HEADER    VIRAL PROTEIN                           01-FEB-07   2JNR              
TITLE     DISCOVERY AND OPTIMIZATION OF A NATURAL HIV-1 ENTRY INHIBITOR         
TITLE    2 TARGETING THE GP41 FUSION PEPTIDE                                    
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: VIR165;                                                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 MOL_ID: 2;                                                           
COMPND   6 MOLECULE: ENV POLYPROTEIN;                                           
COMPND   7 CHAIN: B;                                                            
COMPND   8 SYNONYM: FP1-23;                                                     
COMPND   9 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE   4 ORGANISM_TAXID: 32630;                                               
SOURCE   5 OTHER_DETAILS: VIR-165 IS A MODIFIED FORM OF THE VIRUS-INHIBITORY    
SOURCE   6 PEPTIDE (VIRIP) WHICH NATURALLY OCCURS IN HUMAN PLASMA.;             
SOURCE   7 MOL_ID: 2;                                                           
SOURCE   8 SYNTHETIC: YES;                                                      
SOURCE   9 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE  10 ORGANISM_TAXID: 32630                                                
KEYWDS    PEPTIDE COMPLEX, VIRAL PROTEIN                                        
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    J.MUNCH,L.STANDKER,K.ADERMANN,A.SCHULZ,S.POHLMANN,C.CHAIPAN,T.BIET,   
AUTHOR   2 T.PETERS,B.MEYER,D.WILHELM,H.LU,W.JING,S.JIANG,W.FORSSMANN,          
AUTHOR   3 F.KIRCHHOFF                                                          
REVDAT   4   20-DEC-23 2JNR    1       REMARK                                   
REVDAT   3   20-OCT-21 2JNR    1       SOURCE REMARK SEQADV                     
REVDAT   2   24-FEB-09 2JNR    1       VERSN                                    
REVDAT   1   08-MAY-07 2JNR    0                                                
JRNL        AUTH   J.MUNCH,L.STANDKER,K.ADERMANN,A.SCHULZ,M.SCHINDLER,          
JRNL        AUTH 2 R.CHINNADURAI,S.POHLMANN,C.CHAIPAN,T.BIET,T.PETERS,B.MEYER,  
JRNL        AUTH 3 D.WILHELM,H.LU,W.JING,S.JIANG,W.G.FORSSMANN,F.KIRCHHOFF      
JRNL        TITL   DISCOVERY AND OPTIMIZATION OF A NATURAL HIV-1 ENTRY          
JRNL        TITL 2 INHIBITOR TARGETING THE GP41 FUSION PEPTIDE.                 
JRNL        REF    CELL(CAMBRIDGE,MASS.)         V. 129   263 2007              
JRNL        REFN                   ISSN 0092-8674                               
JRNL        PMID   17448989                                                     
JRNL        DOI    10.1016/J.CELL.2007.02.042                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : SYBYL                                                
REMARK   3   AUTHORS     : TRIPOS                                               
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2JNR COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-FEB-07.                  
REMARK 100 THE DEPOSITION ID IS D_1000100063.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 4.7                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.75 MM VIR165, 0.75 MM FP1-23,    
REMARK 210                                   3%DMSO ADDED, 90% H2O/10% D2O      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 2D DQF-COSY; 2D    
REMARK 210                                   1H-1H TOCSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ; 500 MHZ; 250 MHZ          
REMARK 210  SPECTROMETER MODEL             : DRX; DPX                           
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1                                  
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : ALL CALCULATED STRUCTURES          
REMARK 210                                   SUBMITTED                          
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU A   2   CD    GLU A   2   OE1     0.124                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    PHE A  14   CB  -  CG  -  CD1 ANGL. DEV. =  -5.0 DEGREES          
REMARK 500    VAL A  19   CB  -  CA  -  C   ANGL. DEV. = -13.0 DEGREES          
REMARK 500    PHE B 108   CG  -  CD2 -  CE2 ANGL. DEV. =   8.4 DEGREES          
REMARK 500    PHE B 108   CZ  -  CE2 -  CD2 ANGL. DEV. =  -8.8 DEGREES          
REMARK 500    LEU B 109   CA  -  C   -  N   ANGL. DEV. =  12.2 DEGREES          
REMARK 500    PHE B 111   CB  -  CG  -  CD2 ANGL. DEV. =  -4.4 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ILE A   4      110.84   -160.70                                   
REMARK 500    PRO A   5       34.56    -83.87                                   
REMARK 500    CYS A   6      -92.15   -168.27                                   
REMARK 500    SER A   7      -47.27     93.54                                   
REMARK 500    ILE A   8      -82.20    -95.00                                   
REMARK 500    PRO A  10       94.80    -62.45                                   
REMARK 500    PHE A  12       59.66   -148.81                                   
REMARK 500    ALA A  13      -46.54     91.12                                   
REMARK 500    PHE A  14       39.19   -150.88                                   
REMARK 500    ASN A  15      -65.53    -99.11                                   
REMARK 500    LYS A  16       71.48     44.59                                   
REMARK 500    PHE A  18       82.92   -156.33                                   
REMARK 500    LEU B 107       48.37    -87.13                                   
REMARK 500    PHE B 108       91.35     13.77                                   
REMARK 500    LEU B 109      -35.80     71.52                                   
REMARK 500    ALA B 114       40.91   -159.17                                   
REMARK 500    ALA B 115      -43.32   -166.25                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    PHE A  14         0.08    SIDE CHAIN                              
REMARK 500    PHE A  18         0.09    SIDE CHAIN                              
REMARK 500    PHE B 108         0.08    SIDE CHAIN                              
REMARK 500    PHE B 111         0.10    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 THE AUTHOR STATES THAT VIR-165 IS A MODIFIED FORM OF                 
REMARK 999 VIRUS-INHIBITORY PEPTIDE, VIRIP WHICH CORRESPONDS EXACTLY            
REMARK 999 TO RESIDUES 353-372 OF HUMAN ALPHA1-ANTITRYPSIN (UNP                 
REMARK 999 ENTRY P01009).  VIR-165 (LEAIPCSIPPCFAFNKPFVF) DIFFERS               
REMARK 999 FROM VIRIP (LEAIPMSIPPEVKFNKPFVF) BY THREE AMINO ACID                
REMARK 999 CHANGES THAT ENHANCE ITS ABILITY TO INHIBIT INFECTION BY             
REMARK 999 HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1).                         
DBREF  2JNR B  101   123  UNP    Q72502   Q72502_9HIV1   510    532             
DBREF  2JNR A    1    20  PDB    2JNR     2JNR             1     20             
SEQADV 2JNR ARG B  122  UNP  Q72502    ALA   531 ENGINEERED MUTATION            
SEQRES   1 A   20  LEU GLU ALA ILE PRO CYS SER ILE PRO PRO CYS PHE ALA          
SEQRES   2 A   20  PHE ASN LYS PRO PHE VAL PHE                                  
SEQRES   1 B   23  ALA VAL GLY ILE GLY ALA LEU PHE LEU GLY PHE LEU GLY          
SEQRES   2 B   23  ALA ALA GLY SER THR MET GLY ALA ARG SER                      
SSBOND   1 CYS A    6    CYS A   11                          1555   1555  2.03  
CISPEP   1 PHE A   18    VAL A   19          0        -0.80                     
CISPEP   2 GLY B  113    ALA B  114          0        16.87                     
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   LEU A   1     -13.317  -7.655   6.604  1.00 -0.38           N  
ATOM      2  CA  LEU A   1     -12.926  -6.715   7.605  1.00  0.09           C  
ATOM      3  C   LEU A   1     -11.420  -6.786   7.862  1.00  0.23           C  
ATOM      4  O   LEU A   1     -10.799  -5.814   7.497  1.00 -0.27           O  
ATOM      5  CB  LEU A   1     -13.774  -7.085   8.849  1.00 -0.02           C  
ATOM      6  CG  LEU A   1     -13.815  -6.167  10.078  1.00 -0.04           C  
ATOM      7  CD1 LEU A   1     -14.848  -6.808  11.065  1.00 -0.06           C  
ATOM      8  CD2 LEU A   1     -12.403  -5.986  10.829  1.00 -0.06           C  
ATOM      9  H1  LEU A   1     -13.227  -7.408   5.669  1.00  0.14           H  
ATOM     10  H2  LEU A   1     -13.431  -8.632   6.857  1.00  0.14           H  
ATOM     11  HA  LEU A   1     -13.112  -5.654   7.385  1.00  0.06           H  
ATOM     12  HB2 LEU A   1     -14.762  -7.068   8.458  1.00  0.03           H  
ATOM     13  HB3 LEU A   1     -13.435  -8.069   9.193  1.00  0.03           H  
ATOM     14  HG  LEU A   1     -14.216  -5.178   9.782  1.00  0.03           H  
ATOM     15 HD11 LEU A   1     -15.797  -6.984  10.681  1.00  0.02           H  
ATOM     16 HD12 LEU A   1     -14.509  -7.796  11.398  1.00  0.02           H  
ATOM     17 HD13 LEU A   1     -14.902  -6.093  11.856  1.00  0.02           H  
ATOM     18 HD21 LEU A   1     -11.651  -5.517  10.179  1.00  0.02           H  
ATOM     19 HD22 LEU A   1     -12.640  -5.429  11.740  1.00  0.02           H  
ATOM     20 HD23 LEU A   1     -11.997  -6.972  11.128  1.00  0.02           H  
ATOM     21  N   GLU A   2     -10.855  -7.952   8.287  1.00 -0.30           N  
ATOM     22  CA  GLU A   2      -9.445  -8.071   8.250  1.00  0.10           C  
ATOM     23  C   GLU A   2      -8.910  -8.282   6.923  1.00  0.23           C  
ATOM     24  O   GLU A   2      -7.963  -7.603   6.532  1.00 -0.27           O  
ATOM     25  CB  GLU A   2      -8.933  -9.214   9.136  1.00 -0.02           C  
ATOM     26  CG  GLU A   2      -7.355  -9.312   9.290  1.00  0.00           C  
ATOM     27  CD  GLU A   2      -6.575  -8.129   9.857  1.00  0.10           C  
ATOM     28  OE1 GLU A   2      -5.664  -7.479   9.056  1.00 -0.36           O  
ATOM     29  OE2 GLU A   2      -6.851  -7.766  10.997  1.00 -0.53           O  
ATOM     30  H   GLU A   2     -11.393  -8.770   8.607  1.00  0.15           H  
ATOM     31  HA  GLU A   2      -9.028  -7.168   8.626  1.00  0.06           H  
ATOM     32  HB2 GLU A   2      -9.441  -9.038  10.056  1.00  0.03           H  
ATOM     33  HB3 GLU A   2      -9.296 -10.195   8.755  1.00  0.03           H  
ATOM     34  HG2 GLU A   2      -7.140 -10.162   9.865  1.00  0.03           H  
ATOM     35  HG3 GLU A   2      -6.809  -9.444   8.333  1.00  0.03           H  
ATOM     36  HE2 GLU A   2      -5.240  -6.743   9.492  1.00  0.22           H  
ATOM     37  N   ALA A   3      -9.597  -9.137   6.159  1.00 -0.30           N  
ATOM     38  CA  ALA A   3      -9.319  -9.453   4.739  1.00  0.10           C  
ATOM     39  C   ALA A   3      -9.185  -8.213   3.848  1.00  0.23           C  
ATOM     40  O   ALA A   3      -8.223  -7.999   3.142  1.00 -0.27           O  
ATOM     41  CB  ALA A   3     -10.468 -10.282   4.048  1.00 -0.04           C  
ATOM     42  H   ALA A   3     -10.406  -9.562   6.495  1.00  0.15           H  
ATOM     43  HA  ALA A   3      -8.410 -10.113   4.709  1.00  0.06           H  
ATOM     44  HB1 ALA A   3     -11.515  -9.939   4.208  1.00  0.03           H  
ATOM     45  HB2 ALA A   3     -10.324 -10.348   2.946  1.00  0.03           H  
ATOM     46  HB3 ALA A   3     -10.344 -11.296   4.375  1.00  0.03           H  
ATOM     47  N   ILE A   4     -10.212  -7.318   3.972  1.00 -0.30           N  
ATOM     48  CA  ILE A   4     -10.309  -6.078   3.192  1.00  0.10           C  
ATOM     49  C   ILE A   4     -11.247  -5.063   3.823  1.00  0.24           C  
ATOM     50  O   ILE A   4     -12.421  -5.457   3.798  1.00 -0.27           O  
ATOM     51  CB  ILE A   4     -10.551  -6.245   1.694  1.00 -0.02           C  
ATOM     52  CG1 ILE A   4     -10.362  -4.865   0.904  1.00 -0.05           C  
ATOM     53  CG2 ILE A   4     -11.793  -7.071   1.310  1.00 -0.06           C  
ATOM     54  CD1 ILE A   4     -10.865  -4.991  -0.607  1.00 -0.07           C  
ATOM     55  H   ILE A   4     -10.974  -7.454   4.645  1.00  0.15           H  
ATOM     56  HA  ILE A   4      -9.257  -5.706   3.143  1.00  0.06           H  
ATOM     57  HB  ILE A   4      -9.674  -6.782   1.269  1.00  0.03           H  
ATOM     58 HG12 ILE A   4     -10.890  -4.040   1.489  1.00  0.03           H  
ATOM     59 HG13 ILE A   4      -9.314  -4.512   0.925  1.00  0.03           H  
ATOM     60 HG21 ILE A   4     -11.812  -7.504   0.249  1.00  0.02           H  
ATOM     61 HG22 ILE A   4     -11.973  -7.899   1.997  1.00  0.02           H  
ATOM     62 HG23 ILE A   4     -12.597  -6.425   1.416  1.00  0.02           H  
ATOM     63 HD11 ILE A   4     -10.748  -4.092  -1.256  1.00  0.02           H  
ATOM     64 HD12 ILE A   4     -10.303  -5.871  -0.982  1.00  0.02           H  
ATOM     65 HD13 ILE A   4     -11.948  -5.179  -0.502  1.00  0.02           H  
ATOM     66  N   PRO A   5     -10.859  -3.882   4.392  1.00 -0.29           N  
ATOM     67  CA  PRO A   5     -11.819  -3.047   5.048  1.00  0.10           C  
ATOM     68  C   PRO A   5     -12.625  -2.110   4.222  1.00  0.23           C  
ATOM     69  O   PRO A   5     -12.949  -1.019   4.694  1.00 -0.27           O  
ATOM     70  CB  PRO A   5     -10.864  -2.410   6.074  1.00 -0.02           C  
ATOM     71  CG  PRO A   5      -9.473  -2.254   5.434  1.00 -0.04           C  
ATOM     72  CD  PRO A   5      -9.425  -3.437   4.430  1.00  0.02           C  
ATOM     73  HA  PRO A   5     -12.697  -3.473   5.612  1.00  0.06           H  
ATOM     74  HB2 PRO A   5     -11.063  -1.483   6.656  1.00  0.03           H  
ATOM     75  HB3 PRO A   5     -10.819  -3.199   6.880  1.00  0.03           H  
ATOM     76  HG2 PRO A   5      -9.508  -1.333   4.797  1.00  0.03           H  
ATOM     77  HG3 PRO A   5      -8.631  -2.164   6.128  1.00  0.03           H  
ATOM     78  HD2 PRO A   5      -9.045  -3.274   3.428  1.00  0.05           H  
ATOM     79  HD3 PRO A   5      -8.910  -4.198   4.989  1.00  0.05           H  
ATOM     80  N   CYS A   6     -13.014  -2.460   2.950  1.00 -0.30           N  
ATOM     81  CA  CYS A   6     -13.546  -1.380   2.050  1.00  0.11           C  
ATOM     82  C   CYS A   6     -14.185  -2.014   0.811  1.00  0.23           C  
ATOM     83  O   CYS A   6     -15.379  -2.233   0.992  1.00 -0.27           O  
ATOM     84  CB  CYS A   6     -12.303  -0.538   1.588  1.00  0.03           C  
ATOM     85  SG  CYS A   6     -11.392   0.420   2.793  1.00 -0.09           S  
ATOM     86  H   CYS A   6     -12.652  -3.347   2.511  1.00  0.15           H  
ATOM     87  HA  CYS A   6     -14.364  -0.799   2.553  1.00  0.06           H  
ATOM     88  HB2 CYS A   6     -11.532  -1.281   1.250  1.00  0.04           H  
ATOM     89  HB3 CYS A   6     -12.606   0.085   0.748  1.00  0.04           H  
ATOM     90  N   SER A   7     -13.504  -2.242  -0.353  1.00 -0.30           N  
ATOM     91  CA  SER A   7     -14.184  -2.710  -1.546  1.00  0.12           C  
ATOM     92  C   SER A   7     -14.568  -1.518  -2.394  1.00  0.24           C  
ATOM     93  O   SER A   7     -14.357  -1.520  -3.626  1.00 -0.27           O  
ATOM     94  CB  SER A   7     -15.210  -3.864  -1.304  1.00  0.07           C  
ATOM     95  OG  SER A   7     -14.475  -4.859  -0.618  1.00 -0.39           O  
ATOM     96  H   SER A   7     -12.534  -2.089  -0.434  1.00  0.15           H  
ATOM     97  HA  SER A   7     -13.479  -3.316  -2.143  1.00  0.06           H  
ATOM     98  HB2 SER A   7     -16.174  -3.426  -0.870  1.00  0.06           H  
ATOM     99  HB3 SER A   7     -15.573  -4.332  -2.188  1.00  0.06           H  
ATOM    100  HG  SER A   7     -14.316  -4.646   0.280  1.00  0.21           H  
ATOM    101  N   ILE A   8     -15.156  -0.462  -1.864  1.00 -0.30           N  
ATOM    102  CA  ILE A   8     -15.548   0.684  -2.651  1.00  0.10           C  
ATOM    103  C   ILE A   8     -14.444   1.725  -2.583  1.00  0.24           C  
ATOM    104  O   ILE A   8     -13.772   1.775  -3.583  1.00 -0.27           O  
ATOM    105  CB  ILE A   8     -16.941   1.023  -2.174  1.00 -0.02           C  
ATOM    106  CG1 ILE A   8     -17.975  -0.161  -2.514  1.00 -0.05           C  
ATOM    107  CG2 ILE A   8     -17.579   2.338  -2.774  1.00 -0.06           C  
ATOM    108  CD1 ILE A   8     -19.296  -0.128  -1.808  1.00 -0.07           C  
ATOM    109  H   ILE A   8     -15.258  -0.408  -0.871  1.00  0.15           H  
ATOM    110  HA  ILE A   8     -15.712   0.488  -3.680  1.00  0.06           H  
ATOM    111  HB  ILE A   8     -16.986   1.207  -1.067  1.00  0.03           H  
ATOM    112 HG12 ILE A   8     -18.090  -0.274  -3.606  1.00  0.03           H  
ATOM    113 HG13 ILE A   8     -17.524  -1.139  -2.213  1.00  0.03           H  
ATOM    114 HG21 ILE A   8     -16.911   3.141  -2.412  1.00  0.02           H  
ATOM    115 HG22 ILE A   8     -17.553   2.341  -3.808  1.00  0.02           H  
ATOM    116 HG23 ILE A   8     -18.596   2.590  -2.436  1.00  0.02           H  
ATOM    117 HD11 ILE A   8     -19.202  -0.360  -0.767  1.00  0.02           H  
ATOM    118 HD12 ILE A   8     -19.823   0.770  -1.970  1.00  0.02           H  
ATOM    119 HD13 ILE A   8     -19.807  -0.935  -2.231  1.00  0.02           H  
ATOM    120  N   PRO A   9     -14.208   2.641  -1.615  1.00 -0.29           N  
ATOM    121  CA  PRO A   9     -13.235   3.743  -1.878  1.00  0.10           C  
ATOM    122  C   PRO A   9     -11.871   3.208  -2.219  1.00  0.24           C  
ATOM    123  O   PRO A   9     -11.556   2.060  -1.919  1.00 -0.27           O  
ATOM    124  CB  PRO A   9     -13.406   4.508  -0.553  1.00 -0.02           C  
ATOM    125  CG  PRO A   9     -13.622   3.350   0.400  1.00 -0.04           C  
ATOM    126  CD  PRO A   9     -14.700   2.503  -0.272  1.00  0.02           C  
ATOM    127  HA  PRO A   9     -13.612   4.338  -2.703  1.00  0.06           H  
ATOM    128  HB2 PRO A   9     -12.513   5.108  -0.150  1.00  0.03           H  
ATOM    129  HB3 PRO A   9     -14.292   5.246  -0.533  1.00  0.03           H  
ATOM    130  HG2 PRO A   9     -12.711   2.854   0.586  1.00  0.03           H  
ATOM    131  HG3 PRO A   9     -14.101   3.750   1.315  1.00  0.03           H  
ATOM    132  HD2 PRO A   9     -14.686   1.465   0.060  1.00  0.05           H  
ATOM    133  HD3 PRO A   9     -15.722   2.938  -0.235  1.00  0.05           H  
ATOM    134  N   PRO A  10     -10.895   3.925  -2.827  1.00 -0.29           N  
ATOM    135  CA  PRO A  10      -9.649   3.365  -3.211  1.00  0.10           C  
ATOM    136  C   PRO A  10      -8.884   2.869  -2.005  1.00  0.23           C  
ATOM    137  O   PRO A  10      -8.300   3.721  -1.347  1.00 -0.27           O  
ATOM    138  CB  PRO A  10      -8.882   4.590  -3.786  1.00 -0.02           C  
ATOM    139  CG  PRO A  10      -9.661   5.851  -3.279  1.00 -0.04           C  
ATOM    140  CD  PRO A  10     -11.126   5.339  -3.054  1.00  0.02           C  
ATOM    141  HA  PRO A  10      -9.775   2.570  -4.013  1.00  0.06           H  
ATOM    142  HB2 PRO A  10      -7.817   4.539  -3.653  1.00  0.03           H  
ATOM    143  HB3 PRO A  10      -9.062   4.474  -4.841  1.00  0.03           H  
ATOM    144  HG2 PRO A  10      -9.258   6.324  -2.301  1.00  0.03           H  
ATOM    145  HG3 PRO A  10      -9.471   6.751  -4.014  1.00  0.03           H  
ATOM    146  HD2 PRO A  10     -11.734   5.944  -2.371  1.00  0.05           H  
ATOM    147  HD3 PRO A  10     -11.707   5.450  -4.005  1.00  0.05           H  
ATOM    148  N   CYS A  11      -8.968   1.557  -1.622  1.00 -0.30           N  
ATOM    149  CA  CYS A  11      -8.361   0.921  -0.426  1.00  0.11           C  
ATOM    150  C   CYS A  11      -7.386  -0.157  -0.869  1.00  0.23           C  
ATOM    151  O   CYS A  11      -7.562  -0.571  -2.003  1.00 -0.27           O  
ATOM    152  CB  CYS A  11      -9.454   0.261   0.505  1.00  0.03           C  
ATOM    153  SG  CYS A  11     -10.316   1.527   1.469  1.00 -0.09           S  
ATOM    154  H   CYS A  11      -9.595   0.905  -2.104  1.00  0.15           H  
ATOM    155  HA  CYS A  11      -7.983   1.721   0.260  1.00  0.06           H  
ATOM    156  HB2 CYS A  11     -10.046  -0.468  -0.095  1.00  0.04           H  
ATOM    157  HB3 CYS A  11      -8.902  -0.317   1.257  1.00  0.04           H  
ATOM    158  N   PHE A  12      -6.380  -0.614  -0.037  1.00 -0.30           N  
ATOM    159  CA  PHE A  12      -5.465  -1.596  -0.517  1.00  0.10           C  
ATOM    160  C   PHE A  12      -5.092  -2.388   0.707  1.00  0.23           C  
ATOM    161  O   PHE A  12      -3.895  -2.497   0.901  1.00 -0.27           O  
ATOM    162  CB  PHE A  12      -4.255  -0.913  -1.242  1.00  0.00           C  
ATOM    163  CG  PHE A  12      -4.768  -0.194  -2.506  1.00 -0.05           C  
ATOM    164  CD1 PHE A  12      -4.959  -0.894  -3.678  1.00 -0.06           C  
ATOM    165  CD2 PHE A  12      -5.047   1.183  -2.547  1.00 -0.06           C  
ATOM    166  CE1 PHE A  12      -5.424  -0.261  -4.853  1.00 -0.06           C  
ATOM    167  CE2 PHE A  12      -5.429   1.860  -3.715  1.00 -0.06           C  
ATOM    168  CZ  PHE A  12      -5.716   1.068  -4.823  1.00 -0.06           C  
ATOM    169  H   PHE A  12      -6.139  -0.102   0.830  1.00  0.15           H  
ATOM    170  HA  PHE A  12      -6.095  -2.183  -1.224  1.00  0.06           H  
ATOM    171  HB2 PHE A  12      -3.747  -0.166  -0.671  1.00  0.03           H  
ATOM    172  HB3 PHE A  12      -3.429  -1.698  -1.465  1.00  0.03           H  
ATOM    173  HD1 PHE A  12      -4.742  -1.960  -3.856  1.00  0.06           H  
ATOM    174  HD2 PHE A  12      -4.977   1.782  -1.527  1.00  0.06           H  
ATOM    175  HE1 PHE A  12      -5.644  -0.764  -5.761  1.00  0.06           H  
ATOM    176  HE2 PHE A  12      -5.573   2.897  -3.767  1.00  0.06           H  
ATOM    177  HZ  PHE A  12      -6.221   1.548  -5.750  1.00  0.06           H  
ATOM    178  N   ALA A  13      -6.082  -3.030   1.397  1.00 -0.30           N  
ATOM    179  CA  ALA A  13      -5.750  -3.907   2.636  1.00  0.10           C  
ATOM    180  C   ALA A  13      -5.783  -3.176   3.965  1.00  0.23           C  
ATOM    181  O   ALA A  13      -6.490  -3.566   4.832  1.00 -0.27           O  
ATOM    182  CB  ALA A  13      -4.529  -4.808   2.431  1.00 -0.04           C  
ATOM    183  H   ALA A  13      -7.067  -2.878   1.177  1.00  0.15           H  
ATOM    184  HA  ALA A  13      -6.591  -4.587   2.589  1.00  0.06           H  
ATOM    185  HB1 ALA A  13      -4.761  -5.728   3.008  1.00  0.03           H  
ATOM    186  HB2 ALA A  13      -4.461  -4.994   1.316  1.00  0.03           H  
ATOM    187  HB3 ALA A  13      -3.628  -4.321   2.755  1.00  0.03           H  
ATOM    188  N   PHE A  14      -5.184  -1.978   4.127  1.00 -0.30           N  
ATOM    189  CA  PHE A  14      -5.180  -1.288   5.441  1.00  0.10           C  
ATOM    190  C   PHE A  14      -5.125   0.268   5.253  1.00  0.23           C  
ATOM    191  O   PHE A  14      -4.423   0.829   6.027  1.00 -0.27           O  
ATOM    192  CB  PHE A  14      -4.169  -1.851   6.492  1.00  0.00           C  
ATOM    193  CG  PHE A  14      -4.269  -3.380   6.545  1.00 -0.05           C  
ATOM    194  CD1 PHE A  14      -5.373  -3.892   7.222  1.00 -0.06           C  
ATOM    195  CD2 PHE A  14      -3.333  -4.236   6.043  1.00 -0.06           C  
ATOM    196  CE1 PHE A  14      -5.689  -5.244   7.215  1.00 -0.06           C  
ATOM    197  CE2 PHE A  14      -3.409  -5.603   6.293  1.00 -0.06           C  
ATOM    198  CZ  PHE A  14      -4.689  -6.098   6.658  1.00 -0.06           C  
ATOM    199  H   PHE A  14      -4.615  -1.574   3.427  1.00  0.15           H  
ATOM    200  HA  PHE A  14      -6.185  -1.345   6.008  1.00  0.06           H  
ATOM    201  HB2 PHE A  14      -3.110  -1.632   6.213  1.00  0.03           H  
ATOM    202  HB3 PHE A  14      -4.235  -1.432   7.468  1.00  0.03           H  
ATOM    203  HD1 PHE A  14      -5.907  -3.195   7.904  1.00  0.06           H  
ATOM    204  HD2 PHE A  14      -2.470  -3.879   5.542  1.00  0.06           H  
ATOM    205  HE1 PHE A  14      -6.635  -5.591   7.606  1.00  0.06           H  
ATOM    206  HE2 PHE A  14      -2.575  -6.292   6.086  1.00  0.06           H  
ATOM    207  HZ  PHE A  14      -4.951  -7.141   6.514  1.00  0.06           H  
ATOM    208  N   ASN A  15      -5.819   0.913   4.266  1.00 -0.30           N  
ATOM    209  CA  ASN A  15      -5.835   2.349   4.158  1.00  0.11           C  
ATOM    210  C   ASN A  15      -7.147   2.749   4.800  1.00  0.23           C  
ATOM    211  O   ASN A  15      -7.033   3.505   5.764  1.00 -0.27           O  
ATOM    212  CB  ASN A  15      -5.850   2.821   2.717  1.00  0.05           C  
ATOM    213  CG  ASN A  15      -4.602   2.351   2.077  1.00  0.21           C  
ATOM    214  OD1 ASN A  15      -4.576   1.423   1.293  1.00 -0.28           O  
ATOM    215  ND2 ASN A  15      -3.489   3.041   2.464  1.00 -0.33           N  
ATOM    216  H   ASN A  15      -6.278   0.437   3.595  1.00  0.15           H  
ATOM    217  HA  ASN A  15      -5.049   2.864   4.749  1.00  0.06           H  
ATOM    218  HB2 ASN A  15      -6.791   2.526   2.224  1.00  0.04           H  
ATOM    219  HB3 ASN A  15      -5.878   3.844   2.703  1.00  0.04           H  
ATOM    220 HD21 ASN A  15      -3.496   3.836   3.051  1.00  0.14           H  
ATOM    221 HD22 ASN A  15      -2.558   2.734   2.262  1.00  0.14           H  
ATOM    222  N   LYS A  16      -8.451   2.439   4.317  1.00 -0.30           N  
ATOM    223  CA  LYS A  16      -9.658   3.102   4.741  1.00  0.10           C  
ATOM    224  C   LYS A  16      -9.376   4.647   4.768  1.00  0.24           C  
ATOM    225  O   LYS A  16      -9.073   5.065   5.848  1.00 -0.27           O  
ATOM    226  CB  LYS A  16     -10.099   2.458   6.091  1.00 -0.03           C  
ATOM    227  CG  LYS A  16     -11.475   2.990   6.708  1.00 -0.05           C  
ATOM    228  CD  LYS A  16     -12.718   2.264   6.025  1.00 -0.01           C  
ATOM    229  CE  LYS A  16     -14.103   2.769   6.573  1.00 -0.04           C  
ATOM    230  NZ  LYS A  16     -15.106   2.022   5.815  1.00  0.22           N  
ATOM    231  H   LYS A  16      -8.480   1.794   3.545  1.00  0.15           H  
ATOM    232  HA  LYS A  16     -10.539   2.986   4.071  1.00  0.06           H  
ATOM    233  HB2 LYS A  16     -10.098   1.305   6.023  1.00  0.03           H  
ATOM    234  HB3 LYS A  16      -9.322   2.692   6.763  1.00  0.03           H  
ATOM    235  HG2 LYS A  16     -11.570   2.788   7.782  1.00  0.03           H  
ATOM    236  HG3 LYS A  16     -11.626   4.043   6.549  1.00  0.03           H  
ATOM    237  HD2 LYS A  16     -12.707   2.380   4.920  1.00  0.03           H  
ATOM    238  HD3 LYS A  16     -12.744   1.155   6.277  1.00  0.03           H  
ATOM    239  HE2 LYS A  16     -14.155   2.440   7.651  1.00  0.08           H  
ATOM    240  HE3 LYS A  16     -14.220   3.809   6.527  1.00  0.08           H  
ATOM    241  HZ1 LYS A  16     -16.058   2.272   5.982  1.00  0.20           H  
ATOM    242  HZ2 LYS A  16     -15.184   2.125   4.644  1.00  0.20           H  
ATOM    243  HZ3 LYS A  16     -15.146   0.948   5.918  1.00  0.20           H  
ATOM    244  N   PRO A  17      -9.227   5.369   3.623  1.00 -0.29           N  
ATOM    245  CA  PRO A  17      -8.459   6.644   3.732  1.00  0.10           C  
ATOM    246  C   PRO A  17      -8.754   7.683   4.769  1.00  0.23           C  
ATOM    247  O   PRO A  17      -9.923   7.772   5.107  1.00 -0.27           O  
ATOM    248  CB  PRO A  17      -8.807   7.196   2.304  1.00 -0.02           C  
ATOM    249  CG  PRO A  17      -8.993   5.963   1.378  1.00 -0.04           C  
ATOM    250  CD  PRO A  17      -9.542   4.872   2.313  1.00  0.02           C  
ATOM    251  HA  PRO A  17      -7.409   6.287   3.679  1.00  0.06           H  
ATOM    252  HB2 PRO A  17      -9.791   7.641   2.495  1.00  0.03           H  
ATOM    253  HB3 PRO A  17      -8.107   7.995   1.944  1.00  0.03           H  
ATOM    254  HG2 PRO A  17      -9.595   6.086   0.455  1.00  0.03           H  
ATOM    255  HG3 PRO A  17      -8.012   5.694   0.983  1.00  0.03           H  
ATOM    256  HD2 PRO A  17     -10.595   5.027   2.248  1.00  0.05           H  
ATOM    257  HD3 PRO A  17      -9.321   3.867   1.921  1.00  0.05           H  
ATOM    258  N   PHE A  18      -7.811   8.521   5.261  1.00 -0.30           N  
ATOM    259  CA  PHE A  18      -8.290   9.606   6.092  1.00  0.10           C  
ATOM    260  C   PHE A  18      -7.175  10.578   5.935  1.00  0.23           C  
ATOM    261  O   PHE A  18      -6.309  10.630   6.758  1.00 -0.27           O  
ATOM    262  CB  PHE A  18      -8.267   9.162   7.584  1.00  0.00           C  
ATOM    263  CG  PHE A  18      -9.370   8.080   7.903  1.00 -0.05           C  
ATOM    264  CD1 PHE A  18     -10.700   8.426   7.727  1.00 -0.06           C  
ATOM    265  CD2 PHE A  18      -9.034   6.872   8.517  1.00 -0.06           C  
ATOM    266  CE1 PHE A  18     -11.669   7.408   7.732  1.00 -0.06           C  
ATOM    267  CE2 PHE A  18     -10.006   5.925   8.574  1.00 -0.06           C  
ATOM    268  CZ  PHE A  18     -11.332   6.162   8.208  1.00 -0.06           C  
ATOM    269  H   PHE A  18      -6.850   8.313   5.170  1.00  0.15           H  
ATOM    270  HA  PHE A  18      -9.287   9.992   5.975  1.00  0.06           H  
ATOM    271  HB2 PHE A  18      -7.317   8.560   7.867  1.00  0.03           H  
ATOM    272  HB3 PHE A  18      -8.544   9.854   8.391  1.00  0.03           H  
ATOM    273  HD1 PHE A  18     -11.074   9.457   7.575  1.00  0.06           H  
ATOM    274  HD2 PHE A  18      -8.043   6.599   8.896  1.00  0.06           H  
ATOM    275  HE1 PHE A  18     -12.703   7.615   7.385  1.00  0.06           H  
ATOM    276  HE2 PHE A  18      -9.700   4.959   8.982  1.00  0.06           H  
ATOM    277  HZ  PHE A  18     -12.083   5.399   8.308  1.00  0.06           H  
ATOM    278  N   VAL A  19      -7.202  11.380   4.808  1.00 -0.30           N  
ATOM    279  CA  VAL A  19      -8.238  11.312   3.776  1.00  0.10           C  
ATOM    280  C   VAL A  19      -7.734  11.590   2.366  1.00  0.23           C  
ATOM    281  O   VAL A  19      -6.763  12.337   2.220  1.00 -0.27           O  
ATOM    282  CB  VAL A  19      -9.129  12.585   3.955  1.00 -0.02           C  
ATOM    283  CG1 VAL A  19     -10.397  12.508   3.094  1.00 -0.06           C  
ATOM    284  CG2 VAL A  19      -9.662  12.815   5.461  1.00 -0.06           C  
ATOM    285  H   VAL A  19      -6.516  12.048   4.592  1.00  0.15           H  
ATOM    286  HA  VAL A  19      -8.796  10.392   3.690  1.00  0.06           H  
ATOM    287  HB  VAL A  19      -8.481  13.543   3.836  1.00  0.03           H  
ATOM    288 HG11 VAL A  19     -10.983  13.458   3.275  1.00  0.02           H  
ATOM    289 HG12 VAL A  19     -10.282  12.514   2.033  1.00  0.02           H  
ATOM    290 HG13 VAL A  19     -10.928  11.638   3.365  1.00  0.02           H  
ATOM    291 HG21 VAL A  19     -10.289  13.659   5.567  1.00  0.02           H  
ATOM    292 HG22 VAL A  19     -10.182  11.970   5.918  1.00  0.02           H  
ATOM    293 HG23 VAL A  19      -8.826  12.969   6.112  1.00  0.02           H  
ATOM    294  N   PHE A  20      -8.412  10.996   1.341  1.00 -0.30           N  
ATOM    295  CA  PHE A  20      -7.843  11.067  -0.014  1.00  0.11           C  
ATOM    296  C   PHE A  20      -8.866  10.538  -1.088  1.00  0.28           C  
ATOM    297  O   PHE A  20      -9.627  11.260  -1.742  1.00 -0.26           O  
ATOM    298  CB  PHE A  20      -6.612  10.181  -0.096  1.00  0.00           C  
ATOM    299  CG  PHE A  20      -5.671  10.573  -1.267  1.00 -0.05           C  
ATOM    300  CD1 PHE A  20      -4.657  11.546  -1.096  1.00 -0.06           C  
ATOM    301  CD2 PHE A  20      -5.770   9.896  -2.486  1.00 -0.06           C  
ATOM    302  CE1 PHE A  20      -3.758  11.771  -2.131  1.00 -0.06           C  
ATOM    303  CE2 PHE A  20      -4.923  10.283  -3.534  1.00 -0.06           C  
ATOM    304  CZ  PHE A  20      -3.844  11.162  -3.367  1.00 -0.06           C  
ATOM    305  OXT PHE A  20      -8.938   9.250  -1.191  1.00 -0.33           O  
ATOM    306  H   PHE A  20      -9.177  10.477   1.439  1.00  0.15           H  
ATOM    307  HA  PHE A  20      -7.502  12.114  -0.256  1.00  0.06           H  
ATOM    308  HB2 PHE A  20      -5.949  10.286   0.797  1.00  0.03           H  
ATOM    309  HB3 PHE A  20      -6.972   9.179  -0.150  1.00  0.03           H  
ATOM    310  HD1 PHE A  20      -4.567  12.081  -0.162  1.00  0.06           H  
ATOM    311  HD2 PHE A  20      -6.425   9.017  -2.553  1.00  0.06           H  
ATOM    312  HE1 PHE A  20      -3.007  12.536  -2.007  1.00  0.06           H  
ATOM    313  HE2 PHE A  20      -5.024   9.865  -4.555  1.00  0.06           H  
ATOM    314  HZ  PHE A  20      -3.209  11.285  -4.204  1.00  0.06           H  
ATOM    315  HXT PHE A  20      -9.484   8.893  -1.902  1.00  0.22           H  
TER     316      PHE A  20                                                      
ATOM    317  N   ALA B 101       2.120  -5.774  11.474  1.00 -0.38           N  
ATOM    318  CA  ALA B 101       1.415  -4.804  12.301  1.00  0.09           C  
ATOM    319  C   ALA B 101      -0.012  -5.335  12.277  1.00  0.23           C  
ATOM    320  O   ALA B 101      -0.316  -5.986  11.279  1.00 -0.27           O  
ATOM    321  CB  ALA B 101       1.369  -3.370  11.633  1.00 -0.04           C  
ATOM    322  H1  ALA B 101       2.224  -5.591  10.506  1.00  0.14           H  
ATOM    323  H2  ALA B 101       2.466  -6.645  11.815  1.00  0.14           H  
ATOM    324  HA  ALA B 101       1.822  -4.800  13.424  1.00  0.06           H  
ATOM    325  HB1 ALA B 101       1.164  -3.325  10.584  1.00  0.03           H  
ATOM    326  HB2 ALA B 101       0.611  -2.873  12.276  1.00  0.03           H  
ATOM    327  HB3 ALA B 101       2.282  -2.850  11.764  1.00  0.03           H  
ATOM    328  N   VAL B 102      -0.833  -5.121  13.312  1.00 -0.30           N  
ATOM    329  CA  VAL B 102      -2.182  -5.731  13.291  1.00  0.10           C  
ATOM    330  C   VAL B 102      -2.800  -5.284  12.027  1.00  0.23           C  
ATOM    331  O   VAL B 102      -3.377  -5.990  11.261  1.00 -0.27           O  
ATOM    332  CB  VAL B 102      -3.170  -5.518  14.487  1.00 -0.02           C  
ATOM    333  CG1 VAL B 102      -3.525  -4.057  14.751  1.00 -0.06           C  
ATOM    334  CG2 VAL B 102      -4.382  -6.458  14.363  1.00 -0.06           C  
ATOM    335  H   VAL B 102      -0.485  -4.558  14.150  1.00  0.15           H  
ATOM    336  HA  VAL B 102      -2.005  -6.819  13.192  1.00  0.06           H  
ATOM    337  HB  VAL B 102      -2.690  -5.823  15.402  1.00  0.03           H  
ATOM    338 HG11 VAL B 102      -2.620  -3.509  14.952  1.00  0.02           H  
ATOM    339 HG12 VAL B 102      -4.011  -3.727  13.857  1.00  0.02           H  
ATOM    340 HG13 VAL B 102      -4.184  -3.955  15.596  1.00  0.02           H  
ATOM    341 HG21 VAL B 102      -5.234  -6.054  13.848  1.00  0.02           H  
ATOM    342 HG22 VAL B 102      -4.177  -7.415  13.898  1.00  0.02           H  
ATOM    343 HG23 VAL B 102      -4.804  -6.634  15.349  1.00  0.02           H  
ATOM    344  N   GLY B 103      -2.739  -4.022  11.738  1.00 -0.31           N  
ATOM    345  CA  GLY B 103      -3.498  -3.356  10.643  1.00  0.09           C  
ATOM    346  C   GLY B 103      -3.827  -1.839  10.854  1.00  0.23           C  
ATOM    347  O   GLY B 103      -2.864  -1.086  10.946  1.00 -0.27           O  
ATOM    348  H   GLY B 103      -2.027  -3.530  12.309  1.00  0.15           H  
ATOM    349  HA2 GLY B 103      -2.792  -3.479   9.803  1.00  0.06           H  
ATOM    350  HA3 GLY B 103      -4.430  -3.900  10.642  1.00  0.06           H  
ATOM    351  N   ILE B 104      -5.099  -1.387  10.901  1.00 -0.30           N  
ATOM    352  CA  ILE B 104      -5.345  -0.009  11.316  1.00  0.10           C  
ATOM    353  C   ILE B 104      -5.223   0.001  12.802  1.00  0.23           C  
ATOM    354  O   ILE B 104      -5.633  -0.931  13.515  1.00 -0.27           O  
ATOM    355  CB  ILE B 104      -6.770   0.490  10.880  1.00 -0.02           C  
ATOM    356  CG1 ILE B 104      -7.068   0.310   9.339  1.00 -0.05           C  
ATOM    357  CG2 ILE B 104      -6.906   1.914  11.398  1.00 -0.06           C  
ATOM    358  CD1 ILE B 104      -6.310   1.266   8.500  1.00 -0.07           C  
ATOM    359  H   ILE B 104      -5.874  -2.042  10.867  1.00  0.15           H  
ATOM    360  HA  ILE B 104      -4.620   0.639  10.778  1.00  0.06           H  
ATOM    361  HB  ILE B 104      -7.563  -0.105  11.352  1.00  0.03           H  
ATOM    362 HG12 ILE B 104      -6.943  -0.740   8.994  1.00  0.03           H  
ATOM    363 HG13 ILE B 104      -8.184   0.630   9.142  1.00  0.03           H  
ATOM    364 HG21 ILE B 104      -7.787   2.330  10.961  1.00  0.02           H  
ATOM    365 HG22 ILE B 104      -7.130   1.982  12.500  1.00  0.02           H  
ATOM    366 HG23 ILE B 104      -6.093   2.628  11.116  1.00  0.02           H  
ATOM    367 HD11 ILE B 104      -6.685   1.044   7.474  1.00  0.02           H  
ATOM    368 HD12 ILE B 104      -6.374   2.342   8.711  1.00  0.02           H  
ATOM    369 HD13 ILE B 104      -5.290   0.943   8.500  1.00  0.02           H  
ATOM    370  N   GLY B 105      -4.804   1.105  13.442  1.00 -0.31           N  
ATOM    371  CA  GLY B 105      -4.757   1.231  14.901  1.00  0.09           C  
ATOM    372  C   GLY B 105      -3.322   1.107  15.317  1.00  0.23           C  
ATOM    373  O   GLY B 105      -2.846   2.185  15.630  1.00 -0.27           O  
ATOM    374  H   GLY B 105      -4.300   1.824  13.036  1.00  0.15           H  
ATOM    375  HA2 GLY B 105      -5.192   2.110  15.290  1.00  0.06           H  
ATOM    376  HA3 GLY B 105      -5.270   0.475  15.468  1.00  0.06           H  
ATOM    377  N   ALA B 106      -2.666  -0.083  15.085  1.00 -0.30           N  
ATOM    378  CA  ALA B 106      -1.271  -0.091  15.291  1.00  0.10           C  
ATOM    379  C   ALA B 106      -0.729   0.922  14.314  1.00  0.23           C  
ATOM    380  O   ALA B 106       0.122   1.733  14.666  1.00 -0.27           O  
ATOM    381  CB  ALA B 106      -0.552  -1.410  15.071  1.00 -0.04           C  
ATOM    382  H   ALA B 106      -3.214  -0.820  14.716  1.00  0.15           H  
ATOM    383  HA  ALA B 106      -1.021   0.243  16.288  1.00  0.06           H  
ATOM    384  HB1 ALA B 106      -0.762  -1.872  14.122  1.00  0.03           H  
ATOM    385  HB2 ALA B 106       0.531  -1.156  15.053  1.00  0.03           H  
ATOM    386  HB3 ALA B 106      -0.795  -2.160  15.893  1.00  0.03           H  
ATOM    387  N   LEU B 107      -1.176   0.858  13.046  1.00 -0.30           N  
ATOM    388  CA  LEU B 107      -0.818   1.827  11.977  1.00  0.10           C  
ATOM    389  C   LEU B 107      -1.805   3.000  12.040  1.00  0.23           C  
ATOM    390  O   LEU B 107      -2.296   3.397  11.027  1.00 -0.27           O  
ATOM    391  CB  LEU B 107      -0.956   1.376  10.501  1.00 -0.02           C  
ATOM    392  CG  LEU B 107      -0.127   0.033  10.167  1.00 -0.04           C  
ATOM    393  CD1 LEU B 107      -0.507  -0.471   8.736  1.00 -0.06           C  
ATOM    394  CD2 LEU B 107       1.462   0.321  10.223  1.00 -0.06           C  
ATOM    395  H   LEU B 107      -1.768   0.096  12.751  1.00  0.15           H  
ATOM    396  HA  LEU B 107       0.223   2.166  12.215  1.00  0.06           H  
ATOM    397  HB2 LEU B 107      -1.987   1.141  10.105  1.00  0.03           H  
ATOM    398  HB3 LEU B 107      -0.621   2.206   9.782  1.00  0.03           H  
ATOM    399  HG  LEU B 107      -0.471  -0.691  10.881  1.00  0.03           H  
ATOM    400 HD11 LEU B 107      -0.099   0.250   7.980  1.00  0.02           H  
ATOM    401 HD12 LEU B 107       0.019  -1.443   8.595  1.00  0.02           H  
ATOM    402 HD13 LEU B 107      -1.525  -0.607   8.500  1.00  0.02           H  
ATOM    403 HD21 LEU B 107       1.956   0.750   9.325  1.00  0.02           H  
ATOM    404 HD22 LEU B 107       1.751   1.007  11.093  1.00  0.02           H  
ATOM    405 HD23 LEU B 107       1.939  -0.647  10.363  1.00  0.02           H  
ATOM    406  N   PHE B 108      -2.065   3.591  13.230  1.00 -0.30           N  
ATOM    407  CA  PHE B 108      -2.677   4.923  13.329  1.00  0.10           C  
ATOM    408  C   PHE B 108      -3.297   5.423  11.982  1.00  0.23           C  
ATOM    409  O   PHE B 108      -2.620   6.205  11.306  1.00 -0.27           O  
ATOM    410  CB  PHE B 108      -1.631   5.905  13.871  1.00  0.00           C  
ATOM    411  CG  PHE B 108      -1.047   5.445  15.222  1.00 -0.05           C  
ATOM    412  CD1 PHE B 108       0.041   4.596  15.305  1.00 -0.06           C  
ATOM    413  CD2 PHE B 108      -1.560   5.816  16.466  1.00 -0.06           C  
ATOM    414  CE1 PHE B 108       0.603   4.234  16.577  1.00 -0.06           C  
ATOM    415  CE2 PHE B 108      -0.983   5.660  17.764  1.00 -0.06           C  
ATOM    416  CZ  PHE B 108       0.201   4.893  17.709  1.00 -0.06           C  
ATOM    417  H   PHE B 108      -1.745   3.217  14.090  1.00  0.15           H  
ATOM    418  HA  PHE B 108      -3.466   4.914  14.061  1.00  0.06           H  
ATOM    419  HB2 PHE B 108      -0.697   5.953  13.202  1.00  0.03           H  
ATOM    420  HB3 PHE B 108      -1.896   6.963  13.873  1.00  0.03           H  
ATOM    421  HD1 PHE B 108       0.417   4.203  14.351  1.00  0.06           H  
ATOM    422  HD2 PHE B 108      -2.546   6.301  16.509  1.00  0.06           H  
ATOM    423  HE1 PHE B 108       1.390   3.529  16.638  1.00  0.06           H  
ATOM    424  HE2 PHE B 108      -1.435   6.018  18.713  1.00  0.06           H  
ATOM    425  HZ  PHE B 108       0.874   4.811  18.581  1.00  0.06           H  
ATOM    426  N   LEU B 109      -4.623   5.112  11.800  1.00 -0.30           N  
ATOM    427  CA  LEU B 109      -5.359   5.550  10.613  1.00  0.10           C  
ATOM    428  C   LEU B 109      -4.933   4.803   9.363  1.00  0.23           C  
ATOM    429  O   LEU B 109      -5.797   4.651   8.551  1.00 -0.27           O  
ATOM    430  CB  LEU B 109      -5.114   7.111  10.399  1.00 -0.02           C  
ATOM    431  CG  LEU B 109      -5.590   8.179  11.469  1.00 -0.04           C  
ATOM    432  CD1 LEU B 109      -7.073   8.071  11.793  1.00 -0.06           C  
ATOM    433  CD2 LEU B 109      -4.674   8.227  12.773  1.00 -0.06           C  
ATOM    434  H   LEU B 109      -5.143   4.584  12.476  1.00  0.15           H  
ATOM    435  HA  LEU B 109      -6.486   5.442  10.721  1.00  0.06           H  
ATOM    436  HB2 LEU B 109      -4.153   7.455   9.940  1.00  0.03           H  
ATOM    437  HB3 LEU B 109      -5.767   7.360   9.548  1.00  0.03           H  
ATOM    438  HG  LEU B 109      -5.389   9.192  11.057  1.00  0.03           H  
ATOM    439 HD11 LEU B 109      -7.271   7.119  12.330  1.00  0.02           H  
ATOM    440 HD12 LEU B 109      -7.565   8.928  12.468  1.00  0.02           H  
ATOM    441 HD13 LEU B 109      -7.656   8.049  10.909  1.00  0.02           H  
ATOM    442 HD21 LEU B 109      -4.641   7.184  13.210  1.00  0.02           H  
ATOM    443 HD22 LEU B 109      -3.565   8.505  12.558  1.00  0.02           H  
ATOM    444 HD23 LEU B 109      -5.079   8.815  13.578  1.00  0.02           H  
ATOM    445  N   GLY B 110      -3.683   4.362   9.019  1.00 -0.31           N  
ATOM    446  CA  GLY B 110      -3.505   3.792   7.720  1.00  0.09           C  
ATOM    447  C   GLY B 110      -3.654   4.933   6.833  1.00  0.23           C  
ATOM    448  O   GLY B 110      -4.546   4.894   6.011  1.00 -0.27           O  
ATOM    449  H   GLY B 110      -2.837   4.487   9.589  1.00  0.15           H  
ATOM    450  HA2 GLY B 110      -2.481   3.459   7.672  1.00  0.06           H  
ATOM    451  HA3 GLY B 110      -4.146   2.905   7.489  1.00  0.06           H  
ATOM    452  N   PHE B 111      -2.861   5.992   6.965  1.00 -0.30           N  
ATOM    453  CA  PHE B 111      -3.144   7.171   6.079  1.00  0.10           C  
ATOM    454  C   PHE B 111      -2.873   6.748   4.653  1.00  0.23           C  
ATOM    455  O   PHE B 111      -1.788   6.267   4.452  1.00 -0.27           O  
ATOM    456  CB  PHE B 111      -2.141   8.273   6.422  1.00  0.00           C  
ATOM    457  CG  PHE B 111      -2.412   8.883   7.774  1.00 -0.05           C  
ATOM    458  CD1 PHE B 111      -3.400   9.841   7.974  1.00 -0.06           C  
ATOM    459  CD2 PHE B 111      -1.544   8.510   8.811  1.00 -0.06           C  
ATOM    460  CE1 PHE B 111      -3.540  10.475   9.226  1.00 -0.06           C  
ATOM    461  CE2 PHE B 111      -1.582   9.304   9.979  1.00 -0.06           C  
ATOM    462  CZ  PHE B 111      -2.513  10.329  10.152  1.00 -0.06           C  
ATOM    463  H   PHE B 111      -1.997   5.981   7.581  1.00  0.15           H  
ATOM    464  HA  PHE B 111      -4.172   7.598   6.131  1.00  0.06           H  
ATOM    465  HB2 PHE B 111      -1.107   7.838   6.359  1.00  0.03           H  
ATOM    466  HB3 PHE B 111      -2.180   9.059   5.680  1.00  0.03           H  
ATOM    467  HD1 PHE B 111      -4.146   9.998   7.157  1.00  0.06           H  
ATOM    468  HD2 PHE B 111      -0.753   7.739   8.811  1.00  0.06           H  
ATOM    469  HE1 PHE B 111      -4.402  11.026   9.464  1.00  0.06           H  
ATOM    470  HE2 PHE B 111      -0.885   8.964  10.759  1.00  0.06           H  
ATOM    471  HZ  PHE B 111      -2.592  11.057  10.954  1.00  0.06           H  
ATOM    472  N   LEU B 112      -3.871   6.928   3.693  1.00 -0.30           N  
ATOM    473  CA  LEU B 112      -3.503   6.791   2.319  1.00  0.10           C  
ATOM    474  C   LEU B 112      -2.574   7.958   1.951  1.00  0.23           C  
ATOM    475  O   LEU B 112      -3.138   9.000   1.661  1.00 -0.27           O  
ATOM    476  CB  LEU B 112      -4.713   6.795   1.255  1.00 -0.02           C  
ATOM    477  CG  LEU B 112      -4.263   6.617  -0.252  1.00 -0.04           C  
ATOM    478  CD1 LEU B 112      -3.421   5.394  -0.404  1.00 -0.06           C  
ATOM    479  CD2 LEU B 112      -5.597   6.444  -1.114  1.00 -0.06           C  
ATOM    480  H   LEU B 112      -4.856   7.211   3.973  1.00  0.15           H  
ATOM    481  HA  LEU B 112      -2.942   5.828   2.201  1.00  0.06           H  
ATOM    482  HB2 LEU B 112      -5.251   5.848   1.558  1.00  0.03           H  
ATOM    483  HB3 LEU B 112      -5.365   7.687   1.262  1.00  0.03           H  
ATOM    484  HG  LEU B 112      -3.677   7.452  -0.485  1.00  0.03           H  
ATOM    485 HD11 LEU B 112      -3.901   4.489   0.033  1.00  0.02           H  
ATOM    486 HD12 LEU B 112      -3.475   5.122  -1.531  1.00  0.02           H  
ATOM    487 HD13 LEU B 112      -2.352   5.559   0.009  1.00  0.02           H  
ATOM    488 HD21 LEU B 112      -6.126   5.537  -0.833  1.00  0.02           H  
ATOM    489 HD22 LEU B 112      -6.313   7.234  -1.141  1.00  0.02           H  
ATOM    490 HD23 LEU B 112      -5.226   6.227  -2.183  1.00  0.02           H  
ATOM    491  N   GLY B 113      -1.269   7.749   1.885  1.00 -0.31           N  
ATOM    492  CA  GLY B 113      -0.166   8.725   1.652  1.00  0.09           C  
ATOM    493  C   GLY B 113       0.768   8.197   0.544  1.00  0.23           C  
ATOM    494  O   GLY B 113       1.864   7.834   0.867  1.00 -0.27           O  
ATOM    495  H   GLY B 113      -0.897   6.883   2.260  1.00  0.15           H  
ATOM    496  HA2 GLY B 113      -0.535   9.694   1.449  1.00  0.06           H  
ATOM    497  HA3 GLY B 113       0.487   8.795   2.560  1.00  0.06           H  
ATOM    498  N   ALA B 114       0.513   8.190  -0.785  1.00 -0.30           N  
ATOM    499  CA  ALA B 114      -0.552   9.017  -1.401  1.00  0.10           C  
ATOM    500  C   ALA B 114      -0.993   8.504  -2.756  1.00  0.23           C  
ATOM    501  O   ALA B 114      -1.188   9.252  -3.713  1.00 -0.27           O  
ATOM    502  CB  ALA B 114       0.049  10.425  -1.591  1.00 -0.04           C  
ATOM    503  H   ALA B 114       1.228   7.737  -1.430  1.00  0.15           H  
ATOM    504  HA  ALA B 114      -1.418   9.155  -0.742  1.00  0.06           H  
ATOM    505  HB1 ALA B 114      -0.771  11.117  -1.908  1.00  0.03           H  
ATOM    506  HB2 ALA B 114       0.478  10.874  -0.648  1.00  0.03           H  
ATOM    507  HB3 ALA B 114       0.684  10.338  -2.507  1.00  0.03           H  
ATOM    508  N   ALA B 115      -1.071   7.162  -2.721  1.00 -0.30           N  
ATOM    509  CA  ALA B 115      -1.515   6.442  -3.912  1.00  0.10           C  
ATOM    510  C   ALA B 115      -1.896   4.975  -3.739  1.00  0.23           C  
ATOM    511  O   ALA B 115      -2.889   4.646  -4.384  1.00 -0.27           O  
ATOM    512  CB  ALA B 115      -0.566   6.606  -5.137  1.00 -0.04           C  
ATOM    513  H   ALA B 115      -0.924   6.633  -1.910  1.00  0.15           H  
ATOM    514  HA  ALA B 115      -2.475   6.955  -4.181  1.00  0.06           H  
ATOM    515  HB1 ALA B 115       0.135   5.800  -4.907  1.00  0.03           H  
ATOM    516  HB2 ALA B 115      -1.077   6.358  -6.066  1.00  0.03           H  
ATOM    517  HB3 ALA B 115      -0.104   7.607  -5.295  1.00  0.03           H  
ATOM    518  N   GLY B 116      -1.200   4.116  -3.022  1.00 -0.31           N  
ATOM    519  CA  GLY B 116      -1.817   2.765  -2.836  1.00  0.09           C  
ATOM    520  C   GLY B 116      -0.977   1.737  -2.004  1.00  0.23           C  
ATOM    521  O   GLY B 116      -0.126   1.119  -2.622  1.00 -0.27           O  
ATOM    522  H   GLY B 116      -0.297   4.224  -2.615  1.00  0.15           H  
ATOM    523  HA2 GLY B 116      -2.853   2.768  -2.432  1.00  0.06           H  
ATOM    524  HA3 GLY B 116      -1.726   2.393  -3.885  1.00  0.06           H  
ATOM    525  N   SER B 117      -1.197   1.630  -0.663  1.00 -0.30           N  
ATOM    526  CA  SER B 117      -0.452   0.733   0.093  1.00  0.12           C  
ATOM    527  C   SER B 117      -1.096   0.455   1.392  1.00  0.24           C  
ATOM    528  O   SER B 117      -2.069   1.052   1.783  1.00 -0.27           O  
ATOM    529  CB  SER B 117       1.071   1.027   0.228  1.00  0.07           C  
ATOM    530  OG  SER B 117       1.187   1.750   1.435  1.00 -0.39           O  
ATOM    531  H   SER B 117      -1.974   2.262  -0.263  1.00  0.15           H  
ATOM    532  HA  SER B 117      -0.665  -0.195  -0.516  1.00  0.06           H  
ATOM    533  HB2 SER B 117       1.677   0.089   0.302  1.00  0.06           H  
ATOM    534  HB3 SER B 117       1.432   1.660  -0.551  1.00  0.06           H  
ATOM    535  HG  SER B 117       2.064   1.876   1.764  1.00  0.21           H  
ATOM    536  N   THR B 118      -0.437  -0.373   2.160  1.00 -0.30           N  
ATOM    537  CA  THR B 118      -0.963  -0.496   3.554  1.00  0.13           C  
ATOM    538  C   THR B 118      -1.137   0.907   4.149  1.00  0.24           C  
ATOM    539  O   THR B 118      -2.226   1.202   4.584  1.00 -0.27           O  
ATOM    540  CB  THR B 118      -0.136  -1.262   4.595  1.00  0.08           C  
ATOM    541  OG1 THR B 118       1.140  -0.747   4.936  1.00 -0.39           O  
ATOM    542  CG2 THR B 118       0.086  -2.741   4.067  1.00 -0.04           C  
ATOM    543  H   THR B 118       0.298  -1.016   1.884  1.00  0.15           H  
ATOM    544  HA  THR B 118      -2.021  -0.935   3.615  1.00  0.06           H  
ATOM    545  HB  THR B 118      -0.861  -1.279   5.475  1.00  0.06           H  
ATOM    546  HG1 THR B 118       1.659  -1.230   5.548  1.00  0.21           H  
ATOM    547 HG21 THR B 118       0.878  -2.750   3.294  1.00  0.03           H  
ATOM    548 HG22 THR B 118       0.543  -3.286   4.946  1.00  0.03           H  
ATOM    549 HG23 THR B 118      -0.846  -3.268   3.705  1.00  0.03           H  
ATOM    550  N   MET B 119      -0.118   1.794   4.277  1.00 -0.30           N  
ATOM    551  CA  MET B 119      -0.340   3.063   4.934  1.00  0.10           C  
ATOM    552  C   MET B 119       0.328   4.109   4.072  1.00  0.23           C  
ATOM    553  O   MET B 119       0.811   5.078   4.592  1.00 -0.27           O  
ATOM    554  CB  MET B 119       0.130   3.220   6.393  1.00 -0.02           C  
ATOM    555  CG  MET B 119       1.677   2.927   6.553  1.00  0.00           C  
ATOM    556  SD  MET B 119       2.351   3.307   8.200  1.00 -0.16           S  
ATOM    557  CE  MET B 119       2.261   5.113   8.258  1.00 -0.02           C  
ATOM    558  H   MET B 119       0.844   1.557   4.005  1.00  0.15           H  
ATOM    559  HA  MET B 119      -1.425   3.282   4.941  1.00  0.06           H  
ATOM    560  HB2 MET B 119      -0.030   4.313   6.622  1.00  0.03           H  
ATOM    561  HB3 MET B 119      -0.408   2.528   7.053  1.00  0.03           H  
ATOM    562  HG2 MET B 119       1.824   1.767   6.390  1.00  0.04           H  
ATOM    563  HG3 MET B 119       2.283   3.465   5.900  1.00  0.04           H  
ATOM    564  HE1 MET B 119       2.532   5.470   9.248  1.00  0.03           H  
ATOM    565  HE2 MET B 119       2.937   5.454   7.487  1.00  0.03           H  
ATOM    566  HE3 MET B 119       1.281   5.550   8.202  1.00  0.03           H  
ATOM    567  N   GLY B 120       0.390   3.971   2.708  1.00 -0.31           N  
ATOM    568  CA  GLY B 120       1.051   5.002   1.857  1.00  0.09           C  
ATOM    569  C   GLY B 120       2.291   4.527   1.213  1.00  0.23           C  
ATOM    570  O   GLY B 120       3.056   3.892   1.918  1.00 -0.27           O  
ATOM    571  H   GLY B 120       0.004   3.141   2.248  1.00  0.15           H  
ATOM    572  HA2 GLY B 120       0.378   5.289   1.051  1.00  0.06           H  
ATOM    573  HA3 GLY B 120       1.290   5.956   2.399  1.00  0.06           H  
ATOM    574  N   ALA B 121       2.593   4.933  -0.062  1.00 -0.30           N  
ATOM    575  CA  ALA B 121       3.766   4.493  -0.776  1.00  0.10           C  
ATOM    576  C   ALA B 121       4.739   5.672  -0.866  1.00  0.23           C  
ATOM    577  O   ALA B 121       4.296   6.780  -0.521  1.00 -0.27           O  
ATOM    578  CB  ALA B 121       3.381   3.903  -2.189  1.00 -0.04           C  
ATOM    579  H   ALA B 121       2.025   5.639  -0.551  1.00  0.15           H  
ATOM    580  HA  ALA B 121       4.317   3.741  -0.278  1.00  0.06           H  
ATOM    581  HB1 ALA B 121       4.212   3.444  -2.840  1.00  0.03           H  
ATOM    582  HB2 ALA B 121       2.703   3.097  -2.018  1.00  0.03           H  
ATOM    583  HB3 ALA B 121       2.934   4.777  -2.718  1.00  0.03           H  
ATOM    584  N   ARG B 122       5.970   5.533  -1.392  1.00 -0.30           N  
ATOM    585  CA  ARG B 122       6.749   6.777  -1.673  1.00  0.10           C  
ATOM    586  C   ARG B 122       6.044   7.502  -2.723  1.00  0.23           C  
ATOM    587  O   ARG B 122       5.987   8.712  -2.589  1.00 -0.27           O  
ATOM    588  CB  ARG B 122       8.171   6.299  -2.215  1.00 -0.02           C  
ATOM    589  CG  ARG B 122       8.898   7.362  -3.095  1.00 -0.03           C  
ATOM    590  CD  ARG B 122       9.355   8.679  -2.362  1.00  0.05           C  
ATOM    591  NE  ARG B 122      10.183   9.533  -3.284  1.00 -0.17           N  
ATOM    592  CZ  ARG B 122       9.717  10.380  -4.147  1.00  0.39           C  
ATOM    593  NH1 ARG B 122       8.418  10.640  -4.223  1.00 -0.18           N  
ATOM    594  NH2 ARG B 122      10.511  10.990  -4.992  1.00 -0.18           N  
ATOM    595  H   ARG B 122       6.245   4.606  -1.606  1.00  0.15           H  
ATOM    596  HA  ARG B 122       6.840   7.340  -0.781  1.00  0.06           H  
ATOM    597  HB2 ARG B 122       8.753   6.018  -1.296  1.00  0.03           H  
ATOM    598  HB3 ARG B 122       8.146   5.406  -2.875  1.00  0.03           H  
ATOM    599  HG2 ARG B 122       9.707   6.853  -3.560  1.00  0.03           H  
ATOM    600  HG3 ARG B 122       8.273   7.619  -3.938  1.00  0.03           H  
ATOM    601  HD2 ARG B 122       8.452   9.187  -1.921  1.00  0.05           H  
ATOM    602  HD3 ARG B 122       9.993   8.293  -1.523  1.00  0.05           H  
ATOM    603  HE  ARG B 122      11.172   9.358  -3.135  1.00  0.20           H  
ATOM    604 HH11 ARG B 122       7.652  10.205  -3.598  1.00  0.19           H  
ATOM    605 HH12 ARG B 122       8.036  11.299  -4.880  1.00  0.19           H  
ATOM    606 HH21 ARG B 122      11.487  10.854  -4.954  1.00  0.19           H  
ATOM    607 HH22 ARG B 122      10.102  11.510  -5.707  1.00  0.19           H  
ATOM    608  N   SER B 123       5.481   6.818  -3.724  1.00 -0.30           N  
ATOM    609  CA  SER B 123       4.543   7.443  -4.722  1.00  0.13           C  
ATOM    610  C   SER B 123       5.207   8.672  -5.372  1.00  0.28           C  
ATOM    611  O   SER B 123       4.514   9.547  -5.937  1.00 -0.26           O  
ATOM    612  CB  SER B 123       3.142   7.737  -4.074  1.00  0.07           C  
ATOM    613  OG  SER B 123       3.179   8.456  -2.836  1.00 -0.39           O  
ATOM    614  OXT SER B 123       6.494   8.695  -5.222  1.00 -0.33           O  
ATOM    615  H   SER B 123       5.576   5.883  -4.007  1.00  0.15           H  
ATOM    616  HA  SER B 123       4.347   6.740  -5.553  1.00  0.06           H  
ATOM    617  HB2 SER B 123       2.553   8.371  -4.773  1.00  0.06           H  
ATOM    618  HB3 SER B 123       2.542   6.817  -3.844  1.00  0.06           H  
ATOM    619  HG  SER B 123       3.566   9.362  -2.984  1.00  0.21           H  
ATOM    620  HXT SER B 123       6.806   9.250  -5.930  1.00  0.22           H  
TER     621      SER B 123                                                      
CONECT   85  153                                                                
CONECT  153   85                                                                
MASTER      171    0    0    0    0    0    0    6  307    2    2    4          
END