HEADER    ELECTRON TRANSPORT                      01-SEP-06   2I8F              
TITLE     SOLUTION CONFORMATION OF THE H47A MUTANT OF PSEUDOMONAS STUTZERI      
TITLE    2 ZOBELL FERROCYTOCHROME C-551                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYTOCHROME C-551;                                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: CYTOCHROME C551, CYTOCHROME C8;                             
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI ZOBELL;                    
SOURCE   3 ORGANISM_TAXID: 96564;                                               
SOURCE   4 STRAIN: ZOBELL;                                                      
SOURCE   5 GENE: NIRM;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: UT5600;                                    
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PBR329                                    
KEYWDS    HELIX-TURN-HELIX, CYTOCHROME, ELECTRON TRANSPORT                      
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    Q.LIANG,R.TIMKOVICH                                                   
REVDAT   4   20-OCT-21 2I8F    1       REMARK SEQADV LINK                       
REVDAT   3   24-FEB-09 2I8F    1       VERSN                                    
REVDAT   2   04-SEP-07 2I8F    1       JRNL                                     
REVDAT   1   05-JUN-07 2I8F    0                                                
JRNL        AUTH   Q.LIANG,G.T.MILLER,C.A.BEEGHLEY,C.B.GRAF,R.TIMKOVICH         
JRNL        TITL   SOLUTION CONFORMATION OF THE HIS-47 TO ALA-47 MUTANT OF      
JRNL        TITL 2 PSEUDOMONAS STUTZERI ZOBELL FERROCYTOCHROME C-551.           
JRNL        REF    BIOPHYS.J.                    V.  93  1700 2007              
JRNL        REFN                   ISSN 0006-3495                               
JRNL        PMID   17496029                                                     
JRNL        DOI    10.1529/BIOPHYSJ.106.102772                                  
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA 2.0 ALPHA, CNS 1.1                              
REMARK   3   AUTHORS     : M.NILGES, S. I. O'DONOGHUE (ARIA), A. BRUNGER, P.    
REMARK   3                 D. ADAMS, G. M. CLORE, W. L. DELANO, P. GROS, R.     
REMARK   3                 W. GROSS-KUNSTLEVE, J. S. JIANG, J. KUSZEWSKI, M.    
REMARK   3                 NILGES, N. S. PANNU, R. J. READ, L. M. RICE, T.      
REMARK   3                 SIMONSON, G. L. WARREN (CNS)                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES ARE BASED ON A TOTAL OF 1511 RESTRAINTS, 1414 ARE    
REMARK   3  NOE-DERIVED                                                         
REMARK   3  DISTANCE CONSTRAINTS, 67 DIHEDRAL ANGLE RESTRAINTS, 30 DISTANCE     
REMARK   3  RESTRAINTS                                                          
REMARK   3  FROM HYDROGEN BONDS.                                                
REMARK   4                                                                      
REMARK   4 2I8F COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-SEP-06.                  
REMARK 100 THE DEPOSITION ID IS D_1000039267.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 50 MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.5 MM H47A C-551, 50 MM SODIUM    
REMARK 210                                   PHOSPHATE BUFFER, 90% H2O, 10%     
REMARK 210                                   D2O                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D TOCSY; 2D NOESY; DQF-COSY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE JULY, 2004, TOPSPIN 1.3,   
REMARK 210                                   NMRVIEW 6.2.10                     
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
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 : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP A  19      -61.91   -124.41                                   
REMARK 500    MET A  22      -64.47    -99.41                                   
REMARK 500    ALA A  35       74.26   -101.97                                   
REMARK 500    VAL A  55      -42.62   -144.77                                   
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  83  FE                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A  16   NE2                                                    
REMARK 620 2 HEC A  83   NA   89.8                                              
REMARK 620 3 HEC A  83   NB   90.2  90.2                                        
REMARK 620 4 HEC A  83   NC   90.4 179.8  89.8                                  
REMARK 620 5 HEC A  83   ND   89.5  90.1 179.5  89.9                            
REMARK 620 6 MET A  61   SD  177.9  88.2  90.4  91.7  90.0                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 83                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1CCH   RELATED DB: PDB                                   
REMARK 900 1CCH IS THE SOLUTION CONFORMATION OF CYTOCHROME C-551 FROM           
REMARK 900 PSEUDOMONAS STUTZERI ZOBELL DETERMINED BY NMR                        
DBREF  2I8F A    1    82  UNP    P00101   CY551_PSEST     23    104             
SEQADV 2I8F ALA A   47  UNP  P00101    HIS    69 ENGINEERED MUTATION            
SEQRES   1 A   82  GLN ASP GLY GLU ALA LEU PHE LYS SER LYS PRO CYS ALA          
SEQRES   2 A   82  ALA CYS HIS SER VAL ASP THR LYS MET VAL GLY PRO ALA          
SEQRES   3 A   82  LEU LYS GLU VAL ALA ALA LYS ASN ALA GLY VAL GLU GLY          
SEQRES   4 A   82  ALA ALA ASP THR LEU ALA LEU ALA ILE LYS ASN GLY SER          
SEQRES   5 A   82  GLN GLY VAL TRP GLY PRO ILE PRO MET PRO PRO ASN PRO          
SEQRES   6 A   82  VAL THR GLU GLU GLU ALA LYS ILE LEU ALA GLU TRP VAL          
SEQRES   7 A   82  LEU SER LEU LYS                                              
HET    HEC  A  83      75                                                       
HETNAM     HEC HEME C                                                           
FORMUL   2  HEC    C34 H34 FE N4 O4                                             
HELIX    1   1 ASP A    2  LYS A   10  1                                   9    
HELIX    2   2 ALA A   26  ASN A   34  1                                   9    
HELIX    3   3 GLY A   39  ASN A   50  1                                  12    
HELIX    4   4 THR A   67  SER A   80  1                                  14    
LINK         SG  CYS A  12                 CAB HEC A  83     1555   1555  1.83  
LINK         SG  CYS A  15                 CAC HEC A  83     1555   1555  1.84  
LINK         NE2 HIS A  16                FE   HEC A  83     1555   1555  1.96  
LINK         SD  MET A  61                FE   HEC A  83     1555   1555  2.38  
SITE     1 AC1 16 PRO A  11  CYS A  12  CYS A  15  HIS A  16                    
SITE     2 AC1 16 PRO A  25  LEU A  44  ALA A  47  ILE A  48                    
SITE     3 AC1 16 SER A  52  GLY A  54  VAL A  55  TRP A  56                    
SITE     4 AC1 16 GLY A  57  ILE A  59  MET A  61  LEU A  74                    
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   GLN A   1     -12.418   2.529   8.583  1.00  1.52           N  
ATOM      2  CA  GLN A   1     -12.261   1.841   7.249  1.00  1.18           C  
ATOM      3  C   GLN A   1     -11.456   2.721   6.237  1.00  1.26           C  
ATOM      4  O   GLN A   1     -10.866   2.177   5.309  1.00  1.86           O  
ATOM      5  CB  GLN A   1     -13.666   1.494   6.667  1.00  0.93           C  
ATOM      6  CG  GLN A   1     -13.583   0.357   5.607  1.00  1.18           C  
ATOM      7  CD  GLN A   1     -13.532  -1.033   6.285  1.00  1.33           C  
ATOM      8  OE1 GLN A   1     -12.499  -1.442   6.780  1.00  1.85           O  
ATOM      9  NE2 GLN A   1     -14.606  -1.784   6.323  1.00  1.59           N  
ATOM     10  H1  GLN A   1     -13.080   3.329   8.497  1.00  1.98           H  
ATOM     11  H2  GLN A   1     -11.492   2.879   8.908  1.00  1.82           H  
ATOM     12  H3  GLN A   1     -12.791   1.851   9.279  1.00  1.79           H  
ATOM     13  HA  GLN A   1     -11.716   0.922   7.413  1.00  1.44           H  
ATOM     14  HB2 GLN A   1     -14.317   1.182   7.473  1.00  1.08           H  
ATOM     15  HB3 GLN A   1     -14.089   2.376   6.204  1.00  1.09           H  
ATOM     16  HG2 GLN A   1     -14.455   0.408   4.970  1.00  1.47           H  
ATOM     17  HG3 GLN A   1     -12.699   0.489   4.998  1.00  1.56           H  
ATOM     18 HE21 GLN A   1     -15.447  -1.471   5.924  1.00  1.87           H  
ATOM     19 HE22 GLN A   1     -14.570  -2.663   6.754  1.00  1.89           H  
ATOM     20  N   ASP A   2     -11.425   4.062   6.405  1.00  0.97           N  
ATOM     21  CA  ASP A   2     -10.655   4.982   5.451  1.00  1.06           C  
ATOM     22  C   ASP A   2      -9.129   4.652   5.457  1.00  0.78           C  
ATOM     23  O   ASP A   2      -8.626   4.068   6.407  1.00  0.56           O  
ATOM     24  CB  ASP A   2     -10.900   6.481   5.807  1.00  1.33           C  
ATOM     25  CG  ASP A   2     -10.459   6.819   7.252  1.00  1.50           C  
ATOM     26  OD1 ASP A   2     -11.246   6.601   8.161  1.00  2.04           O  
ATOM     27  OD2 ASP A   2      -9.345   7.294   7.418  1.00  1.83           O  
ATOM     28  H   ASP A   2     -11.910   4.463   7.157  1.00  1.10           H  
ATOM     29  HA  ASP A   2     -11.029   4.808   4.450  1.00  1.24           H  
ATOM     30  HB2 ASP A   2     -10.350   7.102   5.113  1.00  1.80           H  
ATOM     31  HB3 ASP A   2     -11.954   6.695   5.700  1.00  1.95           H  
ATOM     32  N   GLY A   3      -8.414   5.010   4.381  1.00  0.93           N  
ATOM     33  CA  GLY A   3      -6.928   4.719   4.246  1.00  0.85           C  
ATOM     34  C   GLY A   3      -6.077   5.327   5.395  1.00  0.63           C  
ATOM     35  O   GLY A   3      -5.098   4.716   5.804  1.00  0.57           O  
ATOM     36  H   GLY A   3      -8.868   5.463   3.637  1.00  1.19           H  
ATOM     37  HA2 GLY A   3      -6.786   3.648   4.236  1.00  0.86           H  
ATOM     38  HA3 GLY A   3      -6.583   5.118   3.309  1.00  1.06           H  
ATOM     39  N   GLU A   4      -6.444   6.510   5.916  1.00  0.61           N  
ATOM     40  CA  GLU A   4      -5.660   7.169   7.052  1.00  0.50           C  
ATOM     41  C   GLU A   4      -5.843   6.357   8.372  1.00  0.49           C  
ATOM     42  O   GLU A   4      -4.884   6.159   9.110  1.00  0.44           O  
ATOM     43  CB  GLU A   4      -6.146   8.645   7.257  1.00  0.65           C  
ATOM     44  CG  GLU A   4      -4.954   9.623   7.450  1.00  0.77           C  
ATOM     45  CD  GLU A   4      -4.371   9.523   8.877  1.00  1.03           C  
ATOM     46  OE1 GLU A   4      -4.902  10.173   9.765  1.00  1.53           O  
ATOM     47  OE2 GLU A   4      -3.397   8.805   9.052  1.00  1.23           O  
ATOM     48  H   GLU A   4      -7.239   6.965   5.560  1.00  0.74           H  
ATOM     49  HA  GLU A   4      -4.609   7.169   6.787  1.00  0.43           H  
ATOM     50  HB2 GLU A   4      -6.701   8.955   6.383  1.00  0.89           H  
ATOM     51  HB3 GLU A   4      -6.799   8.703   8.118  1.00  0.76           H  
ATOM     52  HG2 GLU A   4      -4.181   9.396   6.732  1.00  0.89           H  
ATOM     53  HG3 GLU A   4      -5.300  10.633   7.280  1.00  1.03           H  
ATOM     54  N   ALA A   5      -7.071   5.884   8.650  1.00  0.59           N  
ATOM     55  CA  ALA A   5      -7.366   5.072   9.901  1.00  0.64           C  
ATOM     56  C   ALA A   5      -6.920   3.593   9.718  1.00  0.53           C  
ATOM     57  O   ALA A   5      -6.466   2.974  10.672  1.00  0.50           O  
ATOM     58  CB  ALA A   5      -8.876   5.121  10.206  1.00  0.82           C  
ATOM     59  H   ALA A   5      -7.804   6.063   8.021  1.00  0.69           H  
ATOM     60  HA  ALA A   5      -6.828   5.502  10.737  1.00  0.66           H  
ATOM     61  HB1 ALA A   5      -9.083   4.565  11.110  1.00  1.26           H  
ATOM     62  HB2 ALA A   5      -9.428   4.690   9.383  1.00  1.32           H  
ATOM     63  HB3 ALA A   5      -9.181   6.149  10.341  1.00  1.19           H  
ATOM     64  N   LEU A   6      -7.045   3.033   8.498  1.00  0.53           N  
ATOM     65  CA  LEU A   6      -6.631   1.592   8.221  1.00  0.51           C  
ATOM     66  C   LEU A   6      -5.079   1.460   8.228  1.00  0.39           C  
ATOM     67  O   LEU A   6      -4.562   0.432   8.637  1.00  0.35           O  
ATOM     68  CB  LEU A   6      -7.206   1.118   6.846  1.00  0.65           C  
ATOM     69  CG  LEU A   6      -7.608  -0.391   6.888  1.00  0.67           C  
ATOM     70  CD1 LEU A   6      -8.979  -0.567   7.585  1.00  1.17           C  
ATOM     71  CD2 LEU A   6      -7.686  -0.957   5.451  1.00  1.15           C  
ATOM     72  H   LEU A   6      -7.412   3.569   7.761  1.00  0.58           H  
ATOM     73  HA  LEU A   6      -7.033   0.967   9.009  1.00  0.55           H  
ATOM     74  HB2 LEU A   6      -8.079   1.709   6.604  1.00  0.80           H  
ATOM     75  HB3 LEU A   6      -6.462   1.270   6.074  1.00  0.74           H  
ATOM     76  HG  LEU A   6      -6.860  -0.942   7.443  1.00  0.62           H  
ATOM     77 HD11 LEU A   6      -9.237  -1.615   7.617  1.00  1.47           H  
ATOM     78 HD12 LEU A   6      -9.738  -0.028   7.039  1.00  1.62           H  
ATOM     79 HD13 LEU A   6      -8.924  -0.183   8.594  1.00  1.82           H  
ATOM     80 HD21 LEU A   6      -6.697  -0.972   5.018  1.00  1.78           H  
ATOM     81 HD22 LEU A   6      -8.333  -0.336   4.846  1.00  1.39           H  
ATOM     82 HD23 LEU A   6      -8.079  -1.963   5.476  1.00  1.70           H  
ATOM     83  N   PHE A   7      -4.343   2.504   7.797  1.00  0.40           N  
ATOM     84  CA  PHE A   7      -2.816   2.474   7.792  1.00  0.41           C  
ATOM     85  C   PHE A   7      -2.276   2.385   9.258  1.00  0.40           C  
ATOM     86  O   PHE A   7      -1.253   1.751   9.494  1.00  0.52           O  
ATOM     87  CB  PHE A   7      -2.277   3.755   7.088  1.00  0.45           C  
ATOM     88  CG  PHE A   7      -0.783   3.637   6.763  1.00  0.40           C  
ATOM     89  CD1 PHE A   7      -0.355   2.894   5.645  1.00  0.39           C  
ATOM     90  CD2 PHE A   7       0.171   4.277   7.575  1.00  0.41           C  
ATOM     91  CE1 PHE A   7       1.010   2.794   5.350  1.00  0.40           C  
ATOM     92  CE2 PHE A   7       1.533   4.173   7.274  1.00  0.41           C  
ATOM     93  CZ  PHE A   7       1.952   3.433   6.164  1.00  0.40           C  
ATOM     94  H   PHE A   7      -4.801   3.317   7.489  1.00  0.46           H  
ATOM     95  HA  PHE A   7      -2.488   1.600   7.242  1.00  0.49           H  
ATOM     96  HB2 PHE A   7      -2.823   3.903   6.168  1.00  0.51           H  
ATOM     97  HB3 PHE A   7      -2.442   4.612   7.730  1.00  0.52           H  
ATOM     98  HD1 PHE A   7      -1.079   2.398   5.014  1.00  0.42           H  
ATOM     99  HD2 PHE A   7      -0.147   4.851   8.435  1.00  0.46           H  
ATOM    100  HE1 PHE A   7       1.336   2.224   4.493  1.00  0.44           H  
ATOM    101  HE2 PHE A   7       2.263   4.665   7.900  1.00  0.46           H  
ATOM    102  HZ  PHE A   7       3.004   3.356   5.934  1.00  0.44           H  
ATOM    103  N   LYS A   8      -2.975   3.005  10.227  1.00  0.40           N  
ATOM    104  CA  LYS A   8      -2.553   2.967  11.688  1.00  0.53           C  
ATOM    105  C   LYS A   8      -3.200   1.745  12.405  1.00  0.45           C  
ATOM    106  O   LYS A   8      -2.582   1.165  13.291  1.00  0.52           O  
ATOM    107  CB  LYS A   8      -2.988   4.276  12.398  1.00  0.70           C  
ATOM    108  CG  LYS A   8      -2.163   5.479  11.872  1.00  1.03           C  
ATOM    109  CD  LYS A   8      -2.497   6.774  12.655  1.00  1.51           C  
ATOM    110  CE  LYS A   8      -3.823   7.398  12.163  1.00  1.53           C  
ATOM    111  NZ  LYS A   8      -3.981   8.781  12.715  1.00  1.17           N  
ATOM    112  H   LYS A   8      -3.795   3.491   9.989  1.00  0.41           H  
ATOM    113  HA  LYS A   8      -1.474   2.875  11.746  1.00  0.66           H  
ATOM    114  HB2 LYS A   8      -4.038   4.453  12.210  1.00  0.97           H  
ATOM    115  HB3 LYS A   8      -2.828   4.176  13.464  1.00  0.96           H  
ATOM    116  HG2 LYS A   8      -1.109   5.264  11.988  1.00  1.44           H  
ATOM    117  HG3 LYS A   8      -2.377   5.628  10.822  1.00  1.38           H  
ATOM    118  HD2 LYS A   8      -2.581   6.549  13.710  1.00  2.03           H  
ATOM    119  HD3 LYS A   8      -1.698   7.486  12.511  1.00  2.08           H  
ATOM    120  HE2 LYS A   8      -3.823   7.446  11.084  1.00  2.37           H  
ATOM    121  HE3 LYS A   8      -4.651   6.786  12.492  1.00  1.99           H  
ATOM    122  HZ1 LYS A   8      -3.191   9.379  12.396  1.00  1.51           H  
ATOM    123  HZ2 LYS A   8      -3.992   8.744  13.756  1.00  1.41           H  
ATOM    124  HZ3 LYS A   8      -4.875   9.187  12.375  1.00  1.89           H  
ATOM    125  N   SER A   9      -4.435   1.353  12.024  1.00  0.40           N  
ATOM    126  CA  SER A   9      -5.146   0.165  12.667  1.00  0.38           C  
ATOM    127  C   SER A   9      -4.495  -1.161  12.189  1.00  0.34           C  
ATOM    128  O   SER A   9      -4.078  -1.970  13.011  1.00  0.41           O  
ATOM    129  CB  SER A   9      -6.648   0.175  12.298  1.00  0.43           C  
ATOM    130  OG  SER A   9      -7.279   1.310  12.888  1.00  0.49           O  
ATOM    131  H   SER A   9      -4.894   1.846  11.308  1.00  0.43           H  
ATOM    132  HA  SER A   9      -5.047   0.238  13.744  1.00  0.43           H  
ATOM    133  HB2 SER A   9      -6.758   0.230  11.228  1.00  0.41           H  
ATOM    134  HB3 SER A   9      -7.115  -0.736  12.657  1.00  0.50           H  
ATOM    135  HG  SER A   9      -7.651   1.044  13.733  1.00  0.44           H  
ATOM    136  N   LYS A  10      -4.384  -1.367  10.864  1.00  0.39           N  
ATOM    137  CA  LYS A  10      -3.731  -2.622  10.295  1.00  0.39           C  
ATOM    138  C   LYS A  10      -2.178  -2.482  10.398  1.00  0.34           C  
ATOM    139  O   LYS A  10      -1.691  -1.358  10.511  1.00  0.36           O  
ATOM    140  CB  LYS A  10      -4.133  -2.814   8.806  1.00  0.49           C  
ATOM    141  CG  LYS A  10      -5.588  -3.319   8.693  1.00  0.51           C  
ATOM    142  CD  LYS A  10      -5.885  -3.767   7.243  1.00  0.53           C  
ATOM    143  CE  LYS A  10      -7.366  -4.179   7.089  1.00  0.51           C  
ATOM    144  NZ  LYS A  10      -7.632  -5.492   7.762  1.00  0.81           N  
ATOM    145  H   LYS A  10      -4.714  -0.680  10.243  1.00  0.51           H  
ATOM    146  HA  LYS A  10      -4.053  -3.479  10.873  1.00  0.40           H  
ATOM    147  HB2 LYS A  10      -4.042  -1.873   8.286  1.00  0.68           H  
ATOM    148  HB3 LYS A  10      -3.472  -3.534   8.344  1.00  0.62           H  
ATOM    149  HG2 LYS A  10      -5.731  -4.157   9.363  1.00  0.75           H  
ATOM    150  HG3 LYS A  10      -6.264  -2.522   8.968  1.00  0.76           H  
ATOM    151  HD2 LYS A  10      -5.675  -2.951   6.565  1.00  0.73           H  
ATOM    152  HD3 LYS A  10      -5.255  -4.609   6.992  1.00  0.78           H  
ATOM    153  HE2 LYS A  10      -7.999  -3.422   7.527  1.00  1.10           H  
ATOM    154  HE3 LYS A  10      -7.599  -4.266   6.037  1.00  1.03           H  
ATOM    155  HZ1 LYS A  10      -6.958  -6.208   7.420  1.00  1.38           H  
ATOM    156  HZ2 LYS A  10      -8.601  -5.799   7.543  1.00  1.31           H  
ATOM    157  HZ3 LYS A  10      -7.530  -5.386   8.792  1.00  1.42           H  
ATOM    158  N   PRO A  11      -1.422  -3.613  10.360  1.00  0.34           N  
ATOM    159  CA  PRO A  11       0.067  -3.577  10.456  1.00  0.35           C  
ATOM    160  C   PRO A  11       0.713  -3.122   9.102  1.00  0.30           C  
ATOM    161  O   PRO A  11       1.434  -3.876   8.469  1.00  0.29           O  
ATOM    162  CB  PRO A  11       0.433  -5.030  10.854  1.00  0.43           C  
ATOM    163  CG  PRO A  11      -0.739  -5.924  10.395  1.00  0.46           C  
ATOM    164  CD  PRO A  11      -1.962  -5.006  10.233  1.00  0.39           C  
ATOM    165  HA  PRO A  11       0.370  -2.905  11.246  1.00  0.37           H  
ATOM    166  HB2 PRO A  11       1.352  -5.341  10.373  1.00  0.46           H  
ATOM    167  HB3 PRO A  11       0.540  -5.100  11.925  1.00  0.48           H  
ATOM    168  HG2 PRO A  11      -0.497  -6.393   9.451  1.00  0.50           H  
ATOM    169  HG3 PRO A  11      -0.945  -6.677  11.141  1.00  0.52           H  
ATOM    170  HD2 PRO A  11      -2.411  -5.154   9.261  1.00  0.42           H  
ATOM    171  HD3 PRO A  11      -2.681  -5.200  11.015  1.00  0.40           H  
ATOM    172  N   CYS A  12       0.472  -1.869   8.681  1.00  0.29           N  
ATOM    173  CA  CYS A  12       1.084  -1.316   7.402  1.00  0.26           C  
ATOM    174  C   CYS A  12       2.217  -0.330   7.790  1.00  0.24           C  
ATOM    175  O   CYS A  12       3.290  -0.370   7.206  1.00  0.23           O  
ATOM    176  CB  CYS A  12       0.042  -0.574   6.518  1.00  0.26           C  
ATOM    177  SG  CYS A  12      -1.498  -1.527   6.261  1.00  0.29           S  
ATOM    178  H   CYS A  12      -0.093  -1.280   9.224  1.00  0.31           H  
ATOM    179  HA  CYS A  12       1.514  -2.124   6.832  1.00  0.26           H  
ATOM    180  HB2 CYS A  12      -0.217   0.362   6.991  1.00  0.27           H  
ATOM    181  HB3 CYS A  12       0.489  -0.363   5.556  1.00  0.26           H  
ATOM    182  N   ALA A  13       1.972   0.543   8.790  1.00  0.28           N  
ATOM    183  CA  ALA A  13       3.004   1.558   9.273  1.00  0.30           C  
ATOM    184  C   ALA A  13       4.266   0.881   9.899  1.00  0.31           C  
ATOM    185  O   ALA A  13       5.304   1.528  10.004  1.00  0.41           O  
ATOM    186  CB  ALA A  13       2.353   2.487  10.319  1.00  0.37           C  
ATOM    187  H   ALA A  13       1.094   0.524   9.231  1.00  0.32           H  
ATOM    188  HA  ALA A  13       3.317   2.158   8.430  1.00  0.30           H  
ATOM    189  HB1 ALA A  13       2.081   1.915  11.195  1.00  0.80           H  
ATOM    190  HB2 ALA A  13       1.468   2.938   9.898  1.00  0.90           H  
ATOM    191  HB3 ALA A  13       3.052   3.264  10.599  1.00  0.83           H  
ATOM    192  N   ALA A  14       4.189  -0.405  10.309  1.00  0.27           N  
ATOM    193  CA  ALA A  14       5.380  -1.136  10.926  1.00  0.28           C  
ATOM    194  C   ALA A  14       6.565  -1.209   9.916  1.00  0.24           C  
ATOM    195  O   ALA A  14       7.696  -0.905  10.278  1.00  0.27           O  
ATOM    196  CB  ALA A  14       4.963  -2.562  11.339  1.00  0.31           C  
ATOM    197  H   ALA A  14       3.341  -0.889  10.211  1.00  0.30           H  
ATOM    198  HA  ALA A  14       5.701  -0.596  11.807  1.00  0.30           H  
ATOM    199  HB1 ALA A  14       4.643  -3.115  10.467  1.00  0.89           H  
ATOM    200  HB2 ALA A  14       4.148  -2.506  12.045  1.00  0.83           H  
ATOM    201  HB3 ALA A  14       5.800  -3.067  11.799  1.00  0.98           H  
ATOM    202  N   CYS A  15       6.293  -1.589   8.658  1.00  0.23           N  
ATOM    203  CA  CYS A  15       7.365  -1.671   7.583  1.00  0.21           C  
ATOM    204  C   CYS A  15       7.322  -0.382   6.709  1.00  0.20           C  
ATOM    205  O   CYS A  15       8.362   0.169   6.376  1.00  0.24           O  
ATOM    206  CB  CYS A  15       7.108  -2.875   6.655  1.00  0.20           C  
ATOM    207  SG  CYS A  15       7.161  -4.477   7.544  1.00  0.24           S  
ATOM    208  H   CYS A  15       5.365  -1.807   8.414  1.00  0.26           H  
ATOM    209  HA  CYS A  15       8.343  -1.769   8.040  1.00  0.24           H  
ATOM    210  HB2 CYS A  15       6.134  -2.754   6.211  1.00  0.25           H  
ATOM    211  HB3 CYS A  15       7.848  -2.884   5.868  1.00  0.24           H  
ATOM    212  N   HIS A  16       6.112   0.069   6.316  1.00  0.17           N  
ATOM    213  CA  HIS A  16       5.945   1.300   5.429  1.00  0.18           C  
ATOM    214  C   HIS A  16       6.066   2.617   6.240  1.00  0.20           C  
ATOM    215  O   HIS A  16       5.847   2.641   7.448  1.00  0.39           O  
ATOM    216  CB  HIS A  16       4.552   1.281   4.742  1.00  0.18           C  
ATOM    217  CG  HIS A  16       4.477   0.186   3.707  1.00  0.16           C  
ATOM    218  ND1 HIS A  16       5.027   0.342   2.440  1.00  0.16           N  
ATOM    219  CD2 HIS A  16       3.910  -1.069   3.723  1.00  0.16           C  
ATOM    220  CE1 HIS A  16       4.787  -0.781   1.749  1.00  0.15           C  
ATOM    221  NE2 HIS A  16       4.116  -1.661   2.485  1.00  0.15           N  
ATOM    222  H   HIS A  16       5.307  -0.425   6.591  1.00  0.18           H  
ATOM    223  HA  HIS A  16       6.713   1.291   4.665  1.00  0.19           H  
ATOM    224  HB2 HIS A  16       3.786   1.124   5.482  1.00  0.19           H  
ATOM    225  HB3 HIS A  16       4.379   2.233   4.256  1.00  0.19           H  
ATOM    226  HD1 HIS A  16       5.504   1.131   2.109  1.00  0.17           H  
ATOM    227  HD2 HIS A  16       3.394  -1.514   4.559  1.00  0.18           H  
ATOM    228  HE1 HIS A  16       5.095  -0.943   0.729  1.00  0.15           H  
ATOM    229  N   SER A  17       6.388   3.714   5.542  1.00  0.25           N  
ATOM    230  CA  SER A  17       6.516   5.088   6.172  1.00  0.24           C  
ATOM    231  C   SER A  17       5.657   6.108   5.362  1.00  0.23           C  
ATOM    232  O   SER A  17       5.068   5.759   4.341  1.00  0.26           O  
ATOM    233  CB  SER A  17       8.008   5.509   6.189  1.00  0.31           C  
ATOM    234  OG  SER A  17       8.506   5.457   7.523  1.00  1.41           O  
ATOM    235  H   SER A  17       6.531   3.634   4.571  1.00  0.39           H  
ATOM    236  HA  SER A  17       6.137   5.056   7.188  1.00  0.29           H  
ATOM    237  HB2 SER A  17       8.584   4.834   5.579  1.00  0.87           H  
ATOM    238  HB3 SER A  17       8.117   6.515   5.799  1.00  1.12           H  
ATOM    239  HG  SER A  17       9.348   5.919   7.545  1.00  1.81           H  
ATOM    240  N   VAL A  18       5.577   7.362   5.829  1.00  0.28           N  
ATOM    241  CA  VAL A  18       4.746   8.435   5.127  1.00  0.37           C  
ATOM    242  C   VAL A  18       5.588   9.250   4.097  1.00  0.41           C  
ATOM    243  O   VAL A  18       5.030   9.716   3.107  1.00  0.51           O  
ATOM    244  CB  VAL A  18       4.076   9.408   6.168  1.00  0.43           C  
ATOM    245  CG1 VAL A  18       3.044   8.645   7.028  1.00  0.48           C  
ATOM    246  CG2 VAL A  18       5.121  10.086   7.101  1.00  0.44           C  
ATOM    247  H   VAL A  18       6.057   7.594   6.653  1.00  0.33           H  
ATOM    248  HA  VAL A  18       3.953   7.941   4.579  1.00  0.40           H  
ATOM    249  HB  VAL A  18       3.548  10.180   5.621  1.00  0.49           H  
ATOM    250 HG11 VAL A  18       2.268   8.248   6.392  1.00  1.24           H  
ATOM    251 HG12 VAL A  18       2.601   9.320   7.747  1.00  1.10           H  
ATOM    252 HG13 VAL A  18       3.531   7.833   7.551  1.00  1.00           H  
ATOM    253 HG21 VAL A  18       5.596   9.342   7.725  1.00  0.90           H  
ATOM    254 HG22 VAL A  18       4.625  10.812   7.728  1.00  1.08           H  
ATOM    255 HG23 VAL A  18       5.870  10.587   6.506  1.00  0.98           H  
ATOM    256  N   ASP A  19       6.899   9.452   4.335  1.00  0.43           N  
ATOM    257  CA  ASP A  19       7.764  10.275   3.393  1.00  0.55           C  
ATOM    258  C   ASP A  19       9.006   9.469   2.899  1.00  0.49           C  
ATOM    259  O   ASP A  19       9.156   9.264   1.699  1.00  0.58           O  
ATOM    260  CB  ASP A  19       8.205  11.566   4.144  1.00  0.66           C  
ATOM    261  CG  ASP A  19       8.793  12.610   3.169  1.00  1.13           C  
ATOM    262  OD1 ASP A  19       9.990  12.561   2.925  1.00  2.02           O  
ATOM    263  OD2 ASP A  19       8.038  13.442   2.689  1.00  1.23           O  
ATOM    264  H   ASP A  19       7.305   9.086   5.151  1.00  0.40           H  
ATOM    265  HA  ASP A  19       7.176  10.563   2.528  1.00  0.66           H  
ATOM    266  HB2 ASP A  19       7.345  11.994   4.641  1.00  1.15           H  
ATOM    267  HB3 ASP A  19       8.947  11.314   4.889  1.00  0.67           H  
ATOM    268  N   THR A  20       9.902   9.051   3.809  1.00  0.48           N  
ATOM    269  CA  THR A  20      11.172   8.295   3.414  1.00  0.53           C  
ATOM    270  C   THR A  20      10.946   6.756   3.482  1.00  0.42           C  
ATOM    271  O   THR A  20      10.085   6.283   4.209  1.00  0.43           O  
ATOM    272  CB  THR A  20      12.344   8.712   4.367  1.00  0.69           C  
ATOM    273  OG1 THR A  20      12.301  10.119   4.609  1.00  0.87           O  
ATOM    274  CG2 THR A  20      13.716   8.369   3.747  1.00  1.15           C  
ATOM    275  H   THR A  20       9.752   9.258   4.758  1.00  0.52           H  
ATOM    276  HA  THR A  20      11.436   8.562   2.397  1.00  0.60           H  
ATOM    277  HB  THR A  20      12.246   8.188   5.309  1.00  0.78           H  
ATOM    278  HG1 THR A  20      11.816  10.271   5.425  1.00  1.38           H  
ATOM    279 HG21 THR A  20      13.833   7.297   3.697  1.00  1.48           H  
ATOM    280 HG22 THR A  20      14.503   8.784   4.362  1.00  1.72           H  
ATOM    281 HG23 THR A  20      13.782   8.787   2.752  1.00  1.68           H  
ATOM    282  N   LYS A  21      11.741   5.985   2.723  1.00  0.45           N  
ATOM    283  CA  LYS A  21      11.632   4.466   2.707  1.00  0.41           C  
ATOM    284  C   LYS A  21      12.321   3.864   3.967  1.00  0.45           C  
ATOM    285  O   LYS A  21      13.433   4.258   4.314  1.00  0.64           O  
ATOM    286  CB  LYS A  21      12.340   3.898   1.443  1.00  0.44           C  
ATOM    287  CG  LYS A  21      11.525   4.177   0.159  1.00  0.51           C  
ATOM    288  CD  LYS A  21      12.391   3.871  -1.093  1.00  0.96           C  
ATOM    289  CE  LYS A  21      11.507   3.527  -2.311  1.00  0.71           C  
ATOM    290  NZ  LYS A  21      12.316   3.593  -3.570  1.00  1.10           N  
ATOM    291  H   LYS A  21      12.425   6.415   2.161  1.00  0.55           H  
ATOM    292  HA  LYS A  21      10.588   4.178   2.695  1.00  0.38           H  
ATOM    293  HB2 LYS A  21      13.315   4.356   1.352  1.00  0.45           H  
ATOM    294  HB3 LYS A  21      12.464   2.827   1.553  1.00  0.52           H  
ATOM    295  HG2 LYS A  21      10.643   3.552   0.158  1.00  1.07           H  
ATOM    296  HG3 LYS A  21      11.226   5.215   0.137  1.00  1.02           H  
ATOM    297  HD2 LYS A  21      12.991   4.738  -1.325  1.00  1.69           H  
ATOM    298  HD3 LYS A  21      13.045   3.033  -0.889  1.00  1.83           H  
ATOM    299  HE2 LYS A  21      11.114   2.528  -2.196  1.00  0.98           H  
ATOM    300  HE3 LYS A  21      10.688   4.226  -2.378  1.00  1.35           H  
ATOM    301  HZ1 LYS A  21      13.102   2.913  -3.520  1.00  1.55           H  
ATOM    302  HZ2 LYS A  21      12.694   4.556  -3.694  1.00  1.51           H  
ATOM    303  HZ3 LYS A  21      11.710   3.355  -4.381  1.00  1.55           H  
ATOM    304  N   MET A  22      11.674   2.887   4.623  1.00  0.35           N  
ATOM    305  CA  MET A  22      12.269   2.194   5.840  1.00  0.36           C  
ATOM    306  C   MET A  22      12.874   0.848   5.359  1.00  0.40           C  
ATOM    307  O   MET A  22      14.085   0.667   5.401  1.00  0.45           O  
ATOM    308  CB  MET A  22      11.167   1.946   6.912  1.00  0.35           C  
ATOM    309  CG  MET A  22      10.992   3.178   7.817  1.00  0.36           C  
ATOM    310  SD  MET A  22       9.813   2.787   9.141  1.00  1.37           S  
ATOM    311  CE  MET A  22      10.176   4.193  10.222  1.00  1.95           C  
ATOM    312  H   MET A  22      10.799   2.586   4.290  1.00  0.39           H  
ATOM    313  HA  MET A  22      13.060   2.808   6.262  1.00  0.39           H  
ATOM    314  HB2 MET A  22      10.232   1.736   6.417  1.00  0.39           H  
ATOM    315  HB3 MET A  22      11.443   1.096   7.524  1.00  0.41           H  
ATOM    316  HG2 MET A  22      11.945   3.447   8.251  1.00  0.90           H  
ATOM    317  HG3 MET A  22      10.616   4.005   7.233  1.00  0.77           H  
ATOM    318  HE1 MET A  22       9.539   4.147  11.095  1.00  2.32           H  
ATOM    319  HE2 MET A  22       9.990   5.114   9.693  1.00  2.38           H  
ATOM    320  HE3 MET A  22      11.213   4.156  10.524  1.00  2.51           H  
ATOM    321  N   VAL A  23      12.025  -0.068   4.870  1.00  0.43           N  
ATOM    322  CA  VAL A  23      12.483  -1.416   4.322  1.00  0.46           C  
ATOM    323  C   VAL A  23      11.949  -1.565   2.867  1.00  0.49           C  
ATOM    324  O   VAL A  23      12.695  -1.965   1.979  1.00  0.53           O  
ATOM    325  CB  VAL A  23      12.012  -2.610   5.228  1.00  0.47           C  
ATOM    326  CG1 VAL A  23      12.888  -2.683   6.498  1.00  0.50           C  
ATOM    327  CG2 VAL A  23      10.523  -2.484   5.644  1.00  0.46           C  
ATOM    328  H   VAL A  23      11.068   0.147   4.839  1.00  0.46           H  
ATOM    329  HA  VAL A  23      13.569  -1.421   4.276  1.00  0.47           H  
ATOM    330  HB  VAL A  23      12.144  -3.534   4.677  1.00  0.51           H  
ATOM    331 HG11 VAL A  23      12.777  -1.772   7.071  1.00  1.09           H  
ATOM    332 HG12 VAL A  23      13.924  -2.804   6.215  1.00  1.02           H  
ATOM    333 HG13 VAL A  23      12.583  -3.527   7.100  1.00  1.14           H  
ATOM    334 HG21 VAL A  23      10.256  -3.314   6.285  1.00  0.94           H  
ATOM    335 HG22 VAL A  23       9.898  -2.504   4.766  1.00  0.87           H  
ATOM    336 HG23 VAL A  23      10.366  -1.557   6.177  1.00  1.01           H  
ATOM    337  N   GLY A  24      10.675  -1.207   2.625  1.00  0.48           N  
ATOM    338  CA  GLY A  24      10.054  -1.265   1.249  1.00  0.50           C  
ATOM    339  C   GLY A  24       9.771   0.191   0.757  1.00  0.42           C  
ATOM    340  O   GLY A  24      10.502   1.099   1.144  1.00  0.50           O  
ATOM    341  H   GLY A  24      10.124  -0.871   3.361  1.00  0.47           H  
ATOM    342  HA2 GLY A  24      10.722  -1.761   0.555  1.00  0.58           H  
ATOM    343  HA3 GLY A  24       9.128  -1.813   1.310  1.00  0.55           H  
ATOM    344  N   PRO A  25       8.722   0.396  -0.081  1.00  0.30           N  
ATOM    345  CA  PRO A  25       8.358   1.749  -0.606  1.00  0.27           C  
ATOM    346  C   PRO A  25       7.580   2.582   0.451  1.00  0.23           C  
ATOM    347  O   PRO A  25       6.910   2.027   1.313  1.00  0.31           O  
ATOM    348  CB  PRO A  25       7.460   1.438  -1.816  1.00  0.27           C  
ATOM    349  CG  PRO A  25       6.879   0.028  -1.579  1.00  0.23           C  
ATOM    350  CD  PRO A  25       7.824  -0.677  -0.595  1.00  0.25           C  
ATOM    351  HA  PRO A  25       9.237   2.279  -0.934  1.00  0.36           H  
ATOM    352  HB2 PRO A  25       6.662   2.165  -1.902  1.00  0.30           H  
ATOM    353  HB3 PRO A  25       8.052   1.436  -2.712  1.00  0.34           H  
ATOM    354  HG2 PRO A  25       5.887   0.105  -1.154  1.00  0.23           H  
ATOM    355  HG3 PRO A  25       6.842  -0.521  -2.504  1.00  0.27           H  
ATOM    356  HD2 PRO A  25       7.264  -1.123   0.214  1.00  0.28           H  
ATOM    357  HD3 PRO A  25       8.406  -1.421  -1.108  1.00  0.29           H  
ATOM    358  N   ALA A  26       7.651   3.909   0.349  1.00  0.20           N  
ATOM    359  CA  ALA A  26       6.904   4.832   1.293  1.00  0.20           C  
ATOM    360  C   ALA A  26       5.582   5.286   0.619  1.00  0.20           C  
ATOM    361  O   ALA A  26       5.401   5.099  -0.584  1.00  0.22           O  
ATOM    362  CB  ALA A  26       7.781   6.057   1.609  1.00  0.22           C  
ATOM    363  H   ALA A  26       8.182   4.306  -0.377  1.00  0.25           H  
ATOM    364  HA  ALA A  26       6.674   4.310   2.214  1.00  0.23           H  
ATOM    365  HB1 ALA A  26       8.714   5.727   2.040  1.00  0.97           H  
ATOM    366  HB2 ALA A  26       7.270   6.699   2.312  1.00  1.04           H  
ATOM    367  HB3 ALA A  26       7.982   6.607   0.699  1.00  1.01           H  
ATOM    368  N   LEU A  27       4.660   5.896   1.385  1.00  0.24           N  
ATOM    369  CA  LEU A  27       3.336   6.392   0.805  1.00  0.27           C  
ATOM    370  C   LEU A  27       3.609   7.502  -0.254  1.00  0.27           C  
ATOM    371  O   LEU A  27       2.968   7.528  -1.299  1.00  0.29           O  
ATOM    372  CB  LEU A  27       2.419   6.947   1.933  1.00  0.32           C  
ATOM    373  CG  LEU A  27       1.900   5.803   2.863  1.00  0.36           C  
ATOM    374  CD1 LEU A  27       1.300   6.408   4.150  1.00  0.44           C  
ATOM    375  CD2 LEU A  27       0.818   4.955   2.143  1.00  0.49           C  
ATOM    376  H   LEU A  27       4.847   6.037   2.340  1.00  0.26           H  
ATOM    377  HA  LEU A  27       2.840   5.564   0.318  1.00  0.28           H  
ATOM    378  HB2 LEU A  27       2.985   7.656   2.523  1.00  0.34           H  
ATOM    379  HB3 LEU A  27       1.573   7.456   1.490  1.00  0.36           H  
ATOM    380  HG  LEU A  27       2.729   5.163   3.136  1.00  0.42           H  
ATOM    381 HD11 LEU A  27       2.088   6.849   4.739  1.00  1.13           H  
ATOM    382 HD12 LEU A  27       0.816   5.634   4.727  1.00  1.07           H  
ATOM    383 HD13 LEU A  27       0.575   7.169   3.894  1.00  1.15           H  
ATOM    384 HD21 LEU A  27       0.423   4.216   2.826  1.00  1.00           H  
ATOM    385 HD22 LEU A  27       1.256   4.454   1.294  1.00  1.15           H  
ATOM    386 HD23 LEU A  27       0.015   5.597   1.806  1.00  1.26           H  
ATOM    387  N   LYS A  28       4.589   8.385   0.006  1.00  0.28           N  
ATOM    388  CA  LYS A  28       4.979   9.489  -0.968  1.00  0.32           C  
ATOM    389  C   LYS A  28       5.598   8.871  -2.267  1.00  0.29           C  
ATOM    390  O   LYS A  28       5.428   9.425  -3.347  1.00  0.34           O  
ATOM    391  CB  LYS A  28       6.017  10.419  -0.276  1.00  0.40           C  
ATOM    392  CG  LYS A  28       6.275  11.717  -1.094  1.00  1.00           C  
ATOM    393  CD  LYS A  28       7.578  12.414  -0.622  1.00  0.82           C  
ATOM    394  CE  LYS A  28       8.825  11.752  -1.259  1.00  0.77           C  
ATOM    395  NZ  LYS A  28      10.075  12.328  -0.670  1.00  1.41           N  
ATOM    396  H   LYS A  28       5.092   8.301   0.847  1.00  0.29           H  
ATOM    397  HA  LYS A  28       4.098  10.063  -1.227  1.00  0.38           H  
ATOM    398  HB2 LYS A  28       5.643  10.693   0.700  1.00  1.10           H  
ATOM    399  HB3 LYS A  28       6.947   9.879  -0.154  1.00  0.92           H  
ATOM    400  HG2 LYS A  28       6.354  11.480  -2.146  1.00  1.60           H  
ATOM    401  HG3 LYS A  28       5.445  12.393  -0.949  1.00  1.76           H  
ATOM    402  HD2 LYS A  28       7.545  13.454  -0.914  1.00  1.08           H  
ATOM    403  HD3 LYS A  28       7.653  12.353   0.454  1.00  0.84           H  
ATOM    404  HE2 LYS A  28       8.806  10.688  -1.074  1.00  1.18           H  
ATOM    405  HE3 LYS A  28       8.819  11.929  -2.325  1.00  1.18           H  
ATOM    406  HZ1 LYS A  28      10.091  12.156   0.357  1.00  2.00           H  
ATOM    407  HZ2 LYS A  28      10.109  13.353  -0.852  1.00  1.59           H  
ATOM    408  HZ3 LYS A  28      10.902  11.873  -1.105  1.00  2.03           H  
ATOM    409  N   GLU A  29       6.313   7.737  -2.149  1.00  0.23           N  
ATOM    410  CA  GLU A  29       6.968   7.057  -3.345  1.00  0.25           C  
ATOM    411  C   GLU A  29       5.892   6.395  -4.251  1.00  0.26           C  
ATOM    412  O   GLU A  29       5.912   6.593  -5.461  1.00  0.29           O  
ATOM    413  CB  GLU A  29       7.981   5.980  -2.862  1.00  0.27           C  
ATOM    414  CG  GLU A  29       9.148   6.620  -2.057  1.00  0.42           C  
ATOM    415  CD  GLU A  29      10.200   7.236  -3.006  1.00  0.79           C  
ATOM    416  OE1 GLU A  29      11.084   6.511  -3.439  1.00  1.02           O  
ATOM    417  OE2 GLU A  29      10.103   8.423  -3.282  1.00  1.32           O  
ATOM    418  H   GLU A  29       6.426   7.334  -1.260  1.00  0.21           H  
ATOM    419  HA  GLU A  29       7.499   7.804  -3.924  1.00  0.29           H  
ATOM    420  HB2 GLU A  29       7.466   5.273  -2.228  1.00  0.31           H  
ATOM    421  HB3 GLU A  29       8.383   5.455  -3.718  1.00  0.48           H  
ATOM    422  HG2 GLU A  29       8.760   7.390  -1.403  1.00  0.72           H  
ATOM    423  HG3 GLU A  29       9.617   5.858  -1.453  1.00  0.38           H  
ATOM    424  N   VAL A  30       4.950   5.624  -3.669  1.00  0.27           N  
ATOM    425  CA  VAL A  30       3.841   4.943  -4.483  1.00  0.32           C  
ATOM    426  C   VAL A  30       2.896   6.009  -5.128  1.00  0.31           C  
ATOM    427  O   VAL A  30       2.376   5.785  -6.215  1.00  0.35           O  
ATOM    428  CB  VAL A  30       3.014   3.926  -3.615  1.00  0.35           C  
ATOM    429  CG1 VAL A  30       3.917   2.760  -3.157  1.00  0.47           C  
ATOM    430  CG2 VAL A  30       2.378   4.602  -2.371  1.00  0.33           C  
ATOM    431  H   VAL A  30       4.972   5.502  -2.695  1.00  0.26           H  
ATOM    432  HA  VAL A  30       4.313   4.395  -5.290  1.00  0.36           H  
ATOM    433  HB  VAL A  30       2.223   3.516  -4.231  1.00  0.38           H  
ATOM    434 HG11 VAL A  30       4.342   2.271  -4.022  1.00  1.18           H  
ATOM    435 HG12 VAL A  30       3.329   2.045  -2.598  1.00  1.20           H  
ATOM    436 HG13 VAL A  30       4.712   3.138  -2.530  1.00  0.91           H  
ATOM    437 HG21 VAL A  30       1.833   3.864  -1.798  1.00  1.02           H  
ATOM    438 HG22 VAL A  30       1.697   5.378  -2.687  1.00  1.13           H  
ATOM    439 HG23 VAL A  30       3.150   5.032  -1.755  1.00  1.05           H  
ATOM    440  N   ALA A  31       2.704   7.166  -4.467  1.00  0.28           N  
ATOM    441  CA  ALA A  31       1.830   8.279  -5.021  1.00  0.31           C  
ATOM    442  C   ALA A  31       2.595   9.072  -6.123  1.00  0.30           C  
ATOM    443  O   ALA A  31       1.976   9.561  -7.060  1.00  0.39           O  
ATOM    444  CB  ALA A  31       1.426   9.238  -3.883  1.00  0.36           C  
ATOM    445  H   ALA A  31       3.157   7.307  -3.607  1.00  0.27           H  
ATOM    446  HA  ALA A  31       0.935   7.847  -5.451  1.00  0.37           H  
ATOM    447  HB1 ALA A  31       2.310   9.702  -3.467  1.00  0.99           H  
ATOM    448  HB2 ALA A  31       0.917   8.683  -3.110  1.00  1.10           H  
ATOM    449  HB3 ALA A  31       0.765  10.001  -4.269  1.00  1.01           H  
ATOM    450  N   ALA A  32       3.935   9.191  -6.010  1.00  0.27           N  
ATOM    451  CA  ALA A  32       4.775   9.942  -7.036  1.00  0.34           C  
ATOM    452  C   ALA A  32       4.880   9.129  -8.357  1.00  0.37           C  
ATOM    453  O   ALA A  32       4.711   9.690  -9.434  1.00  0.44           O  
ATOM    454  CB  ALA A  32       6.186  10.197  -6.470  1.00  0.39           C  
ATOM    455  H   ALA A  32       4.388   8.780  -5.241  1.00  0.27           H  
ATOM    456  HA  ALA A  32       4.304  10.895  -7.244  1.00  0.36           H  
ATOM    457  HB1 ALA A  32       6.667   9.253  -6.252  1.00  1.06           H  
ATOM    458  HB2 ALA A  32       6.109  10.776  -5.561  1.00  0.99           H  
ATOM    459  HB3 ALA A  32       6.775  10.744  -7.193  1.00  1.20           H  
ATOM    460  N   LYS A  33       5.142   7.811  -8.271  1.00  0.37           N  
ATOM    461  CA  LYS A  33       5.246   6.925  -9.507  1.00  0.45           C  
ATOM    462  C   LYS A  33       3.818   6.669 -10.070  1.00  0.44           C  
ATOM    463  O   LYS A  33       3.594   6.819 -11.266  1.00  0.49           O  
ATOM    464  CB  LYS A  33       5.930   5.583  -9.128  1.00  0.51           C  
ATOM    465  CG  LYS A  33       6.425   4.826 -10.384  1.00  0.71           C  
ATOM    466  CD  LYS A  33       7.072   3.482  -9.971  1.00  1.44           C  
ATOM    467  CE  LYS A  33       7.551   2.698 -11.214  1.00  2.01           C  
ATOM    468  NZ  LYS A  33       8.850   3.249 -11.719  1.00  2.34           N  
ATOM    469  H   LYS A  33       5.258   7.404  -7.383  1.00  0.36           H  
ATOM    470  HA  LYS A  33       5.840   7.435 -10.257  1.00  0.51           H  
ATOM    471  HB2 LYS A  33       6.777   5.792  -8.489  1.00  0.51           H  
ATOM    472  HB3 LYS A  33       5.228   4.961  -8.589  1.00  0.56           H  
ATOM    473  HG2 LYS A  33       5.588   4.634 -11.042  1.00  0.86           H  
ATOM    474  HG3 LYS A  33       7.157   5.430 -10.901  1.00  1.30           H  
ATOM    475  HD2 LYS A  33       7.916   3.674  -9.324  1.00  2.01           H  
ATOM    476  HD3 LYS A  33       6.345   2.886  -9.438  1.00  1.81           H  
ATOM    477  HE2 LYS A  33       7.691   1.662 -10.944  1.00  2.77           H  
ATOM    478  HE3 LYS A  33       6.806   2.761 -11.996  1.00  2.21           H  
ATOM    479  HZ1 LYS A  33       9.564   3.221 -10.961  1.00  2.69           H  
ATOM    480  HZ2 LYS A  33       8.716   4.232 -12.035  1.00  2.59           H  
ATOM    481  HZ3 LYS A  33       9.180   2.673 -12.519  1.00  2.79           H  
ATOM    482  N   ASN A  34       2.865   6.306  -9.197  1.00  0.39           N  
ATOM    483  CA  ASN A  34       1.432   6.053  -9.615  1.00  0.39           C  
ATOM    484  C   ASN A  34       0.561   7.178  -8.982  1.00  0.33           C  
ATOM    485  O   ASN A  34       0.150   7.085  -7.826  1.00  0.35           O  
ATOM    486  CB  ASN A  34       0.973   4.644  -9.137  1.00  0.44           C  
ATOM    487  CG  ASN A  34       1.930   3.542  -9.648  1.00  0.66           C  
ATOM    488  OD1 ASN A  34       1.769   3.041 -10.744  1.00  1.19           O  
ATOM    489  ND2 ASN A  34       2.926   3.138  -8.894  1.00  1.25           N  
ATOM    490  H   ASN A  34       3.097   6.214  -8.246  1.00  0.37           H  
ATOM    491  HA  ASN A  34       1.349   6.109 -10.696  1.00  0.47           H  
ATOM    492  HB2 ASN A  34       0.951   4.621  -8.056  1.00  0.53           H  
ATOM    493  HB3 ASN A  34      -0.021   4.451  -9.514  1.00  0.42           H  
ATOM    494 HD21 ASN A  34       3.068   3.531  -8.006  1.00  1.86           H  
ATOM    495 HD22 ASN A  34       3.531   2.440  -9.221  1.00  1.35           H  
ATOM    496  N   ALA A  35       0.319   8.265  -9.736  1.00  0.41           N  
ATOM    497  CA  ALA A  35      -0.485   9.445  -9.220  1.00  0.46           C  
ATOM    498  C   ALA A  35      -1.932   9.395  -9.792  1.00  0.44           C  
ATOM    499  O   ALA A  35      -2.301  10.162 -10.684  1.00  0.50           O  
ATOM    500  CB  ALA A  35       0.239  10.756  -9.612  1.00  0.65           C  
ATOM    501  H   ALA A  35       0.692   8.309 -10.645  1.00  0.50           H  
ATOM    502  HA  ALA A  35      -0.542   9.394  -8.139  1.00  0.50           H  
ATOM    503  HB1 ALA A  35       1.241  10.748  -9.210  1.00  1.26           H  
ATOM    504  HB2 ALA A  35      -0.301  11.602  -9.210  1.00  0.82           H  
ATOM    505  HB3 ALA A  35       0.285  10.837 -10.689  1.00  1.41           H  
ATOM    506  N   GLY A  36      -2.757   8.475  -9.266  1.00  0.50           N  
ATOM    507  CA  GLY A  36      -4.196   8.311  -9.719  1.00  0.59           C  
ATOM    508  C   GLY A  36      -4.248   7.817 -11.181  1.00  0.57           C  
ATOM    509  O   GLY A  36      -4.689   8.549 -12.060  1.00  0.70           O  
ATOM    510  H   GLY A  36      -2.420   7.884  -8.559  1.00  0.56           H  
ATOM    511  HA2 GLY A  36      -4.689   7.591  -9.082  1.00  0.67           H  
ATOM    512  HA3 GLY A  36      -4.707   9.261  -9.642  1.00  0.67           H  
ATOM    513  N   VAL A  37      -3.780   6.589 -11.433  1.00  0.56           N  
ATOM    514  CA  VAL A  37      -3.756   6.001 -12.837  1.00  0.64           C  
ATOM    515  C   VAL A  37      -4.499   4.633 -12.840  1.00  0.64           C  
ATOM    516  O   VAL A  37      -4.389   3.859 -11.890  1.00  0.57           O  
ATOM    517  CB  VAL A  37      -2.267   5.810 -13.306  1.00  0.69           C  
ATOM    518  CG1 VAL A  37      -2.203   5.385 -14.796  1.00  1.00           C  
ATOM    519  CG2 VAL A  37      -1.465   7.127 -13.130  1.00  0.93           C  
ATOM    520  H   VAL A  37      -3.423   6.050 -10.691  1.00  0.61           H  
ATOM    521  HA  VAL A  37      -4.261   6.674 -13.521  1.00  0.73           H  
ATOM    522  HB  VAL A  37      -1.807   5.037 -12.704  1.00  0.94           H  
ATOM    523 HG11 VAL A  37      -2.664   4.415 -14.916  1.00  1.56           H  
ATOM    524 HG12 VAL A  37      -1.171   5.328 -15.113  1.00  1.27           H  
ATOM    525 HG13 VAL A  37      -2.726   6.109 -15.406  1.00  1.51           H  
ATOM    526 HG21 VAL A  37      -1.405   7.376 -12.080  1.00  1.27           H  
ATOM    527 HG22 VAL A  37      -1.957   7.929 -13.661  1.00  1.28           H  
ATOM    528 HG23 VAL A  37      -0.465   6.998 -13.522  1.00  1.26           H  
ATOM    529  N   GLU A  38      -5.224   4.329 -13.934  1.00  0.79           N  
ATOM    530  CA  GLU A  38      -5.962   3.002 -14.071  1.00  0.87           C  
ATOM    531  C   GLU A  38      -4.924   1.887 -14.358  1.00  0.81           C  
ATOM    532  O   GLU A  38      -3.964   2.106 -15.095  1.00  1.53           O  
ATOM    533  CB  GLU A  38      -7.001   3.066 -15.229  1.00  1.15           C  
ATOM    534  CG  GLU A  38      -8.316   3.753 -14.771  1.00  1.79           C  
ATOM    535  CD  GLU A  38      -8.198   5.289 -14.866  1.00  2.28           C  
ATOM    536  OE1 GLU A  38      -8.447   5.821 -15.938  1.00  2.61           O  
ATOM    537  OE2 GLU A  38      -7.863   5.904 -13.866  1.00  2.90           O  
ATOM    538  H   GLU A  38      -5.257   4.970 -14.679  1.00  0.89           H  
ATOM    539  HA  GLU A  38      -6.470   2.780 -13.138  1.00  0.89           H  
ATOM    540  HB2 GLU A  38      -6.577   3.612 -16.061  1.00  1.51           H  
ATOM    541  HB3 GLU A  38      -7.233   2.061 -15.557  1.00  1.25           H  
ATOM    542  HG2 GLU A  38      -9.124   3.419 -15.407  1.00  2.37           H  
ATOM    543  HG3 GLU A  38      -8.538   3.472 -13.750  1.00  2.13           H  
ATOM    544  N   GLY A  39      -5.094   0.713 -13.744  1.00  0.62           N  
ATOM    545  CA  GLY A  39      -4.116  -0.430 -13.910  1.00  0.50           C  
ATOM    546  C   GLY A  39      -3.254  -0.512 -12.633  1.00  0.41           C  
ATOM    547  O   GLY A  39      -3.096  -1.586 -12.066  1.00  0.43           O  
ATOM    548  H   GLY A  39      -5.860   0.591 -13.140  1.00  1.17           H  
ATOM    549  HA2 GLY A  39      -4.663  -1.353 -14.046  1.00  0.52           H  
ATOM    550  HA3 GLY A  39      -3.476  -0.261 -14.765  1.00  0.59           H  
ATOM    551  N   ALA A  40      -2.727   0.640 -12.164  1.00  0.38           N  
ATOM    552  CA  ALA A  40      -1.895   0.696 -10.895  1.00  0.36           C  
ATOM    553  C   ALA A  40      -2.789   0.355  -9.671  1.00  0.32           C  
ATOM    554  O   ALA A  40      -2.350  -0.350  -8.780  1.00  0.31           O  
ATOM    555  CB  ALA A  40      -1.291   2.103 -10.721  1.00  0.40           C  
ATOM    556  H   ALA A  40      -2.903   1.477 -12.645  1.00  0.40           H  
ATOM    557  HA  ALA A  40      -1.093  -0.029 -10.965  1.00  0.41           H  
ATOM    558  HB1 ALA A  40      -0.691   2.132  -9.822  1.00  0.95           H  
ATOM    559  HB2 ALA A  40      -2.084   2.834 -10.648  1.00  1.01           H  
ATOM    560  HB3 ALA A  40      -0.670   2.334 -11.574  1.00  1.00           H  
ATOM    561  N   ALA A  41      -4.054   0.829  -9.652  1.00  0.34           N  
ATOM    562  CA  ALA A  41      -5.023   0.520  -8.514  1.00  0.37           C  
ATOM    563  C   ALA A  41      -5.297  -1.011  -8.441  1.00  0.35           C  
ATOM    564  O   ALA A  41      -5.414  -1.562  -7.353  1.00  0.38           O  
ATOM    565  CB  ALA A  41      -6.352   1.270  -8.736  1.00  0.43           C  
ATOM    566  H   ALA A  41      -4.370   1.374 -10.407  1.00  0.37           H  
ATOM    567  HA  ALA A  41      -4.584   0.847  -7.580  1.00  0.40           H  
ATOM    568  HB1 ALA A  41      -6.998   1.123  -7.882  1.00  1.03           H  
ATOM    569  HB2 ALA A  41      -6.839   0.894  -9.625  1.00  1.06           H  
ATOM    570  HB3 ALA A  41      -6.155   2.324  -8.858  1.00  1.07           H  
ATOM    571  N   ASP A  42      -5.371  -1.690  -9.603  1.00  0.37           N  
ATOM    572  CA  ASP A  42      -5.604  -3.193  -9.655  1.00  0.42           C  
ATOM    573  C   ASP A  42      -4.295  -3.938  -9.267  1.00  0.36           C  
ATOM    574  O   ASP A  42      -4.351  -4.943  -8.569  1.00  0.35           O  
ATOM    575  CB  ASP A  42      -6.040  -3.618 -11.082  1.00  0.57           C  
ATOM    576  CG  ASP A  42      -7.477  -3.135 -11.373  1.00  1.07           C  
ATOM    577  OD1 ASP A  42      -7.628  -2.007 -11.820  1.00  1.50           O  
ATOM    578  OD2 ASP A  42      -8.401  -3.903 -11.145  1.00  1.39           O  
ATOM    579  H   ASP A  42      -5.252  -1.204 -10.449  1.00  0.40           H  
ATOM    580  HA  ASP A  42      -6.383  -3.457  -8.948  1.00  0.47           H  
ATOM    581  HB2 ASP A  42      -5.362  -3.187 -11.807  1.00  0.91           H  
ATOM    582  HB3 ASP A  42      -6.005  -4.697 -11.164  1.00  0.65           H  
ATOM    583  N   THR A  43      -3.122  -3.433  -9.703  1.00  0.37           N  
ATOM    584  CA  THR A  43      -1.779  -4.075  -9.359  1.00  0.38           C  
ATOM    585  C   THR A  43      -1.483  -3.866  -7.841  1.00  0.32           C  
ATOM    586  O   THR A  43      -0.975  -4.768  -7.190  1.00  0.33           O  
ATOM    587  CB  THR A  43      -0.639  -3.449 -10.226  1.00  0.44           C  
ATOM    588  OG1 THR A  43      -1.023  -3.455 -11.601  1.00  0.52           O  
ATOM    589  CG2 THR A  43       0.674  -4.251 -10.083  1.00  0.46           C  
ATOM    590  H   THR A  43      -3.127  -2.616 -10.251  1.00  0.40           H  
ATOM    591  HA  THR A  43      -1.841  -5.138  -9.563  1.00  0.41           H  
ATOM    592  HB  THR A  43      -0.465  -2.429  -9.909  1.00  0.47           H  
ATOM    593  HG1 THR A  43      -1.354  -2.582 -11.826  1.00  0.66           H  
ATOM    594 HG21 THR A  43       0.500  -5.285 -10.347  1.00  0.94           H  
ATOM    595 HG22 THR A  43       1.025  -4.194  -9.063  1.00  1.02           H  
ATOM    596 HG23 THR A  43       1.424  -3.834 -10.741  1.00  1.16           H  
ATOM    597  N   LEU A  44      -1.825  -2.687  -7.288  1.00  0.28           N  
ATOM    598  CA  LEU A  44      -1.608  -2.384  -5.811  1.00  0.28           C  
ATOM    599  C   LEU A  44      -2.634  -3.191  -4.959  1.00  0.27           C  
ATOM    600  O   LEU A  44      -2.296  -3.659  -3.880  1.00  0.27           O  
ATOM    601  CB  LEU A  44      -1.789  -0.860  -5.535  1.00  0.29           C  
ATOM    602  CG  LEU A  44      -0.691  -0.008  -6.257  1.00  0.45           C  
ATOM    603  CD1 LEU A  44      -1.173   1.450  -6.418  1.00  1.21           C  
ATOM    604  CD2 LEU A  44       0.630  -0.021  -5.457  1.00  0.94           C  
ATOM    605  H   LEU A  44      -2.246  -2.000  -7.851  1.00  0.29           H  
ATOM    606  HA  LEU A  44      -0.605  -2.682  -5.531  1.00  0.32           H  
ATOM    607  HB2 LEU A  44      -2.766  -0.558  -5.891  1.00  0.42           H  
ATOM    608  HB3 LEU A  44      -1.736  -0.681  -4.468  1.00  0.40           H  
ATOM    609  HG  LEU A  44      -0.509  -0.420  -7.240  1.00  1.24           H  
ATOM    610 HD11 LEU A  44      -0.430   2.019  -6.960  1.00  1.87           H  
ATOM    611 HD12 LEU A  44      -1.326   1.895  -5.445  1.00  1.58           H  
ATOM    612 HD13 LEU A  44      -2.103   1.465  -6.969  1.00  1.77           H  
ATOM    613 HD21 LEU A  44       0.478   0.445  -4.493  1.00  1.50           H  
ATOM    614 HD22 LEU A  44       1.388   0.524  -6.002  1.00  1.69           H  
ATOM    615 HD23 LEU A  44       0.958  -1.040  -5.316  1.00  1.37           H  
ATOM    616  N   ALA A  45      -3.876  -3.369  -5.463  1.00  0.26           N  
ATOM    617  CA  ALA A  45      -4.951  -4.161  -4.728  1.00  0.27           C  
ATOM    618  C   ALA A  45      -4.620  -5.681  -4.774  1.00  0.27           C  
ATOM    619  O   ALA A  45      -4.769  -6.371  -3.774  1.00  0.28           O  
ATOM    620  CB  ALA A  45      -6.326  -3.911  -5.380  1.00  0.32           C  
ATOM    621  H   ALA A  45      -4.094  -2.985  -6.341  1.00  0.26           H  
ATOM    622  HA  ALA A  45      -4.986  -3.836  -3.696  1.00  0.28           H  
ATOM    623  HB1 ALA A  45      -6.576  -2.863  -5.296  1.00  1.01           H  
ATOM    624  HB2 ALA A  45      -7.081  -4.499  -4.878  1.00  1.04           H  
ATOM    625  HB3 ALA A  45      -6.289  -4.188  -6.424  1.00  1.14           H  
ATOM    626  N   LEU A  46      -4.147  -6.189  -5.927  1.00  0.28           N  
ATOM    627  CA  LEU A  46      -3.759  -7.658  -6.068  1.00  0.31           C  
ATOM    628  C   LEU A  46      -2.415  -7.920  -5.323  1.00  0.28           C  
ATOM    629  O   LEU A  46      -2.185  -9.025  -4.847  1.00  0.30           O  
ATOM    630  CB  LEU A  46      -3.600  -8.031  -7.572  1.00  0.40           C  
ATOM    631  CG  LEU A  46      -4.986  -8.118  -8.285  1.00  0.48           C  
ATOM    632  CD1 LEU A  46      -4.801  -7.996  -9.814  1.00  0.65           C  
ATOM    633  CD2 LEU A  46      -5.683  -9.464  -7.958  1.00  0.70           C  
ATOM    634  H   LEU A  46      -4.026  -5.592  -6.699  1.00  0.29           H  
ATOM    635  HA  LEU A  46      -4.531  -8.273  -5.624  1.00  0.34           H  
ATOM    636  HB2 LEU A  46      -2.995  -7.273  -8.054  1.00  0.40           H  
ATOM    637  HB3 LEU A  46      -3.095  -8.985  -7.655  1.00  0.47           H  
ATOM    638  HG  LEU A  46      -5.612  -7.302  -7.948  1.00  0.54           H  
ATOM    639 HD11 LEU A  46      -5.766  -8.029 -10.299  1.00  1.24           H  
ATOM    640 HD12 LEU A  46      -4.189  -8.811 -10.176  1.00  1.40           H  
ATOM    641 HD13 LEU A  46      -4.318  -7.057 -10.046  1.00  0.88           H  
ATOM    642 HD21 LEU A  46      -5.855  -9.533  -6.894  1.00  1.35           H  
ATOM    643 HD22 LEU A  46      -5.056 -10.287  -8.274  1.00  1.11           H  
ATOM    644 HD23 LEU A  46      -6.630  -9.516  -8.477  1.00  1.34           H  
ATOM    645  N   ALA A  47      -1.544  -6.898  -5.215  1.00  0.28           N  
ATOM    646  CA  ALA A  47      -0.210  -7.026  -4.495  1.00  0.31           C  
ATOM    647  C   ALA A  47      -0.428  -7.219  -2.966  1.00  0.30           C  
ATOM    648  O   ALA A  47       0.290  -7.987  -2.339  1.00  0.34           O  
ATOM    649  CB  ALA A  47       0.628  -5.753  -4.739  1.00  0.34           C  
ATOM    650  H   ALA A  47      -1.780  -6.029  -5.607  1.00  0.28           H  
ATOM    651  HA  ALA A  47       0.324  -7.881  -4.890  1.00  0.35           H  
ATOM    652  HB1 ALA A  47       1.345  -5.623  -3.944  1.00  0.87           H  
ATOM    653  HB2 ALA A  47      -0.023  -4.891  -4.772  1.00  1.12           H  
ATOM    654  HB3 ALA A  47       1.150  -5.843  -5.681  1.00  1.06           H  
ATOM    655  N   ILE A  48      -1.416  -6.526  -2.377  1.00  0.27           N  
ATOM    656  CA  ILE A  48      -1.715  -6.648  -0.881  1.00  0.29           C  
ATOM    657  C   ILE A  48      -2.511  -7.950  -0.565  1.00  0.28           C  
ATOM    658  O   ILE A  48      -2.461  -8.430   0.562  1.00  0.31           O  
ATOM    659  CB  ILE A  48      -2.473  -5.380  -0.347  1.00  0.31           C  
ATOM    660  CG1 ILE A  48      -3.813  -5.127  -1.119  1.00  0.26           C  
ATOM    661  CG2 ILE A  48      -1.546  -4.149  -0.473  1.00  0.36           C  
ATOM    662  CD1 ILE A  48      -4.668  -4.049  -0.421  1.00  0.31           C  
ATOM    663  H   ILE A  48      -1.965  -5.924  -2.923  1.00  0.25           H  
ATOM    664  HA  ILE A  48      -0.773  -6.719  -0.358  1.00  0.33           H  
ATOM    665  HB  ILE A  48      -2.691  -5.532   0.705  1.00  0.39           H  
ATOM    666 HG12 ILE A  48      -3.595  -4.801  -2.123  1.00  0.22           H  
ATOM    667 HG13 ILE A  48      -4.381  -6.045  -1.163  1.00  0.30           H  
ATOM    668 HG21 ILE A  48      -2.003  -3.300   0.016  1.00  1.05           H  
ATOM    669 HG22 ILE A  48      -1.382  -3.918  -1.516  1.00  1.01           H  
ATOM    670 HG23 ILE A  48      -0.599  -4.365  -0.002  1.00  1.12           H  
ATOM    671 HD11 ILE A  48      -4.287  -3.070  -0.671  1.00  1.03           H  
ATOM    672 HD12 ILE A  48      -4.632  -4.186   0.650  1.00  1.11           H  
ATOM    673 HD13 ILE A  48      -5.689  -4.132  -0.758  1.00  0.98           H  
ATOM    674  N   LYS A  49      -3.224  -8.520  -1.549  1.00  0.27           N  
ATOM    675  CA  LYS A  49      -4.020  -9.796  -1.332  1.00  0.31           C  
ATOM    676  C   LYS A  49      -3.149 -11.047  -1.646  1.00  0.32           C  
ATOM    677  O   LYS A  49      -3.340 -12.085  -1.021  1.00  0.40           O  
ATOM    678  CB  LYS A  49      -5.276  -9.793  -2.241  1.00  0.38           C  
ATOM    679  CG  LYS A  49      -6.289  -8.723  -1.758  1.00  0.50           C  
ATOM    680  CD  LYS A  49      -7.645  -8.866  -2.494  1.00  0.96           C  
ATOM    681  CE  LYS A  49      -8.524  -9.940  -1.815  1.00  0.78           C  
ATOM    682  NZ  LYS A  49      -9.854 -10.023  -2.490  1.00  1.27           N  
ATOM    683  H   LYS A  49      -3.232  -8.109  -2.441  1.00  0.27           H  
ATOM    684  HA  LYS A  49      -4.337  -9.847  -0.296  1.00  0.34           H  
ATOM    685  HB2 LYS A  49      -4.981  -9.573  -3.259  1.00  0.36           H  
ATOM    686  HB3 LYS A  49      -5.745 -10.768  -2.209  1.00  0.47           H  
ATOM    687  HG2 LYS A  49      -6.444  -8.831  -0.693  1.00  0.94           H  
ATOM    688  HG3 LYS A  49      -5.884  -7.741  -1.955  1.00  1.04           H  
ATOM    689  HD2 LYS A  49      -8.162  -7.917  -2.464  1.00  1.70           H  
ATOM    690  HD3 LYS A  49      -7.475  -9.143  -3.525  1.00  1.61           H  
ATOM    691  HE2 LYS A  49      -8.034 -10.901  -1.881  1.00  1.05           H  
ATOM    692  HE3 LYS A  49      -8.668  -9.684  -0.775  1.00  1.31           H  
ATOM    693  HZ1 LYS A  49      -9.727 -10.287  -3.489  1.00  1.75           H  
ATOM    694  HZ2 LYS A  49     -10.334  -9.100  -2.432  1.00  1.76           H  
ATOM    695  HZ3 LYS A  49     -10.436 -10.743  -2.018  1.00  1.85           H  
ATOM    696  N   ASN A  50      -2.208 -10.956  -2.608  1.00  0.31           N  
ATOM    697  CA  ASN A  50      -1.318 -12.131  -2.987  1.00  0.36           C  
ATOM    698  C   ASN A  50       0.135 -11.880  -2.497  1.00  0.34           C  
ATOM    699  O   ASN A  50       0.664 -12.676  -1.728  1.00  0.44           O  
ATOM    700  CB  ASN A  50      -1.325 -12.325  -4.527  1.00  0.45           C  
ATOM    701  CG  ASN A  50      -2.727 -12.753  -5.013  1.00  1.04           C  
ATOM    702  OD1 ASN A  50      -3.044 -13.928  -5.025  1.00  1.63           O  
ATOM    703  ND2 ASN A  50      -3.585 -11.847  -5.417  1.00  1.44           N  
ATOM    704  H   ASN A  50      -2.093 -10.107  -3.090  1.00  0.33           H  
ATOM    705  HA  ASN A  50      -1.692 -13.035  -2.518  1.00  0.38           H  
ATOM    706  HB2 ASN A  50      -1.050 -11.396  -5.006  1.00  0.94           H  
ATOM    707  HB3 ASN A  50      -0.608 -13.089  -4.797  1.00  1.13           H  
ATOM    708 HD21 ASN A  50      -3.342 -10.895  -5.414  1.00  1.18           H  
ATOM    709 HD22 ASN A  50      -4.474 -12.121  -5.725  1.00  2.14           H  
ATOM    710  N   GLY A  51       0.775 -10.787  -2.945  1.00  0.32           N  
ATOM    711  CA  GLY A  51       2.200 -10.457  -2.531  1.00  0.31           C  
ATOM    712  C   GLY A  51       3.008  -9.910  -3.735  1.00  0.33           C  
ATOM    713  O   GLY A  51       2.763 -10.295  -4.875  1.00  0.44           O  
ATOM    714  H   GLY A  51       0.311 -10.179  -3.563  1.00  0.37           H  
ATOM    715  HA2 GLY A  51       2.175  -9.711  -1.749  1.00  0.29           H  
ATOM    716  HA3 GLY A  51       2.690 -11.346  -2.156  1.00  0.34           H  
ATOM    717  N   SER A  52       3.978  -9.020  -3.472  1.00  0.37           N  
ATOM    718  CA  SER A  52       4.847  -8.413  -4.566  1.00  0.37           C  
ATOM    719  C   SER A  52       6.265  -9.037  -4.528  1.00  0.41           C  
ATOM    720  O   SER A  52       6.805  -9.294  -3.453  1.00  0.43           O  
ATOM    721  CB  SER A  52       4.959  -6.893  -4.357  1.00  0.37           C  
ATOM    722  OG  SER A  52       3.687  -6.290  -4.545  1.00  0.38           O  
ATOM    723  H   SER A  52       4.140  -8.751  -2.539  1.00  0.47           H  
ATOM    724  HA  SER A  52       4.401  -8.605  -5.535  1.00  0.38           H  
ATOM    725  HB2 SER A  52       5.302  -6.689  -3.356  1.00  0.37           H  
ATOM    726  HB3 SER A  52       5.667  -6.483  -5.065  1.00  0.39           H  
ATOM    727  HG  SER A  52       3.327  -6.085  -3.679  1.00  0.40           H  
ATOM    728  N   GLN A  53       6.864  -9.273  -5.707  1.00  0.44           N  
ATOM    729  CA  GLN A  53       8.252  -9.880  -5.804  1.00  0.50           C  
ATOM    730  C   GLN A  53       9.108  -9.071  -6.828  1.00  0.48           C  
ATOM    731  O   GLN A  53       8.955  -9.227  -8.040  1.00  0.68           O  
ATOM    732  CB  GLN A  53       8.142 -11.368  -6.261  1.00  0.61           C  
ATOM    733  CG  GLN A  53       7.550 -12.281  -5.149  1.00  1.29           C  
ATOM    734  CD  GLN A  53       8.654 -12.828  -4.206  1.00  1.87           C  
ATOM    735  OE1 GLN A  53       9.653 -13.365  -4.653  1.00  2.39           O  
ATOM    736  NE2 GLN A  53       8.504 -12.738  -2.908  1.00  2.48           N  
ATOM    737  H   GLN A  53       6.390  -9.048  -6.539  1.00  0.43           H  
ATOM    738  HA  GLN A  53       8.737  -9.841  -4.836  1.00  0.54           H  
ATOM    739  HB2 GLN A  53       7.499 -11.419  -7.129  1.00  0.92           H  
ATOM    740  HB3 GLN A  53       9.124 -11.730  -6.537  1.00  1.02           H  
ATOM    741  HG2 GLN A  53       6.829 -11.727  -4.567  1.00  1.86           H  
ATOM    742  HG3 GLN A  53       7.049 -13.116  -5.617  1.00  1.82           H  
ATOM    743 HE21 GLN A  53       7.698 -12.327  -2.527  1.00  2.58           H  
ATOM    744 HE22 GLN A  53       9.201 -13.086  -2.313  1.00  3.13           H  
ATOM    745  N   GLY A  54      10.017  -8.215  -6.335  1.00  0.44           N  
ATOM    746  CA  GLY A  54      10.930  -7.392  -7.224  1.00  0.46           C  
ATOM    747  C   GLY A  54      10.160  -6.291  -7.995  1.00  0.41           C  
ATOM    748  O   GLY A  54       9.871  -6.455  -9.175  1.00  0.48           O  
ATOM    749  H   GLY A  54      10.113  -8.128  -5.361  1.00  0.55           H  
ATOM    750  HA2 GLY A  54      11.685  -6.925  -6.609  1.00  0.51           H  
ATOM    751  HA3 GLY A  54      11.416  -8.047  -7.934  1.00  0.52           H  
ATOM    752  N   VAL A  55       9.858  -5.167  -7.333  1.00  0.32           N  
ATOM    753  CA  VAL A  55       9.126  -3.997  -7.999  1.00  0.31           C  
ATOM    754  C   VAL A  55       9.649  -2.639  -7.437  1.00  0.29           C  
ATOM    755  O   VAL A  55       9.854  -1.705  -8.205  1.00  0.40           O  
ATOM    756  CB  VAL A  55       7.564  -4.095  -7.825  1.00  0.28           C  
ATOM    757  CG1 VAL A  55       6.971  -5.081  -8.854  1.00  0.37           C  
ATOM    758  CG2 VAL A  55       7.165  -4.547  -6.398  1.00  0.27           C  
ATOM    759  H   VAL A  55      10.129  -5.086  -6.394  1.00  0.32           H  
ATOM    760  HA  VAL A  55       9.356  -4.017  -9.061  1.00  0.36           H  
ATOM    761  HB  VAL A  55       7.133  -3.119  -8.014  1.00  0.27           H  
ATOM    762 HG11 VAL A  55       7.343  -6.079  -8.664  1.00  1.01           H  
ATOM    763 HG12 VAL A  55       7.255  -4.777  -9.852  1.00  1.06           H  
ATOM    764 HG13 VAL A  55       5.893  -5.080  -8.776  1.00  0.97           H  
ATOM    765 HG21 VAL A  55       7.523  -5.552  -6.218  1.00  1.04           H  
ATOM    766 HG22 VAL A  55       6.089  -4.529  -6.303  1.00  1.07           H  
ATOM    767 HG23 VAL A  55       7.595  -3.878  -5.673  1.00  1.04           H  
ATOM    768  N   TRP A  56       9.858  -2.530  -6.112  1.00  0.25           N  
ATOM    769  CA  TRP A  56      10.362  -1.251  -5.467  1.00  0.28           C  
ATOM    770  C   TRP A  56      11.758  -1.492  -4.836  1.00  0.37           C  
ATOM    771  O   TRP A  56      12.686  -0.736  -5.103  1.00  0.59           O  
ATOM    772  CB  TRP A  56       9.367  -0.801  -4.368  1.00  0.31           C  
ATOM    773  CG  TRP A  56       8.119  -0.228  -4.989  1.00  0.30           C  
ATOM    774  CD1 TRP A  56       6.987  -0.922  -5.266  1.00  0.34           C  
ATOM    775  CD2 TRP A  56       7.862   1.147  -5.401  1.00  0.31           C  
ATOM    776  NE1 TRP A  56       6.060  -0.062  -5.819  1.00  0.38           N  
ATOM    777  CE2 TRP A  56       6.550   1.222  -5.922  1.00  0.36           C  
ATOM    778  CE3 TRP A  56       8.634   2.323  -5.371  1.00  0.33           C  
ATOM    779  CZ2 TRP A  56       6.023   2.421  -6.396  1.00  0.41           C  
ATOM    780  CZ3 TRP A  56       8.105   3.530  -5.846  1.00  0.38           C  
ATOM    781  CH2 TRP A  56       6.803   3.577  -6.356  1.00  0.41           C  
ATOM    782  H   TRP A  56       9.676  -3.300  -5.534  1.00  0.28           H  
ATOM    783  HA  TRP A  56      10.446  -0.470  -6.215  1.00  0.30           H  
ATOM    784  HB2 TRP A  56       9.105  -1.650  -3.751  1.00  0.33           H  
ATOM    785  HB3 TRP A  56       9.832  -0.045  -3.748  1.00  0.34           H  
ATOM    786  HD1 TRP A  56       6.835  -1.973  -5.083  1.00  0.37           H  
ATOM    787  HE1 TRP A  56       5.158  -0.314  -6.108  1.00  0.43           H  
ATOM    788  HE3 TRP A  56       9.640   2.296  -4.979  1.00  0.33           H  
ATOM    789  HZ2 TRP A  56       5.018   2.455  -6.789  1.00  0.47           H  
ATOM    790  HZ3 TRP A  56       8.704   4.427  -5.818  1.00  0.41           H  
ATOM    791  HH2 TRP A  56       6.401   4.507  -6.715  1.00  0.47           H  
ATOM    792  N   GLY A  57      11.900  -2.529  -3.991  1.00  0.57           N  
ATOM    793  CA  GLY A  57      13.220  -2.836  -3.309  1.00  0.80           C  
ATOM    794  C   GLY A  57      13.509  -4.368  -3.273  1.00  0.54           C  
ATOM    795  O   GLY A  57      12.782  -5.138  -3.896  1.00  0.77           O  
ATOM    796  H   GLY A  57      11.124  -3.100  -3.796  1.00  0.77           H  
ATOM    797  HA2 GLY A  57      14.027  -2.342  -3.834  1.00  1.05           H  
ATOM    798  HA3 GLY A  57      13.180  -2.463  -2.296  1.00  1.14           H  
ATOM    799  N   PRO A  58      14.581  -4.776  -2.542  1.00  0.58           N  
ATOM    800  CA  PRO A  58      14.989  -6.215  -2.418  1.00  0.83           C  
ATOM    801  C   PRO A  58      14.083  -7.016  -1.430  1.00  0.69           C  
ATOM    802  O   PRO A  58      13.990  -8.234  -1.550  1.00  0.89           O  
ATOM    803  CB  PRO A  58      16.440  -6.134  -1.900  1.00  1.25           C  
ATOM    804  CG  PRO A  58      16.592  -4.758  -1.213  1.00  1.29           C  
ATOM    805  CD  PRO A  58      15.485  -3.853  -1.780  1.00  0.90           C  
ATOM    806  HA  PRO A  58      14.985  -6.687  -3.389  1.00  1.03           H  
ATOM    807  HB2 PRO A  58      16.640  -6.930  -1.192  1.00  1.46           H  
ATOM    808  HB3 PRO A  58      17.129  -6.199  -2.728  1.00  1.47           H  
ATOM    809  HG2 PRO A  58      16.474  -4.866  -0.143  1.00  1.47           H  
ATOM    810  HG3 PRO A  58      17.559  -4.336  -1.439  1.00  1.55           H  
ATOM    811  HD2 PRO A  58      14.946  -3.373  -0.974  1.00  1.06           H  
ATOM    812  HD3 PRO A  58      15.908  -3.116  -2.445  1.00  0.89           H  
ATOM    813  N   ILE A  59      13.433  -6.347  -0.460  1.00  0.49           N  
ATOM    814  CA  ILE A  59      12.542  -7.060   0.550  1.00  0.42           C  
ATOM    815  C   ILE A  59      11.144  -7.368  -0.109  1.00  0.43           C  
ATOM    816  O   ILE A  59      10.543  -6.450  -0.651  1.00  0.44           O  
ATOM    817  CB  ILE A  59      12.346  -6.165   1.837  1.00  0.42           C  
ATOM    818  CG1 ILE A  59      13.719  -5.665   2.423  1.00  0.55           C  
ATOM    819  CG2 ILE A  59      11.549  -6.926   2.935  1.00  0.49           C  
ATOM    820  CD1 ILE A  59      14.673  -6.821   2.812  1.00  1.00           C  
ATOM    821  H   ILE A  59      13.537  -5.374  -0.394  1.00  0.56           H  
ATOM    822  HA  ILE A  59      13.025  -7.981   0.838  1.00  0.47           H  
ATOM    823  HB  ILE A  59      11.765  -5.296   1.552  1.00  0.42           H  
ATOM    824 HG12 ILE A  59      14.210  -5.047   1.687  1.00  1.21           H  
ATOM    825 HG13 ILE A  59      13.524  -5.063   3.300  1.00  1.17           H  
ATOM    826 HG21 ILE A  59      11.508  -6.327   3.834  1.00  1.11           H  
ATOM    827 HG22 ILE A  59      12.034  -7.867   3.153  1.00  1.08           H  
ATOM    828 HG23 ILE A  59      10.544  -7.115   2.587  1.00  1.10           H  
ATOM    829 HD11 ILE A  59      14.182  -7.482   3.512  1.00  1.73           H  
ATOM    830 HD12 ILE A  59      15.560  -6.412   3.272  1.00  1.60           H  
ATOM    831 HD13 ILE A  59      14.953  -7.375   1.928  1.00  1.43           H  
ATOM    832  N   PRO A  60      10.649  -8.638  -0.040  1.00  0.49           N  
ATOM    833  CA  PRO A  60       9.309  -9.020  -0.600  1.00  0.54           C  
ATOM    834  C   PRO A  60       8.176  -8.770   0.449  1.00  0.46           C  
ATOM    835  O   PRO A  60       8.456  -8.621   1.638  1.00  0.52           O  
ATOM    836  CB  PRO A  60       9.461 -10.526  -0.871  1.00  0.67           C  
ATOM    837  CG  PRO A  60      10.575 -11.042   0.073  1.00  0.68           C  
ATOM    838  CD  PRO A  60      11.369  -9.812   0.550  1.00  0.56           C  
ATOM    839  HA  PRO A  60       9.107  -8.494  -1.521  1.00  0.58           H  
ATOM    840  HB2 PRO A  60       8.532 -11.048  -0.676  1.00  0.71           H  
ATOM    841  HB3 PRO A  60       9.761 -10.682  -1.895  1.00  0.76           H  
ATOM    842  HG2 PRO A  60      10.133 -11.550   0.919  1.00  0.69           H  
ATOM    843  HG3 PRO A  60      11.230 -11.714  -0.460  1.00  0.78           H  
ATOM    844  HD2 PRO A  60      11.365  -9.758   1.631  1.00  0.54           H  
ATOM    845  HD3 PRO A  60      12.380  -9.858   0.176  1.00  0.60           H  
ATOM    846  N   MET A  61       6.903  -8.762   0.014  1.00  0.36           N  
ATOM    847  CA  MET A  61       5.731  -8.565   0.965  1.00  0.30           C  
ATOM    848  C   MET A  61       4.783  -9.817   0.893  1.00  0.33           C  
ATOM    849  O   MET A  61       4.414 -10.214  -0.210  1.00  0.35           O  
ATOM    850  CB  MET A  61       4.932  -7.282   0.589  1.00  0.24           C  
ATOM    851  CG  MET A  61       3.929  -6.914   1.727  1.00  0.19           C  
ATOM    852  SD  MET A  61       2.775  -5.590   1.232  1.00  0.19           S  
ATOM    853  CE  MET A  61       1.875  -6.445  -0.088  1.00  0.30           C  
ATOM    854  H   MET A  61       6.719  -8.910  -0.940  1.00  0.38           H  
ATOM    855  HA  MET A  61       6.114  -8.454   1.969  1.00  0.30           H  
ATOM    856  HB2 MET A  61       5.622  -6.468   0.441  1.00  0.27           H  
ATOM    857  HB3 MET A  61       4.393  -7.457  -0.327  1.00  0.25           H  
ATOM    858  HG2 MET A  61       3.349  -7.786   1.987  1.00  0.22           H  
ATOM    859  HG3 MET A  61       4.481  -6.599   2.592  1.00  0.21           H  
ATOM    860  HE1 MET A  61       1.101  -5.794  -0.465  1.00  0.80           H  
ATOM    861  HE2 MET A  61       1.429  -7.346   0.301  1.00  0.90           H  
ATOM    862  HE3 MET A  61       2.555  -6.697  -0.888  1.00  1.00           H  
ATOM    863  N   PRO A  62       4.378 -10.392   2.064  1.00  0.33           N  
ATOM    864  CA  PRO A  62       3.441 -11.566   2.110  1.00  0.36           C  
ATOM    865  C   PRO A  62       1.955 -11.097   1.887  1.00  0.29           C  
ATOM    866  O   PRO A  62       1.709  -9.892   1.870  1.00  0.25           O  
ATOM    867  CB  PRO A  62       3.651 -12.130   3.534  1.00  0.41           C  
ATOM    868  CG  PRO A  62       4.207 -10.979   4.397  1.00  0.41           C  
ATOM    869  CD  PRO A  62       4.812  -9.950   3.431  1.00  0.35           C  
ATOM    870  HA  PRO A  62       3.721 -12.305   1.375  1.00  0.40           H  
ATOM    871  HB2 PRO A  62       2.716 -12.484   3.948  1.00  0.41           H  
ATOM    872  HB3 PRO A  62       4.368 -12.937   3.506  1.00  0.48           H  
ATOM    873  HG2 PRO A  62       3.407 -10.528   4.969  1.00  0.39           H  
ATOM    874  HG3 PRO A  62       4.973 -11.350   5.061  1.00  0.48           H  
ATOM    875  HD2 PRO A  62       4.430  -8.963   3.651  1.00  0.30           H  
ATOM    876  HD3 PRO A  62       5.889  -9.964   3.501  1.00  0.39           H  
ATOM    877  N   PRO A  63       0.987 -12.048   1.736  1.00  0.28           N  
ATOM    878  CA  PRO A  63      -0.453 -11.696   1.536  1.00  0.23           C  
ATOM    879  C   PRO A  63      -1.062 -11.146   2.863  1.00  0.23           C  
ATOM    880  O   PRO A  63      -1.220 -11.880   3.837  1.00  0.36           O  
ATOM    881  CB  PRO A  63      -1.100 -13.019   1.072  1.00  0.25           C  
ATOM    882  CG  PRO A  63      -0.169 -14.154   1.551  1.00  0.30           C  
ATOM    883  CD  PRO A  63       1.225 -13.528   1.750  1.00  0.34           C  
ATOM    884  HA  PRO A  63      -0.546 -10.957   0.752  1.00  0.22           H  
ATOM    885  HB2 PRO A  63      -2.085 -13.135   1.506  1.00  0.24           H  
ATOM    886  HB3 PRO A  63      -1.167 -13.039  -0.004  1.00  0.27           H  
ATOM    887  HG2 PRO A  63      -0.533 -14.559   2.486  1.00  0.31           H  
ATOM    888  HG3 PRO A  63      -0.117 -14.931   0.804  1.00  0.33           H  
ATOM    889  HD2 PRO A  63       1.638 -13.842   2.697  1.00  0.37           H  
ATOM    890  HD3 PRO A  63       1.881 -13.807   0.940  1.00  0.38           H  
ATOM    891  N   ASN A  64      -1.370  -9.843   2.892  1.00  0.17           N  
ATOM    892  CA  ASN A  64      -1.946  -9.167   4.130  1.00  0.21           C  
ATOM    893  C   ASN A  64      -3.488  -9.411   4.230  1.00  0.22           C  
ATOM    894  O   ASN A  64      -4.120  -9.669   3.208  1.00  0.21           O  
ATOM    895  CB  ASN A  64      -1.674  -7.640   4.057  1.00  0.24           C  
ATOM    896  CG  ASN A  64      -0.195  -7.339   4.381  1.00  0.29           C  
ATOM    897  OD1 ASN A  64       0.148  -7.081   5.519  1.00  0.46           O  
ATOM    898  ND2 ASN A  64       0.702  -7.356   3.425  1.00  0.25           N  
ATOM    899  H   ASN A  64      -1.205  -9.296   2.090  1.00  0.20           H  
ATOM    900  HA  ASN A  64      -1.462  -9.576   5.007  1.00  0.29           H  
ATOM    901  HB2 ASN A  64      -1.901  -7.283   3.062  1.00  0.24           H  
ATOM    902  HB3 ASN A  64      -2.304  -7.124   4.769  1.00  0.30           H  
ATOM    903 HD21 ASN A  64       0.441  -7.559   2.500  1.00  0.31           H  
ATOM    904 HD22 ASN A  64       1.640  -7.167   3.636  1.00  0.28           H  
ATOM    905  N   PRO A  65      -4.072  -9.303   5.462  1.00  0.30           N  
ATOM    906  CA  PRO A  65      -5.537  -9.496   5.675  1.00  0.37           C  
ATOM    907  C   PRO A  65      -6.313  -8.245   5.164  1.00  0.32           C  
ATOM    908  O   PRO A  65      -6.364  -7.215   5.834  1.00  0.31           O  
ATOM    909  CB  PRO A  65      -5.665  -9.701   7.202  1.00  0.48           C  
ATOM    910  CG  PRO A  65      -4.412  -9.058   7.838  1.00  0.48           C  
ATOM    911  CD  PRO A  65      -3.341  -8.986   6.734  1.00  0.39           C  
ATOM    912  HA  PRO A  65      -5.877 -10.384   5.160  1.00  0.39           H  
ATOM    913  HB2 PRO A  65      -6.562  -9.224   7.578  1.00  0.52           H  
ATOM    914  HB3 PRO A  65      -5.684 -10.755   7.432  1.00  0.54           H  
ATOM    915  HG2 PRO A  65      -4.648  -8.064   8.194  1.00  0.49           H  
ATOM    916  HG3 PRO A  65      -4.054  -9.669   8.653  1.00  0.57           H  
ATOM    917  HD2 PRO A  65      -2.916  -7.993   6.692  1.00  0.38           H  
ATOM    918  HD3 PRO A  65      -2.571  -9.720   6.913  1.00  0.42           H  
ATOM    919  N   VAL A  66      -6.882  -8.337   3.956  1.00  0.39           N  
ATOM    920  CA  VAL A  66      -7.642  -7.180   3.332  1.00  0.36           C  
ATOM    921  C   VAL A  66      -8.750  -7.729   2.375  1.00  0.38           C  
ATOM    922  O   VAL A  66      -8.494  -8.619   1.568  1.00  0.43           O  
ATOM    923  CB  VAL A  66      -6.623  -6.232   2.596  1.00  0.34           C  
ATOM    924  CG1 VAL A  66      -5.946  -6.924   1.385  1.00  0.36           C  
ATOM    925  CG2 VAL A  66      -7.321  -4.927   2.140  1.00  0.38           C  
ATOM    926  H   VAL A  66      -6.790  -9.173   3.445  1.00  0.50           H  
ATOM    927  HA  VAL A  66      -8.126  -6.620   4.126  1.00  0.36           H  
ATOM    928  HB  VAL A  66      -5.847  -5.969   3.303  1.00  0.35           H  
ATOM    929 HG11 VAL A  66      -6.632  -6.958   0.551  1.00  0.86           H  
ATOM    930 HG12 VAL A  66      -5.659  -7.931   1.653  1.00  0.95           H  
ATOM    931 HG13 VAL A  66      -5.065  -6.370   1.104  1.00  1.17           H  
ATOM    932 HG21 VAL A  66      -7.767  -4.441   2.995  1.00  1.10           H  
ATOM    933 HG22 VAL A  66      -8.090  -5.155   1.415  1.00  0.99           H  
ATOM    934 HG23 VAL A  66      -6.594  -4.264   1.694  1.00  1.07           H  
ATOM    935  N   THR A  67      -9.971  -7.192   2.482  1.00  0.41           N  
ATOM    936  CA  THR A  67     -11.143  -7.640   1.611  1.00  0.48           C  
ATOM    937  C   THR A  67     -11.201  -6.792   0.299  1.00  0.40           C  
ATOM    938  O   THR A  67     -10.350  -5.937   0.070  1.00  0.34           O  
ATOM    939  CB  THR A  67     -12.477  -7.506   2.419  1.00  0.60           C  
ATOM    940  OG1 THR A  67     -12.593  -6.193   2.973  1.00  0.61           O  
ATOM    941  CG2 THR A  67     -12.520  -8.543   3.559  1.00  0.97           C  
ATOM    942  H   THR A  67     -10.124  -6.482   3.146  1.00  0.43           H  
ATOM    943  HA  THR A  67     -11.002  -8.680   1.337  1.00  0.54           H  
ATOM    944  HB  THR A  67     -13.314  -7.686   1.759  1.00  0.68           H  
ATOM    945  HG1 THR A  67     -13.526  -5.968   3.024  1.00  0.99           H  
ATOM    946 HG21 THR A  67     -12.435  -9.539   3.147  1.00  1.61           H  
ATOM    947 HG22 THR A  67     -13.458  -8.456   4.089  1.00  1.40           H  
ATOM    948 HG23 THR A  67     -11.704  -8.365   4.245  1.00  1.37           H  
ATOM    949  N   GLU A  68     -12.205  -7.042  -0.566  1.00  0.46           N  
ATOM    950  CA  GLU A  68     -12.359  -6.282  -1.882  1.00  0.46           C  
ATOM    951  C   GLU A  68     -12.680  -4.783  -1.617  1.00  0.42           C  
ATOM    952  O   GLU A  68     -12.089  -3.914  -2.248  1.00  0.39           O  
ATOM    953  CB  GLU A  68     -13.501  -6.910  -2.734  1.00  0.61           C  
ATOM    954  CG  GLU A  68     -13.102  -8.311  -3.272  1.00  0.83           C  
ATOM    955  CD  GLU A  68     -12.194  -8.184  -4.516  1.00  1.37           C  
ATOM    956  OE1 GLU A  68     -10.987  -8.103  -4.344  1.00  1.97           O  
ATOM    957  OE2 GLU A  68     -12.723  -8.169  -5.617  1.00  1.80           O  
ATOM    958  H   GLU A  68     -12.859  -7.742  -0.346  1.00  0.54           H  
ATOM    959  HA  GLU A  68     -11.429  -6.348  -2.433  1.00  0.43           H  
ATOM    960  HB2 GLU A  68     -14.384  -7.011  -2.119  1.00  0.70           H  
ATOM    961  HB3 GLU A  68     -13.728  -6.258  -3.569  1.00  0.82           H  
ATOM    962  HG2 GLU A  68     -12.582  -8.862  -2.500  1.00  1.48           H  
ATOM    963  HG3 GLU A  68     -13.999  -8.850  -3.541  1.00  1.11           H  
ATOM    964  N   GLU A  69     -13.605  -4.486  -0.684  1.00  0.49           N  
ATOM    965  CA  GLU A  69     -13.980  -3.042  -0.350  1.00  0.50           C  
ATOM    966  C   GLU A  69     -12.793  -2.305   0.341  1.00  0.45           C  
ATOM    967  O   GLU A  69     -12.582  -1.123   0.093  1.00  0.47           O  
ATOM    968  CB  GLU A  69     -15.263  -2.975   0.540  1.00  0.59           C  
ATOM    969  CG  GLU A  69     -15.125  -3.782   1.863  1.00  0.69           C  
ATOM    970  CD  GLU A  69     -16.327  -3.496   2.785  1.00  0.93           C  
ATOM    971  OE1 GLU A  69     -17.369  -4.100   2.582  1.00  1.10           O  
ATOM    972  OE2 GLU A  69     -16.183  -2.679   3.682  1.00  1.11           O  
ATOM    973  H   GLU A  69     -14.049  -5.218  -0.203  1.00  0.56           H  
ATOM    974  HA  GLU A  69     -14.192  -2.531  -1.283  1.00  0.52           H  
ATOM    975  HB2 GLU A  69     -15.469  -1.940   0.778  1.00  0.59           H  
ATOM    976  HB3 GLU A  69     -16.095  -3.371  -0.027  1.00  0.71           H  
ATOM    977  HG2 GLU A  69     -15.093  -4.838   1.637  1.00  0.76           H  
ATOM    978  HG3 GLU A  69     -14.215  -3.500   2.370  1.00  0.65           H  
ATOM    979  N   GLU A  70     -12.013  -3.008   1.185  1.00  0.45           N  
ATOM    980  CA  GLU A  70     -10.818  -2.383   1.889  1.00  0.43           C  
ATOM    981  C   GLU A  70      -9.669  -2.171   0.868  1.00  0.38           C  
ATOM    982  O   GLU A  70      -8.987  -1.160   0.924  1.00  0.42           O  
ATOM    983  CB  GLU A  70     -10.322  -3.296   3.039  1.00  0.45           C  
ATOM    984  CG  GLU A  70     -11.354  -3.340   4.188  1.00  0.65           C  
ATOM    985  CD  GLU A  70     -10.794  -4.153   5.374  1.00  0.76           C  
ATOM    986  OE1 GLU A  70     -10.809  -5.374   5.298  1.00  1.23           O  
ATOM    987  OE2 GLU A  70     -10.360  -3.540   6.338  1.00  0.87           O  
ATOM    988  H   GLU A  70     -12.211  -3.958   1.342  1.00  0.48           H  
ATOM    989  HA  GLU A  70     -11.109  -1.421   2.296  1.00  0.47           H  
ATOM    990  HB2 GLU A  70     -10.169  -4.296   2.658  1.00  0.74           H  
ATOM    991  HB3 GLU A  70      -9.384  -2.912   3.420  1.00  0.66           H  
ATOM    992  HG2 GLU A  70     -11.573  -2.331   4.513  1.00  1.02           H  
ATOM    993  HG3 GLU A  70     -12.264  -3.804   3.836  1.00  0.94           H  
ATOM    994  N   ALA A  71      -9.475  -3.118  -0.073  1.00  0.37           N  
ATOM    995  CA  ALA A  71      -8.391  -3.000  -1.135  1.00  0.40           C  
ATOM    996  C   ALA A  71      -8.688  -1.811  -2.096  1.00  0.40           C  
ATOM    997  O   ALA A  71      -7.761  -1.175  -2.578  1.00  0.41           O  
ATOM    998  CB  ALA A  71      -8.305  -4.309  -1.943  1.00  0.47           C  
ATOM    999  H   ALA A  71     -10.062  -3.907  -0.083  1.00  0.39           H  
ATOM   1000  HA  ALA A  71      -7.442  -2.826  -0.646  1.00  0.41           H  
ATOM   1001  HB1 ALA A  71      -8.122  -5.134  -1.270  1.00  0.87           H  
ATOM   1002  HB2 ALA A  71      -7.496  -4.244  -2.656  1.00  0.90           H  
ATOM   1003  HB3 ALA A  71      -9.236  -4.476  -2.469  1.00  1.07           H  
ATOM   1004  N   LYS A  72      -9.975  -1.504  -2.354  1.00  0.41           N  
ATOM   1005  CA  LYS A  72     -10.367  -0.343  -3.261  1.00  0.46           C  
ATOM   1006  C   LYS A  72     -10.123   1.005  -2.524  1.00  0.43           C  
ATOM   1007  O   LYS A  72      -9.632   1.951  -3.128  1.00  0.49           O  
ATOM   1008  CB  LYS A  72     -11.865  -0.451  -3.652  1.00  0.50           C  
ATOM   1009  CG  LYS A  72     -12.070  -1.558  -4.711  1.00  0.88           C  
ATOM   1010  CD  LYS A  72     -13.574  -1.714  -5.031  1.00  1.29           C  
ATOM   1011  CE  LYS A  72     -13.792  -2.765  -6.143  1.00  2.10           C  
ATOM   1012  NZ  LYS A  72     -13.498  -2.176  -7.491  1.00  2.81           N  
ATOM   1013  H   LYS A  72     -10.687  -2.034  -1.933  1.00  0.41           H  
ATOM   1014  HA  LYS A  72      -9.757  -0.370  -4.157  1.00  0.51           H  
ATOM   1015  HB2 LYS A  72     -12.447  -0.685  -2.771  1.00  0.92           H  
ATOM   1016  HB3 LYS A  72     -12.201   0.494  -4.060  1.00  0.75           H  
ATOM   1017  HG2 LYS A  72     -11.536  -1.291  -5.613  1.00  1.29           H  
ATOM   1018  HG3 LYS A  72     -11.687  -2.495  -4.332  1.00  1.33           H  
ATOM   1019  HD2 LYS A  72     -14.097  -2.032  -4.139  1.00  1.55           H  
ATOM   1020  HD3 LYS A  72     -13.974  -0.764  -5.357  1.00  1.36           H  
ATOM   1021  HE2 LYS A  72     -13.145  -3.615  -5.976  1.00  2.43           H  
ATOM   1022  HE3 LYS A  72     -14.820  -3.096  -6.118  1.00  2.55           H  
ATOM   1023  HZ1 LYS A  72     -12.495  -1.909  -7.547  1.00  3.26           H  
ATOM   1024  HZ2 LYS A  72     -14.093  -1.335  -7.644  1.00  3.16           H  
ATOM   1025  HZ3 LYS A  72     -13.705  -2.882  -8.226  1.00  3.08           H  
ATOM   1026  N   ILE A  73     -10.451   1.081  -1.219  1.00  0.40           N  
ATOM   1027  CA  ILE A  73     -10.235   2.351  -0.398  1.00  0.43           C  
ATOM   1028  C   ILE A  73      -8.705   2.531  -0.140  1.00  0.40           C  
ATOM   1029  O   ILE A  73      -8.206   3.649  -0.195  1.00  0.42           O  
ATOM   1030  CB  ILE A  73     -11.026   2.267   0.959  1.00  0.52           C  
ATOM   1031  CG1 ILE A  73     -12.559   2.099   0.680  1.00  1.01           C  
ATOM   1032  CG2 ILE A  73     -10.798   3.549   1.813  1.00  0.79           C  
ATOM   1033  CD1 ILE A  73     -13.287   1.532   1.915  1.00  1.45           C  
ATOM   1034  H   ILE A  73     -10.830   0.291  -0.775  1.00  0.39           H  
ATOM   1035  HA  ILE A  73     -10.595   3.200  -0.969  1.00  0.49           H  
ATOM   1036  HB  ILE A  73     -10.668   1.410   1.516  1.00  1.05           H  
ATOM   1037 HG12 ILE A  73     -12.989   3.058   0.427  1.00  1.23           H  
ATOM   1038 HG13 ILE A  73     -12.706   1.422  -0.149  1.00  1.58           H  
ATOM   1039 HG21 ILE A  73      -9.768   3.591   2.137  1.00  1.18           H  
ATOM   1040 HG22 ILE A  73     -11.440   3.526   2.682  1.00  1.38           H  
ATOM   1041 HG23 ILE A  73     -11.026   4.426   1.223  1.00  1.12           H  
ATOM   1042 HD11 ILE A  73     -12.848   0.584   2.192  1.00  1.80           H  
ATOM   1043 HD12 ILE A  73     -14.331   1.388   1.681  1.00  2.12           H  
ATOM   1044 HD13 ILE A  73     -13.198   2.225   2.740  1.00  1.71           H  
ATOM   1045  N   LEU A  74      -7.973   1.431   0.122  1.00  0.38           N  
ATOM   1046  CA  LEU A  74      -6.471   1.497   0.368  1.00  0.40           C  
ATOM   1047  C   LEU A  74      -5.740   1.819  -0.967  1.00  0.41           C  
ATOM   1048  O   LEU A  74      -4.800   2.600  -0.967  1.00  0.41           O  
ATOM   1049  CB  LEU A  74      -5.957   0.133   0.960  1.00  0.48           C  
ATOM   1050  CG  LEU A  74      -4.906   0.300   2.110  1.00  0.59           C  
ATOM   1051  CD1 LEU A  74      -3.636   1.031   1.620  1.00  1.67           C  
ATOM   1052  CD2 LEU A  74      -5.515   1.049   3.324  1.00  1.36           C  
ATOM   1053  H   LEU A  74      -8.417   0.555   0.144  1.00  0.38           H  
ATOM   1054  HA  LEU A  74      -6.274   2.296   1.072  1.00  0.43           H  
ATOM   1055  HB2 LEU A  74      -6.797  -0.412   1.355  1.00  0.61           H  
ATOM   1056  HB3 LEU A  74      -5.514  -0.459   0.168  1.00  0.54           H  
ATOM   1057  HG  LEU A  74      -4.613  -0.689   2.433  1.00  1.12           H  
ATOM   1058 HD11 LEU A  74      -3.872   2.061   1.392  1.00  1.95           H  
ATOM   1059 HD12 LEU A  74      -3.258   0.545   0.732  1.00  2.27           H  
ATOM   1060 HD13 LEU A  74      -2.881   0.998   2.392  1.00  2.38           H  
ATOM   1061 HD21 LEU A  74      -5.549   2.110   3.123  1.00  2.09           H  
ATOM   1062 HD22 LEU A  74      -4.905   0.871   4.198  1.00  1.77           H  
ATOM   1063 HD23 LEU A  74      -6.516   0.688   3.510  1.00  1.65           H  
ATOM   1064  N   ALA A  75      -6.191   1.236  -2.097  1.00  0.45           N  
ATOM   1065  CA  ALA A  75      -5.559   1.505  -3.457  1.00  0.52           C  
ATOM   1066  C   ALA A  75      -5.813   2.978  -3.882  1.00  0.52           C  
ATOM   1067  O   ALA A  75      -4.911   3.633  -4.381  1.00  0.56           O  
ATOM   1068  CB  ALA A  75      -6.147   0.553  -4.518  1.00  0.58           C  
ATOM   1069  H   ALA A  75      -6.962   0.628  -2.046  1.00  0.45           H  
ATOM   1070  HA  ALA A  75      -4.492   1.335  -3.388  1.00  0.56           H  
ATOM   1071  HB1 ALA A  75      -5.717   0.775  -5.485  1.00  1.16           H  
ATOM   1072  HB2 ALA A  75      -7.220   0.679  -4.564  1.00  1.03           H  
ATOM   1073  HB3 ALA A  75      -5.917  -0.467  -4.249  1.00  1.05           H  
ATOM   1074  N   GLU A  76      -7.034   3.499  -3.660  1.00  0.51           N  
ATOM   1075  CA  GLU A  76      -7.374   4.942  -4.018  1.00  0.55           C  
ATOM   1076  C   GLU A  76      -6.660   5.930  -3.046  1.00  0.49           C  
ATOM   1077  O   GLU A  76      -6.357   7.052  -3.439  1.00  0.53           O  
ATOM   1078  CB  GLU A  76      -8.909   5.165  -3.944  1.00  0.60           C  
ATOM   1079  CG  GLU A  76      -9.609   4.540  -5.174  1.00  0.90           C  
ATOM   1080  CD  GLU A  76     -11.117   4.862  -5.147  1.00  1.12           C  
ATOM   1081  OE1 GLU A  76     -11.496   5.892  -5.687  1.00  1.62           O  
ATOM   1082  OE2 GLU A  76     -11.866   4.073  -4.589  1.00  1.22           O  
ATOM   1083  H   GLU A  76      -7.724   2.939  -3.239  1.00  0.49           H  
ATOM   1084  HA  GLU A  76      -7.034   5.142  -5.027  1.00  0.63           H  
ATOM   1085  HB2 GLU A  76      -9.294   4.706  -3.043  1.00  0.89           H  
ATOM   1086  HB3 GLU A  76      -9.119   6.227  -3.920  1.00  0.89           H  
ATOM   1087  HG2 GLU A  76      -9.172   4.943  -6.079  1.00  1.28           H  
ATOM   1088  HG3 GLU A  76      -9.470   3.468  -5.161  1.00  1.25           H  
ATOM   1089  N   TRP A  77      -6.386   5.517  -1.791  1.00  0.41           N  
ATOM   1090  CA  TRP A  77      -5.686   6.414  -0.784  1.00  0.37           C  
ATOM   1091  C   TRP A  77      -4.157   6.469  -1.081  1.00  0.36           C  
ATOM   1092  O   TRP A  77      -3.578   7.547  -1.048  1.00  0.37           O  
ATOM   1093  CB  TRP A  77      -5.949   5.898   0.658  1.00  0.37           C  
ATOM   1094  CG  TRP A  77      -5.476   6.905   1.685  1.00  0.38           C  
ATOM   1095  CD1 TRP A  77      -6.085   8.086   1.971  1.00  0.45           C  
ATOM   1096  CD2 TRP A  77      -4.311   6.827   2.561  1.00  0.40           C  
ATOM   1097  NE1 TRP A  77      -5.360   8.736   2.952  1.00  0.48           N  
ATOM   1098  CE2 TRP A  77      -4.261   8.001   3.350  1.00  0.44           C  
ATOM   1099  CE3 TRP A  77      -3.301   5.863   2.743  1.00  0.46           C  
ATOM   1100  CZ2 TRP A  77      -3.245   8.210   4.283  1.00  0.50           C  
ATOM   1101  CZ3 TRP A  77      -2.280   6.071   3.684  1.00  0.54           C  
ATOM   1102  CH2 TRP A  77      -2.253   7.243   4.451  1.00  0.54           C  
ATOM   1103  H   TRP A  77      -6.642   4.609  -1.517  1.00  0.41           H  
ATOM   1104  HA  TRP A  77      -6.094   7.415  -0.876  1.00  0.38           H  
ATOM   1105  HB2 TRP A  77      -7.009   5.733   0.787  1.00  0.39           H  
ATOM   1106  HB3 TRP A  77      -5.427   4.962   0.805  1.00  0.38           H  
ATOM   1107  HD1 TRP A  77      -6.983   8.459   1.502  1.00  0.51           H  
ATOM   1108  HE1 TRP A  77      -5.585   9.611   3.333  1.00  0.56           H  
ATOM   1109  HE3 TRP A  77      -3.313   4.956   2.157  1.00  0.48           H  
ATOM   1110  HZ2 TRP A  77      -3.225   9.115   4.869  1.00  0.55           H  
ATOM   1111  HZ3 TRP A  77      -1.512   5.324   3.816  1.00  0.62           H  
ATOM   1112  HH2 TRP A  77      -1.465   7.397   5.173  1.00  0.61           H  
ATOM   1113  N   VAL A  78      -3.511   5.323  -1.385  1.00  0.38           N  
ATOM   1114  CA  VAL A  78      -2.010   5.314  -1.711  1.00  0.41           C  
ATOM   1115  C   VAL A  78      -1.750   6.091  -3.042  1.00  0.43           C  
ATOM   1116  O   VAL A  78      -0.708   6.719  -3.192  1.00  0.47           O  
ATOM   1117  CB  VAL A  78      -1.427   3.857  -1.801  1.00  0.46           C  
ATOM   1118  CG1 VAL A  78      -1.532   3.156  -0.429  1.00  0.49           C  
ATOM   1119  CG2 VAL A  78      -2.144   3.004  -2.881  1.00  0.47           C  
ATOM   1120  H   VAL A  78      -4.013   4.481  -1.411  1.00  0.40           H  
ATOM   1121  HA  VAL A  78      -1.494   5.841  -0.914  1.00  0.41           H  
ATOM   1122  HB  VAL A  78      -0.378   3.929  -2.057  1.00  0.49           H  
ATOM   1123 HG11 VAL A  78      -1.151   2.147  -0.507  1.00  0.77           H  
ATOM   1124 HG12 VAL A  78      -2.563   3.126  -0.111  1.00  0.95           H  
ATOM   1125 HG13 VAL A  78      -0.950   3.701   0.299  1.00  1.01           H  
ATOM   1126 HG21 VAL A  78      -1.973   3.437  -3.855  1.00  1.08           H  
ATOM   1127 HG22 VAL A  78      -3.199   2.976  -2.684  1.00  1.04           H  
ATOM   1128 HG23 VAL A  78      -1.750   1.996  -2.867  1.00  1.21           H  
ATOM   1129  N   LEU A  79      -2.717   6.068  -3.981  1.00  0.42           N  
ATOM   1130  CA  LEU A  79      -2.594   6.818  -5.296  1.00  0.49           C  
ATOM   1131  C   LEU A  79      -2.853   8.328  -5.032  1.00  0.49           C  
ATOM   1132  O   LEU A  79      -2.061   9.170  -5.439  1.00  0.65           O  
ATOM   1133  CB  LEU A  79      -3.640   6.279  -6.317  1.00  0.56           C  
ATOM   1134  CG  LEU A  79      -3.316   4.821  -6.765  1.00  0.60           C  
ATOM   1135  CD1 LEU A  79      -4.544   4.205  -7.469  1.00  0.76           C  
ATOM   1136  CD2 LEU A  79      -2.110   4.797  -7.733  1.00  0.84           C  
ATOM   1137  H   LEU A  79      -3.544   5.568  -3.804  1.00  0.40           H  
ATOM   1138  HA  LEU A  79      -1.595   6.689  -5.694  1.00  0.55           H  
ATOM   1139  HB2 LEU A  79      -4.617   6.297  -5.852  1.00  0.58           H  
ATOM   1140  HB3 LEU A  79      -3.659   6.923  -7.184  1.00  0.61           H  
ATOM   1141  HG  LEU A  79      -3.081   4.225  -5.893  1.00  0.58           H  
ATOM   1142 HD11 LEU A  79      -4.328   3.182  -7.739  1.00  1.45           H  
ATOM   1143 HD12 LEU A  79      -4.777   4.770  -8.361  1.00  1.29           H  
ATOM   1144 HD13 LEU A  79      -5.393   4.226  -6.800  1.00  1.15           H  
ATOM   1145 HD21 LEU A  79      -2.284   5.481  -8.553  1.00  1.31           H  
ATOM   1146 HD22 LEU A  79      -1.975   3.797  -8.122  1.00  1.13           H  
ATOM   1147 HD23 LEU A  79      -1.218   5.093  -7.201  1.00  1.45           H  
ATOM   1148  N   SER A  80      -3.954   8.652  -4.328  1.00  0.48           N  
ATOM   1149  CA  SER A  80      -4.313  10.080  -3.975  1.00  0.53           C  
ATOM   1150  C   SER A  80      -4.316  10.196  -2.424  1.00  0.52           C  
ATOM   1151  O   SER A  80      -5.285   9.821  -1.762  1.00  0.59           O  
ATOM   1152  CB  SER A  80      -5.701  10.431  -4.566  1.00  0.63           C  
ATOM   1153  OG  SER A  80      -5.640  10.395  -5.991  1.00  0.83           O  
ATOM   1154  H   SER A  80      -4.546   7.932  -4.014  1.00  0.55           H  
ATOM   1155  HA  SER A  80      -3.569  10.758  -4.379  1.00  0.56           H  
ATOM   1156  HB2 SER A  80      -6.431   9.713  -4.228  1.00  0.77           H  
ATOM   1157  HB3 SER A  80      -5.995  11.419  -4.232  1.00  0.65           H  
ATOM   1158  HG  SER A  80      -5.454  11.283  -6.307  1.00  1.52           H  
ATOM   1159  N   LEU A  81      -3.209  10.682  -1.846  1.00  0.50           N  
ATOM   1160  CA  LEU A  81      -3.073  10.811  -0.332  1.00  0.55           C  
ATOM   1161  C   LEU A  81      -3.714  12.127   0.178  1.00  0.80           C  
ATOM   1162  O   LEU A  81      -3.845  13.095  -0.568  1.00  1.14           O  
ATOM   1163  CB  LEU A  81      -1.570  10.786   0.066  1.00  0.59           C  
ATOM   1164  CG  LEU A  81      -0.955   9.370  -0.148  1.00  0.55           C  
ATOM   1165  CD1 LEU A  81       0.575   9.478  -0.284  1.00  0.69           C  
ATOM   1166  CD2 LEU A  81      -1.301   8.440   1.042  1.00  0.66           C  
ATOM   1167  H   LEU A  81      -2.449  10.945  -2.414  1.00  0.51           H  
ATOM   1168  HA  LEU A  81      -3.575   9.976   0.140  1.00  0.52           H  
ATOM   1169  HB2 LEU A  81      -1.038  11.505  -0.545  1.00  0.73           H  
ATOM   1170  HB3 LEU A  81      -1.468  11.068   1.107  1.00  0.64           H  
ATOM   1171  HG  LEU A  81      -1.350   8.941  -1.060  1.00  0.62           H  
ATOM   1172 HD11 LEU A  81       0.997   9.894   0.621  1.00  1.32           H  
ATOM   1173 HD12 LEU A  81       0.821  10.115  -1.121  1.00  1.29           H  
ATOM   1174 HD13 LEU A  81       0.985   8.496  -0.452  1.00  1.04           H  
ATOM   1175 HD21 LEU A  81      -0.892   8.847   1.957  1.00  1.25           H  
ATOM   1176 HD22 LEU A  81      -0.883   7.459   0.868  1.00  0.96           H  
ATOM   1177 HD23 LEU A  81      -2.374   8.357   1.134  1.00  1.40           H  
ATOM   1178  N   LYS A  82      -4.101  12.149   1.461  1.00  1.12           N  
ATOM   1179  CA  LYS A  82      -4.738  13.368   2.102  1.00  1.42           C  
ATOM   1180  C   LYS A  82      -3.723  14.038   3.061  1.00  1.79           C  
ATOM   1181  O   LYS A  82      -3.126  13.335   3.869  1.00  2.25           O  
ATOM   1182  CB  LYS A  82      -6.007  12.943   2.894  1.00  2.17           C  
ATOM   1183  CG  LYS A  82      -7.122  12.428   1.946  1.00  2.45           C  
ATOM   1184  CD  LYS A  82      -7.883  13.609   1.296  1.00  3.15           C  
ATOM   1185  CE  LYS A  82      -8.997  13.092   0.359  1.00  3.71           C  
ATOM   1186  NZ  LYS A  82      -8.417  12.615  -0.939  1.00  3.79           N  
ATOM   1187  OXT LYS A  82      -3.563  15.245   2.973  1.00  2.32           O  
ATOM   1188  H   LYS A  82      -3.964  11.347   2.015  1.00  1.39           H  
ATOM   1189  HA  LYS A  82      -5.021  14.079   1.334  1.00  1.26           H  
ATOM   1190  HB2 LYS A  82      -5.744  12.153   3.584  1.00  2.70           H  
ATOM   1191  HB3 LYS A  82      -6.380  13.789   3.458  1.00  2.50           H  
ATOM   1192  HG2 LYS A  82      -6.684  11.812   1.172  1.00  2.44           H  
ATOM   1193  HG3 LYS A  82      -7.818  11.831   2.518  1.00  2.86           H  
ATOM   1194  HD2 LYS A  82      -8.329  14.217   2.071  1.00  3.60           H  
ATOM   1195  HD3 LYS A  82      -7.192  14.213   0.725  1.00  3.41           H  
ATOM   1196  HE2 LYS A  82      -9.525  12.277   0.834  1.00  4.07           H  
ATOM   1197  HE3 LYS A  82      -9.693  13.895   0.162  1.00  4.28           H  
ATOM   1198  HZ1 LYS A  82      -9.189  12.344  -1.580  1.00  3.97           H  
ATOM   1199  HZ2 LYS A  82      -7.806  11.790  -0.769  1.00  3.99           H  
ATOM   1200  HZ3 LYS A  82      -7.860  13.377  -1.378  1.00  4.04           H  
TER    1201      LYS A  82                                                      
HETATM 1202 FE   HEC A  83       3.513  -3.448   1.956  1.00  0.16          FE  
HETATM 1203  CHA HEC A  83       4.912  -3.052  -1.141  1.00  0.15           C  
HETATM 1204  CHB HEC A  83       0.592  -2.074   0.836  1.00  0.22           C  
HETATM 1205  CHC HEC A  83       2.096  -3.959   5.030  1.00  0.21           C  
HETATM 1206  CHD HEC A  83       6.468  -4.687   3.136  1.00  0.15           C  
HETATM 1207  NA  HEC A  83       2.879  -2.707   0.202  1.00  0.18           N  
HETATM 1208  C1A HEC A  83       3.586  -2.625  -0.986  1.00  0.17           C  
HETATM 1209  C2A HEC A  83       2.800  -2.050  -1.992  1.00  0.20           C  
HETATM 1210  C3A HEC A  83       1.572  -1.765  -1.426  1.00  0.22           C  
HETATM 1211  C4A HEC A  83       1.638  -2.173  -0.088  1.00  0.21           C  
HETATM 1212  CMA HEC A  83       0.368  -1.127  -2.145  1.00  0.26           C  
HETATM 1213  CAA HEC A  83       3.215  -1.780  -3.457  1.00  0.22           C  
HETATM 1214  CBA HEC A  83       2.942  -3.036  -4.321  1.00  0.23           C  
HETATM 1215  CGA HEC A  83       3.330  -2.829  -5.810  1.00  0.25           C  
HETATM 1216  O1A HEC A  83       3.170  -3.733  -6.604  1.00  0.23           O  
HETATM 1217  O2A HEC A  83       3.784  -1.774  -6.223  1.00  0.29           O  
HETATM 1218  NB  HEC A  83       1.702  -3.085   2.771  1.00  0.20           N  
HETATM 1219  C1B HEC A  83       0.606  -2.503   2.165  1.00  0.22           C  
HETATM 1220  C2B HEC A  83      -0.483  -2.415   3.050  1.00  0.25           C  
HETATM 1221  C3B HEC A  83      -0.055  -2.967   4.268  1.00  0.24           C  
HETATM 1222  C4B HEC A  83       1.281  -3.366   4.063  1.00  0.21           C  
HETATM 1223  CMB HEC A  83      -1.880  -1.823   2.718  1.00  0.28           C  
HETATM 1224  CAB HEC A  83      -0.884  -3.121   5.598  1.00  0.27           C  
HETATM 1225  CBB HEC A  83      -2.066  -4.083   5.369  1.00  0.30           C  
HETATM 1226  NC  HEC A  83       4.147  -4.197   3.717  1.00  0.17           N  
HETATM 1227  C1C HEC A  83       3.427  -4.336   4.885  1.00  0.19           C  
HETATM 1228  C2C HEC A  83       4.222  -4.862   5.911  1.00  0.21           C  
HETATM 1229  C3C HEC A  83       5.488  -5.046   5.381  1.00  0.19           C  
HETATM 1230  C4C HEC A  83       5.413  -4.648   4.038  1.00  0.17           C  
HETATM 1231  CMC HEC A  83       3.780  -5.148   7.358  1.00  0.24           C  
HETATM 1232  CAC HEC A  83       6.758  -5.582   6.128  1.00  0.21           C  
HETATM 1233  CBC HEC A  83       6.568  -7.047   6.583  1.00  0.24           C  
HETATM 1234  ND  HEC A  83       5.320  -3.802   1.159  1.00  0.14           N  
HETATM 1235  C1D HEC A  83       6.433  -4.311   1.798  1.00  0.13           C  
HETATM 1236  C2D HEC A  83       7.508  -4.419   0.923  1.00  0.13           C  
HETATM 1237  C3D HEC A  83       7.070  -3.982  -0.309  1.00  0.13           C  
HETATM 1238  C4D HEC A  83       5.730  -3.593  -0.146  1.00  0.14           C  
HETATM 1239  CMD HEC A  83       8.914  -4.943   1.263  1.00  0.14           C  
HETATM 1240  CAD HEC A  83       7.922  -3.932  -1.596  1.00  0.14           C  
HETATM 1241  CBD HEC A  83       7.938  -5.330  -2.262  1.00  0.20           C  
HETATM 1242  CGD HEC A  83       8.802  -5.360  -3.548  1.00  0.23           C  
HETATM 1243  O1D HEC A  83       8.907  -6.394  -4.178  1.00  0.30           O  
HETATM 1244  O2D HEC A  83       9.399  -4.374  -3.951  1.00  0.20           O  
HETATM 1245  HHA HEC A  83       5.346  -2.956  -2.138  1.00  0.16           H  
HETATM 1246  HHB HEC A  83      -0.331  -1.610   0.485  1.00  0.25           H  
HETATM 1247  HHC HEC A  83       1.641  -4.160   5.996  1.00  0.23           H  
HETATM 1248  HHD HEC A  83       7.423  -5.051   3.512  1.00  0.16           H  
HETATM 1249 HMA1 HEC A  83       0.289  -1.533  -3.142  1.00  1.02           H  
HETATM 1250 HMA2 HEC A  83      -0.541  -1.340  -1.604  1.00  0.91           H  
HETATM 1251 HMA3 HEC A  83       0.509  -0.058  -2.202  1.00  1.08           H  
HETATM 1252 HAA1 HEC A  83       4.268  -1.542  -3.494  1.00  0.26           H  
HETATM 1253 HAA2 HEC A  83       2.650  -0.946  -3.842  1.00  0.20           H  
HETATM 1254 HBA1 HEC A  83       3.512  -3.863  -3.925  1.00  0.26           H  
HETATM 1255 HBA2 HEC A  83       1.890  -3.277  -4.267  1.00  0.21           H  
HETATM 1256 HMB1 HEC A  83      -1.535  -1.052   3.390  1.00  0.96           H  
HETATM 1257 HMB2 HEC A  83      -2.175  -2.851   2.864  1.00  1.04           H  
HETATM 1258 HMB3 HEC A  83      -2.759  -1.689   3.331  1.00  1.08           H  
HETATM 1259  HAB HEC A  83      -0.240  -3.573   6.332  1.00  0.27           H  
HETATM 1260 HBB1 HEC A  83      -2.836  -3.587   4.797  1.00  1.08           H  
HETATM 1261 HBB2 HEC A  83      -1.727  -4.955   4.832  1.00  1.02           H  
HETATM 1262 HBB3 HEC A  83      -2.470  -4.387   6.323  1.00  1.06           H  
HETATM 1263 HMC1 HEC A  83       4.450  -5.849   7.820  1.00  0.93           H  
HETATM 1264 HMC2 HEC A  83       3.786  -4.227   7.921  1.00  1.00           H  
HETATM 1265 HMC3 HEC A  83       2.783  -5.562   7.354  1.00  0.98           H  
HETATM 1266  HAC HEC A  83       7.585  -5.562   5.438  1.00  0.20           H  
HETATM 1267 HBC1 HEC A  83       6.038  -7.077   7.521  1.00  1.09           H  
HETATM 1268 HBC2 HEC A  83       7.537  -7.508   6.708  1.00  0.99           H  
HETATM 1269 HBC3 HEC A  83       6.009  -7.595   5.836  1.00  0.97           H  
HETATM 1270 HMD1 HEC A  83       9.184  -4.636   2.263  1.00  0.95           H  
HETATM 1271 HMD2 HEC A  83       9.632  -4.540   0.565  1.00  1.00           H  
HETATM 1272 HMD3 HEC A  83       8.918  -6.020   1.205  1.00  1.04           H  
HETATM 1273 HAD1 HEC A  83       8.933  -3.640  -1.348  1.00  0.15           H  
HETATM 1274 HAD2 HEC A  83       7.503  -3.211  -2.283  1.00  0.15           H  
HETATM 1275 HBD1 HEC A  83       8.328  -6.053  -1.561  1.00  0.23           H  
HETATM 1276 HBD2 HEC A  83       6.927  -5.605  -2.519  1.00  0.23           H  
CONECT  177 1224                                                                
CONECT  207 1232                                                                
CONECT  221 1202                                                                
CONECT  852 1202                                                                
CONECT 1202  221  852 1207 1218                                                 
CONECT 1202 1226 1234                                                           
CONECT 1203 1208 1238 1245                                                      
CONECT 1204 1211 1219 1246                                                      
CONECT 1205 1222 1227 1247                                                      
CONECT 1206 1230 1235 1248                                                      
CONECT 1207 1202 1208 1211                                                      
CONECT 1208 1203 1207 1209                                                      
CONECT 1209 1208 1210 1213                                                      
CONECT 1210 1209 1211 1212                                                      
CONECT 1211 1204 1207 1210                                                      
CONECT 1212 1210 1249 1250 1251                                                 
CONECT 1213 1209 1214 1252 1253                                                 
CONECT 1214 1213 1215 1254 1255                                                 
CONECT 1215 1214 1216 1217                                                      
CONECT 1216 1215                                                                
CONECT 1217 1215                                                                
CONECT 1218 1202 1219 1222                                                      
CONECT 1219 1204 1218 1220                                                      
CONECT 1220 1219 1221 1223                                                      
CONECT 1221 1220 1222 1224                                                      
CONECT 1222 1205 1218 1221                                                      
CONECT 1223 1220 1256 1257 1258                                                 
CONECT 1224  177 1221 1225 1259                                                 
CONECT 1225 1224 1260 1261 1262                                                 
CONECT 1226 1202 1227 1230                                                      
CONECT 1227 1205 1226 1228                                                      
CONECT 1228 1227 1229 1231                                                      
CONECT 1229 1228 1230 1232                                                      
CONECT 1230 1206 1226 1229                                                      
CONECT 1231 1228 1263 1264 1265                                                 
CONECT 1232  207 1229 1233 1266                                                 
CONECT 1233 1232 1267 1268 1269                                                 
CONECT 1234 1202 1235 1238                                                      
CONECT 1235 1206 1234 1236                                                      
CONECT 1236 1235 1237 1239                                                      
CONECT 1237 1236 1238 1240                                                      
CONECT 1238 1203 1234 1237                                                      
CONECT 1239 1236 1270 1271 1272                                                 
CONECT 1240 1237 1241 1273 1274                                                 
CONECT 1241 1240 1242 1275 1276                                                 
CONECT 1242 1241 1243 1244                                                      
CONECT 1243 1242                                                                
CONECT 1244 1242                                                                
CONECT 1245 1203                                                                
CONECT 1246 1204                                                                
CONECT 1247 1205                                                                
CONECT 1248 1206                                                                
CONECT 1249 1212                                                                
CONECT 1250 1212                                                                
CONECT 1251 1212                                                                
CONECT 1252 1213                                                                
CONECT 1253 1213                                                                
CONECT 1254 1214                                                                
CONECT 1255 1214                                                                
CONECT 1256 1223                                                                
CONECT 1257 1223                                                                
CONECT 1258 1223                                                                
CONECT 1259 1224                                                                
CONECT 1260 1225                                                                
CONECT 1261 1225                                                                
CONECT 1262 1225                                                                
CONECT 1263 1231                                                                
CONECT 1264 1231                                                                
CONECT 1265 1231                                                                
CONECT 1266 1232                                                                
CONECT 1267 1233                                                                
CONECT 1268 1233                                                                
CONECT 1269 1233                                                                
CONECT 1270 1239                                                                
CONECT 1271 1239                                                                
CONECT 1272 1239                                                                
CONECT 1273 1240                                                                
CONECT 1274 1240                                                                
CONECT 1275 1241                                                                
CONECT 1276 1241                                                                
MASTER      121    0    1    4    0    0    4    6  638    1   80    7          
END