035   8.511   7.767  1.00 10.00           H  
ATOM    434 HD21 ASN A  54      -4.081   9.505   4.410  1.00 10.00           H  
ATOM    435 HD22 ASN A  54      -5.713   9.842   4.966  1.00 10.00           H  
ATOM    436  N   TYR A  55       0.106   9.040   6.744  1.00 10.00           N  
ATOM    437  CA  TYR A  55       1.259   8.301   7.233  1.00 10.00           C  
ATOM    438  C   TYR A  55       2.431   8.540   6.276  1.00 10.00           C  
ATOM    439  O   TYR A  55       2.215   8.648   5.070  1.00 10.00           O  
ATOM    440  CB  TYR A  55       0.898   6.809   7.259  1.00 10.00           C  
ATOM    441  CG  TYR A  55      -0.446   6.448   7.859  1.00 10.00           C  
ATOM    442  CD1 TYR A  55      -0.734   6.773   9.197  1.00 10.00           C  
ATOM    443  CD2 TYR A  55      -1.382   5.721   7.099  1.00 10.00           C  
ATOM    444  CE1 TYR A  55      -1.965   6.394   9.763  1.00 10.00           C  
ATOM    445  CE2 TYR A  55      -2.601   5.325   7.674  1.00 10.00           C  
ATOM    446  CZ  TYR A  55      -2.889   5.652   9.010  1.00 10.00           C  
ATOM    447  OH  TYR A  55      -4.063   5.260   9.580  1.00 10.00           O  
ATOM    448  H   TYR A  55      -0.106   8.917   5.760  1.00 10.00           H  
ATOM    449  HA  TYR A  55       1.532   8.629   8.238  1.00 10.00           H  
ATOM    450  HB2 TYR A  55       0.926   6.439   6.235  1.00 10.00           H  
ATOM    451  HB3 TYR A  55       1.648   6.277   7.832  1.00 10.00           H  
ATOM    452  HD1 TYR A  55      -0.009   7.309   9.794  1.00 10.00           H  
ATOM    453  HD2 TYR A  55      -1.164   5.451   6.077  1.00 10.00           H  
ATOM    454  HE1 TYR A  55      -2.184   6.648  10.789  1.00 10.00           H  
ATOM    455  HE2 TYR A  55      -3.314   4.770   7.085  1.00 10.00           H  
ATOM    456  HH  TYR A  55      -4.584   4.665   9.015  1.00 10.00           H  
ATOM    457  N   SER A  56       3.663   8.619   6.788  1.00 10.00           N  
ATOM    458  CA  SER A  56       4.842   8.819   5.949  1.00 10.00           C  
ATOM    459  C   SER A  56       5.283   7.497   5.317  1.00 10.00           C  
ATOM    460  O   SER A  56       4.863   6.425   5.756  1.00 10.00           O  
ATOM    461  CB  SER A  56       5.972   9.431   6.782  1.00 10.00           C  
ATOM    462  OG  SER A  56       5.493  10.575   7.464  1.00 10.00           O  
ATOM    463  H   SER A  56       3.801   8.481   7.780  1.00 10.00           H  
ATOM    464  HA  SER A  56       4.599   9.520   5.148  1.00 10.00           H  
ATOM    465  HB2 SER A  56       6.334   8.705   7.512  1.00 10.00           H  
ATOM    466  HB3 SER A  56       6.801   9.711   6.125  1.00 10.00           H  
ATOM    467  HG  SER A  56       5.133  11.190   6.820  1.00 10.00           H  
ATOM    468  N   GLU A  57       6.157   7.564   4.311  1.00 10.00           N  
ATOM    469  CA  GLU A  57       6.683   6.414   3.597  1.00 10.00           C  
ATOM    470  C   GLU A  57       7.162   5.319   4.551  1.00 10.00           C  
ATOM    471  O   GLU A  57       6.809   4.162   4.358  1.00 10.00           O  
ATOM    472  CB  GLU A  57       7.731   6.821   2.554  1.00 10.00           C  
ATOM    473  CG  GLU A  57       8.923   7.636   3.066  1.00 10.00           C  
ATOM    474  CD  GLU A  57       8.717   9.152   3.070  1.00 10.00           C  
ATOM    475  OE1 GLU A  57       7.611   9.591   3.458  1.00 10.00           O  
ATOM    476  OE2 GLU A  57       9.676   9.850   2.682  1.00 10.00           O  
ATOM    477  H   GLU A  57       6.510   8.474   4.014  1.00 10.00           H  
ATOM    478  HA  GLU A  57       5.870   5.997   3.015  1.00 10.00           H  
ATOM    479  HB2 GLU A  57       8.108   5.902   2.101  1.00 10.00           H  
ATOM    480  HB3 GLU A  57       7.256   7.402   1.770  1.00 10.00           H  
ATOM    481  HG2 GLU A  57       9.227   7.299   4.051  1.00 10.00           H  
ATOM    482  HG3 GLU A  57       9.737   7.431   2.375  1.00 10.00           H  
ATOM    483  N   GLU A  58       7.906   5.675   5.602  1.00 10.00           N  
ATOM    484  CA  GLU A  58       8.320   4.736   6.637  1.00 10.00           C  
ATOM    485  C   GLU A  58       7.125   3.961   7.205  1.00 10.00           C  
ATOM    486  O   GLU A  58       7.158   2.735   7.289  1.00 10.00           O  
ATOM    487  CB  GLU A  58       9.066   5.485   7.751  1.00 10.00           C  
ATOM    488  CG  GLU A  58      10.528   5.740   7.366  1.00 10.00           C  
ATOM    489  CD  GLU A  58      11.274   6.476   8.473  1.00 10.00           C  
ATOM    490  OE1 GLU A  58      11.368   5.893   9.574  1.00 10.00           O  
ATOM    491  OE2 GLU A  58      11.735   7.604   8.199  1.00 10.00           O  
ATOM    492  H   GLU A  58       8.184   6.641   5.687  1.00 10.00           H  
ATOM    493  HA  GLU A  58       8.999   4.006   6.193  1.00 10.00           H  
ATOM    494  HB2 GLU A  58       8.573   6.432   7.979  1.00 10.00           H  
ATOM    495  HB3 GLU A  58       9.065   4.878   8.659  1.00 10.00           H  
ATOM    496  HG2 GLU A  58      11.029   4.784   7.213  1.00 10.00           H  
ATOM    497  HG3 GLU A  58      10.584   6.320   6.446  1.00 10.00           H  
ATOM    498  N   GLU A  59       6.059   4.667   7.586  1.00 10.00           N  
ATOM    499  CA  GLU A  59       4.909   4.060   8.229  1.00 10.00           C  
ATOM    500  C   GLU A  59       4.152   3.192   7.223  1.00 10.00           C  
ATOM    501  O   GLU A  59       3.745   2.068   7.518  1.00 10.00           O  
ATOM    502  CB  GLU A  59       4.017   5.163   8.800  1.00 10.00           C  
ATOM    503  CG  GLU A  59       4.742   6.019   9.851  1.00 10.00           C  
ATOM    504  CD  GLU A  59       3.788   6.757  10.789  1.00 10.00           C  
ATOM    505  OE1 GLU A  59       2.566   6.513  10.692  1.00 10.00           O  
ATOM    506  OE2 GLU A  59       4.307   7.564  11.589  1.00 10.00           O  
ATOM    507  H   GLU A  59       5.979   5.637   7.317  1.00 10.00           H  
ATOM    508  HA  GLU A  59       5.245   3.432   9.054  1.00 10.00           H  
ATOM    509  HB2 GLU A  59       3.694   5.817   7.995  1.00 10.00           H  
ATOM    510  HB3 GLU A  59       3.144   4.684   9.245  1.00 10.00           H  
ATOM    511  HG2 GLU A  59       5.379   5.385  10.466  1.00 10.00           H  
ATOM    512  HG3 GLU A  59       5.367   6.760   9.353  1.00 10.00           H  
ATOM    513  N   ILE A  60       3.970   3.714   6.010  1.00 10.00           N  
ATOM    514  CA  ILE A  60       3.285   2.986   4.952  1.00 10.00           C  
ATOM    515  C   ILE A  60       4.058   1.705   4.644  1.00 10.00           C  
ATOM    516  O   ILE A  60       3.471   0.633   4.504  1.00 10.00           O  
ATOM    517  CB  ILE A  60       3.091   3.868   3.709  1.00 10.00           C  
ATOM    518  CG1 ILE A  60       2.171   5.024   4.117  1.00 10.00           C  
ATOM    519  CG2 ILE A  60       2.469   3.070   2.554  1.00 10.00           C  
ATOM    520  CD1 ILE A  60       1.818   5.945   2.952  1.00 10.00           C  
ATOM    521  H   ILE A  60       4.368   4.629   5.820  1.00 10.00           H  
ATOM    522  HA  ILE A  60       2.293   2.738   5.324  1.00 10.00           H  
ATOM    523  HB  ILE A  60       4.054   4.262   3.383  1.00 10.00           H  
ATOM    524 HG12 ILE A  60       1.257   4.636   4.559  1.00 10.00           H  
ATOM    525 HG13 ILE A  60       2.671   5.599   4.887  1.00 10.00           H  
ATOM    526 HG21 ILE A  60       3.106   2.232   2.287  1.00 10.00           H  
ATOM    527 HG22 ILE A  60       1.488   2.696   2.841  1.00 10.00           H  
ATOM    528 HG23 ILE A  60       2.370   3.694   1.667  1.00 10.00           H  
ATOM    529 HD11 ILE A  60       1.321   6.827   3.348  1.00 10.00           H  
ATOM    530 HD12 ILE A  60       2.719   6.249   2.419  1.00 10.00           H  
ATOM    531 HD13 ILE A  60       1.135   5.434   2.273  1.00 10.00           H  
ATOM    532  N   LEU A  61       5.382   1.826   4.539  1.00 10.00           N  
ATOM    533  CA  LEU A  61       6.283   0.723   4.290  1.00 10.00           C  
ATOM    534  C   LEU A  61       6.119  -0.302   5.404  1.00 10.00           C  
ATOM    535  O   LEU A  61       5.907  -1.477   5.116  1.00 10.00           O  
ATOM    536  CB  LEU A  61       7.722   1.250   4.158  1.00 10.00           C  
ATOM    537  CG  LEU A  61       8.792   0.157   4.029  1.00 10.00           C  
ATOM    538  CD1 LEU A  61       8.628  -0.689   2.762  1.00 10.00           C  
ATOM    539  CD2 LEU A  61      10.173   0.821   4.011  1.00 10.00           C  
ATOM    540  H   LEU A  61       5.804   2.727   4.725  1.00 10.00           H  
ATOM    541  HA  LEU A  61       5.977   0.270   3.351  1.00 10.00           H  
ATOM    542  HB2 LEU A  61       7.784   1.905   3.290  1.00 10.00           H  
ATOM    543  HB3 LEU A  61       7.959   1.839   5.043  1.00 10.00           H  
ATOM    544  HG  LEU A  61       8.737  -0.493   4.901  1.00 10.00           H  
ATOM    545 HD11 LEU A  61       7.590  -0.970   2.606  1.00 10.00           H  
ATOM    546 HD12 LEU A  61       8.974  -0.128   1.899  1.00 10.00           H  
ATOM    547 HD13 LEU A  61       9.223  -1.597   2.849  1.00 10.00           H  
ATOM    548 HD21 LEU A  61      10.239   1.530   3.184  1.00 10.00           H  
ATOM    549 HD22 LEU A  61      10.340   1.355   4.946  1.00 10.00           H  
ATOM    550 HD23 LEU A  61      10.948   0.064   3.892  1.00 10.00           H  
ATOM    551  N   ASP A  62       6.174   0.141   6.663  1.00 10.00           N  
ATOM    552  CA  ASP A  62       5.959  -0.731   7.808  1.00 10.00           C  
ATOM    553  C   ASP A  62       4.657  -1.522   7.641  1.00 10.00           C  
ATOM    554  O   ASP A  62       4.674  -2.751   7.653  1.00 10.00           O  
ATOM    555  CB  ASP A  62       5.987   0.075   9.111  1.00 10.00           C  
ATOM    556  CG  ASP A  62       6.100  -0.861  10.301  1.00 10.00           C  
ATOM    557  OD1 ASP A  62       5.124  -1.605  10.545  1.00 10.00           O  
ATOM    558  OD2 ASP A  62       7.189  -0.892  10.908  1.00 10.00           O  
ATOM    559  H   ASP A  62       6.373   1.121   6.842  1.00 10.00           H  
ATOM    560  HA  ASP A  62       6.789  -1.439   7.837  1.00 10.00           H  
ATOM    561  HB2 ASP A  62       6.852   0.738   9.115  1.00 10.00           H  
ATOM    562  HB3 ASP A  62       5.083   0.674   9.218  1.00 10.00           H  
ATOM    563  N   ILE A  63       3.537  -0.836   7.383  1.00 10.00           N  
ATOM    564  CA  ILE A  63       2.264  -1.512   7.158  1.00 10.00           C  
ATOM    565  C   ILE A  63       2.383  -2.512   6.003  1.00 10.00           C  
ATOM    566  O   ILE A  63       2.006  -3.666   6.164  1.00 10.00           O  
ATOM    567  CB  ILE A  63       1.125  -0.487   6.968  1.00 10.00           C  
ATOM    568  CG1 ILE A  63       0.901   0.330   8.249  1.00 10.00           C  
ATOM    569  CG2 ILE A  63      -0.184  -1.187   6.571  1.00 10.00           C  
ATOM    570  CD1 ILE A  63       0.117   1.627   8.004  1.00 10.00           C  
ATOM    571  H   ILE A  63       3.572   0.182   7.347  1.00 10.00           H  
ATOM    572  HA  ILE A  63       2.042  -2.127   8.035  1.00 10.00           H  
ATOM    573  HB  ILE A  63       1.406   0.212   6.189  1.00 10.00           H  
ATOM    574 HG12 ILE A  63       0.377  -0.288   8.977  1.00 10.00           H  
ATOM    575 HG13 ILE A  63       1.863   0.615   8.667  1.00 10.00           H  
ATOM    576 HG21 ILE A  63      -1.016  -0.488   6.598  1.00 10.00           H  
ATOM    577 HG22 ILE A  63      -0.109  -1.591   5.561  1.00 10.00           H  
ATOM    578 HG23 ILE A  63      -0.396  -1.997   7.267  1.00 10.00           H  
ATOM    579 HD11 ILE A  63       0.800   2.478   8.029  1.00 10.00           H  
ATOM    580 HD12 ILE A  63      -0.378   1.615   7.036  1.00 10.00           H  
ATOM    581 HD13 ILE A  63      -0.632   1.756   8.787  1.00 10.00           H  
ATOM    582  N   ILE A  64       2.931  -2.131   4.846  1.00 10.00           N  
ATOM    583  CA  ILE A  64       3.122  -3.084   3.751  1.00 10.00           C  
ATOM    584  C   ILE A  64       3.895  -4.325   4.237  1.00 10.00           C  
ATOM    585  O   ILE A  64       3.502  -5.459   3.955  1.00 10.00           O  
ATOM    586  CB  ILE A  64       3.774  -2.396   2.534  1.00 10.00           C  
ATOM    587  CG1 ILE A  64       2.818  -1.355   1.926  1.00 10.00           C  
ATOM    588  CG2 ILE A  64       4.152  -3.429   1.460  1.00 10.00           C  
ATOM    589  CD1 ILE A  64       3.579  -0.306   1.107  1.00 10.00           C  
ATOM    590  H   ILE A  64       3.272  -1.179   4.752  1.00 10.00           H  
ATOM    591  HA  ILE A  64       2.139  -3.431   3.435  1.00 10.00           H  
ATOM    592  HB  ILE A  64       4.679  -1.885   2.853  1.00 10.00           H  
ATOM    593 HG12 ILE A  64       2.082  -1.858   1.300  1.00 10.00           H  
ATOM    594 HG13 ILE A  64       2.283  -0.825   2.713  1.00 10.00           H  
ATOM    595 HG21 ILE A  64       3.293  -4.060   1.235  1.00 10.00           H  
ATOM    596 HG22 ILE A  64       4.471  -2.931   0.546  1.00 10.00           H  
ATOM    597 HG23 ILE A  64       4.973  -4.057   1.809  1.00 10.00           H  
ATOM    598 HD11 ILE A  64       4.082  -0.755   0.252  1.00 10.00           H  
ATOM    599 HD12 ILE A  64       2.885   0.453   0.750  1.00 10.00           H  
ATOM    600 HD13 ILE A  64       4.319   0.180   1.740  1.00 10.00           H  
ATOM    601  N   LEU A  65       4.979  -4.121   4.987  1.00 10.00           N  
ATOM    602  CA  LEU A  65       5.818  -5.198   5.494  1.00 10.00           C  
ATOM    603  C   LEU A  65       5.137  -6.030   6.589  1.00 10.00           C  
ATOM    604  O   LEU A  65       5.388  -7.232   6.659  1.00 10.00           O  
ATOM    605  CB  LEU A  65       7.149  -4.638   6.018  1.00 10.00           C  
ATOM    606  CG  LEU A  65       8.066  -4.011   4.950  1.00 10.00           C  
ATOM    607  CD1 LEU A  65       9.345  -3.488   5.620  1.00 10.00           C  
ATOM    608  CD2 LEU A  65       8.453  -4.986   3.830  1.00 10.00           C  
ATOM    609  H   LEU A  65       5.233  -3.166   5.224  1.00 10.00           H  
ATOM    610  HA  LEU A  65       6.033  -5.883   4.676  1.00 10.00           H  
ATOM    611  HB2 LEU A  65       6.925  -3.885   6.775  1.00 10.00           H  
ATOM    612  HB3 LEU A  65       7.684  -5.450   6.510  1.00 10.00           H  
ATOM    613  HG  LEU A  65       7.555  -3.166   4.493  1.00 10.00           H  
ATOM    614 HD11 LEU A  65       9.143  -3.172   6.643  1.00 10.00           H  
ATOM    615 HD12 LEU A  65      10.111  -4.264   5.637  1.00 10.00           H  
ATOM    616 HD13 LEU A  65       9.729  -2.634   5.063  1.00 10.00           H  
ATOM    617 HD21 LEU A  65       9.194  -4.516   3.182  1.00 10.00           H  
ATOM    618 HD22 LEU A  65       8.878  -5.896   4.256  1.00 10.00           H  
ATOM    619 HD23 LEU A  65       7.585  -5.240   3.223  1.00 10.00           H  
ATOM    620  N   ASN A  66       4.297  -5.433   7.444  1.00 10.00           N  
ATOM    621  CA  ASN A  66       3.881  -6.035   8.724  1.00 10.00           C  
ATOM    622  C   ASN A  66       2.360  -6.185   8.777  1.00 10.00           C  
ATOM    623  O   ASN A  66       1.756  -6.333   9.837  1.00 10.00           O  
ATOM    624  CB  ASN A  66       4.390  -5.176   9.890  1.00 10.00           C  
ATOM    625  CG  ASN A  66       5.914  -5.095   9.931  1.00 10.00           C  
ATOM    626  OD1 ASN A  66       6.607  -6.072   9.660  1.00 10.00           O  
ATOM    627  ND2 ASN A  66       6.454  -3.936  10.278  1.00 10.00           N  
ATOM    628  H   ASN A  66       3.904  -4.518   7.204  1.00 10.00           H  
ATOM    629  HA  ASN A  66       4.299  -7.036   8.839  1.00 10.00           H  
ATOM    630  HB2 ASN A  66       3.964  -4.175   9.810  1.00 10.00           H  
ATOM    631  HB3 ASN A  66       4.061  -5.614  10.833  1.00 10.00           H  
ATOM    632 HD21 ASN A  66       5.851  -3.123  10.460  1.00 10.00           H  
ATOM    633 HD22 ASN A  66       7.452  -3.812  10.312  1.00 10.00           H  
ATOM    634  N   GLY A  67       1.782  -6.167   7.580  1.00 10.00           N  
ATOM    635  CA  GLY A  67       0.382  -5.921   7.225  1.00 10.00           C  
ATOM    636  C   GLY A  67      -0.322  -5.043   8.273  1.00 10.00           C  
ATOM    637  O   GLY A  67       0.297  -4.104   8.768  1.00 10.00           O  
ATOM    638  H   GLY A  67       2.490  -6.190   6.860  1.00 10.00           H  
ATOM    639  HA2 GLY A  67       0.370  -5.345   6.306  1.00 10.00           H  
ATOM    640  HA3 GLY A  67      -0.117  -6.843   6.932  1.00 10.00           H  
ATOM    641  N   GLN A  68      -1.597  -5.309   8.596  1.00 10.00           N  
ATOM    642  CA  GLN A  68      -2.391  -4.586   9.601  1.00 10.00           C  
ATOM    643  C   GLN A  68      -3.828  -5.122   9.584  1.00 10.00           C  
ATOM    644  O   GLN A  68      -4.432  -5.191   8.520  1.00 10.00           O  
ATOM    645  CB  GLN A  68      -2.381  -3.055   9.368  1.00 10.00           C  
ATOM    646  CG  GLN A  68      -3.250  -2.288  10.378  1.00 10.00           C  
ATOM    647  CD  GLN A  68      -2.960  -0.788  10.336  1.00 10.00           C  
ATOM    648  OE1 GLN A  68      -1.930  -0.346  10.834  1.00 10.00           O  
ATOM    649  NE2 GLN A  68      -3.845   0.019   9.757  1.00 10.00           N  
ATOM    650  H   GLN A  68      -2.038  -6.116   8.159  1.00 10.00           H  
ATOM    651  HA  GLN A  68      -1.946  -4.787  10.577  1.00 10.00           H  
ATOM    652  HB2 GLN A  68      -1.375  -2.669   9.513  1.00 10.00           H  
ATOM    653  HB3 GLN A  68      -2.693  -2.814   8.350  1.00 10.00           H  
ATOM    654  HG2 GLN A  68      -4.310  -2.467  10.201  1.00 10.00           H  
ATOM    655  HG3 GLN A  68      -3.008  -2.637  11.382  1.00 10.00           H  
ATOM    656 HE21 GLN A  68      -4.719  -0.305   9.361  1.00 10.00           H  
ATOM    657 HE22 GLN A  68      -3.668   1.012   9.754  1.00 10.00           H  
ATOM    658  N   GLY A  69      -4.395  -5.477  10.742  1.00 10.00           N  
ATOM    659  CA  GLY A  69      -5.768  -5.965  10.857  1.00 10.00           C  
ATOM    660  C   GLY A  69      -6.105  -7.032   9.809  1.00 10.00           C  
ATOM    661  O   GLY A  69      -5.529  -8.117   9.852  1.00 10.00           O  
ATOM    662  H   GLY A  69      -3.870  -5.382  11.596  1.00 10.00           H  
ATOM    663  HA2 GLY A  69      -5.879  -6.419  11.842  1.00 10.00           H  
ATOM    664  HA3 GLY A  69      -6.457  -5.127  10.801  1.00 10.00           H  
ATOM    665  N   GLY A  70      -7.016  -6.755   8.864  1.00 10.00           N  
ATOM    666  CA  GLY A  70      -7.366  -7.735   7.842  1.00 10.00           C  
ATOM    667  C   GLY A  70      -6.220  -7.970   6.852  1.00 10.00           C  
ATOM    668  O   GLY A  70      -6.141  -9.018   6.215  1.00 10.00           O  
ATOM    669  H   GLY A  70      -7.481  -5.841   8.832  1.00 10.00           H  
ATOM    670  HA2 GLY A  70      -7.631  -8.682   8.316  1.00 10.00           H  
ATOM    671  HA3 GLY A  70      -8.235  -7.372   7.294  1.00 10.00           H  
ATOM    672  N   MET A  71      -5.353  -6.971   6.683  1.00 10.00           N  
ATOM    673  CA  MET A  71      -4.249  -6.984   5.740  1.00 10.00           C  
ATOM    674  C   MET A  71      -3.104  -7.901   6.202  1.00 10.00           C  
ATOM    675  O   MET A  71      -2.534  -7.651   7.264  1.00 10.00           O  
ATOM    676  CB  MET A  71      -3.731  -5.554   5.619  1.00 10.00           C  
ATOM    677  CG  MET A  71      -2.759  -5.400   4.465  1.00 10.00           C  
ATOM    678  SD  MET A  71      -2.266  -3.681   4.215  1.00 10.00           S  
ATOM    679  CE  MET A  71      -0.697  -4.072   3.405  1.00 10.00           C  
ATOM    680  H   MET A  71      -5.450  -6.150   7.272  1.00 10.00           H  
ATOM    681  HA  MET A  71      -4.660  -7.276   4.776  1.00 10.00           H  
ATOM    682  HB2 MET A  71      -4.565  -4.873   5.526  1.00 10.00           H  
ATOM    683  HB3 MET A  71      -3.186  -5.268   6.513  1.00 10.00           H  
ATOM    684  HG2 MET A  71      -1.864  -5.962   4.732  1.00 10.00           H  
ATOM    685  HG3 MET A  71      -3.152  -5.830   3.548  1.00 10.00           H  
ATOM    686  HE1 MET A  71      -0.890  -4.741   2.565  1.00 10.00           H  
ATOM    687  HE2 MET A  71      -0.220  -3.156   3.060  1.00 10.00           H  
ATOM    688  HE3 MET A  71      -0.042  -4.581   4.111  1.00 10.00           H  
ATOM    689  N   PRO A  72      -2.695  -8.892   5.393  1.00 10.00           N  
ATOM    690  CA  PRO A  72      -1.535  -9.722   5.666  1.00 10.00           C  
ATOM    691  C   PRO A  72      -0.253  -8.984   5.276  1.00 10.00           C  
ATOM    692  O   PRO A  72      -0.234  -8.213   4.319  1.00 10.00           O  
ATOM    693  CB  PRO A  72      -1.718 -10.972   4.808  1.00 10.00           C  
ATOM    694  CG  PRO A  72      -2.536 -10.483   3.611  1.00 10.00           C  
ATOM    695  CD  PRO A  72      -3.297  -9.256   4.126  1.00 10.00           C  
ATOM    696  HA  PRO A  72      -1.504 -10.003   6.720  1.00 10.00           H  
ATOM    697  HB2 PRO A  72      -0.761 -11.397   4.493  1.00 10.00           H  
ATOM    698  HB3 PRO A  72      -2.286 -11.704   5.380  1.00 10.00           H  
ATOM    699  HG2 PRO A  72      -1.846 -10.186   2.823  1.00 10.00           H  
ATOM    700  HG3 PRO A  72      -3.211 -11.254   3.238  1.00 10.00           H  
ATOM    701  HD2 PRO A  72      -3.215  -8.435   3.415  1.00 10.00           H  
ATOM    702  HD3 PRO A  72      -4.343  -9.493   4.286  1.00 10.00           H  
ATOM    703  N   GLY A  73       0.824  -9.208   6.027  1.00 10.00           N  
ATOM    704  CA  GLY A  73       2.078  -8.502   5.836  1.00 10.00           C  
ATOM    705  C   GLY A  73       3.002  -9.100   4.789  1.00 10.00           C  
ATOM    706  O   GLY A  73       2.981 -10.298   4.514  1.00 10.00           O  
ATOM    707  H   GLY A  73       0.726  -9.780   6.852  1.00 10.00           H  
ATOM    708  HA2 GLY A  73       1.855  -7.493   5.498  1.00 10.00           H  
ATOM    709  HA3 GLY A  73       2.617  -8.481   6.783  1.00 10.00           H  
ATOM    710  N   GLY A  74       3.836  -8.228   4.217  1.00 10.00           N  
ATOM    711  CA  GLY A  74       4.851  -8.592   3.242  1.00 10.00           C  
ATOM    712  C   GLY A  74       4.226  -8.956   1.903  1.00 10.00           C  
ATOM    713  O   GLY A  74       4.764  -9.781   1.168  1.00 10.00           O  
ATOM    714  H   GLY A  74       3.727  -7.238   4.448  1.00 10.00           H  
ATOM    715  HA2 GLY A  74       5.519  -7.743   3.099  1.00 10.00           H  
ATOM    716  HA3 GLY A  74       5.430  -9.437   3.602  1.00 10.00           H  
ATOM    717  N   ILE A  75       3.088  -8.327   1.602  1.00 10.00           N  
ATOM    718  CA  ILE A  75       2.356  -8.463   0.355  1.00 10.00           C  
ATOM    719  C   ILE A  75       3.305  -8.163  -0.828  1.00 10.00           C  
ATOM    720  O   ILE A  75       3.572  -9.032  -1.660  1.00 10.00           O  
ATOM    721  CB  ILE A  75       1.067  -7.609   0.496  1.00 10.00           C  
ATOM    722  CG1 ILE A  75      -0.079  -8.548   0.910  1.00 10.00           C  
ATOM    723  CG2 ILE A  75       0.668  -6.866  -0.796  1.00 10.00           C  
ATOM    724  CD1 ILE A  75      -1.329  -7.773   1.328  1.00 10.00           C  
ATOM    725  H   ILE A  75       2.717  -7.699   2.300  1.00 10.00           H  
ATOM    726  HA  ILE A  75       2.073  -9.512   0.252  1.00 10.00           H  
ATOM    727  HB  ILE A  75       1.155  -6.907   1.348  1.00 10.00           H  
ATOM    728 HG12 ILE A  75      -0.330  -9.209   0.079  1.00 10.00           H  
ATOM    729 HG13 ILE A  75       0.237  -9.161   1.756  1.00 10.00           H  
ATOM    730 HG21 ILE A  75      -0.042  -6.086  -0.550  1.00 10.00           H  
ATOM    731 HG22 ILE A  75       1.494  -6.361  -1.286  1.00 10.00           H  
ATOM    732 HG23 ILE A  75       0.217  -7.553  -1.513  1.00 10.00           H  
ATOM    733 HD11 ILE A  75      -2.176  -8.453   1.398  1.00 10.00           H  
ATOM    734 HD12 ILE A  75      -1.566  -7.019   0.595  1.00 10.00           H  
ATOM    735 HD13 ILE A  75      -1.173  -7.271   2.280  1.00 10.00           H  
ATOM    736  N   ALA A  76       3.850  -6.945  -0.895  1.00 10.00           N  
ATOM    737  CA  ALA A  76       5.105  -6.648  -1.575  1.00 10.00           C  
ATOM    738  C   ALA A  76       6.286  -6.749  -0.595  1.00 10.00           C  
ATOM    739  O   ALA A  76       6.073  -6.725   0.618  1.00 10.00           O  
ATOM    740  CB  ALA A  76       5.018  -5.243  -2.180  1.00 10.00           C  
ATOM    741  H   ALA A  76       3.393  -6.190  -0.415  1.00 10.00           H  
ATOM    742  HA  ALA A  76       5.238  -7.376  -2.369  1.00 10.00           H  
ATOM    743  HB1 ALA A  76       5.744  -5.137  -2.982  1.00 10.00           H  
ATOM    744  HB2 ALA A  76       4.025  -5.069  -2.589  1.00 10.00           H  
ATOM    745  HB3 ALA A  76       5.228  -4.496  -1.414  1.00 10.00           H  
ATOM    746  N   LYS A  77       7.528  -6.822  -1.096  1.00 10.00           N  
ATOM    747  CA  LYS A  77       8.737  -6.759  -0.261  1.00 10.00           C  
ATOM    748  C   LYS A  77       9.891  -6.034  -0.968  1.00 10.00           C  
ATOM    749  O   LYS A  77       9.884  -5.870  -2.183  1.00 10.00           O  
ATOM    750  CB  LYS A  77       9.191  -8.165   0.172  1.00 10.00           C  
ATOM    751  CG  LYS A  77       8.365  -8.739   1.334  1.00 10.00           C  
ATOM    752  CD  LYS A  77       9.174  -9.836   2.044  1.00 10.00           C  
ATOM    753  CE  LYS A  77       8.403 -10.414   3.240  1.00 10.00           C  
ATOM    754  NZ  LYS A  77       9.256 -11.281   4.082  1.00 10.00           N  
ATOM    755  H   LYS A  77       7.641  -6.843  -2.107  1.00 10.00           H  
ATOM    756  HA  LYS A  77       8.525  -6.172   0.634  1.00 10.00           H  
ATOM    757  HB2 LYS A  77       9.165  -8.847  -0.679  1.00 10.00           H  
ATOM    758  HB3 LYS A  77      10.226  -8.093   0.509  1.00 10.00           H  
ATOM    759  HG2 LYS A  77       8.145  -7.944   2.048  1.00 10.00           H  
ATOM    760  HG3 LYS A  77       7.422  -9.134   0.951  1.00 10.00           H  
ATOM    761  HD2 LYS A  77       9.403 -10.627   1.325  1.00 10.00           H  
ATOM    762  HD3 LYS A  77      10.111  -9.397   2.393  1.00 10.00           H  
ATOM    763  HE2 LYS A  77       8.028  -9.596   3.859  1.00 10.00           H  
ATOM    764  HE3 LYS A  77       7.550 -10.988   2.871  1.00 10.00           H  
ATOM    765  HZ1 LYS A  77      10.014 -10.743   4.480  1.00 10.00           H  
ATOM    766  HZ2 LYS A  77       8.707 -11.669   4.838  1.00 10.00           H  
ATOM    767  HZ3 LYS A  77       9.640 -12.039   3.535  1.00 10.00           H  
ATOM    768  N   GLY A  78      10.901  -5.612  -0.199  1.00 10.00           N  
ATOM    769  CA  GLY A  78      12.097  -4.962  -0.723  1.00 10.00           C  
ATOM    770  C   GLY A  78      11.747  -3.721  -1.544  1.00 10.00           C  
ATOM    771  O   GLY A  78      10.762  -3.039  -1.252  1.00 10.00           O  
ATOM    772  H   GLY A  78      10.848  -5.746   0.797  1.00 10.00           H  
ATOM    773  HA2 GLY A  78      12.744  -4.668   0.103  1.00 10.00           H  
ATOM    774  HA3 GLY A  78      12.632  -5.679  -1.348  1.00 10.00           H  
ATOM    775  N   ALA A  79      12.510  -3.485  -2.618  1.00 10.00           N  
ATOM    776  CA  ALA A  79      12.329  -2.341  -3.503  1.00 10.00           C  
ATOM    777  C   ALA A  79      10.886  -2.224  -3.995  1.00 10.00           C  
ATOM    778  O   ALA A  79      10.403  -1.120  -4.229  1.00 10.00           O  
ATOM    779  CB  ALA A  79      13.296  -2.435  -4.686  1.00 10.00           C  
ATOM    780  H   ALA A  79      13.318  -4.068  -2.767  1.00 10.00           H  
ATOM    781  HA  ALA A  79      12.584  -1.440  -2.945  1.00 10.00           H  
ATOM    782  HB1 ALA A  79      14.320  -2.517  -4.320  1.00 10.00           H  
ATOM    783  HB2 ALA A  79      13.058  -3.302  -5.302  1.00 10.00           H  
ATOM    784  HB3 ALA A  79      13.211  -1.531  -5.291  1.00 10.00           H  
ATOM    785  N   GLU A  80      10.205  -3.365  -4.149  1.00 10.00           N  
ATOM    786  CA  GLU A  80       8.789  -3.433  -4.466  1.00 10.00           C  
ATOM    787  C   GLU A  80       8.013  -2.596  -3.435  1.00 10.00           C  
ATOM    788  O   GLU A  80       7.381  -1.594  -3.766  1.00 10.00           O  
ATOM    789  CB  GLU A  80       8.378  -4.922  -4.470  1.00 10.00           C  
ATOM    790  CG  GLU A  80       7.300  -5.279  -5.485  1.00 10.00           C  
ATOM    791  CD  GLU A  80       6.792  -6.705  -5.340  1.00 10.00           C  
ATOM    792  OE1 GLU A  80       6.697  -7.220  -4.207  1.00 10.00           O  
ATOM    793  OE2 GLU A  80       6.346  -7.292  -6.343  1.00 10.00           O  
ATOM    794  H   GLU A  80      10.658  -4.226  -3.880  1.00 10.00           H  
ATOM    795  HA  GLU A  80       8.639  -3.009  -5.458  1.00 10.00           H  
ATOM    796  HB2 GLU A  80       9.229  -5.553  -4.719  1.00 10.00           H  
ATOM    797  HB3 GLU A  80       8.009  -5.204  -3.488  1.00 10.00           H  
ATOM    798  HG2 GLU A  80       6.459  -4.621  -5.324  1.00 10.00           H  
ATOM    799  HG3 GLU A  80       7.687  -5.150  -6.494  1.00 10.00           H  
ATOM    800  N   ALA A  81       8.110  -2.989  -2.163  1.00 10.00           N  
ATOM    801  CA  ALA A  81       7.438  -2.327  -1.054  1.00 10.00           C  
ATOM    802  C   ALA A  81       7.885  -0.869  -0.927  1.00 10.00           C  
ATOM    803  O   ALA A  81       7.045   0.025  -0.827  1.00 10.00           O  
ATOM    804  CB  ALA A  81       7.688  -3.102   0.244  1.00 10.00           C  
ATOM    805  H   ALA A  81       8.789  -3.711  -1.962  1.00 10.00           H  
ATOM    806  HA  ALA A  81       6.365  -2.334  -1.248  1.00 10.00           H  
ATOM    807  HB1 ALA A  81       7.150  -2.625   1.061  1.00 10.00           H  
ATOM    808  HB2 ALA A  81       7.323  -4.122   0.140  1.00 10.00           H  
ATOM    809  HB3 ALA A  81       8.752  -3.123   0.482  1.00 10.00           H  
ATOM    810  N   GLU A  82       9.200  -0.635  -0.932  1.00 10.00           N  
ATOM    811  CA  GLU A  82       9.783   0.696  -0.798  1.00 10.00           C  
ATOM    812  C   GLU A  82       9.230   1.646  -1.862  1.00 10.00           C  
ATOM    813  O   GLU A  82       8.752   2.735  -1.542  1.00 10.00           O  
ATOM    814  CB  GLU A  82      11.310   0.585  -0.871  1.00 10.00           C  
ATOM    815  CG  GLU A  82      11.881  -0.209   0.313  1.00 10.00           C  
ATOM    816  CD  GLU A  82      13.363  -0.504   0.120  1.00 10.00           C  
ATOM    817  OE1 GLU A  82      13.653  -1.514  -0.558  1.00 10.00           O  
ATOM    818  OE2 GLU A  82      14.174   0.289   0.642  1.00 10.00           O  
ATOM    819  H   GLU A  82       9.831  -1.427  -1.017  1.00 10.00           H  
ATOM    820  HA  GLU A  82       9.521   1.115   0.173  1.00 10.00           H  
ATOM    821  HB2 GLU A  82      11.589   0.101  -1.803  1.00 10.00           H  
ATOM    822  HB3 GLU A  82      11.759   1.578  -0.866  1.00 10.00           H  
ATOM    823  HG2 GLU A  82      11.754   0.369   1.229  1.00 10.00           H  
ATOM    824  HG3 GLU A  82      11.370  -1.161   0.436  1.00 10.00           H  
ATOM    825  N   ALA A  83       9.278   1.230  -3.131  1.00 10.00           N  
ATOM    826  CA  ALA A  83       8.777   2.032  -4.234  1.00 10.00           C  
ATOM    827  C   ALA A  83       7.307   2.376  -4.005  1.00 10.00           C  
ATOM    828  O   ALA A  83       6.927   3.544  -4.088  1.00 10.00           O  
ATOM    829  CB  ALA A  83       8.985   1.294  -5.559  1.00 10.00           C  
ATOM    830  H   ALA A  83       9.648   0.308  -3.340  1.00 10.00           H  
ATOM    831  HA  ALA A  83       9.347   2.961  -4.270  1.00 10.00           H  
ATOM    832  HB1 ALA A  83       8.439   0.350  -5.561  1.00 10.00           H  
ATOM    833  HB2 ALA A  83       8.629   1.915  -6.380  1.00 10.00           H  
ATOM    834  HB3 ALA A  83      10.047   1.098  -5.706  1.00 10.00           H  
ATOM    835  N   VAL A  84       6.481   1.369  -3.702  1.00 10.00           N  
ATOM    836  CA  VAL A  84       5.068   1.596  -3.434  1.00 10.00           C  
ATOM    837  C   VAL A  84       4.876   2.615  -2.313  1.00 10.00           C  
ATOM    838  O   VAL A  84       4.183   3.609  -2.500  1.00 10.00           O  
ATOM    839  CB  VAL A  84       4.348   0.275  -3.145  1.00 10.00           C  
ATOM    840  CG1 VAL A  84       2.905   0.546  -2.705  1.00 10.00           C  
ATOM    841  CG2 VAL A  84       4.319  -0.568  -4.421  1.00 10.00           C  
ATOM    842  H   VAL A  84       6.852   0.424  -3.627  1.00 10.00           H  
ATOM    843  HA  VAL A  84       4.619   2.031  -4.325  1.00 10.00           H  
ATOM    844  HB  VAL A  84       4.857  -0.281  -2.357  1.00 10.00           H  
ATOM    845 HG11 VAL A  84       2.890   0.961  -1.697  1.00 10.00           H  
ATOM    846 HG12 VAL A  84       2.434   1.255  -3.384  1.00 10.00           H  
ATOM    847 HG13 VAL A  84       2.342  -0.385  -2.712  1.00 10.00           H  
ATOM    848 HG21 VAL A  84       5.312  -0.905  -4.694  1.00 10.00           H  
ATOM    849 HG22 VAL A  84       3.679  -1.433  -4.263  1.00 10.00           H  
ATOM    850 HG23 VAL A  84       3.937   0.029  -5.244  1.00 10.00           H  
ATOM    851  N   ALA A  85       5.470   2.361  -1.149  1.00 10.00           N  
ATOM    852  CA  ALA A  85       5.419   3.258  -0.005  1.00 10.00           C  
ATOM    853  C   ALA A  85       5.768   4.695  -0.399  1.00 10.00           C  
ATOM    854  O   ALA A  85       5.000   5.612  -0.117  1.00 10.00           O  
ATOM    855  CB  ALA A  85       6.350   2.750   1.095  1.00 10.00           C  
ATOM    856  H   ALA A  85       5.966   1.484  -1.063  1.00 10.00           H  
ATOM    857  HA  ALA A  85       4.400   3.249   0.381  1.00 10.00           H  
ATOM    858  HB1 ALA A  85       7.385   2.750   0.754  1.00 10.00           H  
ATOM    859  HB2 ALA A  85       6.261   3.402   1.963  1.00 10.00           H  
ATOM    860  HB3 ALA A  85       6.069   1.737   1.379  1.00 10.00           H  
ATOM    861  N   ALA A  86       6.912   4.894  -1.057  1.00 10.00           N  
ATOM    862  CA  ALA A  86       7.369   6.216  -1.476  1.00 10.00           C  
ATOM    863  C   ALA A  86       6.347   6.881  -2.404  1.00 10.00           C  
ATOM    864  O   ALA A  86       5.929   8.018  -2.188  1.00 10.00           O  
ATOM    865  CB  ALA A  86       8.737   6.092  -2.154  1.00 10.00           C  
ATOM    866  H   ALA A  86       7.483   4.085  -1.284  1.00 10.00           H  
ATOM    867  HA  ALA A  86       7.493   6.843  -0.593  1.00 10.00           H  
ATOM    868  HB1 ALA A  86       9.058   7.072  -2.509  1.00 10.00           H  
ATOM    869  HB2 ALA A  86       9.468   5.717  -1.437  1.00 10.00           H  
ATOM    870  HB3 ALA A  86       8.682   5.406  -3.000  1.00 10.00           H  
ATOM    871  N   TRP A  87       5.930   6.153  -3.438  1.00 10.00           N  
ATOM    872  CA  TRP A  87       4.960   6.622  -4.414  1.00 10.00           C  
ATOM    873  C   TRP A  87       3.657   7.028  -3.712  1.00 10.00           C  
ATOM    874  O   TRP A  87       3.126   8.115  -3.929  1.00 10.00           O  
ATOM    875  CB  TRP A  87       4.784   5.493  -5.429  1.00 10.00           C  
ATOM    876  CG  TRP A  87       3.761   5.661  -6.502  1.00 10.00           C  
ATOM    877  CD1 TRP A  87       3.912   6.362  -7.645  1.00 10.00           C  
ATOM    878  CD2 TRP A  87       2.455   5.030  -6.591  1.00 10.00           C  
ATOM    879  NE1 TRP A  87       2.800   6.183  -8.444  1.00 10.00           N  
ATOM    880  CE2 TRP A  87       1.856   5.387  -7.833  1.00 10.00           C  
ATOM    881  CE3 TRP A  87       1.732   4.165  -5.752  1.00 10.00           C  
ATOM    882  CZ2 TRP A  87       0.592   4.916  -8.218  1.00 10.00           C  
ATOM    883  CZ3 TRP A  87       0.441   3.740  -6.099  1.00 10.00           C  
ATOM    884  CH2 TRP A  87      -0.128   4.105  -7.325  1.00 10.00           C  
ATOM    885  H   TRP A  87       6.275   5.201  -3.532  1.00 10.00           H  
ATOM    886  HA  TRP A  87       5.364   7.495  -4.929  1.00 10.00           H  
ATOM    887  HB2 TRP A  87       5.747   5.323  -5.913  1.00 10.00           H  
ATOM    888  HB3 TRP A  87       4.525   4.588  -4.882  1.00 10.00           H  
ATOM    889  HD1 TRP A  87       4.798   6.920  -7.896  1.00 10.00           H  
ATOM    890  HE1 TRP A  87       2.732   6.500  -9.419  1.00 10.00           H  
ATOM    891  HE3 TRP A  87       2.169   3.845  -4.818  1.00 10.00           H  
ATOM    892  HZ2 TRP A  87       0.178   5.190  -9.178  1.00 10.00           H  
ATOM    893  HZ3 TRP A  87      -0.121   3.124  -5.417  1.00 10.00           H  
ATOM    894  HH2 TRP A  87      -1.121   3.755  -7.544  1.00 10.00           H  
ATOM    895  N   LEU A  88       3.152   6.176  -2.822  1.00 10.00           N  
ATOM    896  CA  LEU A  88       2.001   6.508  -1.995  1.00 10.00           C  
ATOM    897  C   LEU A  88       2.256   7.696  -1.075  1.00 10.00           C  
ATOM    898  O   LEU A  88       1.333   8.471  -0.858  1.00 10.00           O  
ATOM    899  CB  LEU A  88       1.507   5.322  -1.171  1.00 10.00           C  
ATOM    900  CG  LEU A  88       0.828   4.223  -1.996  1.00 10.00           C  
ATOM    901  CD1 LEU A  88      -0.024   3.399  -1.050  1.00 10.00           C  
ATOM    902  CD2 LEU A  88      -0.189   4.711  -3.026  1.00 10.00           C  
ATOM    903  H   LEU A  88       3.622   5.288  -2.708  1.00 10.00           H  
ATOM    904  HA  LEU A  88       1.201   6.827  -2.657  1.00 10.00           H  
ATOM    905  HB2 LEU A  88       2.335   4.897  -0.602  1.00 10.00           H  
ATOM    906  HB3 LEU A  88       0.774   5.710  -0.461  1.00 10.00           H  
ATOM    907  HG  LEU A  88       1.575   3.592  -2.475  1.00 10.00           H  
ATOM    908 HD11 LEU A  88      -0.428   2.561  -1.616  1.00 10.00           H  
ATOM    909 HD12 LEU A  88       0.577   3.060  -0.211  1.00 10.00           H  
ATOM    910 HD13 LEU A  88      -0.836   4.042  -0.703  1.00 10.00           H  
ATOM    911 HD21 LEU A  88       0.308   5.226  -3.841  1.00 10.00           H  
ATOM    912 HD22 LEU A  88      -0.712   3.830  -3.403  1.00 10.00           H  
ATOM    913 HD23 LEU A  88      -0.911   5.381  -2.561  1.00 10.00           H  
ATOM    914  N   ALA A  89       3.468   7.868  -0.545  1.00 10.00           N  
ATOM    915  CA  ALA A  89       3.824   9.069   0.205  1.00 10.00           C  
ATOM    916  C   ALA A  89       3.516  10.314  -0.626  1.00 10.00           C  
ATOM    917  O   ALA A  89       2.984  11.298  -0.111  1.00 10.00           O  
ATOM    918  CB  ALA A  89       5.294   9.037   0.633  1.00 10.00           C  
ATOM    919  H   ALA A  89       4.180   7.161  -0.700  1.00 10.00           H  
ATOM    920  HA  ALA A  89       3.221   9.088   1.111  1.00 10.00           H  
ATOM    921  HB1 ALA A  89       5.371   9.262   1.698  1.00 10.00           H  
ATOM    922  HB2 ALA A  89       5.706   8.050   0.451  1.00 10.00           H  
ATOM    923  HB3 ALA A  89       5.881   9.769   0.077  1.00 10.00           H  
ATOM    924  N   GLU A  90       3.830  10.256  -1.924  1.00 10.00           N  
ATOM    925  CA  GLU A  90       3.432  11.289  -2.867  1.00 10.00           C  
ATOM    926  C   GLU A  90       1.906  11.377  -3.016  1.00 10.00           C  
ATOM    927  O   GLU A  90       1.389  12.488  -3.134  1.00 10.00           O  
ATOM    928  CB  GLU A  90       4.131  11.103  -4.226  1.00 10.00           C  
ATOM    929  CG  GLU A  90       5.235  12.150  -4.433  1.00 10.00           C  
ATOM    930  CD  GLU A  90       5.886  12.060  -5.810  1.00 10.00           C  
ATOM    931  OE1 GLU A  90       5.402  11.249  -6.630  1.00 10.00           O  
ATOM    932  OE2 GLU A  90       6.854  12.822  -6.019  1.00 10.00           O  
ATOM    933  H   GLU A  90       4.307   9.429  -2.271  1.00 10.00           H  
ATOM    934  HA  GLU A  90       3.756  12.245  -2.454  1.00 10.00           H  
ATOM    935  HB2 GLU A  90       4.577  10.112  -4.317  1.00 10.00           H  
ATOM    936  HB3 GLU A  90       3.403  11.216  -5.031  1.00 10.00           H  
ATOM    937  HG2 GLU A  90       4.811  13.150  -4.341  1.00 10.00           H  
ATOM    938  HG3 GLU A  90       6.010  12.019  -3.677  1.00 10.00           H  
ATOM    939  N   LYS A  91       1.169  10.256  -3.034  1.00 10.00           N  
ATOM    940  CA  LYS A  91      -0.265  10.312  -3.296  1.00 10.00           C  
ATOM    941  C   LYS A  91      -1.034  10.854  -2.082  1.00 10.00           C  
ATOM    942  O   LYS A  91      -0.857  10.392  -0.954  1.00 10.00           O  
ATOM    943  CB  LYS A  91      -0.782   8.944  -3.742  1.00 10.00           C  
ATOM    944  CG  LYS A  91      -0.206   8.534  -5.102  1.00 10.00           C  
ATOM    945  CD  LYS A  91      -0.995   7.368  -5.717  1.00 10.00           C  
ATOM    946  CE  LYS A  91      -2.215   7.783  -6.566  1.00 10.00           C  
ATOM    947  NZ  LYS A  91      -3.289   8.497  -5.823  1.00 10.00           N  
ATOM    948  H   LYS A  91       1.578   9.351  -2.804  1.00 10.00           H  
ATOM    949  HA  LYS A  91      -0.430  11.001  -4.127  1.00 10.00           H  
ATOM    950  HB2 LYS A  91      -0.563   8.193  -2.984  1.00 10.00           H  
ATOM    951  HB3 LYS A  91      -1.855   9.019  -3.827  1.00 10.00           H  
ATOM    952  HG2 LYS A  91      -0.187   9.378  -5.794  1.00 10.00           H  
ATOM    953  HG3 LYS A  91       0.828   8.219  -4.946  1.00 10.00           H  
ATOM    954  HD2 LYS A  91      -0.303   6.849  -6.384  1.00 10.00           H  
ATOM    955  HD3 LYS A  91      -1.289   6.662  -4.939  1.00 10.00           H  
ATOM    956  HE2 LYS A  91      -1.862   8.420  -7.380  1.00 10.00           H  
ATOM    957  HE3 LYS A  91      -2.631   6.881  -7.018  1.00 10.00           H  
ATOM    958  HZ1 LYS A  91      -2.963   9.380  -5.462  1.00 10.00           H  
ATOM    959  HZ2 LYS A  91      -4.083   8.693  -6.416  1.00 10.00           H  
ATOM    960  HZ3 LYS A  91      -3.711   8.003  -5.038  1.00 10.00           H  
ATOM    961  N   LYS A  92      -1.856  11.882  -2.312  1.00 10.00           N  
ATOM    962  CA  LYS A  92      -2.607  12.630  -1.321  1.00 10.00           C  
ATOM    963  C   LYS A  92      -3.857  13.129  -2.041  1.00 10.00           C  
ATOM    964  O   LYS A  92      -4.831  13.472  -1.336  1.00 10.00           O  
ATOM    965  CB  LYS A  92      -1.791  13.828  -0.818  1.00 10.00           C  
ATOM    966  CG  LYS A  92      -0.440  13.410  -0.228  1.00 10.00           C  
ATOM    967  CD  LYS A  92       0.399  14.633   0.146  1.00 10.00           C  
ATOM    968  CE  LYS A  92       1.859  14.190   0.316  1.00 10.00           C  
ATOM    969  NZ  LYS A  92       2.787  15.333   0.376  1.00 10.00           N  
ATOM    970  OXT LYS A  92      -3.782  13.175  -3.292  1.00 10.00           O  
ATOM    971  H   LYS A  92      -2.090  12.184  -3.253  1.00 10.00           H  
ATOM    972  HA  LYS A  92      -2.890  12.002  -0.482  1.00 10.00           H  
ATOM    973  HB2 LYS A  92      -1.623  14.502  -1.659  1.00 10.00           H  
ATOM    974  HB3 LYS A  92      -2.373  14.356  -0.061  1.00 10.00           H  
ATOM    975  HG2 LYS A  92      -0.591  12.756   0.632  1.00 10.00           H  
ATOM    976  HG3 LYS A  92       0.110  12.861  -0.986  1.00 10.00           H  
ATOM    977  HD2 LYS A  92       0.325  15.354  -0.670  1.00 10.00           H  
ATOM    978  HD3 LYS A  92       0.004  15.079   1.061  1.00 10.00           H  
ATOM    979  HE2 LYS A  92       1.956  13.575   1.215  1.00 10.00           H  
ATOM    980  HE3 LYS A  92       2.155  13.591  -0.546  1.00 10.00           H  
ATOM    981  HZ1 LYS A  92       2.560  15.933   1.156  1.00 10.00           H  
ATOM    982  HZ2 LYS A  92       3.730  14.986   0.481  1.00 10.00           H  
ATOM    983  HZ3 LYS A  92       2.729  15.858  -0.486  1.00 10.00           H  
TER     984      LYS A  92                                                      
HETATM  985 FE   HEC A  93      -3.594  -2.631   2.507  1.00 10.00          FE  
HETATM  986  CHA HEC A  93      -4.711  -1.015   5.435  1.00 10.00           C  
HETATM  987  CHB HEC A  93      -1.271  -0.127   2.053  1.00 10.00           C  
HETATM  988  CHC HEC A  93      -2.358  -4.454  -0.051  1.00 10.00           C  
HETATM  989  CHD HEC A  93      -6.175  -4.985   2.956  1.00 10.00           C  
HETATM  990  NA  HEC A  93      -3.053  -0.912   3.575  1.00 10.00           N  
HETATM  991  C1A HEC A  93      -3.636  -0.469   4.728  1.00 10.00           C  
HETATM  992  C2A HEC A  93      -2.969   0.753   5.110  1.00 10.00           C  
HETATM  993  C3A HEC A  93      -2.004   1.018   4.165  1.00 10.00           C  
HETATM  994  C4A HEC A  93      -2.072  -0.046   3.187  1.00 10.00           C  
HETATM  995  CMA HEC A  93      -1.032   2.181   4.166  1.00 10.00           C  
HETATM  996  CAA HEC A  93      -3.333   1.588   6.313  1.00 10.00           C  
HETATM  997  CBA HEC A  93      -4.697   2.276   6.172  1.00 10.00           C  
HETATM  998  CGA HEC A  93      -5.357   2.413   7.533  1.00 10.00           C  
HETATM  999  O1A HEC A  93      -5.395   3.555   8.039  1.00 10.00           O  
HETATM 1000  O2A HEC A  93      -5.784   1.357   8.049  1.00 10.00           O  
HETATM 1001  NB  HEC A  93      -2.130  -2.308   1.189  1.00 10.00           N  
HETATM 1002  C1B HEC A  93      -1.321  -1.202   1.155  1.00 10.00           C  
HETATM 1003  C2B HEC A  93      -0.499  -1.321  -0.024  1.00 10.00           C  
HETATM 1004  C3B HEC A  93      -0.701  -2.591  -0.531  1.00 10.00           C  
HETATM 1005  C4B HEC A  93      -1.789  -3.191   0.211  1.00 10.00           C  
HETATM 1006  CMB HEC A  93       0.381  -0.233  -0.610  1.00 10.00           C  
HETATM 1007  CAB HEC A  93       0.033  -3.223  -1.692  1.00 10.00           C  
HETATM 1008  CBB HEC A  93       1.523  -3.463  -1.434  1.00 10.00           C  
HETATM 1009  NC  HEC A  93      -4.139  -4.436   1.646  1.00 10.00           N  
HETATM 1010  C1C HEC A  93      -3.469  -4.977   0.611  1.00 10.00           C  
HETATM 1011  C2C HEC A  93      -4.157  -6.189   0.226  1.00 10.00           C  
HETATM 1012  C3C HEC A  93      -5.236  -6.345   1.069  1.00 10.00           C  
HETATM 1013  C4C HEC A  93      -5.225  -5.211   1.966  1.00 10.00           C  
HETATM 1014  CMC HEC A  93      -3.879  -6.987  -1.022  1.00 10.00           C  
HETATM 1015  CAC HEC A  93      -6.307  -7.424   0.979  1.00 10.00           C  
HETATM 1016  CBC HEC A  93      -5.828  -8.825   1.368  1.00 10.00           C  
HETATM 1017  ND  HEC A  93      -5.187  -2.914   3.907  1.00 10.00           N  
HETATM 1018  C1D HEC A  93      -6.118  -3.916   3.839  1.00 10.00           C  
HETATM 1019  C2D HEC A  93      -7.052  -3.722   4.920  1.00 10.00           C  
HETATM 1020  C3D HEC A  93      -6.608  -2.646   5.652  1.00 10.00           C  
HETATM 1021  C4D HEC A  93      -5.435  -2.121   4.994  1.00 10.00           C  
HETATM 1022  CMD HEC A  93      -8.242  -4.589   5.264  1.00 10.00           C  
HETATM 1023  CAD HEC A  93      -7.161  -2.244   6.995  1.00 10.00           C  
HETATM 1024  CBD HEC A  93      -6.598  -3.167   8.068  1.00 10.00           C  
HETATM 1025  CGD HEC A  93      -7.554  -3.337   9.231  1.00 10.00           C  
HETATM 1026  O1D HEC A  93      -8.306  -4.335   9.179  1.00 10.00           O  
HETATM 1027  O2D HEC A  93      -7.499  -2.492  10.147  1.00 10.00           O  
HETATM 1028  HHA HEC A  93      -5.035  -0.516   6.337  1.00 10.00           H  
HETATM 1029  HHB HEC A  93      -0.549   0.657   1.901  1.00 10.00           H  
HETATM 1030  HHC HEC A  93      -1.966  -5.058  -0.847  1.00 10.00           H  
HETATM 1031  HHD HEC A  93      -6.967  -5.698   3.091  1.00 10.00           H  
HETATM 1032 HMA1 HEC A  93      -1.403   3.000   4.780  1.00 10.00           H  
HETATM 1033 HMA2 HEC A  93      -0.071   1.849   4.569  1.00 10.00           H  
HETATM 1034 HMA3 HEC A  93      -0.888   2.574   3.160  1.00 10.00           H  
HETATM 1035 HAA1 HEC A  93      -2.582   2.344   6.531  1.00 10.00           H  
HETATM 1036 HAA2 HEC A  93      -3.356   0.918   7.173  1.00 10.00           H  
HETATM 1037 HBA1 HEC A  93      -5.367   1.691   5.544  1.00 10.00           H  
HETATM 1038 HBA2 HEC A  93      -4.575   3.254   5.706  1.00 10.00           H  
HETATM 1039 HMB1 HEC A  93       1.403  -0.595  -0.656  1.00 10.00           H  
HETATM 1040 HMB2 HEC A  93       0.035   0.065  -1.604  1.00 10.00           H  
HETATM 1041 HMB3 HEC A  93       0.381   0.675  -0.015  1.00 10.00           H  
HETATM 1042  HAB HEC A  93      -0.381  -4.197  -1.928  1.00 10.00           H  
HETATM 1043 HBB1 HEC A  93       1.647  -4.023  -0.507  1.00 10.00           H  
HETATM 1044 HBB2 HEC A  93       1.937  -4.040  -2.260  1.00 10.00           H  
HETATM 1045 HBB3 HEC A  93       2.074  -2.530  -1.360  1.00 10.00           H  
HETATM 1046 HMC1 HEC A  93      -2.817  -7.177  -1.146  1.00 10.00           H  
HETATM 1047 HMC2 HEC A  93      -4.381  -7.949  -1.015  1.00 10.00           H  
HETATM 1048 HMC3 HEC A  93      -4.240  -6.399  -1.865  1.00 10.00           H  
HETATM 1049  HAC HEC A  93      -7.136  -7.198   1.642  1.00 10.00           H  
HETATM 1050 HBC1 HEC A  93      -6.658  -9.529   1.287  1.00 10.00           H  
HETATM 1051 HBC2 HEC A  93      -5.013  -9.163   0.731  1.00 10.00           H  
HETATM 1052 HBC3 HEC A  93      -5.490  -8.807   2.401  1.00 10.00           H  
HETATM 1053 HMD1 HEC A  93      -7.946  -5.320   6.015  1.00 10.00           H  
HETATM 1054 HMD2 HEC A  93      -9.049  -3.981   5.669  1.00 10.00           H  
HETATM 1055 HMD3 HEC A  93      -8.633  -5.108   4.390  1.00 10.00           H  
HETATM 1056 HAD1 HEC A  93      -8.245  -2.348   6.984  1.00 10.00           H  
HETATM 1057 HAD2 HEC A  93      -6.940  -1.209   7.256  1.00 10.00           H  
HETATM 1058 HBD1 HEC A  93      -5.637  -2.788   8.408  1.00 10.00           H  
HETATM 1059 HBD2 HEC A  93      -6.449  -4.153   7.635  1.00 10.00           H  
CONECT  159 1007                                                                
CONECT  199 1015                                                                
CONECT  213  985                                                                
CONECT  678  985                                                                
CONECT  985  213  678  990 1001                                                 
CONECT  985 1009 1017                                                           
CONECT  986  991 1021 1028                                                      
CONECT  987  994 1002 1029                                                      
CONECT  988 1005 1010 1030                                                      
CONECT  989 1013 1018 1031                                                      
CONECT  990  985  991  994                                                      
CONECT  991  986  990  992                                                      
CONECT  992  991  993  996                                                      
CONECT  993  992  994  995                                                      
CONECT  994  987  990  993                                                      
CONECT  995  993 1032 1033 1034                                                 
CONECT  996  992  997 1035 1036                                                 
CONECT  997  996  998 1037 1038                                                 
CONECT  998  997  999 1000                                                      
CONECT  999  998                                                                
CONECT 1000  998                                                                
CONECT 1001  985 1002 1005                                                      
CONECT 1002  987 1001 1003                                                      
CONECT 1003 1002 1004 1006                                                      
CONECT 1004 1003 1005 1007                                                      
CONECT 1005  988 1001 1004                                                      
CONECT 1006 1003 1039 1040 1041                                                 
CONECT 1007  159 1004 1008 1042                                                 
CONECT 1008 1007 1043 1044 1045                                                 
CONECT 1009  985 1010 1013                                                      
CONECT 1010  988 1009 1011                                                      
CONECT 1011 1010 1012 1014                                                      
CONECT 1012 1011 1013 1015                                                      
CONECT 1013  989 1009 1012                                                      
CONECT 1014 1011 1046 1047 1048                                                 
CONECT 1015  199 1012 1016 1049                                                 
CONECT 1016 1015 1050 1051 1052                                                 
CONECT 1017  985 1018 1021                                                      
CONECT 1018  989 1017 1019                                                      
CONECT 1019 1018 1020 1022                                                      
CONECT 1020 1019 1021 1023                                                      
CONECT 1021  986 1017 1020                                                      
CONECT 1022 1019 1053 1054 1055                                                 
CONECT 1023 1020 1024 1056 1057                                                 
CONECT 1024 1023 1025 1058 1059                                                 
CONECT 1025 1024 1026 1027                                                      
CONECT 1026 1025                                                                
CONECT 1027 1025                                                                
CONECT 1028  986                                                                
CONECT 1029  987                                                                
CONECT 1030  988                                                                
CONECT 1031  989                                                                
CONECT 1032  995                                                                
CONECT 1033  995                                                                
CONECT 1034  995                                                                
CONECT 1035  996                                                                
CONECT 1036  996                                                                
CONECT 1037  997                                                                
CONECT 1038  997                                                                
CONECT 1039 1006                                                                
CONECT 1040 1006                                                                
CONECT 1041 1006                                                                
CONECT 1042 1007                                                                
CONECT 1043 1008                                                                
CONECT 1044 1008                                                                
CONECT 1045 1008                                                                
CONECT 1046 1014                                                                
CONECT 1047 1014                                                                
CONECT 1048 1014                                                                
CONECT 1049 1015                                                                
CONECT 1050 1016                                                                
CONECT 1051 1016                                                                
CONECT 1052 1016                                                                
CONECT 1053 1022                                                                
CONECT 1054 1022                                                                
CONECT 1055 1022                                                                
CONECT 1056 1023                                                                
CONECT 1057 1023                                                                
CONECT 1058 1024                                                                
CONECT 1059 1024                                                                
MASTER      111    0    1    5    0    0    5    6 1058    1   80    6          
END