HEADER    HORMONE/GROWTH FACTOR                   19-APR-01   1IP0              
TITLE     NMR STRUCTURE OF HUMAN BETACELLULIN-2                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BETACELLULIN;                                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 62-111;                                           
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PBO41                                     
KEYWDS    EGF-LIKE FOLD, HORMONE-GROWTH FACTOR COMPLEX                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    K.MIURA,H.DOURA,T.AIZAWA,H.TADA,M.SENO,H.YAMADA,K.KAWANO              
REVDAT   5   27-DEC-23 1IP0    1       REMARK                                   
REVDAT   4   23-FEB-22 1IP0    1       REMARK                                   
REVDAT   3   24-FEB-09 1IP0    1       VERSN                                    
REVDAT   2   14-JAN-03 1IP0    1       REMARK                                   
REVDAT   1   31-JUL-02 1IP0    0                                                
JRNL        AUTH   K.MIURA,H.DOURA,T.AIZAWA,H.TADA,M.SENO,H.YAMADA,K.KAWANO     
JRNL        TITL   SOLUTION STRUCTURE OF BETACELLULIN, A NEW MEMBER OF          
JRNL        TITL 2 EGF-FAMILY LIGANDS.                                          
JRNL        REF    BIOCHEM.BIOPHYS.RES.COMMUN.   V. 294  1040 2002              
JRNL        REFN                   ISSN 0006-291X                               
JRNL        PMID   12074582                                                     
JRNL        DOI    10.1016/S0006-291X(02)00585-5                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1, X-PLOR 3.1                               
REMARK   3   AUTHORS     : BRUNGER (X-PLOR), BRUNGER (X-PLOR)                   
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES ARE BASED ON A TOTAL OF 538 RESTRAINTS, 461 ARE NOE- 
REMARK   3  DERIVED                                                             
REMARK   3  DISTANCE CONSTRAINTS, 41 DIHEDRAL ANGLE RESTRAINTS,36 DISTANCE      
REMARK   3  RESTRAINTS                                                          
REMARK   3  FROM HYDROGEN BONDS.                                                
REMARK   4                                                                      
REMARK   4 1IP0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-APR-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000005134.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298; 298                           
REMARK 210  PH                             : 3.5; 3.5                           
REMARK 210  IONIC STRENGTH                 : 0.28; 0.28                         
REMARK 210  PRESSURE                       : 1 ATM; 1 ATM                       
REMARK 210  SAMPLE CONTENTS                : 2.0MM BETACELLULIN-2, 1.0%         
REMARK 210                                   ACETATE BUFFER, 90% H2O, 10% D2O;  
REMARK 210                                   2.0MM BETACELLULIN-2, 1.0%         
REMARK 210                                   ACETATE BUFFER, 100% D2O           
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; DQF-COSY; 2D TOCSY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
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  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR 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    LYS A   2      -56.32   -139.06                                   
REMARK 500    HIS A   4       66.07   -103.10                                   
REMARK 500    PHE A   5     -157.48   -119.13                                   
REMARK 500    LYS A  13       53.42    -90.39                                   
REMARK 500    LYS A  18       54.21   -103.87                                   
REMARK 500    GLN A  28       97.67    -38.45                                   
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    ARG A   1         0.31    SIDE CHAIN                              
REMARK 500    ARG A   7         0.32    SIDE CHAIN                              
REMARK 500    ARG A  20         0.32    SIDE CHAIN                              
REMARK 500    ARG A  22         0.32    SIDE CHAIN                              
REMARK 500    ARG A  42         0.32    SIDE CHAIN                              
REMARK 500    ARG A  45         0.32    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4990   RELATED DB: BMRB                                  
REMARK 900 ASSIGNMENT TABLE OF BETACELLULIN-2                                   
REMARK 900 RELATED ID: 1IOX   RELATED DB: PDB                                   
REMARK 900 1IOX IS THE ENSEMBLE OF 40 STRUCTURES                                
DBREF  1IP0 A    1    50  UNP    P35070   BTC_HUMAN       62    111             
SEQRES   1 A   50  ARG LYS GLY HIS PHE SER ARG CYS PRO LYS GLN TYR LYS          
SEQRES   2 A   50  HIS TYR CYS ILE LYS GLY ARG CYS ARG PHE VAL VAL ALA          
SEQRES   3 A   50  GLU GLN THR PRO SER CYS VAL CYS ASP GLU GLY TYR ILE          
SEQRES   4 A   50  GLY ALA ARG CYS GLU ARG VAL ASP LEU PHE TYR                  
HELIX    1   1 PRO A    9  LYS A   13  5                                   5    
SHEET    1   A 3 SER A   6  ARG A   7  0                                        
SHEET    2   A 3 GLY A  19  VAL A  24 -1  N  PHE A  23   O  SER A   6           
SHEET    3   A 3 THR A  29  CYS A  34 -1  O  THR A  29   N  VAL A  24           
SHEET    1   B 2 TYR A  38  ILE A  39  0                                        
SHEET    2   B 2 ARG A  45  VAL A  46 -1  O  ARG A  45   N  ILE A  39           
SSBOND   1 CYS A    8    CYS A   21                          1555   1555  2.59  
SSBOND   2 CYS A   16    CYS A   32                          1555   1555  2.57  
SSBOND   3 CYS A   34    CYS A   43                          1555   1555  2.57  
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   ARG A   1      -9.254   4.315 -17.315  1.00  4.89           N  
ATOM      2  CA  ARG A   1      -9.014   5.764 -17.598  1.00  4.45           C  
ATOM      3  C   ARG A   1      -7.788   6.264 -16.820  1.00  3.54           C  
ATOM      4  O   ARG A   1      -6.799   6.664 -17.405  1.00  3.76           O  
ATOM      5  CB  ARG A   1     -10.284   6.487 -17.129  1.00  5.06           C  
ATOM      6  CG  ARG A   1     -11.216   6.723 -18.322  1.00  5.80           C  
ATOM      7  CD  ARG A   1     -10.702   7.901 -19.158  1.00  6.54           C  
ATOM      8  NE  ARG A   1     -11.113   9.126 -18.410  1.00  7.14           N  
ATOM      9  CZ  ARG A   1     -11.377  10.230 -19.059  1.00  7.72           C  
ATOM     10  NH1 ARG A   1     -10.400  10.950 -19.550  1.00  8.23           N  
ATOM     11  NH2 ARG A   1     -12.618  10.615 -19.215  1.00  8.05           N  
ATOM     12  H1  ARG A   1      -9.467   4.186 -16.305  1.00  5.28           H  
ATOM     13  H2  ARG A   1      -8.403   3.769 -17.562  1.00  4.94           H  
ATOM     14  H3  ARG A   1     -10.058   3.979 -17.882  1.00  5.19           H  
ATOM     15  HA  ARG A   1      -8.874   5.919 -18.656  1.00  4.87           H  
ATOM     16  HB2 ARG A   1     -10.791   5.881 -16.391  1.00  5.42           H  
ATOM     17  HB3 ARG A   1     -10.017   7.436 -16.690  1.00  5.05           H  
ATOM     18  HG2 ARG A   1     -11.246   5.834 -18.936  1.00  5.88           H  
ATOM     19  HG3 ARG A   1     -12.210   6.945 -17.964  1.00  6.09           H  
ATOM     20  HD2 ARG A   1      -9.625   7.856 -19.245  1.00  6.85           H  
ATOM     21  HD3 ARG A   1     -11.159   7.895 -20.135  1.00  6.66           H  
ATOM     22  HE  ARG A   1     -11.181   9.106 -17.432  1.00  7.30           H  
ATOM     23 HH11 ARG A   1      -9.452  10.656 -19.429  1.00  8.19           H  
ATOM     24 HH12 ARG A   1     -10.601  11.794 -20.048  1.00  8.80           H  
ATOM     25 HH21 ARG A   1     -13.365  10.066 -18.837  1.00  7.88           H  
ATOM     26 HH22 ARG A   1     -12.822  11.459 -19.712  1.00  8.64           H  
ATOM     27  N   LYS A   2      -7.850   6.246 -15.509  1.00  3.07           N  
ATOM     28  CA  LYS A   2      -6.692   6.720 -14.686  1.00  2.75           C  
ATOM     29  C   LYS A   2      -6.483   5.793 -13.481  1.00  2.24           C  
ATOM     30  O   LYS A   2      -5.413   5.246 -13.290  1.00  2.77           O  
ATOM     31  CB  LYS A   2      -7.081   8.130 -14.224  1.00  3.52           C  
ATOM     32  CG  LYS A   2      -6.625   9.161 -15.263  1.00  4.19           C  
ATOM     33  CD  LYS A   2      -7.829   9.640 -16.082  1.00  5.03           C  
ATOM     34  CE  LYS A   2      -8.587  10.720 -15.301  1.00  5.78           C  
ATOM     35  NZ  LYS A   2      -9.233  11.573 -16.341  1.00  6.34           N  
ATOM     36  H   LYS A   2      -8.661   5.920 -15.063  1.00  3.42           H  
ATOM     37  HA  LYS A   2      -5.796   6.763 -15.286  1.00  3.08           H  
ATOM     38  HB2 LYS A   2      -8.154   8.186 -14.105  1.00  3.90           H  
ATOM     39  HB3 LYS A   2      -6.604   8.342 -13.279  1.00  3.81           H  
ATOM     40  HG2 LYS A   2      -6.175  10.003 -14.759  1.00  4.42           H  
ATOM     41  HG3 LYS A   2      -5.901   8.709 -15.925  1.00  4.34           H  
ATOM     42  HD2 LYS A   2      -7.484  10.047 -17.021  1.00  5.20           H  
ATOM     43  HD3 LYS A   2      -8.490   8.807 -16.272  1.00  5.34           H  
ATOM     44  HE2 LYS A   2      -9.336  10.267 -14.666  1.00  6.11           H  
ATOM     45  HE3 LYS A   2      -7.902  11.311 -14.714  1.00  5.94           H  
ATOM     46  HZ1 LYS A   2      -8.506  11.970 -16.969  1.00  6.66           H  
ATOM     47  HZ2 LYS A   2      -9.752  12.348 -15.878  1.00  6.56           H  
ATOM     48  HZ3 LYS A   2      -9.895  10.999 -16.900  1.00  6.51           H  
ATOM     49  N   GLY A   3      -7.499   5.615 -12.670  1.00  1.86           N  
ATOM     50  CA  GLY A   3      -7.371   4.726 -11.477  1.00  1.76           C  
ATOM     51  C   GLY A   3      -8.742   4.561 -10.818  1.00  1.35           C  
ATOM     52  O   GLY A   3      -8.996   5.099  -9.756  1.00  2.00           O  
ATOM     53  H   GLY A   3      -8.350   6.068 -12.849  1.00  2.21           H  
ATOM     54  HA2 GLY A   3      -6.998   3.759 -11.786  1.00  2.13           H  
ATOM     55  HA3 GLY A   3      -6.685   5.167 -10.769  1.00  2.16           H  
ATOM     56  N   HIS A   4      -9.629   3.828 -11.448  1.00  0.96           N  
ATOM     57  CA  HIS A   4     -10.994   3.629 -10.871  1.00  1.25           C  
ATOM     58  C   HIS A   4     -11.108   2.234 -10.237  1.00  1.08           C  
ATOM     59  O   HIS A   4     -11.857   1.389 -10.694  1.00  1.24           O  
ATOM     60  CB  HIS A   4     -11.948   3.775 -12.064  1.00  1.79           C  
ATOM     61  CG  HIS A   4     -13.247   4.387 -11.608  1.00  2.45           C  
ATOM     62  ND1 HIS A   4     -13.864   5.414 -12.305  1.00  3.20           N  
ATOM     63  CD2 HIS A   4     -14.060   4.124 -10.533  1.00  3.19           C  
ATOM     64  CE1 HIS A   4     -14.995   5.729 -11.648  1.00  4.01           C  
ATOM     65  NE2 HIS A   4     -15.162   4.972 -10.560  1.00  4.05           N  
ATOM     66  H   HIS A   4      -9.397   3.411 -12.305  1.00  1.26           H  
ATOM     67  HA  HIS A   4     -11.204   4.390 -10.137  1.00  1.61           H  
ATOM     68  HB2 HIS A   4     -11.495   4.413 -12.810  1.00  2.03           H  
ATOM     69  HB3 HIS A   4     -12.140   2.804 -12.494  1.00  2.23           H  
ATOM     70  HD1 HIS A   4     -13.535   5.836 -13.127  1.00  3.47           H  
ATOM     71  HD2 HIS A   4     -13.871   3.374  -9.779  1.00  3.48           H  
ATOM     72  HE1 HIS A   4     -15.684   6.499 -11.962  1.00  4.81           H  
ATOM     73  N   PHE A   5     -10.369   1.992  -9.180  1.00  0.88           N  
ATOM     74  CA  PHE A   5     -10.427   0.657  -8.502  1.00  0.75           C  
ATOM     75  C   PHE A   5     -10.900   0.827  -7.051  1.00  0.74           C  
ATOM     76  O   PHE A   5     -11.538   1.808  -6.711  1.00  0.86           O  
ATOM     77  CB  PHE A   5      -8.990   0.114  -8.542  1.00  0.71           C  
ATOM     78  CG  PHE A   5      -8.465   0.140  -9.960  1.00  0.78           C  
ATOM     79  CD1 PHE A   5      -8.984  -0.739 -10.917  1.00  0.83           C  
ATOM     80  CD2 PHE A   5      -7.461   1.047 -10.313  1.00  0.93           C  
ATOM     81  CE1 PHE A   5      -8.497  -0.712 -12.228  1.00  0.91           C  
ATOM     82  CE2 PHE A   5      -6.973   1.076 -11.624  1.00  1.01           C  
ATOM     83  CZ  PHE A   5      -7.491   0.196 -12.582  1.00  0.95           C  
ATOM     84  H   PHE A   5      -9.776   2.691  -8.829  1.00  0.92           H  
ATOM     85  HA  PHE A   5     -11.087  -0.008  -9.036  1.00  0.81           H  
ATOM     86  HB2 PHE A   5      -8.358   0.723  -7.913  1.00  0.75           H  
ATOM     87  HB3 PHE A   5      -8.983  -0.903  -8.178  1.00  0.71           H  
ATOM     88  HD1 PHE A   5      -9.759  -1.440 -10.644  1.00  0.90           H  
ATOM     89  HD2 PHE A   5      -7.064   1.725  -9.572  1.00  1.04           H  
ATOM     90  HE1 PHE A   5      -8.897  -1.390 -12.967  1.00  1.01           H  
ATOM     91  HE2 PHE A   5      -6.198   1.776 -11.897  1.00  1.18           H  
ATOM     92  HZ  PHE A   5      -7.115   0.218 -13.595  1.00  1.03           H  
ATOM     93  N   SER A   6     -10.590  -0.117  -6.194  1.00  0.65           N  
ATOM     94  CA  SER A   6     -11.018  -0.009  -4.765  1.00  0.66           C  
ATOM     95  C   SER A   6      -9.795   0.200  -3.867  1.00  0.58           C  
ATOM     96  O   SER A   6      -8.856  -0.575  -3.892  1.00  0.59           O  
ATOM     97  CB  SER A   6     -11.704  -1.338  -4.441  1.00  0.73           C  
ATOM     98  OG  SER A   6     -12.892  -1.457  -5.215  1.00  1.16           O  
ATOM     99  H   SER A   6     -10.072  -0.895  -6.491  1.00  0.64           H  
ATOM    100  HA  SER A   6     -11.716   0.805  -4.642  1.00  0.75           H  
ATOM    101  HB2 SER A   6     -11.045  -2.154  -4.678  1.00  0.91           H  
ATOM    102  HB3 SER A   6     -11.946  -1.368  -3.387  1.00  0.88           H  
ATOM    103  HG  SER A   6     -13.630  -1.168  -4.673  1.00  1.56           H  
ATOM    104  N   ARG A   7      -9.804   1.243  -3.075  1.00  0.59           N  
ATOM    105  CA  ARG A   7      -8.646   1.514  -2.168  1.00  0.57           C  
ATOM    106  C   ARG A   7      -8.734   0.626  -0.921  1.00  0.55           C  
ATOM    107  O   ARG A   7      -9.805   0.392  -0.390  1.00  0.74           O  
ATOM    108  CB  ARG A   7      -8.770   2.993  -1.789  1.00  0.65           C  
ATOM    109  CG  ARG A   7      -7.415   3.520  -1.306  1.00  1.30           C  
ATOM    110  CD  ARG A   7      -7.192   4.934  -1.852  1.00  1.89           C  
ATOM    111  NE  ARG A   7      -7.899   5.835  -0.896  1.00  2.25           N  
ATOM    112  CZ  ARG A   7      -7.378   6.991  -0.579  1.00  2.86           C  
ATOM    113  NH1 ARG A   7      -6.567   7.083   0.444  1.00  3.30           N  
ATOM    114  NH2 ARG A   7      -7.669   8.053  -1.285  1.00  3.53           N  
ATOM    115  H   ARG A   7     -10.574   1.850  -3.076  1.00  0.65           H  
ATOM    116  HA  ARG A   7      -7.715   1.344  -2.686  1.00  0.57           H  
ATOM    117  HB2 ARG A   7      -9.089   3.558  -2.654  1.00  1.14           H  
ATOM    118  HB3 ARG A   7      -9.499   3.103  -1.000  1.00  1.07           H  
ATOM    119  HG2 ARG A   7      -7.403   3.543  -0.226  1.00  1.81           H  
ATOM    120  HG3 ARG A   7      -6.628   2.871  -1.661  1.00  1.77           H  
ATOM    121  HD2 ARG A   7      -6.135   5.162  -1.877  1.00  2.41           H  
ATOM    122  HD3 ARG A   7      -7.622   5.030  -2.837  1.00  2.36           H  
ATOM    123  HE  ARG A   7      -8.756   5.562  -0.506  1.00  2.53           H  
ATOM    124 HH11 ARG A   7      -6.345   6.270   0.983  1.00  3.35           H  
ATOM    125 HH12 ARG A   7      -6.167   7.967   0.688  1.00  3.91           H  
ATOM    126 HH21 ARG A   7      -8.290   7.980  -2.067  1.00  3.72           H  
ATOM    127 HH22 ARG A   7      -7.272   8.939  -1.044  1.00  4.13           H  
ATOM    128  N   CYS A   8      -7.616   0.128  -0.454  1.00  0.51           N  
ATOM    129  CA  CYS A   8      -7.628  -0.750   0.757  1.00  0.53           C  
ATOM    130  C   CYS A   8      -7.713   0.104   2.032  1.00  0.58           C  
ATOM    131  O   CYS A   8      -6.890   0.976   2.245  1.00  0.59           O  
ATOM    132  CB  CYS A   8      -6.306  -1.521   0.711  1.00  0.56           C  
ATOM    133  SG  CYS A   8      -6.428  -2.866  -0.497  1.00  1.12           S  
ATOM    134  H   CYS A   8      -6.767   0.332  -0.902  1.00  0.61           H  
ATOM    135  HA  CYS A   8      -8.455  -1.440   0.708  1.00  0.56           H  
ATOM    136  HB2 CYS A   8      -5.509  -0.851   0.424  1.00  0.71           H  
ATOM    137  HB3 CYS A   8      -6.095  -1.931   1.687  1.00  0.53           H  
ATOM    138  HG  CYS A   8      -7.052  -3.512  -0.159  1.00  1.60           H  
ATOM    139  N   PRO A   9      -8.713  -0.175   2.841  1.00  0.67           N  
ATOM    140  CA  PRO A   9      -8.907   0.581   4.106  1.00  0.78           C  
ATOM    141  C   PRO A   9      -7.901   0.127   5.174  1.00  0.73           C  
ATOM    142  O   PRO A   9      -7.393  -0.980   5.130  1.00  0.65           O  
ATOM    143  CB  PRO A   9     -10.331   0.222   4.523  1.00  0.92           C  
ATOM    144  CG  PRO A   9     -10.607  -1.105   3.887  1.00  0.89           C  
ATOM    145  CD  PRO A   9      -9.747  -1.204   2.653  1.00  0.75           C  
ATOM    146  HA  PRO A   9      -8.830   1.642   3.934  1.00  0.82           H  
ATOM    147  HB2 PRO A   9     -10.398   0.146   5.600  1.00  0.98           H  
ATOM    148  HB3 PRO A   9     -11.027   0.959   4.154  1.00  1.00           H  
ATOM    149  HG2 PRO A   9     -10.358  -1.900   4.577  1.00  0.89           H  
ATOM    150  HG3 PRO A   9     -11.647  -1.171   3.610  1.00  1.00           H  
ATOM    151  HD2 PRO A   9      -9.299  -2.187   2.585  1.00  0.70           H  
ATOM    152  HD3 PRO A   9     -10.327  -0.990   1.769  1.00  0.79           H  
ATOM    153  N   LYS A  10      -7.622   0.975   6.137  1.00  0.83           N  
ATOM    154  CA  LYS A  10      -6.656   0.604   7.225  1.00  0.83           C  
ATOM    155  C   LYS A  10      -7.141  -0.647   7.972  1.00  0.85           C  
ATOM    156  O   LYS A  10      -6.346  -1.455   8.416  1.00  0.82           O  
ATOM    157  CB  LYS A  10      -6.628   1.809   8.170  1.00  1.01           C  
ATOM    158  CG  LYS A  10      -5.482   2.744   7.777  1.00  1.71           C  
ATOM    159  CD  LYS A  10      -5.366   3.871   8.807  1.00  2.15           C  
ATOM    160  CE  LYS A  10      -3.892   4.242   8.999  1.00  2.86           C  
ATOM    161  NZ  LYS A  10      -3.905   5.491   9.813  1.00  3.47           N  
ATOM    162  H   LYS A  10      -8.053   1.856   6.148  1.00  0.94           H  
ATOM    163  HA  LYS A  10      -5.673   0.438   6.813  1.00  0.76           H  
ATOM    164  HB2 LYS A  10      -7.567   2.340   8.105  1.00  1.39           H  
ATOM    165  HB3 LYS A  10      -6.478   1.467   9.184  1.00  1.37           H  
ATOM    166  HG2 LYS A  10      -4.558   2.185   7.745  1.00  2.24           H  
ATOM    167  HG3 LYS A  10      -5.681   3.167   6.804  1.00  2.27           H  
ATOM    168  HD2 LYS A  10      -5.914   4.734   8.458  1.00  2.49           H  
ATOM    169  HD3 LYS A  10      -5.777   3.541   9.750  1.00  2.46           H  
ATOM    170  HE2 LYS A  10      -3.373   3.452   9.526  1.00  3.10           H  
ATOM    171  HE3 LYS A  10      -3.424   4.428   8.044  1.00  3.32           H  
ATOM    172  HZ1 LYS A  10      -4.381   5.311  10.720  1.00  3.79           H  
ATOM    173  HZ2 LYS A  10      -4.414   6.238   9.296  1.00  3.80           H  
ATOM    174  HZ3 LYS A  10      -2.928   5.798   9.992  1.00  3.82           H  
ATOM    175  N   GLN A  11      -8.439  -0.813   8.104  1.00  0.95           N  
ATOM    176  CA  GLN A  11      -8.989  -2.014   8.812  1.00  1.04           C  
ATOM    177  C   GLN A  11      -8.562  -3.306   8.097  1.00  0.92           C  
ATOM    178  O   GLN A  11      -8.355  -4.325   8.726  1.00  1.05           O  
ATOM    179  CB  GLN A  11     -10.512  -1.847   8.757  1.00  1.21           C  
ATOM    180  CG  GLN A  11     -11.170  -2.750   9.805  1.00  1.78           C  
ATOM    181  CD  GLN A  11     -12.676  -2.831   9.539  1.00  2.32           C  
ATOM    182  OE1 GLN A  11     -13.140  -3.748   8.890  1.00  2.89           O  
ATOM    183  NE2 GLN A  11     -13.465  -1.905  10.017  1.00  2.94           N  
ATOM    184  H   GLN A  11      -9.054  -0.147   7.731  1.00  0.99           H  
ATOM    185  HA  GLN A  11      -8.658  -2.027   9.839  1.00  1.13           H  
ATOM    186  HB2 GLN A  11     -10.768  -0.817   8.958  1.00  1.42           H  
ATOM    187  HB3 GLN A  11     -10.869  -2.121   7.775  1.00  1.54           H  
ATOM    188  HG2 GLN A  11     -10.740  -3.739   9.748  1.00  2.37           H  
ATOM    189  HG3 GLN A  11     -11.001  -2.340  10.790  1.00  2.19           H  
ATOM    190 HE21 GLN A  11     -13.094  -1.166  10.542  1.00  3.11           H  
ATOM    191 HE22 GLN A  11     -14.430  -1.951   9.849  1.00  3.58           H  
ATOM    192  N   TYR A  12      -8.426  -3.269   6.790  1.00  0.77           N  
ATOM    193  CA  TYR A  12      -8.009  -4.495   6.040  1.00  0.73           C  
ATOM    194  C   TYR A  12      -6.524  -4.428   5.638  1.00  0.59           C  
ATOM    195  O   TYR A  12      -6.026  -5.310   4.964  1.00  0.59           O  
ATOM    196  CB  TYR A  12      -8.901  -4.522   4.796  1.00  0.79           C  
ATOM    197  CG  TYR A  12     -10.129  -5.354   5.080  1.00  0.96           C  
ATOM    198  CD1 TYR A  12     -10.028  -6.749   5.138  1.00  1.10           C  
ATOM    199  CD2 TYR A  12     -11.365  -4.731   5.287  1.00  1.09           C  
ATOM    200  CE1 TYR A  12     -11.165  -7.521   5.403  1.00  1.32           C  
ATOM    201  CE2 TYR A  12     -12.502  -5.503   5.553  1.00  1.28           C  
ATOM    202  CZ  TYR A  12     -12.401  -6.899   5.611  1.00  1.38           C  
ATOM    203  OH  TYR A  12     -13.522  -7.661   5.874  1.00  1.61           O  
ATOM    204  H   TYR A  12      -8.595  -2.434   6.302  1.00  0.77           H  
ATOM    205  HA  TYR A  12      -8.191  -5.376   6.635  1.00  0.82           H  
ATOM    206  HB2 TYR A  12      -9.197  -3.514   4.542  1.00  0.80           H  
ATOM    207  HB3 TYR A  12      -8.357  -4.956   3.970  1.00  0.79           H  
ATOM    208  HD1 TYR A  12      -9.073  -7.228   4.978  1.00  1.11           H  
ATOM    209  HD2 TYR A  12     -11.442  -3.655   5.243  1.00  1.12           H  
ATOM    210  HE1 TYR A  12     -11.087  -8.598   5.448  1.00  1.49           H  
ATOM    211  HE2 TYR A  12     -13.456  -5.023   5.714  1.00  1.41           H  
ATOM    212  HH  TYR A  12     -13.583  -7.781   6.825  1.00  1.84           H  
ATOM    213  N   LYS A  13      -5.811  -3.400   6.047  1.00  0.55           N  
ATOM    214  CA  LYS A  13      -4.362  -3.295   5.688  1.00  0.49           C  
ATOM    215  C   LYS A  13      -3.495  -3.969   6.765  1.00  0.49           C  
ATOM    216  O   LYS A  13      -2.561  -3.383   7.285  1.00  0.52           O  
ATOM    217  CB  LYS A  13      -4.076  -1.789   5.614  1.00  0.59           C  
ATOM    218  CG  LYS A  13      -4.149  -1.320   4.158  1.00  0.74           C  
ATOM    219  CD  LYS A  13      -4.478   0.176   4.110  1.00  0.91           C  
ATOM    220  CE  LYS A  13      -3.272   0.990   4.593  1.00  1.35           C  
ATOM    221  NZ  LYS A  13      -3.668   2.417   4.416  1.00  1.59           N  
ATOM    222  H   LYS A  13      -6.226  -2.702   6.595  1.00  0.61           H  
ATOM    223  HA  LYS A  13      -4.182  -3.750   4.726  1.00  0.49           H  
ATOM    224  HB2 LYS A  13      -4.808  -1.254   6.202  1.00  0.78           H  
ATOM    225  HB3 LYS A  13      -3.089  -1.590   6.003  1.00  0.72           H  
ATOM    226  HG2 LYS A  13      -3.198  -1.496   3.676  1.00  1.11           H  
ATOM    227  HG3 LYS A  13      -4.920  -1.872   3.641  1.00  1.23           H  
ATOM    228  HD2 LYS A  13      -4.718   0.457   3.095  1.00  1.59           H  
ATOM    229  HD3 LYS A  13      -5.324   0.378   4.749  1.00  1.47           H  
ATOM    230  HE2 LYS A  13      -3.070   0.780   5.635  1.00  1.87           H  
ATOM    231  HE3 LYS A  13      -2.406   0.771   3.990  1.00  2.01           H  
ATOM    232  HZ1 LYS A  13      -3.844   2.607   3.409  1.00  1.87           H  
ATOM    233  HZ2 LYS A  13      -2.902   3.033   4.757  1.00  2.05           H  
ATOM    234  HZ3 LYS A  13      -4.534   2.609   4.959  1.00  2.04           H  
ATOM    235  N   HIS A  14      -3.778  -5.210   7.087  1.00  0.51           N  
ATOM    236  CA  HIS A  14      -2.962  -5.919   8.125  1.00  0.57           C  
ATOM    237  C   HIS A  14      -1.709  -6.520   7.479  1.00  0.55           C  
ATOM    238  O   HIS A  14      -0.736  -6.809   8.151  1.00  0.61           O  
ATOM    239  CB  HIS A  14      -3.867  -7.031   8.668  1.00  0.64           C  
ATOM    240  CG  HIS A  14      -4.834  -6.461   9.671  1.00  0.76           C  
ATOM    241  ND1 HIS A  14      -6.201  -6.667   9.578  1.00  1.34           N  
ATOM    242  CD2 HIS A  14      -4.646  -5.696  10.797  1.00  1.38           C  
ATOM    243  CE1 HIS A  14      -6.778  -6.039  10.619  1.00  1.25           C  
ATOM    244  NE2 HIS A  14      -5.875  -5.431  11.393  1.00  1.23           N  
ATOM    245  H   HIS A  14      -4.521  -5.676   6.643  1.00  0.51           H  
ATOM    246  HA  HIS A  14      -2.690  -5.241   8.919  1.00  0.60           H  
ATOM    247  HB2 HIS A  14      -4.417  -7.478   7.853  1.00  0.65           H  
ATOM    248  HB3 HIS A  14      -3.259  -7.785   9.146  1.00  0.71           H  
ATOM    249  HD1 HIS A  14      -6.664  -7.178   8.882  1.00  2.07           H  
ATOM    250  HD2 HIS A  14      -3.690  -5.354  11.164  1.00  2.22           H  
ATOM    251  HE1 HIS A  14      -7.842  -6.027  10.805  1.00  1.79           H  
ATOM    252  N   TYR A  15      -1.713  -6.666   6.176  1.00  0.49           N  
ATOM    253  CA  TYR A  15      -0.504  -7.201   5.474  1.00  0.50           C  
ATOM    254  C   TYR A  15       0.529  -6.074   5.279  1.00  0.47           C  
ATOM    255  O   TYR A  15       1.664  -6.330   4.924  1.00  0.50           O  
ATOM    256  CB  TYR A  15      -0.983  -7.746   4.108  1.00  0.49           C  
ATOM    257  CG  TYR A  15      -1.947  -6.783   3.436  1.00  0.43           C  
ATOM    258  CD1 TYR A  15      -1.492  -5.552   2.947  1.00  0.40           C  
ATOM    259  CD2 TYR A  15      -3.300  -7.126   3.313  1.00  0.46           C  
ATOM    260  CE1 TYR A  15      -2.389  -4.666   2.338  1.00  0.40           C  
ATOM    261  CE2 TYR A  15      -4.196  -6.239   2.706  1.00  0.45           C  
ATOM    262  CZ  TYR A  15      -3.740  -5.009   2.220  1.00  0.43           C  
ATOM    263  OH  TYR A  15      -4.625  -4.133   1.629  1.00  0.47           O  
ATOM    264  H   TYR A  15      -2.497  -6.396   5.661  1.00  0.45           H  
ATOM    265  HA  TYR A  15      -0.069  -8.002   6.051  1.00  0.57           H  
ATOM    266  HB2 TYR A  15      -0.127  -7.892   3.466  1.00  0.51           H  
ATOM    267  HB3 TYR A  15      -1.476  -8.695   4.259  1.00  0.55           H  
ATOM    268  HD1 TYR A  15      -0.450  -5.287   3.035  1.00  0.41           H  
ATOM    269  HD2 TYR A  15      -3.652  -8.075   3.689  1.00  0.51           H  
ATOM    270  HE1 TYR A  15      -2.038  -3.716   1.962  1.00  0.42           H  
ATOM    271  HE2 TYR A  15      -5.239  -6.505   2.610  1.00  0.49           H  
ATOM    272  HH  TYR A  15      -5.067  -3.643   2.327  1.00  0.94           H  
ATOM    273  N   CYS A  16       0.148  -4.828   5.515  1.00  0.44           N  
ATOM    274  CA  CYS A  16       1.114  -3.698   5.345  1.00  0.46           C  
ATOM    275  C   CYS A  16       0.840  -2.610   6.389  1.00  0.50           C  
ATOM    276  O   CYS A  16      -0.203  -1.980   6.380  1.00  0.65           O  
ATOM    277  CB  CYS A  16       0.864  -3.162   3.932  1.00  0.44           C  
ATOM    278  SG  CYS A  16       1.911  -4.052   2.753  1.00  0.51           S  
ATOM    279  H   CYS A  16      -0.774  -4.636   5.806  1.00  0.44           H  
ATOM    280  HA  CYS A  16       2.130  -4.053   5.430  1.00  0.52           H  
ATOM    281  HB2 CYS A  16      -0.174  -3.305   3.670  1.00  0.41           H  
ATOM    282  HB3 CYS A  16       1.102  -2.109   3.899  1.00  0.48           H  
ATOM    283  HG  CYS A  16       1.777  -4.993   2.889  1.00  1.12           H  
ATOM    284  N   ILE A  17       1.767  -2.388   7.291  1.00  0.46           N  
ATOM    285  CA  ILE A  17       1.561  -1.341   8.341  1.00  0.54           C  
ATOM    286  C   ILE A  17       1.666   0.060   7.713  1.00  0.54           C  
ATOM    287  O   ILE A  17       0.697   0.794   7.675  1.00  0.63           O  
ATOM    288  CB  ILE A  17       2.673  -1.579   9.376  1.00  0.61           C  
ATOM    289  CG1 ILE A  17       2.416  -2.897  10.128  1.00  0.66           C  
ATOM    290  CG2 ILE A  17       2.714  -0.419  10.377  1.00  0.77           C  
ATOM    291  CD1 ILE A  17       1.033  -2.872  10.788  1.00  1.44           C  
ATOM    292  H   ILE A  17       2.598  -2.912   7.277  1.00  0.46           H  
ATOM    293  HA  ILE A  17       0.595  -1.466   8.805  1.00  0.61           H  
ATOM    294  HB  ILE A  17       3.620  -1.641   8.867  1.00  0.62           H  
ATOM    295 HG12 ILE A  17       2.466  -3.721   9.431  1.00  1.22           H  
ATOM    296 HG13 ILE A  17       3.172  -3.027  10.888  1.00  1.15           H  
ATOM    297 HG21 ILE A  17       3.280  -0.713  11.249  1.00  1.36           H  
ATOM    298 HG22 ILE A  17       1.707  -0.162  10.672  1.00  1.36           H  
ATOM    299 HG23 ILE A  17       3.183   0.437   9.916  1.00  1.15           H  
ATOM    300 HD11 ILE A  17       0.286  -3.177  10.070  1.00  2.01           H  
ATOM    301 HD12 ILE A  17       0.815  -1.872  11.132  1.00  1.96           H  
ATOM    302 HD13 ILE A  17       1.022  -3.552  11.628  1.00  2.01           H  
ATOM    303  N   LYS A  18       2.823   0.431   7.211  1.00  0.52           N  
ATOM    304  CA  LYS A  18       2.968   1.782   6.576  1.00  0.57           C  
ATOM    305  C   LYS A  18       2.988   1.646   5.041  1.00  0.53           C  
ATOM    306  O   LYS A  18       3.891   2.112   4.366  1.00  0.55           O  
ATOM    307  CB  LYS A  18       4.286   2.363   7.126  1.00  0.64           C  
ATOM    308  CG  LYS A  18       5.498   1.619   6.546  1.00  0.71           C  
ATOM    309  CD  LYS A  18       6.683   1.729   7.510  1.00  0.78           C  
ATOM    310  CE  LYS A  18       7.137   3.190   7.610  1.00  1.39           C  
ATOM    311  NZ  LYS A  18       6.994   3.546   9.051  1.00  1.77           N  
ATOM    312  H   LYS A  18       3.590  -0.180   7.243  1.00  0.52           H  
ATOM    313  HA  LYS A  18       2.144   2.414   6.873  1.00  0.64           H  
ATOM    314  HB2 LYS A  18       4.351   3.408   6.860  1.00  1.06           H  
ATOM    315  HB3 LYS A  18       4.293   2.269   8.201  1.00  1.03           H  
ATOM    316  HG2 LYS A  18       5.247   0.581   6.404  1.00  1.09           H  
ATOM    317  HG3 LYS A  18       5.769   2.056   5.597  1.00  1.09           H  
ATOM    318  HD2 LYS A  18       6.385   1.374   8.487  1.00  1.14           H  
ATOM    319  HD3 LYS A  18       7.499   1.125   7.143  1.00  1.13           H  
ATOM    320  HE2 LYS A  18       8.169   3.282   7.298  1.00  1.97           H  
ATOM    321  HE3 LYS A  18       6.505   3.823   7.008  1.00  2.05           H  
ATOM    322  HZ1 LYS A  18       7.270   4.539   9.191  1.00  2.11           H  
ATOM    323  HZ2 LYS A  18       7.609   2.931   9.624  1.00  2.21           H  
ATOM    324  HZ3 LYS A  18       6.005   3.420   9.345  1.00  2.26           H  
ATOM    325  N   GLY A  19       1.984   1.007   4.488  1.00  0.52           N  
ATOM    326  CA  GLY A  19       1.921   0.832   3.008  1.00  0.49           C  
ATOM    327  C   GLY A  19       0.458   0.762   2.555  1.00  0.52           C  
ATOM    328  O   GLY A  19      -0.373   0.156   3.205  1.00  0.64           O  
ATOM    329  H   GLY A  19       1.268   0.644   5.051  1.00  0.56           H  
ATOM    330  HA2 GLY A  19       2.408   1.668   2.525  1.00  0.54           H  
ATOM    331  HA3 GLY A  19       2.422  -0.084   2.734  1.00  0.45           H  
ATOM    332  N   ARG A  20       0.146   1.374   1.438  1.00  0.56           N  
ATOM    333  CA  ARG A  20      -1.261   1.353   0.919  1.00  0.59           C  
ATOM    334  C   ARG A  20      -1.468   0.136   0.007  1.00  0.57           C  
ATOM    335  O   ARG A  20      -0.566  -0.654  -0.194  1.00  0.81           O  
ATOM    336  CB  ARG A  20      -1.406   2.653   0.116  1.00  0.70           C  
ATOM    337  CG  ARG A  20      -1.353   3.854   1.062  1.00  1.47           C  
ATOM    338  CD  ARG A  20      -0.906   5.093   0.282  1.00  1.96           C  
ATOM    339  NE  ARG A  20      -0.876   6.195   1.286  1.00  2.46           N  
ATOM    340  CZ  ARG A  20      -1.103   7.425   0.909  1.00  2.84           C  
ATOM    341  NH1 ARG A  20      -0.127   8.149   0.424  1.00  3.37           N  
ATOM    342  NH2 ARG A  20      -2.306   7.929   1.015  1.00  3.27           N  
ATOM    343  H   ARG A  20       0.842   1.848   0.935  1.00  0.67           H  
ATOM    344  HA  ARG A  20      -1.968   1.341   1.735  1.00  0.60           H  
ATOM    345  HB2 ARG A  20      -0.601   2.723  -0.600  1.00  1.01           H  
ATOM    346  HB3 ARG A  20      -2.351   2.652  -0.406  1.00  1.15           H  
ATOM    347  HG2 ARG A  20      -2.334   4.025   1.482  1.00  2.05           H  
ATOM    348  HG3 ARG A  20      -0.649   3.658   1.857  1.00  1.96           H  
ATOM    349  HD2 ARG A  20       0.078   4.936  -0.137  1.00  2.35           H  
ATOM    350  HD3 ARG A  20      -1.616   5.322  -0.497  1.00  2.42           H  
ATOM    351  HE  ARG A  20      -0.685   5.998   2.227  1.00  2.92           H  
ATOM    352 HH11 ARG A  20       0.792   7.761   0.343  1.00  3.61           H  
ATOM    353 HH12 ARG A  20      -0.298   9.091   0.133  1.00  3.83           H  
ATOM    354 HH21 ARG A  20      -3.052   7.373   1.385  1.00  3.42           H  
ATOM    355 HH22 ARG A  20      -2.482   8.871   0.727  1.00  3.76           H  
ATOM    356  N   CYS A  21      -2.651  -0.025  -0.542  1.00  0.48           N  
ATOM    357  CA  CYS A  21      -2.913  -1.193  -1.439  1.00  0.47           C  
ATOM    358  C   CYS A  21      -4.109  -0.908  -2.358  1.00  0.43           C  
ATOM    359  O   CYS A  21      -5.107  -0.349  -1.940  1.00  0.53           O  
ATOM    360  CB  CYS A  21      -3.217  -2.358  -0.490  1.00  0.51           C  
ATOM    361  SG  CYS A  21      -4.124  -3.657  -1.372  1.00  0.71           S  
ATOM    362  H   CYS A  21      -3.367   0.621  -0.363  1.00  0.60           H  
ATOM    363  HA  CYS A  21      -2.037  -1.417  -2.026  1.00  0.52           H  
ATOM    364  HB2 CYS A  21      -2.290  -2.763  -0.113  1.00  0.59           H  
ATOM    365  HB3 CYS A  21      -3.813  -2.002   0.336  1.00  0.65           H  
ATOM    366  HG  CYS A  21      -3.483  -4.217  -1.816  1.00  1.07           H  
ATOM    367  N   ARG A  22      -4.013  -1.300  -3.605  1.00  0.44           N  
ATOM    368  CA  ARG A  22      -5.135  -1.072  -4.562  1.00  0.46           C  
ATOM    369  C   ARG A  22      -5.735  -2.419  -4.984  1.00  0.43           C  
ATOM    370  O   ARG A  22      -5.111  -3.196  -5.687  1.00  0.52           O  
ATOM    371  CB  ARG A  22      -4.506  -0.357  -5.762  1.00  0.56           C  
ATOM    372  CG  ARG A  22      -5.591   0.401  -6.534  1.00  1.24           C  
ATOM    373  CD  ARG A  22      -5.137   1.845  -6.780  1.00  1.65           C  
ATOM    374  NE  ARG A  22      -4.428   1.822  -8.094  1.00  1.96           N  
ATOM    375  CZ  ARG A  22      -4.000   2.938  -8.624  1.00  2.43           C  
ATOM    376  NH1 ARG A  22      -2.822   3.406  -8.299  1.00  3.10           N  
ATOM    377  NH2 ARG A  22      -4.750   3.586  -9.479  1.00  2.88           N  
ATOM    378  H   ARG A  22      -3.199  -1.754  -3.911  1.00  0.54           H  
ATOM    379  HA  ARG A  22      -5.892  -0.447  -4.114  1.00  0.47           H  
ATOM    380  HB2 ARG A  22      -3.757   0.340  -5.413  1.00  1.02           H  
ATOM    381  HB3 ARG A  22      -4.045  -1.083  -6.414  1.00  0.99           H  
ATOM    382  HG2 ARG A  22      -5.767  -0.089  -7.481  1.00  1.86           H  
ATOM    383  HG3 ARG A  22      -6.505   0.407  -5.959  1.00  1.86           H  
ATOM    384  HD2 ARG A  22      -5.995   2.502  -6.825  1.00  2.23           H  
ATOM    385  HD3 ARG A  22      -4.461   2.164  -6.001  1.00  2.16           H  
ATOM    386  HE  ARG A  22      -4.282   0.972  -8.560  1.00  2.40           H  
ATOM    387 HH11 ARG A  22      -2.249   2.910  -7.646  1.00  3.35           H  
ATOM    388 HH12 ARG A  22      -2.493   4.260  -8.703  1.00  3.67           H  
ATOM    389 HH21 ARG A  22      -5.650   3.228  -9.727  1.00  3.01           H  
ATOM    390 HH22 ARG A  22      -4.425   4.440  -9.885  1.00  3.46           H  
ATOM    391  N   PHE A  23      -6.941  -2.700  -4.555  1.00  0.41           N  
ATOM    392  CA  PHE A  23      -7.592  -3.993  -4.925  1.00  0.41           C  
ATOM    393  C   PHE A  23      -8.525  -3.785  -6.123  1.00  0.44           C  
ATOM    394  O   PHE A  23      -9.504  -3.068  -6.038  1.00  0.49           O  
ATOM    395  CB  PHE A  23      -8.392  -4.416  -3.685  1.00  0.43           C  
ATOM    396  CG  PHE A  23      -8.549  -5.923  -3.663  1.00  0.46           C  
ATOM    397  CD1 PHE A  23      -9.153  -6.584  -4.743  1.00  0.49           C  
ATOM    398  CD2 PHE A  23      -8.091  -6.658  -2.562  1.00  0.49           C  
ATOM    399  CE1 PHE A  23      -9.296  -7.976  -4.721  1.00  0.55           C  
ATOM    400  CE2 PHE A  23      -8.236  -8.051  -2.542  1.00  0.56           C  
ATOM    401  CZ  PHE A  23      -8.838  -8.710  -3.621  1.00  0.59           C  
ATOM    402  H   PHE A  23      -7.420  -2.058  -3.988  1.00  0.48           H  
ATOM    403  HA  PHE A  23      -6.846  -4.739  -5.153  1.00  0.42           H  
ATOM    404  HB2 PHE A  23      -7.870  -4.097  -2.795  1.00  0.44           H  
ATOM    405  HB3 PHE A  23      -9.369  -3.955  -3.713  1.00  0.46           H  
ATOM    406  HD1 PHE A  23      -9.508  -6.020  -5.592  1.00  0.49           H  
ATOM    407  HD2 PHE A  23      -7.626  -6.152  -1.728  1.00  0.49           H  
ATOM    408  HE1 PHE A  23      -9.760  -8.485  -5.553  1.00  0.59           H  
ATOM    409  HE2 PHE A  23      -7.882  -8.619  -1.693  1.00  0.60           H  
ATOM    410  HZ  PHE A  23      -8.948  -9.784  -3.605  1.00  0.65           H  
ATOM    411  N   VAL A  24      -8.232  -4.414  -7.235  1.00  0.46           N  
ATOM    412  CA  VAL A  24      -9.108  -4.263  -8.438  1.00  0.52           C  
ATOM    413  C   VAL A  24     -10.240  -5.299  -8.369  1.00  0.55           C  
ATOM    414  O   VAL A  24      -9.995  -6.495  -8.360  1.00  0.56           O  
ATOM    415  CB  VAL A  24      -8.196  -4.517  -9.646  1.00  0.56           C  
ATOM    416  CG1 VAL A  24      -8.990  -4.327 -10.942  1.00  0.65           C  
ATOM    417  CG2 VAL A  24      -7.022  -3.529  -9.624  1.00  0.58           C  
ATOM    418  H   VAL A  24      -7.440  -4.992  -7.276  1.00  0.46           H  
ATOM    419  HA  VAL A  24      -9.515  -3.264  -8.485  1.00  0.53           H  
ATOM    420  HB  VAL A  24      -7.819  -5.528  -9.603  1.00  0.59           H  
ATOM    421 HG11 VAL A  24      -8.549  -4.924 -11.726  1.00  1.26           H  
ATOM    422 HG12 VAL A  24      -8.969  -3.286 -11.228  1.00  1.22           H  
ATOM    423 HG13 VAL A  24     -10.013  -4.636 -10.787  1.00  1.13           H  
ATOM    424 HG21 VAL A  24      -6.913  -3.076 -10.599  1.00  1.21           H  
ATOM    425 HG22 VAL A  24      -6.114  -4.056  -9.370  1.00  1.15           H  
ATOM    426 HG23 VAL A  24      -7.210  -2.761  -8.888  1.00  1.14           H  
ATOM    427  N   VAL A  25     -11.472  -4.842  -8.299  1.00  0.60           N  
ATOM    428  CA  VAL A  25     -12.637  -5.785  -8.205  1.00  0.65           C  
ATOM    429  C   VAL A  25     -12.994  -6.357  -9.585  1.00  0.70           C  
ATOM    430  O   VAL A  25     -13.028  -7.561  -9.760  1.00  0.71           O  
ATOM    431  CB  VAL A  25     -13.795  -4.946  -7.643  1.00  0.72           C  
ATOM    432  CG1 VAL A  25     -15.073  -5.790  -7.600  1.00  0.80           C  
ATOM    433  CG2 VAL A  25     -13.450  -4.483  -6.224  1.00  0.71           C  
ATOM    434  H   VAL A  25     -11.629  -3.874  -8.294  1.00  0.61           H  
ATOM    435  HA  VAL A  25     -12.407  -6.587  -7.521  1.00  0.65           H  
ATOM    436  HB  VAL A  25     -13.955  -4.085  -8.276  1.00  0.77           H  
ATOM    437 HG11 VAL A  25     -15.404  -5.995  -8.607  1.00  1.32           H  
ATOM    438 HG12 VAL A  25     -15.843  -5.250  -7.070  1.00  1.33           H  
ATOM    439 HG13 VAL A  25     -14.872  -6.722  -7.090  1.00  1.25           H  
ATOM    440 HG21 VAL A  25     -13.154  -5.334  -5.629  1.00  1.19           H  
ATOM    441 HG22 VAL A  25     -14.316  -4.016  -5.777  1.00  1.27           H  
ATOM    442 HG23 VAL A  25     -12.638  -3.772  -6.264  1.00  1.25           H  
ATOM    443  N   ALA A  26     -13.262  -5.511 -10.563  1.00  0.76           N  
ATOM    444  CA  ALA A  26     -13.613  -6.023 -11.933  1.00  0.83           C  
ATOM    445  C   ALA A  26     -12.560  -7.044 -12.377  1.00  0.80           C  
ATOM    446  O   ALA A  26     -12.873  -8.180 -12.684  1.00  0.85           O  
ATOM    447  CB  ALA A  26     -13.598  -4.794 -12.848  1.00  0.89           C  
ATOM    448  H   ALA A  26     -13.228  -4.545 -10.395  1.00  0.77           H  
ATOM    449  HA  ALA A  26     -14.595  -6.470 -11.927  1.00  0.88           H  
ATOM    450  HB1 ALA A  26     -14.423  -4.144 -12.592  1.00  1.45           H  
ATOM    451  HB2 ALA A  26     -13.696  -5.110 -13.876  1.00  1.25           H  
ATOM    452  HB3 ALA A  26     -12.667  -4.261 -12.722  1.00  1.36           H  
ATOM    453  N   GLU A  27     -11.312  -6.651 -12.364  1.00  0.77           N  
ATOM    454  CA  GLU A  27     -10.213  -7.588 -12.730  1.00  0.78           C  
ATOM    455  C   GLU A  27      -9.481  -7.974 -11.441  1.00  0.71           C  
ATOM    456  O   GLU A  27      -8.608  -7.263 -10.989  1.00  0.67           O  
ATOM    457  CB  GLU A  27      -9.301  -6.796 -13.677  1.00  0.82           C  
ATOM    458  CG  GLU A  27      -9.060  -7.604 -14.955  1.00  1.22           C  
ATOM    459  CD  GLU A  27      -8.154  -6.811 -15.901  1.00  1.70           C  
ATOM    460  OE1 GLU A  27      -6.947  -6.883 -15.733  1.00  2.23           O  
ATOM    461  OE2 GLU A  27      -8.682  -6.146 -16.777  1.00  2.35           O  
ATOM    462  H   GLU A  27     -11.095  -5.739 -12.078  1.00  0.80           H  
ATOM    463  HA  GLU A  27     -10.605  -8.464 -13.225  1.00  0.84           H  
ATOM    464  HB2 GLU A  27      -9.772  -5.857 -13.930  1.00  1.02           H  
ATOM    465  HB3 GLU A  27      -8.355  -6.605 -13.193  1.00  1.05           H  
ATOM    466  HG2 GLU A  27      -8.587  -8.543 -14.703  1.00  1.69           H  
ATOM    467  HG3 GLU A  27     -10.005  -7.797 -15.442  1.00  1.77           H  
ATOM    468  N   GLN A  28      -9.872  -9.076 -10.834  1.00  0.73           N  
ATOM    469  CA  GLN A  28      -9.249  -9.528  -9.538  1.00  0.71           C  
ATOM    470  C   GLN A  28      -7.734  -9.273  -9.511  1.00  0.69           C  
ATOM    471  O   GLN A  28      -6.954 -10.049 -10.034  1.00  0.77           O  
ATOM    472  CB  GLN A  28      -9.546 -11.030  -9.460  1.00  0.81           C  
ATOM    473  CG  GLN A  28      -9.435 -11.502  -8.008  1.00  1.39           C  
ATOM    474  CD  GLN A  28     -10.318 -12.736  -7.802  1.00  1.90           C  
ATOM    475  OE1 GLN A  28     -11.420 -12.630  -7.300  1.00  2.51           O  
ATOM    476  NE2 GLN A  28      -9.880 -13.911  -8.170  1.00  2.52           N  
ATOM    477  H   GLN A  28     -10.605  -9.601 -11.221  1.00  0.79           H  
ATOM    478  HA  GLN A  28      -9.721  -9.026  -8.709  1.00  0.68           H  
ATOM    479  HB2 GLN A  28     -10.546 -11.219  -9.824  1.00  1.24           H  
ATOM    480  HB3 GLN A  28      -8.835 -11.571 -10.067  1.00  1.15           H  
ATOM    481  HG2 GLN A  28      -8.407 -11.753  -7.788  1.00  1.96           H  
ATOM    482  HG3 GLN A  28      -9.763 -10.714  -7.347  1.00  1.98           H  
ATOM    483 HE21 GLN A  28      -8.991 -14.000  -8.574  1.00  2.77           H  
ATOM    484 HE22 GLN A  28     -10.442 -14.704  -8.043  1.00  3.11           H  
ATOM    485  N   THR A  29      -7.317  -8.184  -8.902  1.00  0.62           N  
ATOM    486  CA  THR A  29      -5.855  -7.870  -8.837  1.00  0.63           C  
ATOM    487  C   THR A  29      -5.520  -7.142  -7.522  1.00  0.56           C  
ATOM    488  O   THR A  29      -5.461  -5.925  -7.481  1.00  0.54           O  
ATOM    489  CB  THR A  29      -5.576  -6.969 -10.053  1.00  0.68           C  
ATOM    490  OG1 THR A  29      -5.862  -7.678 -11.254  1.00  0.87           O  
ATOM    491  CG2 THR A  29      -4.105  -6.541 -10.056  1.00  0.74           C  
ATOM    492  H   THR A  29      -7.970  -7.572  -8.491  1.00  0.58           H  
ATOM    493  HA  THR A  29      -5.277  -8.776  -8.917  1.00  0.70           H  
ATOM    494  HB  THR A  29      -6.198  -6.090 -10.000  1.00  0.75           H  
ATOM    495  HG1 THR A  29      -5.349  -8.490 -11.254  1.00  1.28           H  
ATOM    496 HG21 THR A  29      -3.980  -5.677  -9.421  1.00  1.29           H  
ATOM    497 HG22 THR A  29      -3.804  -6.293 -11.063  1.00  1.25           H  
ATOM    498 HG23 THR A  29      -3.493  -7.351  -9.687  1.00  1.27           H  
ATOM    499  N   PRO A  30      -5.299  -7.920  -6.486  1.00  0.56           N  
ATOM    500  CA  PRO A  30      -4.948  -7.349  -5.163  1.00  0.53           C  
ATOM    501  C   PRO A  30      -3.464  -6.954  -5.144  1.00  0.58           C  
ATOM    502  O   PRO A  30      -2.591  -7.803  -5.115  1.00  0.80           O  
ATOM    503  CB  PRO A  30      -5.224  -8.497  -4.194  1.00  0.58           C  
ATOM    504  CG  PRO A  30      -5.101  -9.748  -5.009  1.00  0.64           C  
ATOM    505  CD  PRO A  30      -5.361  -9.388  -6.452  1.00  0.62           C  
ATOM    506  HA  PRO A  30      -5.575  -6.503  -4.929  1.00  0.49           H  
ATOM    507  HB2 PRO A  30      -4.496  -8.494  -3.394  1.00  0.62           H  
ATOM    508  HB3 PRO A  30      -6.221  -8.416  -3.793  1.00  0.58           H  
ATOM    509  HG2 PRO A  30      -4.105 -10.156  -4.905  1.00  0.70           H  
ATOM    510  HG3 PRO A  30      -5.830 -10.472  -4.681  1.00  0.68           H  
ATOM    511  HD2 PRO A  30      -4.599  -9.815  -7.090  1.00  0.67           H  
ATOM    512  HD3 PRO A  30      -6.341  -9.724  -6.755  1.00  0.64           H  
ATOM    513  N   SER A  31      -3.172  -5.675  -5.175  1.00  0.49           N  
ATOM    514  CA  SER A  31      -1.742  -5.231  -5.173  1.00  0.56           C  
ATOM    515  C   SER A  31      -1.475  -4.266  -4.014  1.00  0.52           C  
ATOM    516  O   SER A  31      -2.152  -3.268  -3.861  1.00  0.64           O  
ATOM    517  CB  SER A  31      -1.545  -4.523  -6.515  1.00  0.64           C  
ATOM    518  OG  SER A  31      -1.505  -5.492  -7.555  1.00  1.49           O  
ATOM    519  H   SER A  31      -3.892  -5.007  -5.210  1.00  0.52           H  
ATOM    520  HA  SER A  31      -1.083  -6.082  -5.109  1.00  0.62           H  
ATOM    521  HB2 SER A  31      -2.363  -3.846  -6.692  1.00  1.22           H  
ATOM    522  HB3 SER A  31      -0.617  -3.965  -6.493  1.00  1.21           H  
ATOM    523  HG  SER A  31      -2.402  -5.632  -7.866  1.00  1.88           H  
ATOM    524  N   CYS A  32      -0.487  -4.555  -3.202  1.00  0.50           N  
ATOM    525  CA  CYS A  32      -0.165  -3.655  -2.052  1.00  0.48           C  
ATOM    526  C   CYS A  32       1.103  -2.844  -2.352  1.00  0.54           C  
ATOM    527  O   CYS A  32       2.132  -3.391  -2.706  1.00  0.75           O  
ATOM    528  CB  CYS A  32       0.059  -4.587  -0.856  1.00  0.53           C  
ATOM    529  SG  CYS A  32       0.624  -3.624   0.571  1.00  1.39           S  
ATOM    530  H   CYS A  32       0.047  -5.364  -3.352  1.00  0.58           H  
ATOM    531  HA  CYS A  32      -0.992  -2.994  -1.851  1.00  0.46           H  
ATOM    532  HB2 CYS A  32      -0.866  -5.084  -0.607  1.00  0.71           H  
ATOM    533  HB3 CYS A  32       0.806  -5.326  -1.111  1.00  0.80           H  
ATOM    534  HG  CYS A  32       0.981  -2.793   0.249  1.00  1.86           H  
ATOM    535  N   VAL A  33       1.032  -1.544  -2.203  1.00  0.54           N  
ATOM    536  CA  VAL A  33       2.224  -0.679  -2.464  1.00  0.61           C  
ATOM    537  C   VAL A  33       2.657   0.003  -1.159  1.00  0.58           C  
ATOM    538  O   VAL A  33       1.949   0.833  -0.619  1.00  0.78           O  
ATOM    539  CB  VAL A  33       1.755   0.358  -3.494  1.00  0.70           C  
ATOM    540  CG1 VAL A  33       2.887   1.349  -3.777  1.00  0.83           C  
ATOM    541  CG2 VAL A  33       1.365  -0.350  -4.796  1.00  0.79           C  
ATOM    542  H   VAL A  33       0.190  -1.134  -1.911  1.00  0.63           H  
ATOM    543  HA  VAL A  33       3.034  -1.264  -2.870  1.00  0.65           H  
ATOM    544  HB  VAL A  33       0.901   0.891  -3.102  1.00  0.71           H  
ATOM    545 HG11 VAL A  33       2.612   1.984  -4.607  1.00  1.43           H  
ATOM    546 HG12 VAL A  33       3.788   0.806  -4.023  1.00  1.20           H  
ATOM    547 HG13 VAL A  33       3.061   1.957  -2.902  1.00  1.35           H  
ATOM    548 HG21 VAL A  33       1.174   0.386  -5.563  1.00  1.25           H  
ATOM    549 HG22 VAL A  33       0.474  -0.940  -4.634  1.00  1.30           H  
ATOM    550 HG23 VAL A  33       2.172  -0.996  -5.111  1.00  1.33           H  
ATOM    551  N   CYS A  34       3.813  -0.346  -0.649  1.00  0.53           N  
ATOM    552  CA  CYS A  34       4.296   0.272   0.628  1.00  0.53           C  
ATOM    553  C   CYS A  34       4.895   1.660   0.368  1.00  0.56           C  
ATOM    554  O   CYS A  34       5.209   2.008  -0.756  1.00  0.61           O  
ATOM    555  CB  CYS A  34       5.371  -0.681   1.156  1.00  0.54           C  
ATOM    556  SG  CYS A  34       4.600  -2.228   1.698  1.00  0.60           S  
ATOM    557  H   CYS A  34       4.363  -1.020  -1.103  1.00  0.64           H  
ATOM    558  HA  CYS A  34       3.489   0.341   1.338  1.00  0.53           H  
ATOM    559  HB2 CYS A  34       6.083  -0.890   0.372  1.00  0.59           H  
ATOM    560  HB3 CYS A  34       5.880  -0.222   1.990  1.00  0.57           H  
ATOM    561  HG  CYS A  34       4.032  -2.541   0.990  1.00  1.04           H  
ATOM    562  N   ASP A  35       5.055   2.453   1.404  1.00  0.57           N  
ATOM    563  CA  ASP A  35       5.637   3.823   1.225  1.00  0.63           C  
ATOM    564  C   ASP A  35       7.051   3.725   0.635  1.00  0.63           C  
ATOM    565  O   ASP A  35       7.864   2.942   1.082  1.00  0.61           O  
ATOM    566  CB  ASP A  35       5.677   4.436   2.630  1.00  0.65           C  
ATOM    567  CG  ASP A  35       4.409   5.264   2.862  1.00  0.84           C  
ATOM    568  OD1 ASP A  35       3.377   4.670   3.134  1.00  1.50           O  
ATOM    569  OD2 ASP A  35       4.491   6.478   2.763  1.00  1.35           O  
ATOM    570  H   ASP A  35       4.792   2.146   2.301  1.00  0.56           H  
ATOM    571  HA  ASP A  35       5.004   4.416   0.583  1.00  0.69           H  
ATOM    572  HB2 ASP A  35       5.734   3.648   3.367  1.00  0.64           H  
ATOM    573  HB3 ASP A  35       6.542   5.076   2.720  1.00  0.74           H  
ATOM    574  N   GLU A  36       7.341   4.510  -0.375  1.00  0.71           N  
ATOM    575  CA  GLU A  36       8.698   4.461  -1.015  1.00  0.76           C  
ATOM    576  C   GLU A  36       9.816   4.582   0.034  1.00  0.73           C  
ATOM    577  O   GLU A  36      10.804   3.873  -0.023  1.00  0.75           O  
ATOM    578  CB  GLU A  36       8.732   5.658  -1.971  1.00  0.89           C  
ATOM    579  CG  GLU A  36       9.747   5.395  -3.088  1.00  1.57           C  
ATOM    580  CD  GLU A  36       9.674   6.520  -4.124  1.00  2.15           C  
ATOM    581  OE1 GLU A  36      10.364   7.511  -3.945  1.00  2.69           O  
ATOM    582  OE2 GLU A  36       8.929   6.372  -5.079  1.00  2.74           O  
ATOM    583  H   GLU A  36       6.660   5.127  -0.721  1.00  0.77           H  
ATOM    584  HA  GLU A  36       8.811   3.546  -1.575  1.00  0.77           H  
ATOM    585  HB2 GLU A  36       7.752   5.803  -2.402  1.00  1.45           H  
ATOM    586  HB3 GLU A  36       9.021   6.545  -1.427  1.00  1.25           H  
ATOM    587  HG2 GLU A  36      10.742   5.356  -2.667  1.00  2.20           H  
ATOM    588  HG3 GLU A  36       9.521   4.454  -3.565  1.00  2.09           H  
ATOM    589  N   GLY A  37       9.667   5.474   0.986  1.00  0.74           N  
ATOM    590  CA  GLY A  37      10.717   5.648   2.036  1.00  0.77           C  
ATOM    591  C   GLY A  37      10.422   4.758   3.253  1.00  0.68           C  
ATOM    592  O   GLY A  37      10.584   5.184   4.380  1.00  0.72           O  
ATOM    593  H   GLY A  37       8.863   6.030   1.009  1.00  0.77           H  
ATOM    594  HA2 GLY A  37      11.680   5.381   1.625  1.00  0.81           H  
ATOM    595  HA3 GLY A  37      10.738   6.681   2.350  1.00  0.85           H  
ATOM    596  N   TYR A  38       9.994   3.532   3.045  1.00  0.59           N  
ATOM    597  CA  TYR A  38       9.698   2.632   4.206  1.00  0.53           C  
ATOM    598  C   TYR A  38      10.739   1.500   4.297  1.00  0.54           C  
ATOM    599  O   TYR A  38      11.520   1.286   3.387  1.00  0.59           O  
ATOM    600  CB  TYR A  38       8.280   2.087   3.937  1.00  0.47           C  
ATOM    601  CG  TYR A  38       8.337   0.716   3.290  1.00  0.44           C  
ATOM    602  CD1 TYR A  38       8.949   0.544   2.040  1.00  0.50           C  
ATOM    603  CD2 TYR A  38       7.779  -0.383   3.949  1.00  0.42           C  
ATOM    604  CE1 TYR A  38       9.002  -0.726   1.454  1.00  0.53           C  
ATOM    605  CE2 TYR A  38       7.833  -1.653   3.364  1.00  0.45           C  
ATOM    606  CZ  TYR A  38       8.444  -1.825   2.117  1.00  0.51           C  
ATOM    607  OH  TYR A  38       8.497  -3.079   1.542  1.00  0.59           O  
ATOM    608  H   TYR A  38       9.867   3.204   2.129  1.00  0.60           H  
ATOM    609  HA  TYR A  38       9.696   3.202   5.122  1.00  0.56           H  
ATOM    610  HB2 TYR A  38       7.746   2.014   4.872  1.00  0.47           H  
ATOM    611  HB3 TYR A  38       7.755   2.767   3.284  1.00  0.51           H  
ATOM    612  HD1 TYR A  38       9.380   1.394   1.528  1.00  0.55           H  
ATOM    613  HD2 TYR A  38       7.307  -0.251   4.910  1.00  0.42           H  
ATOM    614  HE1 TYR A  38       9.473  -0.859   0.492  1.00  0.61           H  
ATOM    615  HE2 TYR A  38       7.401  -2.501   3.876  1.00  0.47           H  
ATOM    616  HH  TYR A  38       7.692  -3.207   1.035  1.00  1.12           H  
ATOM    617  N   ILE A  39      10.747   0.774   5.392  1.00  0.53           N  
ATOM    618  CA  ILE A  39      11.723  -0.352   5.559  1.00  0.59           C  
ATOM    619  C   ILE A  39      11.048  -1.519   6.299  1.00  0.61           C  
ATOM    620  O   ILE A  39      10.075  -1.334   7.006  1.00  0.63           O  
ATOM    621  CB  ILE A  39      12.878   0.226   6.399  1.00  0.65           C  
ATOM    622  CG1 ILE A  39      13.586   1.342   5.620  1.00  0.70           C  
ATOM    623  CG2 ILE A  39      13.890  -0.881   6.718  1.00  0.77           C  
ATOM    624  CD1 ILE A  39      14.614   2.029   6.523  1.00  1.14           C  
ATOM    625  H   ILE A  39      10.105   0.967   6.108  1.00  0.53           H  
ATOM    626  HA  ILE A  39      12.092  -0.678   4.599  1.00  0.62           H  
ATOM    627  HB  ILE A  39      12.482   0.625   7.321  1.00  0.69           H  
ATOM    628 HG12 ILE A  39      14.088   0.920   4.761  1.00  1.21           H  
ATOM    629 HG13 ILE A  39      12.860   2.070   5.290  1.00  1.08           H  
ATOM    630 HG21 ILE A  39      13.454  -1.576   7.420  1.00  1.31           H  
ATOM    631 HG22 ILE A  39      14.779  -0.445   7.148  1.00  1.38           H  
ATOM    632 HG23 ILE A  39      14.150  -1.404   5.809  1.00  1.19           H  
ATOM    633 HD11 ILE A  39      15.609   1.711   6.245  1.00  1.69           H  
ATOM    634 HD12 ILE A  39      14.426   1.762   7.553  1.00  1.70           H  
ATOM    635 HD13 ILE A  39      14.535   3.100   6.410  1.00  1.71           H  
ATOM    636  N   GLY A  40      11.560  -2.718   6.145  1.00  0.71           N  
ATOM    637  CA  GLY A  40      10.956  -3.896   6.844  1.00  0.78           C  
ATOM    638  C   GLY A  40      10.062  -4.684   5.878  1.00  0.79           C  
ATOM    639  O   GLY A  40       9.554  -4.150   4.908  1.00  0.82           O  
ATOM    640  H   GLY A  40      12.346  -2.843   5.574  1.00  0.81           H  
ATOM    641  HA2 GLY A  40      11.746  -4.539   7.206  1.00  0.90           H  
ATOM    642  HA3 GLY A  40      10.363  -3.554   7.678  1.00  0.74           H  
ATOM    643  N   ALA A  41       9.865  -5.955   6.147  1.00  0.85           N  
ATOM    644  CA  ALA A  41       9.002  -6.799   5.259  1.00  0.89           C  
ATOM    645  C   ALA A  41       7.521  -6.446   5.457  1.00  0.80           C  
ATOM    646  O   ALA A  41       6.771  -6.343   4.504  1.00  0.86           O  
ATOM    647  CB  ALA A  41       9.271  -8.242   5.691  1.00  1.03           C  
ATOM    648  H   ALA A  41      10.284  -6.354   6.939  1.00  0.91           H  
ATOM    649  HA  ALA A  41       9.284  -6.666   4.226  1.00  0.92           H  
ATOM    650  HB1 ALA A  41      10.330  -8.446   5.626  1.00  1.51           H  
ATOM    651  HB2 ALA A  41       8.735  -8.919   5.043  1.00  1.46           H  
ATOM    652  HB3 ALA A  41       8.940  -8.381   6.710  1.00  1.45           H  
ATOM    653  N   ARG A  42       7.099  -6.250   6.686  1.00  0.74           N  
ATOM    654  CA  ARG A  42       5.668  -5.893   6.948  1.00  0.69           C  
ATOM    655  C   ARG A  42       5.500  -4.364   7.025  1.00  0.55           C  
ATOM    656  O   ARG A  42       4.579  -3.867   7.652  1.00  0.53           O  
ATOM    657  CB  ARG A  42       5.337  -6.544   8.296  1.00  0.80           C  
ATOM    658  CG  ARG A  42       5.159  -8.053   8.105  1.00  1.10           C  
ATOM    659  CD  ARG A  42       5.309  -8.765   9.453  1.00  1.61           C  
ATOM    660  NE  ARG A  42       5.169 -10.216   9.141  1.00  1.90           N  
ATOM    661  CZ  ARG A  42       4.148 -10.890   9.602  1.00  2.40           C  
ATOM    662  NH1 ARG A  42       3.029 -10.924   8.925  1.00  3.04           N  
ATOM    663  NH2 ARG A  42       4.248 -11.532  10.738  1.00  2.91           N  
ATOM    664  H   ARG A  42       7.726  -6.331   7.436  1.00  0.78           H  
ATOM    665  HA  ARG A  42       5.033  -6.301   6.178  1.00  0.73           H  
ATOM    666  HB2 ARG A  42       6.144  -6.361   8.992  1.00  0.92           H  
ATOM    667  HB3 ARG A  42       4.423  -6.123   8.685  1.00  0.91           H  
ATOM    668  HG2 ARG A  42       4.177  -8.251   7.700  1.00  1.61           H  
ATOM    669  HG3 ARG A  42       5.911  -8.420   7.422  1.00  1.60           H  
ATOM    670  HD2 ARG A  42       6.282  -8.561   9.877  1.00  2.21           H  
ATOM    671  HD3 ARG A  42       4.529  -8.455  10.131  1.00  2.14           H  
ATOM    672  HE  ARG A  42       5.844 -10.665   8.589  1.00  2.27           H  
ATOM    673 HH11 ARG A  42       2.954 -10.435   8.055  1.00  3.28           H  
ATOM    674 HH12 ARG A  42       2.247 -11.439   9.276  1.00  3.62           H  
ATOM    675 HH21 ARG A  42       5.104 -11.506  11.255  1.00  3.08           H  
ATOM    676 HH22 ARG A  42       3.467 -12.048  11.092  1.00  3.48           H  
ATOM    677  N   CYS A  43       6.381  -3.620   6.382  1.00  0.51           N  
ATOM    678  CA  CYS A  43       6.295  -2.123   6.395  1.00  0.43           C  
ATOM    679  C   CYS A  43       6.312  -1.597   7.839  1.00  0.49           C  
ATOM    680  O   CYS A  43       5.428  -0.875   8.258  1.00  0.57           O  
ATOM    681  CB  CYS A  43       4.971  -1.781   5.690  1.00  0.41           C  
ATOM    682  SG  CYS A  43       4.783  -2.792   4.199  1.00  0.49           S  
ATOM    683  H   CYS A  43       7.104  -4.048   5.883  1.00  0.56           H  
ATOM    684  HA  CYS A  43       7.119  -1.705   5.843  1.00  0.43           H  
ATOM    685  HB2 CYS A  43       4.146  -1.975   6.359  1.00  0.44           H  
ATOM    686  HB3 CYS A  43       4.970  -0.738   5.415  1.00  0.43           H  
ATOM    687  HG  CYS A  43       4.372  -3.621   4.453  1.00  0.93           H  
ATOM    688  N   GLU A  44       7.316  -1.959   8.602  1.00  0.55           N  
ATOM    689  CA  GLU A  44       7.394  -1.491  10.023  1.00  0.65           C  
ATOM    690  C   GLU A  44       8.450  -0.386  10.182  1.00  0.65           C  
ATOM    691  O   GLU A  44       8.185   0.647  10.769  1.00  0.74           O  
ATOM    692  CB  GLU A  44       7.788  -2.732  10.829  1.00  0.78           C  
ATOM    693  CG  GLU A  44       7.065  -2.716  12.178  1.00  1.57           C  
ATOM    694  CD  GLU A  44       7.240  -4.070  12.868  1.00  2.00           C  
ATOM    695  OE1 GLU A  44       8.258  -4.257  13.515  1.00  2.53           O  
ATOM    696  OE2 GLU A  44       6.352  -4.898  12.741  1.00  2.48           O  
ATOM    697  H   GLU A  44       8.018  -2.543   8.242  1.00  0.61           H  
ATOM    698  HA  GLU A  44       6.431  -1.134  10.351  1.00  0.68           H  
ATOM    699  HB2 GLU A  44       7.509  -3.621  10.281  1.00  1.22           H  
ATOM    700  HB3 GLU A  44       8.855  -2.731  10.995  1.00  1.33           H  
ATOM    701  HG2 GLU A  44       7.482  -1.937  12.800  1.00  2.18           H  
ATOM    702  HG3 GLU A  44       6.013  -2.527  12.020  1.00  2.17           H  
ATOM    703  N   ARG A  45       9.640  -0.594   9.667  1.00  0.64           N  
ATOM    704  CA  ARG A  45      10.710   0.448   9.793  1.00  0.70           C  
ATOM    705  C   ARG A  45      10.502   1.551   8.748  1.00  0.62           C  
ATOM    706  O   ARG A  45       9.671   1.432   7.868  1.00  0.74           O  
ATOM    707  CB  ARG A  45      12.030  -0.290   9.539  1.00  0.81           C  
ATOM    708  CG  ARG A  45      12.451  -1.047  10.802  1.00  1.00           C  
ATOM    709  CD  ARG A  45      13.732  -1.839  10.519  1.00  1.48           C  
ATOM    710  NE  ARG A  45      14.256  -2.224  11.861  1.00  1.73           N  
ATOM    711  CZ  ARG A  45      15.306  -1.619  12.353  1.00  2.23           C  
ATOM    712  NH1 ARG A  45      16.505  -2.072  12.089  1.00  2.72           N  
ATOM    713  NH2 ARG A  45      15.156  -0.561  13.109  1.00  2.88           N  
ATOM    714  H   ARG A  45       9.829  -1.434   9.195  1.00  0.66           H  
ATOM    715  HA  ARG A  45      10.709   0.867  10.787  1.00  0.79           H  
ATOM    716  HB2 ARG A  45      11.901  -0.990   8.727  1.00  1.12           H  
ATOM    717  HB3 ARG A  45      12.797   0.424   9.280  1.00  1.12           H  
ATOM    718  HG2 ARG A  45      12.631  -0.342  11.601  1.00  1.40           H  
ATOM    719  HG3 ARG A  45      11.666  -1.728  11.093  1.00  1.63           H  
ATOM    720  HD2 ARG A  45      13.505  -2.720   9.934  1.00  2.13           H  
ATOM    721  HD3 ARG A  45      14.451  -1.221  10.005  1.00  2.02           H  
ATOM    722  HE  ARG A  45      13.814  -2.932  12.375  1.00  2.11           H  
ATOM    723 HH11 ARG A  45      16.619  -2.881  11.512  1.00  2.92           H  
ATOM    724 HH12 ARG A  45      17.310  -1.610  12.464  1.00  3.24           H  
ATOM    725 HH21 ARG A  45      14.239  -0.216  13.310  1.00  3.14           H  
ATOM    726 HH22 ARG A  45      15.958  -0.096  13.485  1.00  3.44           H  
ATOM    727  N   VAL A  46      11.249   2.627   8.840  1.00  0.64           N  
ATOM    728  CA  VAL A  46      11.089   3.739   7.852  1.00  0.60           C  
ATOM    729  C   VAL A  46      12.443   4.393   7.540  1.00  0.62           C  
ATOM    730  O   VAL A  46      13.359   4.369   8.343  1.00  0.74           O  
ATOM    731  CB  VAL A  46      10.133   4.738   8.521  1.00  0.79           C  
ATOM    732  CG1 VAL A  46      10.844   5.484   9.658  1.00  1.05           C  
ATOM    733  CG2 VAL A  46       9.637   5.748   7.480  1.00  1.01           C  
ATOM    734  H   VAL A  46      11.911   2.703   9.559  1.00  0.80           H  
ATOM    735  HA  VAL A  46      10.644   3.366   6.943  1.00  0.60           H  
ATOM    736  HB  VAL A  46       9.290   4.201   8.925  1.00  0.92           H  
ATOM    737 HG11 VAL A  46      10.114   6.011  10.254  1.00  1.60           H  
ATOM    738 HG12 VAL A  46      11.547   6.191   9.242  1.00  1.38           H  
ATOM    739 HG13 VAL A  46      11.372   4.776  10.279  1.00  1.57           H  
ATOM    740 HG21 VAL A  46       8.818   6.318   7.893  1.00  1.39           H  
ATOM    741 HG22 VAL A  46       9.299   5.220   6.601  1.00  1.61           H  
ATOM    742 HG23 VAL A  46      10.442   6.415   7.212  1.00  1.46           H  
ATOM    743  N   ASP A  47      12.562   4.982   6.377  1.00  0.62           N  
ATOM    744  CA  ASP A  47      13.840   5.652   5.986  1.00  0.74           C  
ATOM    745  C   ASP A  47      13.626   7.170   5.867  1.00  0.88           C  
ATOM    746  O   ASP A  47      14.158   7.813   4.979  1.00  1.46           O  
ATOM    747  CB  ASP A  47      14.202   5.043   4.625  1.00  0.85           C  
ATOM    748  CG  ASP A  47      15.722   5.066   4.437  1.00  1.11           C  
ATOM    749  OD1 ASP A  47      16.377   4.176   4.956  1.00  1.55           O  
ATOM    750  OD2 ASP A  47      16.204   5.971   3.776  1.00  1.73           O  
ATOM    751  H   ASP A  47      11.802   4.986   5.757  1.00  0.63           H  
ATOM    752  HA  ASP A  47      14.615   5.436   6.704  1.00  0.93           H  
ATOM    753  HB2 ASP A  47      13.849   4.023   4.582  1.00  0.91           H  
ATOM    754  HB3 ASP A  47      13.736   5.618   3.838  1.00  0.99           H  
ATOM    755  N   LEU A  48      12.848   7.746   6.755  1.00  1.06           N  
ATOM    756  CA  LEU A  48      12.593   9.217   6.697  1.00  1.27           C  
ATOM    757  C   LEU A  48      12.138   9.737   8.067  1.00  1.77           C  
ATOM    758  O   LEU A  48      11.038   9.462   8.510  1.00  2.46           O  
ATOM    759  CB  LEU A  48      11.478   9.385   5.658  1.00  2.02           C  
ATOM    760  CG  LEU A  48      11.770  10.608   4.787  1.00  2.56           C  
ATOM    761  CD1 LEU A  48      11.341  10.326   3.345  1.00  3.25           C  
ATOM    762  CD2 LEU A  48      10.994  11.814   5.324  1.00  3.39           C  
ATOM    763  H   LEU A  48      12.431   7.209   7.460  1.00  1.47           H  
ATOM    764  HA  LEU A  48      13.480   9.740   6.372  1.00  1.35           H  
ATOM    765  HB2 LEU A  48      11.430   8.502   5.037  1.00  2.38           H  
ATOM    766  HB3 LEU A  48      10.533   9.522   6.163  1.00  2.49           H  
ATOM    767  HG  LEU A  48      12.829  10.820   4.811  1.00  2.64           H  
ATOM    768 HD11 LEU A  48      10.303  10.025   3.329  1.00  3.74           H  
ATOM    769 HD12 LEU A  48      11.951   9.534   2.936  1.00  3.50           H  
ATOM    770 HD13 LEU A  48      11.465  11.219   2.750  1.00  3.59           H  
ATOM    771 HD21 LEU A  48      11.255  12.693   4.754  1.00  3.64           H  
ATOM    772 HD22 LEU A  48      11.246  11.970   6.362  1.00  3.86           H  
ATOM    773 HD23 LEU A  48       9.933  11.628   5.235  1.00  3.83           H  
ATOM    774  N   PHE A  49      12.978  10.488   8.737  1.00  2.25           N  
ATOM    775  CA  PHE A  49      12.599  11.035  10.078  1.00  3.13           C  
ATOM    776  C   PHE A  49      11.932  12.407   9.921  1.00  3.43           C  
ATOM    777  O   PHE A  49      10.816  12.613  10.359  1.00  4.10           O  
ATOM    778  CB  PHE A  49      13.914  11.152  10.857  1.00  4.02           C  
ATOM    779  CG  PHE A  49      14.154   9.876  11.631  1.00  4.85           C  
ATOM    780  CD1 PHE A  49      14.704   8.759  10.989  1.00  5.49           C  
ATOM    781  CD2 PHE A  49      13.824   9.810  12.991  1.00  5.44           C  
ATOM    782  CE1 PHE A  49      14.924   7.577  11.706  1.00  6.54           C  
ATOM    783  CE2 PHE A  49      14.044   8.628  13.707  1.00  6.50           C  
ATOM    784  CZ  PHE A  49      14.593   7.512  13.065  1.00  6.99           C  
ATOM    785  H   PHE A  49      13.857  10.697   8.356  1.00  2.47           H  
ATOM    786  HA  PHE A  49      11.933  10.353  10.584  1.00  3.49           H  
ATOM    787  HB2 PHE A  49      14.729  11.314  10.167  1.00  4.03           H  
ATOM    788  HB3 PHE A  49      13.853  11.983  11.544  1.00  4.48           H  
ATOM    789  HD1 PHE A  49      14.959   8.810   9.941  1.00  5.44           H  
ATOM    790  HD2 PHE A  49      13.400  10.670  13.486  1.00  5.34           H  
ATOM    791  HE1 PHE A  49      15.347   6.716  11.211  1.00  7.21           H  
ATOM    792  HE2 PHE A  49      13.789   8.577  14.755  1.00  7.15           H  
ATOM    793  HZ  PHE A  49      14.763   6.600  13.619  1.00  7.92           H  
ATOM    794  N   TYR A  50      12.607  13.344   9.296  1.00  3.50           N  
ATOM    795  CA  TYR A  50      12.013  14.705   9.106  1.00  4.46           C  
ATOM    796  C   TYR A  50      11.237  14.767   7.783  1.00  4.70           C  
ATOM    797  O   TYR A  50      11.847  14.567   6.744  1.00  5.01           O  
ATOM    798  CB  TYR A  50      13.206  15.669   9.083  1.00  5.06           C  
ATOM    799  CG  TYR A  50      13.667  15.936  10.498  1.00  5.74           C  
ATOM    800  CD1 TYR A  50      14.618  15.099  11.094  1.00  6.26           C  
ATOM    801  CD2 TYR A  50      13.143  17.020  11.214  1.00  6.28           C  
ATOM    802  CE1 TYR A  50      15.045  15.344  12.404  1.00  7.19           C  
ATOM    803  CE2 TYR A  50      13.570  17.265  12.524  1.00  7.22           C  
ATOM    804  CZ  TYR A  50      14.521  16.427  13.119  1.00  7.63           C  
ATOM    805  OH  TYR A  50      14.943  16.669  14.412  1.00  8.73           O  
ATOM    806  OXT TYR A  50      10.043  15.011   7.834  1.00  5.01           O  
ATOM    807  H   TYR A  50      13.504  13.151   8.949  1.00  3.27           H  
ATOM    808  HA  TYR A  50      11.363  14.947   9.932  1.00  5.01           H  
ATOM    809  HB2 TYR A  50      14.014  15.228   8.517  1.00  5.22           H  
ATOM    810  HB3 TYR A  50      12.908  16.598   8.621  1.00  5.31           H  
ATOM    811  HD1 TYR A  50      15.023  14.263  10.542  1.00  6.19           H  
ATOM    812  HD2 TYR A  50      12.410  17.667  10.755  1.00  6.23           H  
ATOM    813  HE1 TYR A  50      15.778  14.697  12.862  1.00  7.78           H  
ATOM    814  HE2 TYR A  50      13.166  18.101  13.076  1.00  7.83           H  
ATOM    815  HH  TYR A  50      14.387  16.160  15.007  1.00  9.02           H  
TER     816      TYR A  50                                                      
CONECT  133  361                                                                
CONECT  278  529                                                                
CONECT  361  133                                                                
CONECT  529  278                                                                
CONECT  556  682                                                                
CONECT  682  556                                                                
MASTER      124    0    0    1    5    0    0    6  412    1    6    4          
END