HEADER    CELLULOSE DOCKING DOMAIN                28-SEP-00   1E8P              
TITLE     CHARACTERISATION OF THE CELLULOSE DOCKING DOMAIN FROM PIROMYCES EQUI  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ENDOGLUCANASE 45A;                                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: CELLULOSE DOCKING DOMAIN;                                  
COMPND   5 SYNONYM: DOCKERIN;                                                   
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: PIROMYCES EQUI;                                 
SOURCE   3 ORGANISM_TAXID: 99929;                                               
SOURCE   4 GENE: CEL45A;                                                        
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
KEYWDS    CELLULOSE DOCKING DOMAIN, CELLULASE                                   
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    S.RAGHOTHAMA,R.Y.EBERHARDT,P.WHITE,G.P.HAZLEWOOD,H.J.GILBERT,         
AUTHOR   2 P.J.SIMPSON,M.P.WILLIAMSON                                           
REVDAT   3   20-JUN-18 1E8P    1       COMPND SOURCE JRNL   DBREF               
REVDAT   3 2                   1       SEQADV                                   
REVDAT   2   24-FEB-09 1E8P    1       VERSN                                    
REVDAT   1   07-SEP-01 1E8P    0                                                
JRNL        AUTH   S.RAGHOTHAMA,R.Y.EBERHARDT,P.SIMPSON,D.WIGELSWORTH,P.WHITE,  
JRNL        AUTH 2 G.P.HAZLEWOOD,T.NAGY,H.J.GILBERT,M.P.WILLIAMSON              
JRNL        TITL   CHARACTERIZATION OF A CELLULOSOME DOCKERIN DOMAIN FROM THE   
JRNL        TITL 2 ANAEROBIC FUNGUS PIROMYCES EQUI.                             
JRNL        REF    NAT. STRUCT. BIOL.            V.   8   775 2001              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   11524680                                                     
JRNL        DOI    10.1038/NSB0901-775                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: YASAP PROTOCOL                            
REMARK   4                                                                      
REMARK   4 1E8P COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 28-SEP-00.                  
REMARK 100 THE DEPOSITION ID IS D_1290005401.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 50 MM SODIUM PHOSPHATE             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D - HSQC/NOESY; HNHA; HNHB; 2D    
REMARK 210                                   - HSQC; 15N DECOUPLED TOCSY; DQF-  
REMARK 210                                   COSY; E.COSY                       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : FELIX                              
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED       
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : MINIMISED AVERAGE STRUCTURE        
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: MINIMISED AVERAGE STRUCTURE. THE STRUCTURE WAS DETERMINED    
REMARK 210  USING STANDARD 2D & 3D NMR TECHNIQUES.                              
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    SER A   2       25.10   -154.93                                   
REMARK 500    CYS A   3      103.67    -43.68                                   
REMARK 500    ASN A  11     -150.52    -75.06                                   
REMARK 500    ASN A  15       93.15     57.70                                   
REMARK 500    SER A  18       16.99   -151.20                                   
REMARK 500    THR A  24      110.40   -170.65                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1E8Q   RELATED DB: PDB                                   
REMARK 900 CHARACTERISATION OF THE CELLULOSE DOCKING DOMAIN FROM PIROMYCES EQUI 
REMARK 900 RELATED ID: 3322   RELATED DB: BMRB                                  
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 SER 2, NMR SAMPLE HAS SER AT THIS POSITION                           
DBREF  1E8P A    1    46  UNP    Q9P868   Q9P868_PIREQ    20     65             
SEQADV 1E8P SER A    2  UNP  Q9P868    ALA    21 CONFLICT                       
SEQRES   1 A   46  ALA SER CYS TRP ALA GLN SER GLN GLY TYR ASN CYS CYS          
SEQRES   2 A   46  ASN ASN PRO SER SER THR LYS VAL GLU TYR THR ASP ALA          
SEQRES   3 A   46  SER GLY GLN TRP GLY VAL GLN ASN GLY GLN TRP CYS GLY          
SEQRES   4 A   46  ILE ASP TYR SER TYR GLY GLN                                  
HELIX    1   1 CYS A    3  GLN A    8  5                                   6    
HELIX    2   2 ASN A   15  THR A   19  5                                   5    
SHEET    1   A 3 GLN A  36  ILE A  40  0                                        
SHEET    2   A 3 GLY A  28  GLN A  33 -1  N  GLN A  33   O  GLN A  36           
SHEET    3   A 3 VAL A  21  ASP A  25 -1  N  ASP A  25   O  GLY A  28           
SSBOND   1 CYS A    3    CYS A   12                          1555   1555  2.02  
SSBOND   2 CYS A   13    CYS A   38                          1555   1555  2.02  
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   ALA A   1       5.165   6.108   9.221  1.00  3.95           N  
ATOM      2  CA  ALA A   1       4.122   6.910   8.520  1.00  3.35           C  
ATOM      3  C   ALA A   1       4.714   7.513   7.245  1.00  2.06           C  
ATOM      4  O   ALA A   1       5.407   8.510   7.281  1.00  2.08           O  
ATOM      5  CB  ALA A   1       3.640   8.034   9.440  1.00  4.05           C  
ATOM      6  H1  ALA A   1       5.931   5.878   8.556  1.00  4.17           H  
ATOM      7  H2  ALA A   1       5.549   6.659  10.016  1.00  4.27           H  
ATOM      8  H3  ALA A   1       4.744   5.228   9.579  1.00  4.35           H  
ATOM      9  HA  ALA A   1       3.289   6.272   8.265  1.00  3.86           H  
ATOM     10  HB1 ALA A   1       4.343   8.162  10.250  1.00  4.51           H  
ATOM     11  HB2 ALA A   1       2.671   7.779   9.841  1.00  4.27           H  
ATOM     12  HB3 ALA A   1       3.567   8.953   8.877  1.00  4.41           H  
ATOM     13  N   SER A   2       4.445   6.916   6.115  1.00  1.48           N  
ATOM     14  CA  SER A   2       4.992   7.456   4.839  1.00  0.59           C  
ATOM     15  C   SER A   2       4.093   7.026   3.677  1.00  0.42           C  
ATOM     16  O   SER A   2       4.525   6.937   2.545  1.00  0.55           O  
ATOM     17  CB  SER A   2       6.404   6.912   4.619  1.00  1.45           C  
ATOM     18  OG  SER A   2       7.317   7.999   4.536  1.00  2.13           O  
ATOM     19  H   SER A   2       3.883   6.113   6.107  1.00  2.13           H  
ATOM     20  HA  SER A   2       5.024   8.534   4.888  1.00  1.34           H  
ATOM     21  HB2 SER A   2       6.681   6.279   5.445  1.00  2.01           H  
ATOM     22  HB3 SER A   2       6.428   6.337   3.703  1.00  2.11           H  
ATOM     23  HG  SER A   2       7.381   8.400   5.406  1.00  2.51           H  
ATOM     24  N   CYS A   3       2.845   6.757   3.949  1.00  0.29           N  
ATOM     25  CA  CYS A   3       1.920   6.333   2.861  1.00  0.16           C  
ATOM     26  C   CYS A   3       2.134   7.211   1.631  1.00  0.14           C  
ATOM     27  O   CYS A   3       1.689   8.340   1.577  1.00  0.17           O  
ATOM     28  CB  CYS A   3       0.479   6.490   3.322  1.00  0.28           C  
ATOM     29  SG  CYS A   3      -0.528   5.160   2.625  1.00  0.92           S  
ATOM     30  H   CYS A   3       2.516   6.835   4.869  1.00  0.43           H  
ATOM     31  HA  CYS A   3       2.106   5.302   2.607  1.00  0.22           H  
ATOM     32  HB2 CYS A   3       0.435   6.454   4.400  1.00  0.72           H  
ATOM     33  HB3 CYS A   3       0.108   7.438   2.975  1.00  0.71           H  
ATOM     34  N   TRP A   4       2.797   6.700   0.639  1.00  0.12           N  
ATOM     35  CA  TRP A   4       3.024   7.511  -0.586  1.00  0.13           C  
ATOM     36  C   TRP A   4       1.746   7.546  -1.423  1.00  0.14           C  
ATOM     37  O   TRP A   4       1.533   8.446  -2.211  1.00  0.26           O  
ATOM     38  CB  TRP A   4       4.152   6.923  -1.413  1.00  0.14           C  
ATOM     39  CG  TRP A   4       4.127   5.443  -1.341  1.00  0.12           C  
ATOM     40  CD1 TRP A   4       4.943   4.699  -0.579  1.00  0.13           C  
ATOM     41  CD2 TRP A   4       3.266   4.516  -2.042  1.00  0.12           C  
ATOM     42  NE1 TRP A   4       4.655   3.375  -0.775  1.00  0.14           N  
ATOM     43  CE2 TRP A   4       3.625   3.205  -1.669  1.00  0.12           C  
ATOM     44  CE3 TRP A   4       2.225   4.688  -2.957  1.00  0.16           C  
ATOM     45  CZ2 TRP A   4       2.974   2.094  -2.189  1.00  0.14           C  
ATOM     46  CZ3 TRP A   4       1.558   3.575  -3.486  1.00  0.17           C  
ATOM     47  CH2 TRP A   4       1.933   2.276  -3.105  1.00  0.15           C  
ATOM     48  H   TRP A   4       3.134   5.786   0.698  1.00  0.13           H  
ATOM     49  HA  TRP A   4       3.296   8.507  -0.303  1.00  0.15           H  
ATOM     50  HB2 TRP A   4       4.035   7.234  -2.430  1.00  0.17           H  
ATOM     51  HB3 TRP A   4       5.091   7.281  -1.041  1.00  0.16           H  
ATOM     52  HD1 TRP A   4       5.699   5.076   0.071  1.00  0.15           H  
ATOM     53  HE1 TRP A   4       5.113   2.638  -0.342  1.00  0.17           H  
ATOM     54  HE3 TRP A   4       1.937   5.683  -3.253  1.00  0.19           H  
ATOM     55  HZ2 TRP A   4       3.279   1.103  -1.890  1.00  0.16           H  
ATOM     56  HZ3 TRP A   4       0.757   3.720  -4.191  1.00  0.21           H  
ATOM     57  HH2 TRP A   4       1.416   1.421  -3.514  1.00  0.17           H  
ATOM     58  N   ALA A   5       0.891   6.572  -1.260  1.00  0.15           N  
ATOM     59  CA  ALA A   5      -0.373   6.553  -2.049  1.00  0.14           C  
ATOM     60  C   ALA A   5      -1.226   7.764  -1.675  1.00  0.16           C  
ATOM     61  O   ALA A   5      -2.057   8.208  -2.441  1.00  0.18           O  
ATOM     62  CB  ALA A   5      -1.150   5.268  -1.747  1.00  0.15           C  
ATOM     63  H   ALA A   5       1.081   5.855  -0.620  1.00  0.25           H  
ATOM     64  HA  ALA A   5      -0.138   6.591  -3.103  1.00  0.16           H  
ATOM     65  HB1 ALA A   5      -0.457   4.480  -1.497  1.00  1.03           H  
ATOM     66  HB2 ALA A   5      -1.819   5.437  -0.914  1.00  1.03           H  
ATOM     67  HB3 ALA A   5      -1.723   4.981  -2.617  1.00  1.02           H  
ATOM     68  N   GLN A   6      -1.032   8.303  -0.501  1.00  0.21           N  
ATOM     69  CA  GLN A   6      -1.827   9.472  -0.080  1.00  0.25           C  
ATOM     70  C   GLN A   6      -1.767  10.556  -1.161  1.00  0.26           C  
ATOM     71  O   GLN A   6      -2.735  11.241  -1.423  1.00  0.31           O  
ATOM     72  CB  GLN A   6      -1.248   9.998   1.225  1.00  0.31           C  
ATOM     73  CG  GLN A   6      -0.212  11.067   0.918  1.00  0.40           C  
ATOM     74  CD  GLN A   6       0.421  11.565   2.218  1.00  0.48           C  
ATOM     75  OE1 GLN A   6       0.943  10.786   2.990  1.00  1.25           O  
ATOM     76  NE2 GLN A   6       0.397  12.840   2.495  1.00  1.15           N  
ATOM     77  H   GLN A   6      -0.365   7.938   0.110  1.00  0.23           H  
ATOM     78  HA  GLN A   6      -2.842   9.182   0.077  1.00  0.25           H  
ATOM     79  HB2 GLN A   6      -2.036  10.409   1.820  1.00  0.37           H  
ATOM     80  HB3 GLN A   6      -0.777   9.188   1.761  1.00  0.44           H  
ATOM     81  HG2 GLN A   6       0.548  10.649   0.277  1.00  0.65           H  
ATOM     82  HG3 GLN A   6      -0.697  11.887   0.414  1.00  0.66           H  
ATOM     83 HE21 GLN A   6      -0.024  13.469   1.872  1.00  1.87           H  
ATOM     84 HE22 GLN A   6       0.800  13.169   3.325  1.00  1.29           H  
ATOM     85  N   SER A   7      -0.634  10.715  -1.788  1.00  0.30           N  
ATOM     86  CA  SER A   7      -0.507  11.754  -2.849  1.00  0.34           C  
ATOM     87  C   SER A   7      -1.733  11.711  -3.763  1.00  0.29           C  
ATOM     88  O   SER A   7      -2.279  12.732  -4.131  1.00  0.34           O  
ATOM     89  CB  SER A   7       0.752  11.487  -3.674  1.00  0.43           C  
ATOM     90  OG  SER A   7       1.496  12.692  -3.799  1.00  1.11           O  
ATOM     91  H   SER A   7       0.135  10.153  -1.560  1.00  0.35           H  
ATOM     92  HA  SER A   7      -0.435  12.729  -2.390  1.00  0.41           H  
ATOM     93  HB2 SER A   7       1.358  10.746  -3.180  1.00  0.94           H  
ATOM     94  HB3 SER A   7       0.469  11.123  -4.653  1.00  0.88           H  
ATOM     95  HG  SER A   7       2.422  12.486  -3.649  1.00  1.43           H  
ATOM     96  N   GLN A   8      -2.169  10.539  -4.136  1.00  0.29           N  
ATOM     97  CA  GLN A   8      -3.358  10.439  -5.030  1.00  0.38           C  
ATOM     98  C   GLN A   8      -4.635  10.374  -4.187  1.00  0.39           C  
ATOM     99  O   GLN A   8      -5.677  10.850  -4.591  1.00  0.55           O  
ATOM    100  CB  GLN A   8      -3.245   9.181  -5.894  1.00  0.47           C  
ATOM    101  CG  GLN A   8      -1.770   8.874  -6.162  1.00  0.51           C  
ATOM    102  CD  GLN A   8      -1.653   7.957  -7.381  1.00  0.65           C  
ATOM    103  OE1 GLN A   8      -2.568   7.863  -8.175  1.00  0.87           O  
ATOM    104  NE2 GLN A   8      -0.557   7.273  -7.565  1.00  0.86           N  
ATOM    105  H   GLN A   8      -1.714   9.726  -3.832  1.00  0.31           H  
ATOM    106  HA  GLN A   8      -3.397  11.309  -5.669  1.00  0.44           H  
ATOM    107  HB2 GLN A   8      -3.698   8.349  -5.377  1.00  0.47           H  
ATOM    108  HB3 GLN A   8      -3.753   9.342  -6.832  1.00  0.58           H  
ATOM    109  HG2 GLN A   8      -1.240   9.796  -6.351  1.00  0.54           H  
ATOM    110  HG3 GLN A   8      -1.342   8.382  -5.302  1.00  0.52           H  
ATOM    111 HE21 GLN A   8       0.181   7.349  -6.925  1.00  1.05           H  
ATOM    112 HE22 GLN A   8      -0.472   6.683  -8.343  1.00  1.00           H  
ATOM    113  N   GLY A   9      -4.566   9.795  -3.018  1.00  0.26           N  
ATOM    114  CA  GLY A   9      -5.783   9.714  -2.159  1.00  0.33           C  
ATOM    115  C   GLY A   9      -6.148   8.250  -1.896  1.00  0.34           C  
ATOM    116  O   GLY A   9      -7.307   7.905  -1.777  1.00  0.71           O  
ATOM    117  H   GLY A   9      -3.717   9.421  -2.703  1.00  0.20           H  
ATOM    118  HA2 GLY A   9      -5.590  10.211  -1.218  1.00  0.35           H  
ATOM    119  HA3 GLY A   9      -6.607  10.202  -2.658  1.00  0.40           H  
ATOM    120  N   TYR A  10      -5.174   7.387  -1.795  1.00  0.16           N  
ATOM    121  CA  TYR A  10      -5.479   5.951  -1.530  1.00  0.13           C  
ATOM    122  C   TYR A  10      -5.185   5.641  -0.058  1.00  0.15           C  
ATOM    123  O   TYR A  10      -4.515   6.394   0.621  1.00  0.21           O  
ATOM    124  CB  TYR A  10      -4.622   5.070  -2.443  1.00  0.11           C  
ATOM    125  CG  TYR A  10      -5.171   5.125  -3.849  1.00  0.11           C  
ATOM    126  CD1 TYR A  10      -4.991   6.280  -4.614  1.00  1.19           C  
ATOM    127  CD2 TYR A  10      -5.856   4.026  -4.389  1.00  1.21           C  
ATOM    128  CE1 TYR A  10      -5.492   6.343  -5.917  1.00  1.20           C  
ATOM    129  CE2 TYR A  10      -6.358   4.089  -5.693  1.00  1.20           C  
ATOM    130  CZ  TYR A  10      -6.177   5.248  -6.458  1.00  0.15           C  
ATOM    131  OH  TYR A  10      -6.672   5.310  -7.745  1.00  0.18           O  
ATOM    132  H   TYR A  10      -4.245   7.683  -1.887  1.00  0.42           H  
ATOM    133  HA  TYR A  10      -6.525   5.766  -1.731  1.00  0.15           H  
ATOM    134  HB2 TYR A  10      -3.607   5.435  -2.441  1.00  0.12           H  
ATOM    135  HB3 TYR A  10      -4.638   4.051  -2.093  1.00  0.13           H  
ATOM    136  HD1 TYR A  10      -4.465   7.124  -4.196  1.00  2.11           H  
ATOM    137  HD2 TYR A  10      -5.996   3.129  -3.803  1.00  2.13           H  
ATOM    138  HE1 TYR A  10      -5.350   7.235  -6.506  1.00  2.12           H  
ATOM    139  HE2 TYR A  10      -6.886   3.243  -6.109  1.00  2.11           H  
ATOM    140  HH  TYR A  10      -7.629   5.259  -7.697  1.00  0.90           H  
ATOM    141  N   ASN A  11      -5.696   4.551   0.447  1.00  0.15           N  
ATOM    142  CA  ASN A  11      -5.466   4.208   1.881  1.00  0.18           C  
ATOM    143  C   ASN A  11      -4.039   3.693   2.091  1.00  0.16           C  
ATOM    144  O   ASN A  11      -3.118   4.068   1.394  1.00  0.23           O  
ATOM    145  CB  ASN A  11      -6.462   3.127   2.304  1.00  0.22           C  
ATOM    146  CG  ASN A  11      -7.870   3.525   1.856  1.00  0.30           C  
ATOM    147  OD1 ASN A  11      -8.034   4.417   1.048  1.00  1.08           O  
ATOM    148  ND2 ASN A  11      -8.901   2.897   2.352  1.00  1.12           N  
ATOM    149  H   ASN A  11      -6.247   3.965  -0.112  1.00  0.15           H  
ATOM    150  HA  ASN A  11      -5.618   5.086   2.488  1.00  0.22           H  
ATOM    151  HB2 ASN A  11      -6.190   2.187   1.845  1.00  0.30           H  
ATOM    152  HB3 ASN A  11      -6.445   3.022   3.377  1.00  0.37           H  
ATOM    153 HD21 ASN A  11      -8.769   2.178   3.005  1.00  1.87           H  
ATOM    154 HD22 ASN A  11      -9.807   3.145   2.072  1.00  1.20           H  
ATOM    155  N   CYS A  12      -3.860   2.837   3.064  1.00  0.12           N  
ATOM    156  CA  CYS A  12      -2.507   2.278   3.355  1.00  0.10           C  
ATOM    157  C   CYS A  12      -2.656   0.843   3.869  1.00  0.09           C  
ATOM    158  O   CYS A  12      -3.477   0.561   4.719  1.00  0.11           O  
ATOM    159  CB  CYS A  12      -1.823   3.125   4.427  1.00  0.13           C  
ATOM    160  SG  CYS A  12      -1.977   4.874   3.999  1.00  0.18           S  
ATOM    161  H   CYS A  12      -4.623   2.564   3.608  1.00  0.15           H  
ATOM    162  HA  CYS A  12      -1.911   2.281   2.455  1.00  0.10           H  
ATOM    163  HB2 CYS A  12      -2.291   2.943   5.382  1.00  0.15           H  
ATOM    164  HB3 CYS A  12      -0.778   2.859   4.483  1.00  0.17           H  
ATOM    165  N   CYS A  13      -1.879  -0.068   3.351  1.00  0.09           N  
ATOM    166  CA  CYS A  13      -1.976  -1.475   3.786  1.00  0.11           C  
ATOM    167  C   CYS A  13      -1.388  -1.642   5.188  1.00  0.12           C  
ATOM    168  O   CYS A  13      -0.310  -1.166   5.482  1.00  0.18           O  
ATOM    169  CB  CYS A  13      -1.185  -2.324   2.802  1.00  0.12           C  
ATOM    170  SG  CYS A  13      -1.536  -1.779   1.114  1.00  0.14           S  
ATOM    171  H   CYS A  13      -1.233   0.168   2.661  1.00  0.11           H  
ATOM    172  HA  CYS A  13      -3.009  -1.789   3.784  1.00  0.13           H  
ATOM    173  HB2 CYS A  13      -0.130  -2.224   3.003  1.00  0.14           H  
ATOM    174  HB3 CYS A  13      -1.472  -3.343   2.912  1.00  0.13           H  
ATOM    175  N   ASN A  14      -2.083  -2.332   6.050  1.00  0.16           N  
ATOM    176  CA  ASN A  14      -1.557  -2.550   7.426  1.00  0.20           C  
ATOM    177  C   ASN A  14      -0.451  -3.603   7.362  1.00  0.16           C  
ATOM    178  O   ASN A  14      -0.619  -4.653   6.773  1.00  0.16           O  
ATOM    179  CB  ASN A  14      -2.684  -3.044   8.334  1.00  0.27           C  
ATOM    180  CG  ASN A  14      -3.740  -1.948   8.482  1.00  1.33           C  
ATOM    181  OD1 ASN A  14      -3.585  -0.864   7.956  1.00  2.12           O  
ATOM    182  ND2 ASN A  14      -4.816  -2.185   9.182  1.00  2.05           N  
ATOM    183  H   ASN A  14      -2.944  -2.719   5.788  1.00  0.20           H  
ATOM    184  HA  ASN A  14      -1.156  -1.624   7.813  1.00  0.23           H  
ATOM    185  HB2 ASN A  14      -3.136  -3.924   7.900  1.00  0.68           H  
ATOM    186  HB3 ASN A  14      -2.283  -3.288   9.306  1.00  0.96           H  
ATOM    187 HD21 ASN A  14      -4.941  -3.059   9.607  1.00  2.26           H  
ATOM    188 HD22 ASN A  14      -5.498  -1.489   9.283  1.00  2.74           H  
ATOM    189  N   ASN A  15       0.682  -3.335   7.948  1.00  0.18           N  
ATOM    190  CA  ASN A  15       1.789  -4.330   7.893  1.00  0.17           C  
ATOM    191  C   ASN A  15       2.117  -4.617   6.426  1.00  0.17           C  
ATOM    192  O   ASN A  15       1.503  -5.463   5.807  1.00  0.19           O  
ATOM    193  CB  ASN A  15       1.350  -5.624   8.583  1.00  0.20           C  
ATOM    194  CG  ASN A  15       1.116  -5.355  10.071  1.00  0.41           C  
ATOM    195  OD1 ASN A  15       1.509  -4.326  10.584  1.00  0.94           O  
ATOM    196  ND2 ASN A  15       0.488  -6.244  10.791  1.00  1.20           N  
ATOM    197  H   ASN A  15       0.809  -2.481   8.411  1.00  0.24           H  
ATOM    198  HA  ASN A  15       2.661  -3.931   8.390  1.00  0.20           H  
ATOM    199  HB2 ASN A  15       0.435  -5.979   8.132  1.00  0.35           H  
ATOM    200  HB3 ASN A  15       2.121  -6.371   8.471  1.00  0.38           H  
ATOM    201 HD21 ASN A  15       0.171  -7.074  10.378  1.00  1.80           H  
ATOM    202 HD22 ASN A  15       0.334  -6.081  11.745  1.00  1.37           H  
ATOM    203  N   PRO A  16       3.071  -3.888   5.911  1.00  0.24           N  
ATOM    204  CA  PRO A  16       3.506  -4.017   4.509  1.00  0.27           C  
ATOM    205  C   PRO A  16       4.384  -5.258   4.323  1.00  0.24           C  
ATOM    206  O   PRO A  16       4.399  -5.866   3.270  1.00  0.24           O  
ATOM    207  CB  PRO A  16       4.310  -2.737   4.265  1.00  0.41           C  
ATOM    208  CG  PRO A  16       4.763  -2.234   5.656  1.00  0.46           C  
ATOM    209  CD  PRO A  16       3.808  -2.868   6.684  1.00  0.35           C  
ATOM    210  HA  PRO A  16       2.656  -4.048   3.848  1.00  0.28           H  
ATOM    211  HB2 PRO A  16       5.171  -2.954   3.646  1.00  0.45           H  
ATOM    212  HB3 PRO A  16       3.689  -1.992   3.793  1.00  0.47           H  
ATOM    213  HG2 PRO A  16       5.780  -2.547   5.849  1.00  0.50           H  
ATOM    214  HG3 PRO A  16       4.688  -1.160   5.705  1.00  0.54           H  
ATOM    215  HD2 PRO A  16       4.369  -3.328   7.486  1.00  0.36           H  
ATOM    216  HD3 PRO A  16       3.124  -2.129   7.072  1.00  0.37           H  
ATOM    217  N   SER A  17       5.115  -5.638   5.334  1.00  0.27           N  
ATOM    218  CA  SER A  17       5.993  -6.836   5.209  1.00  0.32           C  
ATOM    219  C   SER A  17       5.156  -8.114   5.335  1.00  0.29           C  
ATOM    220  O   SER A  17       5.681  -9.185   5.570  1.00  0.39           O  
ATOM    221  CB  SER A  17       7.046  -6.809   6.317  1.00  0.37           C  
ATOM    222  OG  SER A  17       6.420  -6.497   7.554  1.00  1.34           O  
ATOM    223  H   SER A  17       5.089  -5.134   6.174  1.00  0.30           H  
ATOM    224  HA  SER A  17       6.484  -6.822   4.248  1.00  0.39           H  
ATOM    225  HB2 SER A  17       7.518  -7.774   6.392  1.00  1.16           H  
ATOM    226  HB3 SER A  17       7.794  -6.063   6.082  1.00  1.05           H  
ATOM    227  HG  SER A  17       7.106  -6.406   8.219  1.00  1.79           H  
ATOM    228  N   SER A  18       3.862  -8.018   5.183  1.00  0.23           N  
ATOM    229  CA  SER A  18       3.011  -9.236   5.298  1.00  0.31           C  
ATOM    230  C   SER A  18       1.757  -9.080   4.433  1.00  0.24           C  
ATOM    231  O   SER A  18       0.788  -9.793   4.599  1.00  0.28           O  
ATOM    232  CB  SER A  18       2.599  -9.431   6.758  1.00  0.39           C  
ATOM    233  OG  SER A  18       3.759  -9.409   7.580  1.00  1.38           O  
ATOM    234  H   SER A  18       3.452  -7.150   4.996  1.00  0.18           H  
ATOM    235  HA  SER A  18       3.571 -10.097   4.966  1.00  0.41           H  
ATOM    236  HB2 SER A  18       1.937  -8.636   7.057  1.00  1.05           H  
ATOM    237  HB3 SER A  18       2.089 -10.380   6.862  1.00  1.11           H  
ATOM    238  HG  SER A  18       3.627 -10.035   8.295  1.00  1.76           H  
ATOM    239  N   THR A  19       1.763  -8.155   3.510  1.00  0.21           N  
ATOM    240  CA  THR A  19       0.565  -7.968   2.644  1.00  0.17           C  
ATOM    241  C   THR A  19       0.942  -8.238   1.186  1.00  0.18           C  
ATOM    242  O   THR A  19       1.475  -7.386   0.503  1.00  0.28           O  
ATOM    243  CB  THR A  19       0.053  -6.531   2.788  1.00  0.18           C  
ATOM    244  OG1 THR A  19      -0.776  -6.441   3.939  1.00  0.22           O  
ATOM    245  CG2 THR A  19      -0.751  -6.141   1.547  1.00  0.17           C  
ATOM    246  H   THR A  19       2.551  -7.586   3.386  1.00  0.26           H  
ATOM    247  HA  THR A  19      -0.209  -8.658   2.945  1.00  0.18           H  
ATOM    248  HB  THR A  19       0.890  -5.859   2.895  1.00  0.20           H  
ATOM    249  HG1 THR A  19      -0.549  -5.633   4.405  1.00  0.93           H  
ATOM    250 HG21 THR A  19      -1.459  -6.923   1.315  1.00  1.05           H  
ATOM    251 HG22 THR A  19      -1.281  -5.220   1.736  1.00  0.99           H  
ATOM    252 HG23 THR A  19      -0.079  -6.005   0.713  1.00  0.97           H  
ATOM    253  N   LYS A  20       0.666  -9.419   0.705  1.00  0.17           N  
ATOM    254  CA  LYS A  20       1.003  -9.744  -0.705  1.00  0.20           C  
ATOM    255  C   LYS A  20       0.610  -8.574  -1.600  1.00  0.18           C  
ATOM    256  O   LYS A  20      -0.543  -8.203  -1.690  1.00  0.22           O  
ATOM    257  CB  LYS A  20       0.245 -10.998  -1.136  1.00  0.26           C  
ATOM    258  CG  LYS A  20       1.153 -12.210  -0.954  1.00  1.27           C  
ATOM    259  CD  LYS A  20       0.623 -13.379  -1.787  1.00  1.31           C  
ATOM    260  CE  LYS A  20      -0.595 -13.990  -1.091  1.00  2.04           C  
ATOM    261  NZ  LYS A  20      -0.870 -15.338  -1.666  1.00  2.51           N  
ATOM    262  H   LYS A  20       0.236 -10.089   1.271  1.00  0.22           H  
ATOM    263  HA  LYS A  20       2.065  -9.919  -0.789  1.00  0.24           H  
ATOM    264  HB2 LYS A  20      -0.641 -11.112  -0.528  1.00  1.17           H  
ATOM    265  HB3 LYS A  20      -0.036 -10.912  -2.175  1.00  1.05           H  
ATOM    266  HG2 LYS A  20       2.153 -11.957  -1.279  1.00  1.95           H  
ATOM    267  HG3 LYS A  20       1.173 -12.490   0.088  1.00  1.99           H  
ATOM    268  HD2 LYS A  20       0.338 -13.022  -2.766  1.00  1.48           H  
ATOM    269  HD3 LYS A  20       1.392 -14.129  -1.887  1.00  1.39           H  
ATOM    270  HE2 LYS A  20      -0.396 -14.083  -0.034  1.00  2.55           H  
ATOM    271  HE3 LYS A  20      -1.453 -13.353  -1.242  1.00  2.53           H  
ATOM    272  HZ1 LYS A  20       0.031 -15.823  -1.857  1.00  2.94           H  
ATOM    273  HZ2 LYS A  20      -1.428 -15.896  -0.989  1.00  2.89           H  
ATOM    274  HZ3 LYS A  20      -1.404 -15.235  -2.551  1.00  2.78           H  
ATOM    275  N   VAL A  21       1.566  -7.985  -2.253  1.00  0.17           N  
ATOM    276  CA  VAL A  21       1.265  -6.830  -3.134  1.00  0.16           C  
ATOM    277  C   VAL A  21       0.450  -7.285  -4.345  1.00  0.16           C  
ATOM    278  O   VAL A  21       0.871  -8.136  -5.103  1.00  0.18           O  
ATOM    279  CB  VAL A  21       2.578  -6.213  -3.621  1.00  0.19           C  
ATOM    280  CG1 VAL A  21       2.305  -5.286  -4.800  1.00  0.22           C  
ATOM    281  CG2 VAL A  21       3.213  -5.403  -2.496  1.00  0.21           C  
ATOM    282  H   VAL A  21       2.487  -8.298  -2.155  1.00  0.19           H  
ATOM    283  HA  VAL A  21       0.708  -6.095  -2.579  1.00  0.18           H  
ATOM    284  HB  VAL A  21       3.252  -6.997  -3.929  1.00  0.20           H  
ATOM    285 HG11 VAL A  21       1.661  -5.784  -5.508  1.00  1.02           H  
ATOM    286 HG12 VAL A  21       1.824  -4.388  -4.443  1.00  1.05           H  
ATOM    287 HG13 VAL A  21       3.237  -5.031  -5.278  1.00  1.05           H  
ATOM    288 HG21 VAL A  21       3.037  -5.900  -1.555  1.00  1.06           H  
ATOM    289 HG22 VAL A  21       4.276  -5.320  -2.670  1.00  1.03           H  
ATOM    290 HG23 VAL A  21       2.773  -4.416  -2.476  1.00  0.99           H  
ATOM    291  N   GLU A  22      -0.696  -6.699  -4.554  1.00  0.17           N  
ATOM    292  CA  GLU A  22      -1.511  -7.067  -5.736  1.00  0.20           C  
ATOM    293  C   GLU A  22      -1.412  -5.911  -6.728  1.00  0.18           C  
ATOM    294  O   GLU A  22      -1.641  -6.062  -7.911  1.00  0.19           O  
ATOM    295  CB  GLU A  22      -2.967  -7.287  -5.321  1.00  0.25           C  
ATOM    296  CG  GLU A  22      -3.018  -7.788  -3.877  1.00  0.20           C  
ATOM    297  CD  GLU A  22      -2.353  -9.163  -3.789  1.00  0.80           C  
ATOM    298  OE1 GLU A  22      -1.135  -9.208  -3.732  1.00  1.56           O  
ATOM    299  OE2 GLU A  22      -3.074 -10.148  -3.778  1.00  1.49           O  
ATOM    300  H   GLU A  22      -1.008  -5.992  -3.950  1.00  0.17           H  
ATOM    301  HA  GLU A  22      -1.115  -7.967  -6.186  1.00  0.22           H  
ATOM    302  HB2 GLU A  22      -3.508  -6.358  -5.396  1.00  0.34           H  
ATOM    303  HB3 GLU A  22      -3.420  -8.021  -5.969  1.00  0.36           H  
ATOM    304  HG2 GLU A  22      -2.495  -7.091  -3.238  1.00  0.68           H  
ATOM    305  HG3 GLU A  22      -4.046  -7.866  -3.560  1.00  0.61           H  
ATOM    306  N   TYR A  23      -1.052  -4.752  -6.238  1.00  0.15           N  
ATOM    307  CA  TYR A  23      -0.909  -3.570  -7.118  1.00  0.14           C  
ATOM    308  C   TYR A  23       0.572  -3.315  -7.370  1.00  0.14           C  
ATOM    309  O   TYR A  23       1.431  -3.839  -6.691  1.00  0.16           O  
ATOM    310  CB  TYR A  23      -1.484  -2.337  -6.424  1.00  0.13           C  
ATOM    311  CG  TYR A  23      -2.053  -1.417  -7.460  1.00  0.12           C  
ATOM    312  CD1 TYR A  23      -2.887  -1.946  -8.439  1.00  1.22           C  
ATOM    313  CD2 TYR A  23      -1.736  -0.050  -7.464  1.00  1.20           C  
ATOM    314  CE1 TYR A  23      -3.417  -1.121  -9.424  1.00  1.22           C  
ATOM    315  CE2 TYR A  23      -2.259   0.776  -8.452  1.00  1.20           C  
ATOM    316  CZ  TYR A  23      -3.104   0.246  -9.436  1.00  0.12           C  
ATOM    317  OH  TYR A  23      -3.624   1.066 -10.417  1.00  0.13           O  
ATOM    318  H   TYR A  23      -0.867  -4.662  -5.284  1.00  0.15           H  
ATOM    319  HA  TYR A  23      -1.421  -3.738  -8.053  1.00  0.15           H  
ATOM    320  HB2 TYR A  23      -2.255  -2.632  -5.736  1.00  0.13           H  
ATOM    321  HB3 TYR A  23      -0.696  -1.829  -5.891  1.00  0.13           H  
ATOM    322  HD1 TYR A  23      -3.128  -2.999  -8.429  1.00  2.15           H  
ATOM    323  HD2 TYR A  23      -1.100   0.374  -6.699  1.00  2.13           H  
ATOM    324  HE1 TYR A  23      -4.067  -1.539 -10.171  1.00  2.15           H  
ATOM    325  HE2 TYR A  23      -2.004   1.821  -8.455  1.00  2.12           H  
ATOM    326  HH  TYR A  23      -4.396   1.507 -10.057  1.00  0.91           H  
ATOM    327  N   THR A  24       0.870  -2.490  -8.321  1.00  0.14           N  
ATOM    328  CA  THR A  24       2.283  -2.158  -8.611  1.00  0.14           C  
ATOM    329  C   THR A  24       2.307  -1.006  -9.604  1.00  0.15           C  
ATOM    330  O   THR A  24       1.939  -1.152 -10.752  1.00  0.18           O  
ATOM    331  CB  THR A  24       3.007  -3.366  -9.199  1.00  0.17           C  
ATOM    332  OG1 THR A  24       2.486  -4.559  -8.629  1.00  0.25           O  
ATOM    333  CG2 THR A  24       4.495  -3.248  -8.880  1.00  0.30           C  
ATOM    334  H   THR A  24       0.157  -2.065  -8.836  1.00  0.13           H  
ATOM    335  HA  THR A  24       2.771  -1.852  -7.694  1.00  0.13           H  
ATOM    336  HB  THR A  24       2.872  -3.386 -10.269  1.00  0.18           H  
ATOM    337  HG1 THR A  24       2.706  -5.288  -9.213  1.00  0.68           H  
ATOM    338 HG21 THR A  24       4.685  -2.285  -8.424  1.00  1.06           H  
ATOM    339 HG22 THR A  24       4.781  -4.033  -8.197  1.00  1.02           H  
ATOM    340 HG23 THR A  24       5.068  -3.334  -9.791  1.00  0.98           H  
ATOM    341  N   ASP A  25       2.721   0.143  -9.167  1.00  0.14           N  
ATOM    342  CA  ASP A  25       2.748   1.313 -10.089  1.00  0.16           C  
ATOM    343  C   ASP A  25       3.862   2.269  -9.670  1.00  0.19           C  
ATOM    344  O   ASP A  25       4.692   1.943  -8.848  1.00  0.24           O  
ATOM    345  CB  ASP A  25       1.401   2.038 -10.019  1.00  0.15           C  
ATOM    346  CG  ASP A  25       0.361   1.261 -10.827  1.00  0.34           C  
ATOM    347  OD1 ASP A  25       0.751   0.583 -11.763  1.00  1.27           O  
ATOM    348  OD2 ASP A  25      -0.810   1.357 -10.496  1.00  1.03           O  
ATOM    349  H   ASP A  25       3.005   0.237  -8.228  1.00  0.14           H  
ATOM    350  HA  ASP A  25       2.918   0.974 -11.097  1.00  0.17           H  
ATOM    351  HB2 ASP A  25       1.082   2.105  -8.989  1.00  0.29           H  
ATOM    352  HB3 ASP A  25       1.503   3.031 -10.429  1.00  0.32           H  
ATOM    353  N   ALA A  26       3.881   3.455 -10.215  1.00  0.17           N  
ATOM    354  CA  ALA A  26       4.935   4.431  -9.824  1.00  0.20           C  
ATOM    355  C   ALA A  26       4.748   4.779  -8.346  1.00  0.21           C  
ATOM    356  O   ALA A  26       5.557   5.459  -7.746  1.00  0.20           O  
ATOM    357  CB  ALA A  26       4.803   5.697 -10.672  1.00  0.22           C  
ATOM    358  H   ALA A  26       3.197   3.707 -10.870  1.00  0.15           H  
ATOM    359  HA  ALA A  26       5.910   3.991  -9.973  1.00  0.21           H  
ATOM    360  HB1 ALA A  26       5.774   5.977 -11.054  1.00  1.08           H  
ATOM    361  HB2 ALA A  26       4.411   6.499 -10.064  1.00  0.97           H  
ATOM    362  HB3 ALA A  26       4.132   5.510 -11.497  1.00  1.03           H  
ATOM    363  N   SER A  27       3.681   4.307  -7.757  1.00  0.24           N  
ATOM    364  CA  SER A  27       3.423   4.588  -6.323  1.00  0.26           C  
ATOM    365  C   SER A  27       4.109   3.522  -5.477  1.00  0.28           C  
ATOM    366  O   SER A  27       3.970   3.474  -4.273  1.00  0.51           O  
ATOM    367  CB  SER A  27       1.920   4.554  -6.070  1.00  0.21           C  
ATOM    368  OG  SER A  27       1.243   5.105  -7.193  1.00  0.28           O  
ATOM    369  H   SER A  27       3.050   3.758  -8.261  1.00  0.26           H  
ATOM    370  HA  SER A  27       3.808   5.555  -6.067  1.00  0.32           H  
ATOM    371  HB2 SER A  27       1.599   3.536  -5.926  1.00  0.18           H  
ATOM    372  HB3 SER A  27       1.696   5.128  -5.185  1.00  0.23           H  
ATOM    373  HG  SER A  27       1.633   5.962  -7.383  1.00  0.86           H  
ATOM    374  N   GLY A  28       4.844   2.658  -6.108  1.00  0.38           N  
ATOM    375  CA  GLY A  28       5.536   1.579  -5.357  1.00  0.36           C  
ATOM    376  C   GLY A  28       4.760   0.284  -5.546  1.00  0.37           C  
ATOM    377  O   GLY A  28       4.457  -0.123  -6.651  1.00  0.74           O  
ATOM    378  H   GLY A  28       4.932   2.714  -7.078  1.00  0.61           H  
ATOM    379  HA2 GLY A  28       6.543   1.462  -5.729  1.00  0.37           H  
ATOM    380  HA3 GLY A  28       5.557   1.826  -4.303  1.00  0.33           H  
ATOM    381  N   GLN A  29       4.420  -0.353  -4.472  1.00  0.17           N  
ATOM    382  CA  GLN A  29       3.642  -1.610  -4.560  1.00  0.15           C  
ATOM    383  C   GLN A  29       2.463  -1.495  -3.601  1.00  0.13           C  
ATOM    384  O   GLN A  29       2.559  -0.862  -2.571  1.00  0.18           O  
ATOM    385  CB  GLN A  29       4.529  -2.787  -4.158  1.00  0.18           C  
ATOM    386  CG  GLN A  29       5.516  -3.088  -5.287  1.00  0.24           C  
ATOM    387  CD  GLN A  29       6.429  -4.243  -4.872  1.00  0.74           C  
ATOM    388  OE1 GLN A  29       7.507  -4.024  -4.355  1.00  1.83           O  
ATOM    389  NE2 GLN A  29       6.042  -5.472  -5.077  1.00  0.52           N  
ATOM    390  H   GLN A  29       4.665   0.008  -3.596  1.00  0.42           H  
ATOM    391  HA  GLN A  29       3.281  -1.748  -5.569  1.00  0.16           H  
ATOM    392  HB2 GLN A  29       5.072  -2.534  -3.262  1.00  0.19           H  
ATOM    393  HB3 GLN A  29       3.916  -3.654  -3.977  1.00  0.22           H  
ATOM    394  HG2 GLN A  29       4.970  -3.362  -6.178  1.00  0.70           H  
ATOM    395  HG3 GLN A  29       6.114  -2.212  -5.485  1.00  0.66           H  
ATOM    396 HE21 GLN A  29       5.172  -5.648  -5.494  1.00  1.00           H  
ATOM    397 HE22 GLN A  29       6.620  -6.218  -4.815  1.00  0.87           H  
ATOM    398  N   TRP A  30       1.345  -2.076  -3.926  1.00  0.11           N  
ATOM    399  CA  TRP A  30       0.180  -1.961  -3.013  1.00  0.10           C  
ATOM    400  C   TRP A  30      -0.330  -3.346  -2.634  1.00  0.10           C  
ATOM    401  O   TRP A  30       0.213  -4.356  -3.027  1.00  0.13           O  
ATOM    402  CB  TRP A  30      -0.974  -1.234  -3.695  1.00  0.11           C  
ATOM    403  CG  TRP A  30      -0.519  -0.035  -4.471  1.00  0.10           C  
ATOM    404  CD1 TRP A  30       0.609   0.088  -5.228  1.00  0.11           C  
ATOM    405  CD2 TRP A  30      -1.221   1.220  -4.606  1.00  0.10           C  
ATOM    406  NE1 TRP A  30       0.641   1.346  -5.773  1.00  0.11           N  
ATOM    407  CE2 TRP A  30      -0.463   2.076  -5.430  1.00  0.10           C  
ATOM    408  CE3 TRP A  30      -2.431   1.695  -4.086  1.00  0.12           C  
ATOM    409  CZ2 TRP A  30      -0.888   3.352  -5.734  1.00  0.12           C  
ATOM    410  CZ3 TRP A  30      -2.866   2.983  -4.393  1.00  0.14           C  
ATOM    411  CH2 TRP A  30      -2.094   3.808  -5.217  1.00  0.14           C  
ATOM    412  H   TRP A  30       1.270  -2.573  -4.767  1.00  0.13           H  
ATOM    413  HA  TRP A  30       0.467  -1.423  -2.122  1.00  0.11           H  
ATOM    414  HB2 TRP A  30      -1.473  -1.915  -4.358  1.00  0.12           H  
ATOM    415  HB3 TRP A  30      -1.676  -0.914  -2.938  1.00  0.12           H  
ATOM    416  HD1 TRP A  30       1.360  -0.651  -5.378  1.00  0.13           H  
ATOM    417  HE1 TRP A  30       1.353   1.693  -6.341  1.00  0.13           H  
ATOM    418  HE3 TRP A  30      -3.030   1.061  -3.449  1.00  0.13           H  
ATOM    419  HZ2 TRP A  30      -0.289   3.983  -6.371  1.00  0.13           H  
ATOM    420  HZ3 TRP A  30      -3.798   3.343  -3.993  1.00  0.17           H  
ATOM    421  HH2 TRP A  30      -2.433   4.785  -5.456  1.00  0.16           H  
ATOM    422  N   GLY A  31      -1.401  -3.381  -1.892  1.00  0.09           N  
ATOM    423  CA  GLY A  31      -2.008  -4.676  -1.487  1.00  0.10           C  
ATOM    424  C   GLY A  31      -3.529  -4.529  -1.550  1.00  0.10           C  
ATOM    425  O   GLY A  31      -4.062  -3.451  -1.364  1.00  0.11           O  
ATOM    426  H   GLY A  31      -1.825  -2.542  -1.616  1.00  0.11           H  
ATOM    427  HA2 GLY A  31      -1.685  -5.456  -2.162  1.00  0.11           H  
ATOM    428  HA3 GLY A  31      -1.712  -4.918  -0.478  1.00  0.11           H  
ATOM    429  N   VAL A  32      -4.237  -5.590  -1.814  1.00  0.11           N  
ATOM    430  CA  VAL A  32      -5.721  -5.481  -1.887  1.00  0.12           C  
ATOM    431  C   VAL A  32      -6.340  -6.159  -0.669  1.00  0.14           C  
ATOM    432  O   VAL A  32      -5.988  -7.265  -0.309  1.00  0.20           O  
ATOM    433  CB  VAL A  32      -6.231  -6.141  -3.170  1.00  0.13           C  
ATOM    434  CG1 VAL A  32      -7.729  -6.420  -3.050  1.00  0.14           C  
ATOM    435  CG2 VAL A  32      -5.999  -5.195  -4.345  1.00  0.13           C  
ATOM    436  H   VAL A  32      -3.796  -6.453  -1.965  1.00  0.14           H  
ATOM    437  HA  VAL A  32      -5.998  -4.437  -1.890  1.00  0.11           H  
ATOM    438  HB  VAL A  32      -5.703  -7.066  -3.337  1.00  0.15           H  
ATOM    439 HG11 VAL A  32      -8.118  -5.928  -2.171  1.00  1.01           H  
ATOM    440 HG12 VAL A  32      -8.233  -6.041  -3.928  1.00  1.02           H  
ATOM    441 HG13 VAL A  32      -7.892  -7.484  -2.972  1.00  1.06           H  
ATOM    442 HG21 VAL A  32      -5.959  -4.179  -3.981  1.00  1.04           H  
ATOM    443 HG22 VAL A  32      -5.068  -5.444  -4.827  1.00  1.02           H  
ATOM    444 HG23 VAL A  32      -6.809  -5.292  -5.053  1.00  1.01           H  
ATOM    445  N   GLN A  33      -7.260  -5.496  -0.031  1.00  0.16           N  
ATOM    446  CA  GLN A  33      -7.910  -6.086   1.172  1.00  0.19           C  
ATOM    447  C   GLN A  33      -9.332  -5.537   1.301  1.00  0.17           C  
ATOM    448  O   GLN A  33      -9.558  -4.347   1.201  1.00  0.19           O  
ATOM    449  CB  GLN A  33      -7.104  -5.716   2.420  1.00  0.30           C  
ATOM    450  CG  GLN A  33      -5.816  -6.542   2.462  1.00  0.77           C  
ATOM    451  CD  GLN A  33      -4.893  -5.992   3.551  1.00  0.73           C  
ATOM    452  OE1 GLN A  33      -5.266  -5.931   4.706  1.00  1.86           O  
ATOM    453  NE2 GLN A  33      -3.695  -5.586   3.230  1.00  0.26           N  
ATOM    454  H   GLN A  33      -7.522  -4.604  -0.346  1.00  0.18           H  
ATOM    455  HA  GLN A  33      -7.947  -7.161   1.071  1.00  0.25           H  
ATOM    456  HB2 GLN A  33      -6.857  -4.665   2.390  1.00  0.57           H  
ATOM    457  HB3 GLN A  33      -7.691  -5.924   3.302  1.00  0.55           H  
ATOM    458  HG2 GLN A  33      -6.057  -7.573   2.679  1.00  1.44           H  
ATOM    459  HG3 GLN A  33      -5.318  -6.481   1.507  1.00  1.41           H  
ATOM    460 HE21 GLN A  33      -3.394  -5.635   2.299  1.00  0.97           H  
ATOM    461 HE22 GLN A  33      -3.095  -5.232   3.921  1.00  0.68           H  
ATOM    462  N   ASN A  34     -10.292  -6.392   1.519  1.00  0.26           N  
ATOM    463  CA  ASN A  34     -11.696  -5.915   1.651  1.00  0.36           C  
ATOM    464  C   ASN A  34     -12.170  -5.358   0.307  1.00  0.35           C  
ATOM    465  O   ASN A  34     -13.226  -4.765   0.206  1.00  0.46           O  
ATOM    466  CB  ASN A  34     -11.765  -4.816   2.713  1.00  0.41           C  
ATOM    467  CG  ASN A  34     -12.611  -5.297   3.893  1.00  0.98           C  
ATOM    468  OD1 ASN A  34     -13.334  -6.267   3.781  1.00  1.89           O  
ATOM    469  ND2 ASN A  34     -12.550  -4.656   5.028  1.00  1.37           N  
ATOM    470  H   ASN A  34     -10.089  -7.348   1.595  1.00  0.31           H  
ATOM    471  HA  ASN A  34     -12.331  -6.739   1.943  1.00  0.45           H  
ATOM    472  HB2 ASN A  34     -10.766  -4.584   3.055  1.00  0.70           H  
ATOM    473  HB3 ASN A  34     -12.214  -3.931   2.287  1.00  0.80           H  
ATOM    474 HD21 ASN A  34     -11.967  -3.873   5.118  1.00  1.75           H  
ATOM    475 HD22 ASN A  34     -13.089  -4.956   5.790  1.00  1.82           H  
ATOM    476  N   GLY A  35     -11.396  -5.545  -0.727  1.00  0.28           N  
ATOM    477  CA  GLY A  35     -11.800  -5.028  -2.065  1.00  0.30           C  
ATOM    478  C   GLY A  35     -11.445  -3.544  -2.173  1.00  0.27           C  
ATOM    479  O   GLY A  35     -12.041  -2.808  -2.933  1.00  0.39           O  
ATOM    480  H   GLY A  35     -10.549  -6.027  -0.625  1.00  0.28           H  
ATOM    481  HA2 GLY A  35     -11.281  -5.581  -2.835  1.00  0.31           H  
ATOM    482  HA3 GLY A  35     -12.865  -5.149  -2.191  1.00  0.34           H  
ATOM    483  N   GLN A  36     -10.478  -3.095  -1.419  1.00  0.16           N  
ATOM    484  CA  GLN A  36     -10.092  -1.658  -1.484  1.00  0.16           C  
ATOM    485  C   GLN A  36      -8.577  -1.535  -1.630  1.00  0.14           C  
ATOM    486  O   GLN A  36      -7.820  -2.280  -1.041  1.00  0.14           O  
ATOM    487  CB  GLN A  36     -10.536  -0.951  -0.207  1.00  0.21           C  
ATOM    488  CG  GLN A  36      -9.947  -1.670   1.007  1.00  0.27           C  
ATOM    489  CD  GLN A  36      -9.876  -0.702   2.190  1.00  0.54           C  
ATOM    490  OE1 GLN A  36      -9.305   0.364   2.083  1.00  1.23           O  
ATOM    491  NE2 GLN A  36     -10.437  -1.032   3.321  1.00  1.34           N  
ATOM    492  H   GLN A  36     -10.008  -3.702  -0.810  1.00  0.16           H  
ATOM    493  HA  GLN A  36     -10.573  -1.197  -2.334  1.00  0.18           H  
ATOM    494  HB2 GLN A  36     -10.191   0.073  -0.224  1.00  0.27           H  
ATOM    495  HB3 GLN A  36     -11.610  -0.967  -0.147  1.00  0.20           H  
ATOM    496  HG2 GLN A  36     -10.574  -2.511   1.266  1.00  0.52           H  
ATOM    497  HG3 GLN A  36      -8.954  -2.020   0.771  1.00  0.51           H  
ATOM    498 HE21 GLN A  36     -10.899  -1.892   3.407  1.00  2.03           H  
ATOM    499 HE22 GLN A  36     -10.398  -0.418   4.085  1.00  1.53           H  
ATOM    500  N   TRP A  37      -8.134  -0.599  -2.419  1.00  0.13           N  
ATOM    501  CA  TRP A  37      -6.683  -0.410  -2.628  1.00  0.12           C  
ATOM    502  C   TRP A  37      -6.029   0.290  -1.442  1.00  0.13           C  
ATOM    503  O   TRP A  37      -6.547   1.246  -0.898  1.00  0.17           O  
ATOM    504  CB  TRP A  37      -6.511   0.435  -3.872  1.00  0.12           C  
ATOM    505  CG  TRP A  37      -6.314  -0.448  -5.031  1.00  0.11           C  
ATOM    506  CD1 TRP A  37      -6.913  -0.268  -6.198  1.00  0.12           C  
ATOM    507  CD2 TRP A  37      -5.470  -1.621  -5.163  1.00  0.11           C  
ATOM    508  NE1 TRP A  37      -6.513  -1.248  -7.067  1.00  0.13           N  
ATOM    509  CE2 TRP A  37      -5.615  -2.120  -6.475  1.00  0.12           C  
ATOM    510  CE3 TRP A  37      -4.604  -2.296  -4.285  1.00  0.11           C  
ATOM    511  CZ2 TRP A  37      -4.921  -3.254  -6.903  1.00  0.13           C  
ATOM    512  CZ3 TRP A  37      -3.907  -3.431  -4.713  1.00  0.12           C  
ATOM    513  CH2 TRP A  37      -4.065  -3.909  -6.018  1.00  0.13           C  
ATOM    514  H   TRP A  37      -8.761  -0.014  -2.892  1.00  0.14           H  
ATOM    515  HA  TRP A  37      -6.213  -1.368  -2.784  1.00  0.11           H  
ATOM    516  HB2 TRP A  37      -7.402   1.024  -4.026  1.00  0.13           H  
ATOM    517  HB3 TRP A  37      -5.679   1.084  -3.776  1.00  0.13           H  
ATOM    518  HD1 TRP A  37      -7.593   0.518  -6.412  1.00  0.14           H  
ATOM    519  HE1 TRP A  37      -6.818  -1.325  -7.984  1.00  0.14           H  
ATOM    520  HE3 TRP A  37      -4.473  -1.938  -3.276  1.00  0.11           H  
ATOM    521  HZ2 TRP A  37      -5.043  -3.625  -7.904  1.00  0.14           H  
ATOM    522  HZ3 TRP A  37      -3.246  -3.940  -4.033  1.00  0.13           H  
ATOM    523  HH2 TRP A  37      -3.522  -4.780  -6.340  1.00  0.14           H  
ATOM    524  N   CYS A  38      -4.874  -0.175  -1.058  1.00  0.12           N  
ATOM    525  CA  CYS A  38      -4.147   0.458   0.069  1.00  0.14           C  
ATOM    526  C   CYS A  38      -2.687   0.652  -0.345  1.00  0.14           C  
ATOM    527  O   CYS A  38      -2.129  -0.141  -1.075  1.00  0.15           O  
ATOM    528  CB  CYS A  38      -4.225  -0.439   1.301  1.00  0.14           C  
ATOM    529  SG  CYS A  38      -3.524  -2.058   0.912  1.00  0.14           S  
ATOM    530  H   CYS A  38      -4.475  -0.939  -1.529  1.00  0.11           H  
ATOM    531  HA  CYS A  38      -4.590   1.419   0.291  1.00  0.16           H  
ATOM    532  HB2 CYS A  38      -3.669   0.010   2.106  1.00  0.15           H  
ATOM    533  HB3 CYS A  38      -5.255  -0.552   1.596  1.00  0.16           H  
ATOM    534  N   GLY A  39      -2.072   1.708   0.099  1.00  0.19           N  
ATOM    535  CA  GLY A  39      -0.654   1.966  -0.286  1.00  0.19           C  
ATOM    536  C   GLY A  39       0.294   1.196   0.630  1.00  0.20           C  
ATOM    537  O   GLY A  39       0.278   1.356   1.835  1.00  0.25           O  
ATOM    538  H   GLY A  39      -2.547   2.339   0.677  1.00  0.24           H  
ATOM    539  HA2 GLY A  39      -0.496   1.651  -1.308  1.00  0.18           H  
ATOM    540  HA3 GLY A  39      -0.447   3.021  -0.202  1.00  0.23           H  
ATOM    541  N   ILE A  40       1.131   0.369   0.066  1.00  0.21           N  
ATOM    542  CA  ILE A  40       2.090  -0.401   0.900  1.00  0.23           C  
ATOM    543  C   ILE A  40       3.376   0.409   1.051  1.00  0.20           C  
ATOM    544  O   ILE A  40       4.049   0.713   0.086  1.00  0.37           O  
ATOM    545  CB  ILE A  40       2.395  -1.736   0.223  1.00  0.30           C  
ATOM    546  CG1 ILE A  40       1.183  -2.654   0.369  1.00  0.42           C  
ATOM    547  CG2 ILE A  40       3.618  -2.389   0.875  1.00  0.28           C  
ATOM    548  CD1 ILE A  40       1.590  -4.087   0.044  1.00  0.20           C  
ATOM    549  H   ILE A  40       1.134   0.261  -0.908  1.00  0.25           H  
ATOM    550  HA  ILE A  40       1.660  -0.579   1.874  1.00  0.26           H  
ATOM    551  HB  ILE A  40       2.596  -1.570  -0.823  1.00  0.35           H  
ATOM    552 HG12 ILE A  40       0.813  -2.604   1.383  1.00  0.60           H  
ATOM    553 HG13 ILE A  40       0.409  -2.339  -0.315  1.00  0.65           H  
ATOM    554 HG21 ILE A  40       4.212  -1.635   1.368  1.00  1.00           H  
ATOM    555 HG22 ILE A  40       3.292  -3.120   1.598  1.00  1.00           H  
ATOM    556 HG23 ILE A  40       4.213  -2.874   0.113  1.00  1.05           H  
ATOM    557 HD11 ILE A  40       2.588  -4.088  -0.364  1.00  0.99           H  
ATOM    558 HD12 ILE A  40       1.568  -4.681   0.945  1.00  1.04           H  
ATOM    559 HD13 ILE A  40       0.904  -4.501  -0.680  1.00  1.07           H  
ATOM    560  N   ASP A  41       3.719   0.760   2.255  1.00  0.19           N  
ATOM    561  CA  ASP A  41       4.960   1.554   2.473  1.00  0.20           C  
ATOM    562  C   ASP A  41       5.832   0.852   3.512  1.00  0.18           C  
ATOM    563  O   ASP A  41       5.354   0.400   4.533  1.00  0.19           O  
ATOM    564  CB  ASP A  41       4.592   2.952   2.975  1.00  0.22           C  
ATOM    565  CG  ASP A  41       5.860   3.691   3.406  1.00  0.49           C  
ATOM    566  OD1 ASP A  41       6.865   3.548   2.728  1.00  1.18           O  
ATOM    567  OD2 ASP A  41       5.805   4.386   4.407  1.00  1.27           O  
ATOM    568  H   ASP A  41       3.158   0.501   3.016  1.00  0.34           H  
ATOM    569  HA  ASP A  41       5.503   1.636   1.543  1.00  0.26           H  
ATOM    570  HB2 ASP A  41       4.106   3.502   2.181  1.00  0.30           H  
ATOM    571  HB3 ASP A  41       3.922   2.868   3.817  1.00  0.33           H  
ATOM    572  N   TYR A  42       7.108   0.754   3.262  1.00  0.19           N  
ATOM    573  CA  TYR A  42       8.004   0.084   4.228  1.00  0.24           C  
ATOM    574  C   TYR A  42       8.183   0.972   5.460  1.00  0.25           C  
ATOM    575  O   TYR A  42       8.491   0.502   6.537  1.00  0.36           O  
ATOM    576  CB  TYR A  42       9.345  -0.152   3.549  1.00  0.28           C  
ATOM    577  CG  TYR A  42       9.338  -1.504   2.886  1.00  0.34           C  
ATOM    578  CD1 TYR A  42       9.102  -2.652   3.650  1.00  1.21           C  
ATOM    579  CD2 TYR A  42       9.566  -1.611   1.511  1.00  1.31           C  
ATOM    580  CE1 TYR A  42       9.095  -3.908   3.039  1.00  1.23           C  
ATOM    581  CE2 TYR A  42       9.559  -2.869   0.898  1.00  1.34           C  
ATOM    582  CZ  TYR A  42       9.323  -4.019   1.662  1.00  0.50           C  
ATOM    583  OH  TYR A  42       9.316  -5.259   1.057  1.00  0.58           O  
ATOM    584  H   TYR A  42       7.483   1.121   2.437  1.00  0.19           H  
ATOM    585  HA  TYR A  42       7.576  -0.863   4.522  1.00  0.26           H  
ATOM    586  HB2 TYR A  42       9.512   0.613   2.805  1.00  0.25           H  
ATOM    587  HB3 TYR A  42      10.123  -0.115   4.278  1.00  0.32           H  
ATOM    588  HD1 TYR A  42       8.926  -2.567   4.712  1.00  2.10           H  
ATOM    589  HD2 TYR A  42       9.747  -0.724   0.923  1.00  2.21           H  
ATOM    590  HE1 TYR A  42       8.912  -4.792   3.629  1.00  2.12           H  
ATOM    591  HE2 TYR A  42       9.735  -2.952  -0.163  1.00  2.25           H  
ATOM    592  HH  TYR A  42       9.504  -5.918   1.730  1.00  1.01           H  
ATOM    593  N   SER A  43       7.981   2.252   5.312  1.00  0.23           N  
ATOM    594  CA  SER A  43       8.127   3.169   6.476  1.00  0.28           C  
ATOM    595  C   SER A  43       6.775   3.293   7.182  1.00  0.30           C  
ATOM    596  O   SER A  43       6.682   3.784   8.290  1.00  0.44           O  
ATOM    597  CB  SER A  43       8.579   4.546   5.990  1.00  0.29           C  
ATOM    598  OG  SER A  43       9.999   4.582   5.937  1.00  1.12           O  
ATOM    599  H   SER A  43       7.724   2.610   4.436  1.00  0.27           H  
ATOM    600  HA  SER A  43       8.858   2.768   7.163  1.00  0.32           H  
ATOM    601  HB2 SER A  43       8.183   4.731   5.005  1.00  0.84           H  
ATOM    602  HB3 SER A  43       8.214   5.305   6.670  1.00  0.92           H  
ATOM    603  HG  SER A  43      10.265   5.477   5.713  1.00  1.57           H  
ATOM    604  N   TYR A  44       5.727   2.848   6.545  1.00  0.21           N  
ATOM    605  CA  TYR A  44       4.378   2.932   7.165  1.00  0.25           C  
ATOM    606  C   TYR A  44       4.264   1.883   8.276  1.00  0.34           C  
ATOM    607  O   TYR A  44       5.069   0.978   8.373  1.00  0.68           O  
ATOM    608  CB  TYR A  44       3.322   2.667   6.088  1.00  0.23           C  
ATOM    609  CG  TYR A  44       2.049   2.170   6.725  1.00  0.26           C  
ATOM    610  CD1 TYR A  44       1.081   3.081   7.162  1.00  1.19           C  
ATOM    611  CD2 TYR A  44       1.838   0.796   6.877  1.00  1.25           C  
ATOM    612  CE1 TYR A  44      -0.100   2.616   7.751  1.00  1.20           C  
ATOM    613  CE2 TYR A  44       0.658   0.331   7.466  1.00  1.27           C  
ATOM    614  CZ  TYR A  44      -0.312   1.241   7.904  1.00  0.36           C  
ATOM    615  OH  TYR A  44      -1.476   0.782   8.485  1.00  0.42           O  
ATOM    616  H   TYR A  44       5.826   2.456   5.653  1.00  0.21           H  
ATOM    617  HA  TYR A  44       4.231   3.917   7.581  1.00  0.35           H  
ATOM    618  HB2 TYR A  44       3.124   3.580   5.549  1.00  0.33           H  
ATOM    619  HB3 TYR A  44       3.692   1.919   5.402  1.00  0.26           H  
ATOM    620  HD1 TYR A  44       1.245   4.142   7.044  1.00  2.10           H  
ATOM    621  HD2 TYR A  44       2.585   0.093   6.538  1.00  2.16           H  
ATOM    622  HE1 TYR A  44      -0.847   3.319   8.088  1.00  2.10           H  
ATOM    623  HE2 TYR A  44       0.498  -0.729   7.582  1.00  2.18           H  
ATOM    624  HH  TYR A  44      -2.060   1.533   8.613  1.00  0.95           H  
ATOM    625  N   GLY A  45       3.270   1.999   9.114  1.00  0.97           N  
ATOM    626  CA  GLY A  45       3.107   1.009  10.216  1.00  1.15           C  
ATOM    627  C   GLY A  45       3.967   1.425  11.410  1.00  1.62           C  
ATOM    628  O   GLY A  45       4.305   0.620  12.255  1.00  2.06           O  
ATOM    629  H   GLY A  45       2.632   2.736   9.018  1.00  1.45           H  
ATOM    630  HA2 GLY A  45       2.068   0.971  10.513  1.00  1.29           H  
ATOM    631  HA3 GLY A  45       3.420   0.034   9.874  1.00  1.41           H  
ATOM    632  N   GLN A  46       4.324   2.678  11.489  1.00  1.98           N  
ATOM    633  CA  GLN A  46       5.162   3.144  12.629  1.00  2.80           C  
ATOM    634  C   GLN A  46       4.299   3.954  13.599  1.00  3.42           C  
ATOM    635  O   GLN A  46       3.664   4.894  13.151  1.00  4.00           O  
ATOM    636  CB  GLN A  46       6.298   4.022  12.102  1.00  3.28           C  
ATOM    637  CG  GLN A  46       7.548   3.808  12.958  1.00  3.74           C  
ATOM    638  CD  GLN A  46       8.306   5.130  13.094  1.00  4.53           C  
ATOM    639  OE1 GLN A  46       8.663   5.529  14.185  1.00  4.81           O  
ATOM    640  NE2 GLN A  46       8.568   5.831  12.025  1.00  5.26           N  
ATOM    641  OXT GLN A  46       4.288   3.620  14.772  1.00  3.79           O  
ATOM    642  H   GLN A  46       4.041   3.312  10.797  1.00  1.93           H  
ATOM    643  HA  GLN A  46       5.576   2.289  13.144  1.00  3.10           H  
ATOM    644  HB2 GLN A  46       6.513   3.755  11.077  1.00  3.31           H  
ATOM    645  HB3 GLN A  46       6.004   5.059  12.150  1.00  3.84           H  
ATOM    646  HG2 GLN A  46       7.257   3.455  13.937  1.00  3.90           H  
ATOM    647  HG3 GLN A  46       8.187   3.076  12.486  1.00  3.92           H  
ATOM    648 HE21 GLN A  46       8.280   5.510  11.146  1.00  5.36           H  
ATOM    649 HE22 GLN A  46       9.053   6.679  12.103  1.00  5.90           H  
TER     650      GLN A  46                                                      
CONECT   29  160                                                                
CONECT  160   29                                                                
CONECT  170  529                                                                
CONECT  529  170                                                                
MASTER       98    0    0    2    3    0    0    6  353    1    4    4          
END