HEADER    HORMONE/GROWTH FACTOR                   23-AUG-01   1JU8              
TITLE     SOLUTION STRUCTURE OF LEGINSULIN, A PLANT HORMON                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: LEGINSULIN;                                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 1-37;                                             
COMPND   5 SYNONYM: ALBUMIN 1;                                                  
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN LEGUMES OF GLYCINE  
SOURCE   4 MAX.                                                                 
KEYWDS    T-KNOT, HORMONE-GROWTH FACTOR COMPLEX                                 
EXPDTA    SOLUTION NMR                                                          
AUTHOR    T.YAMAZAKI,M.TAKAOKA,E.KATOH,K.HANADA,M.SAKITA,K.SAKATA,Y.NISHIUCHI,  
AUTHOR   2 H.HIRANO                                                             
REVDAT   3   23-FEB-22 1JU8    1       REMARK                                   
REVDAT   2   24-FEB-09 1JU8    1       VERSN                                    
REVDAT   1   17-JUN-03 1JU8    0                                                
JRNL        AUTH   T.YAMAZAKI,M.TAKAOKA,E.KATOH,K.HANADA,M.SAKITA,K.SAKATA,     
JRNL        AUTH 2 Y.NISHIUCHI,H.HIRANO                                         
JRNL        TITL   A POSSIBLE PHYSIOLOGICAL FUNCTION AND THE TERTIARY STRUCTURE 
JRNL        TITL 2 OF A 4-KDA PEPTIDE IN LEGUMES                                
JRNL        REF    EUR.J.BIOCHEM.                V. 270  1269 2003              
JRNL        REFN                   ISSN 0014-2956                               
JRNL        PMID   12631285                                                     
JRNL        DOI    10.1046/J.1432-1033.2003.03489.X                             
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: NULL                                      
REMARK   4                                                                      
REMARK   4 1JU8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-SEP-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000014191.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 1.8                                
REMARK 210  IONIC STRENGTH                 : 0.0                                
REMARK 210  PRESSURE                       : AMIENT                             
REMARK 210  SAMPLE CONTENTS                : 4MM LEGINSULIN NON-LABELED; 70%    
REMARK 210                                   H2O, 30% CD3COOD                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY; DQF-COSY; 2D HOHAHA      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 750 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, XWINNMR                   
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY SIMULATED        
REMARK 210                                   ANNEALING MOLECULAR DYNAMICS       
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : THE SUBMITTED CONFORMER MODELS     
REMARK 210                                   ARE THE 15 STRUCTURES WITH THE     
REMARK 210                                   LOWEST ENERGY.                     
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
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    ASP A   2      -89.89   -102.26                                   
REMARK 500    VAL A  12      118.63   -160.62                                   
REMARK 500    CYS A  15      -46.78   -141.19                                   
REMARK 500    ARG A  16      -20.31    149.29                                   
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  16         0.08    SIDE CHAIN                              
REMARK 500    ARG A  18         0.17    SIDE CHAIN                              
REMARK 500    ARG A  21         0.28    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1JU8 A    1    37  UNP    Q39837   ALB1_SOYBN      20     56             
SEQRES   1 A   37  ALA ASP CYS ASN GLY ALA CYS SER PRO PHE GLU VAL PRO          
SEQRES   2 A   37  PRO CYS ARG SER ARG ASP CYS ARG CYS VAL PRO ILE GLY          
SEQRES   3 A   37  LEU PHE VAL GLY PHE CYS ILE HIS PRO THR GLY                  
SHEET    1   A 3 ALA A   6  CYS A   7  0                                        
SHEET    2   A 3 GLY A  30  ILE A  33 -1  O  GLY A  30   N  CYS A   7           
SHEET    3   A 3 ARG A  21  PRO A  24 -1  N  VAL A  23   O  PHE A  31           
SSBOND   1 CYS A    3    CYS A   20                          1555   1555  2.02  
SSBOND   2 CYS A    7    CYS A   22                          1555   1555  2.02  
SSBOND   3 CYS A   15    CYS A   32                          1555   1555  2.01  
CISPEP   1 VAL A   12    PRO A   13          0         0.25                     
CRYST1                                                               1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
ATOM      1  N   ALA A   1     -10.350   0.477  10.028  1.00  3.24           N  
ATOM      2  CA  ALA A   1      -9.108   0.005   9.354  1.00  2.48           C  
ATOM      3  C   ALA A   1      -8.446   1.183   8.640  1.00  1.92           C  
ATOM      4  O   ALA A   1      -9.102   1.971   7.988  1.00  2.14           O  
ATOM      5  CB  ALA A   1      -9.462  -1.079   8.333  1.00  2.50           C  
ATOM      6  H1  ALA A   1     -11.168  -0.044   9.654  1.00  3.53           H  
ATOM      7  H2  ALA A   1     -10.473   1.495   9.851  1.00  3.61           H  
ATOM      8  H3  ALA A   1     -10.275   0.309  11.051  1.00  3.60           H  
ATOM      9  HA  ALA A   1      -8.429  -0.399  10.091  1.00  2.70           H  
ATOM     10  HB1 ALA A   1     -10.413  -1.521   8.592  1.00  2.97           H  
ATOM     11  HB2 ALA A   1      -8.697  -1.842   8.338  1.00  2.63           H  
ATOM     12  HB3 ALA A   1      -9.526  -0.640   7.348  1.00  2.63           H  
ATOM     13  N   ASP A   2      -7.154   1.316   8.757  1.00  1.44           N  
ATOM     14  CA  ASP A   2      -6.464   2.450   8.082  1.00  1.10           C  
ATOM     15  C   ASP A   2      -5.772   1.948   6.813  1.00  0.91           C  
ATOM     16  O   ASP A   2      -6.346   1.949   5.742  1.00  1.12           O  
ATOM     17  CB  ASP A   2      -5.425   3.056   9.027  1.00  1.17           C  
ATOM     18  CG  ASP A   2      -6.134   3.894  10.094  1.00  1.50           C  
ATOM     19  OD1 ASP A   2      -7.098   3.405  10.660  1.00  2.09           O  
ATOM     20  OD2 ASP A   2      -5.702   5.012  10.325  1.00  1.77           O  
ATOM     21  H   ASP A   2      -6.639   0.673   9.288  1.00  1.54           H  
ATOM     22  HA  ASP A   2      -7.191   3.204   7.818  1.00  1.38           H  
ATOM     23  HB2 ASP A   2      -4.866   2.264   9.503  1.00  1.30           H  
ATOM     24  HB3 ASP A   2      -4.753   3.686   8.466  1.00  1.24           H  
ATOM     25  N   CYS A   3      -4.541   1.527   6.920  1.00  0.64           N  
ATOM     26  CA  CYS A   3      -3.818   1.039   5.717  1.00  0.53           C  
ATOM     27  C   CYS A   3      -3.722  -0.490   5.753  1.00  0.42           C  
ATOM     28  O   CYS A   3      -2.839  -1.060   6.379  1.00  0.39           O  
ATOM     29  CB  CYS A   3      -2.420   1.642   5.704  1.00  0.52           C  
ATOM     30  SG  CYS A   3      -1.821   1.742   4.002  1.00  0.76           S  
ATOM     31  H   CYS A   3      -4.088   1.540   7.787  1.00  0.66           H  
ATOM     32  HA  CYS A   3      -4.350   1.346   4.829  1.00  0.69           H  
ATOM     33  HB2 CYS A   3      -2.451   2.629   6.136  1.00  0.53           H  
ATOM     34  HB3 CYS A   3      -1.763   1.021   6.285  1.00  0.50           H  
ATOM     35  N   ASN A   4      -4.628  -1.149   5.080  1.00  0.46           N  
ATOM     36  CA  ASN A   4      -4.624  -2.641   5.042  1.00  0.53           C  
ATOM     37  C   ASN A   4      -5.237  -3.104   3.714  1.00  0.66           C  
ATOM     38  O   ASN A   4      -5.527  -2.303   2.847  1.00  1.56           O  
ATOM     39  CB  ASN A   4      -5.458  -3.186   6.204  1.00  0.65           C  
ATOM     40  CG  ASN A   4      -4.708  -2.971   7.520  1.00  1.20           C  
ATOM     41  OD1 ASN A   4      -3.494  -2.998   7.553  1.00  1.90           O  
ATOM     42  ND2 ASN A   4      -5.385  -2.760   8.615  1.00  1.80           N  
ATOM     43  H   ASN A   4      -5.317  -0.654   4.587  1.00  0.53           H  
ATOM     44  HA  ASN A   4      -3.610  -3.004   5.120  1.00  0.74           H  
ATOM     45  HB2 ASN A   4      -6.405  -2.667   6.240  1.00  0.87           H  
ATOM     46  HB3 ASN A   4      -5.631  -4.241   6.059  1.00  0.82           H  
ATOM     47 HD21 ASN A   4      -6.365  -2.739   8.590  1.00  2.24           H  
ATOM     48 HD22 ASN A   4      -4.914  -2.621   9.463  1.00  2.22           H  
ATOM     49  N   GLY A   5      -5.450  -4.383   3.544  1.00  0.56           N  
ATOM     50  CA  GLY A   5      -6.054  -4.866   2.267  1.00  0.76           C  
ATOM     51  C   GLY A   5      -4.986  -4.950   1.183  1.00  0.49           C  
ATOM     52  O   GLY A   5      -3.826  -5.187   1.450  1.00  0.94           O  
ATOM     53  H   GLY A   5      -5.220  -5.020   4.253  1.00  1.15           H  
ATOM     54  HA2 GLY A   5      -6.492  -5.839   2.408  1.00  1.13           H  
ATOM     55  HA3 GLY A   5      -6.820  -4.174   1.952  1.00  1.09           H  
ATOM     56  N   ALA A   6      -5.385  -4.764  -0.040  1.00  0.55           N  
ATOM     57  CA  ALA A   6      -4.417  -4.826  -1.175  1.00  0.32           C  
ATOM     58  C   ALA A   6      -3.890  -3.413  -1.472  1.00  0.42           C  
ATOM     59  O   ALA A   6      -4.620  -2.446  -1.385  1.00  0.63           O  
ATOM     60  CB  ALA A   6      -5.127  -5.376  -2.414  1.00  0.65           C  
ATOM     61  H   ALA A   6      -6.332  -4.589  -0.210  1.00  1.07           H  
ATOM     62  HA  ALA A   6      -3.599  -5.477  -0.913  1.00  0.37           H  
ATOM     63  HB1 ALA A   6      -4.396  -5.779  -3.099  1.00  1.02           H  
ATOM     64  HB2 ALA A   6      -5.674  -4.580  -2.898  1.00  1.27           H  
ATOM     65  HB3 ALA A   6      -5.813  -6.156  -2.119  1.00  1.41           H  
ATOM     66  N   CYS A   7      -2.631  -3.275  -1.819  1.00  0.41           N  
ATOM     67  CA  CYS A   7      -2.090  -1.909  -2.112  1.00  0.61           C  
ATOM     68  C   CYS A   7      -1.741  -1.779  -3.593  1.00  0.58           C  
ATOM     69  O   CYS A   7      -1.296  -2.719  -4.223  1.00  0.46           O  
ATOM     70  CB  CYS A   7      -0.834  -1.649  -1.267  1.00  0.77           C  
ATOM     71  SG  CYS A   7       0.562  -2.600  -1.913  1.00  0.94           S  
ATOM     72  H   CYS A   7      -2.048  -4.061  -1.885  1.00  0.36           H  
ATOM     73  HA  CYS A   7      -2.840  -1.173  -1.870  1.00  0.75           H  
ATOM     74  HB2 CYS A   7      -0.593  -0.598  -1.299  1.00  0.99           H  
ATOM     75  HB3 CYS A   7      -1.023  -1.942  -0.246  1.00  0.74           H  
ATOM     76  N   SER A   8      -1.939  -0.615  -4.155  1.00  0.71           N  
ATOM     77  CA  SER A   8      -1.618  -0.423  -5.591  1.00  0.69           C  
ATOM     78  C   SER A   8      -0.587   0.697  -5.781  1.00  0.64           C  
ATOM     79  O   SER A   8      -0.615   1.691  -5.084  1.00  0.58           O  
ATOM     80  CB  SER A   8      -2.874  -0.033  -6.365  1.00  0.63           C  
ATOM     81  OG  SER A   8      -3.864   0.437  -5.461  1.00  0.60           O  
ATOM     82  H   SER A   8      -2.299   0.129  -3.631  1.00  0.82           H  
ATOM     83  HA  SER A   8      -1.237  -1.345  -5.986  1.00  0.80           H  
ATOM     84  HB2 SER A   8      -2.628   0.752  -7.058  1.00  0.57           H  
ATOM     85  HB3 SER A   8      -3.238  -0.878  -6.917  1.00  0.72           H  
ATOM     86  HG  SER A   8      -4.719   0.355  -5.889  1.00  1.17           H  
ATOM     87  N   PRO A   9       0.254   0.519  -6.770  1.00  0.71           N  
ATOM     88  CA  PRO A   9       1.243   1.494  -7.141  1.00  0.76           C  
ATOM     89  C   PRO A   9       0.554   2.429  -8.122  1.00  0.66           C  
ATOM     90  O   PRO A   9       0.538   3.633  -7.954  1.00  0.66           O  
ATOM     91  CB  PRO A   9       2.344   0.634  -7.762  1.00  0.91           C  
ATOM     92  CG  PRO A   9       1.635  -0.632  -8.279  1.00  0.90           C  
ATOM     93  CD  PRO A   9       0.268  -0.669  -7.579  1.00  0.79           C  
ATOM     94  HA  PRO A   9       1.600   2.028  -6.282  1.00  0.79           H  
ATOM     95  HB2 PRO A   9       2.816   1.165  -8.579  1.00  0.95           H  
ATOM     96  HB3 PRO A   9       3.074   0.365  -7.016  1.00  1.02           H  
ATOM     97  HG2 PRO A   9       1.507  -0.574  -9.352  1.00  0.88           H  
ATOM     98  HG3 PRO A   9       2.203  -1.511  -8.018  1.00  1.02           H  
ATOM     99  HD2 PRO A   9      -0.539  -0.636  -8.300  1.00  0.74           H  
ATOM    100  HD3 PRO A   9       0.186  -1.539  -6.958  1.00  0.85           H  
ATOM    101  N   PHE A  10      -0.078   1.848  -9.102  1.00  0.62           N  
ATOM    102  CA  PHE A  10      -0.859   2.625 -10.080  1.00  0.58           C  
ATOM    103  C   PHE A  10      -1.692   3.625  -9.301  1.00  0.51           C  
ATOM    104  O   PHE A  10      -2.055   4.681  -9.779  1.00  0.55           O  
ATOM    105  CB  PHE A  10      -1.810   1.654 -10.783  1.00  0.57           C  
ATOM    106  CG  PHE A  10      -1.099   0.981 -11.931  1.00  0.67           C  
ATOM    107  CD1 PHE A  10      -0.734   1.726 -13.058  1.00  0.80           C  
ATOM    108  CD2 PHE A  10      -0.809  -0.387 -11.872  1.00  0.75           C  
ATOM    109  CE1 PHE A  10      -0.078   1.104 -14.126  1.00  0.91           C  
ATOM    110  CE2 PHE A  10      -0.152  -1.010 -12.940  1.00  0.86           C  
ATOM    111  CZ  PHE A  10       0.212  -0.265 -14.068  1.00  0.89           C  
ATOM    112  H   PHE A  10      -0.077   0.880  -9.163  1.00  0.67           H  
ATOM    113  HA  PHE A  10      -0.217   3.118 -10.792  1.00  0.65           H  
ATOM    114  HB2 PHE A  10      -2.145   0.900 -10.066  1.00  0.59           H  
ATOM    115  HB3 PHE A  10      -2.666   2.198 -11.154  1.00  0.56           H  
ATOM    116  HD1 PHE A  10      -0.958   2.782 -13.103  1.00  0.88           H  
ATOM    117  HD2 PHE A  10      -1.091  -0.962 -11.002  1.00  0.81           H  
ATOM    118  HE1 PHE A  10       0.204   1.679 -14.996  1.00  1.05           H  
ATOM    119  HE2 PHE A  10       0.072  -2.066 -12.895  1.00  0.97           H  
ATOM    120  HZ  PHE A  10       0.718  -0.745 -14.892  1.00  0.99           H  
ATOM    121  N   GLU A  11      -2.011   3.262  -8.094  1.00  0.45           N  
ATOM    122  CA  GLU A  11      -2.841   4.130  -7.239  1.00  0.41           C  
ATOM    123  C   GLU A  11      -1.961   4.974  -6.315  1.00  0.43           C  
ATOM    124  O   GLU A  11      -0.869   4.591  -5.949  1.00  0.45           O  
ATOM    125  CB  GLU A  11      -3.799   3.228  -6.450  1.00  0.37           C  
ATOM    126  CG  GLU A  11      -4.093   3.789  -5.063  1.00  0.35           C  
ATOM    127  CD  GLU A  11      -5.027   4.997  -5.175  1.00  0.46           C  
ATOM    128  OE1 GLU A  11      -5.205   5.484  -6.280  1.00  1.00           O  
ATOM    129  OE2 GLU A  11      -5.550   5.411  -4.155  1.00  1.32           O  
ATOM    130  H   GLU A  11      -1.710   2.392  -7.752  1.00  0.47           H  
ATOM    131  HA  GLU A  11      -3.415   4.779  -7.870  1.00  0.46           H  
ATOM    132  HB2 GLU A  11      -4.725   3.150  -6.994  1.00  0.42           H  
ATOM    133  HB3 GLU A  11      -3.362   2.251  -6.351  1.00  0.36           H  
ATOM    134  HG2 GLU A  11      -4.561   3.018  -4.470  1.00  0.35           H  
ATOM    135  HG3 GLU A  11      -3.169   4.085  -4.597  1.00  0.34           H  
ATOM    136  N   VAL A  12      -2.449   6.126  -5.942  1.00  0.47           N  
ATOM    137  CA  VAL A  12      -1.681   7.035  -5.041  1.00  0.54           C  
ATOM    138  C   VAL A  12      -2.657   8.037  -4.400  1.00  0.59           C  
ATOM    139  O   VAL A  12      -3.291   8.799  -5.104  1.00  0.65           O  
ATOM    140  CB  VAL A  12      -0.639   7.806  -5.857  1.00  0.64           C  
ATOM    141  CG1 VAL A  12       0.368   8.455  -4.908  1.00  0.85           C  
ATOM    142  CG2 VAL A  12       0.101   6.851  -6.796  1.00  0.72           C  
ATOM    143  H   VAL A  12      -3.337   6.394  -6.258  1.00  0.49           H  
ATOM    144  HA  VAL A  12      -1.185   6.456  -4.279  1.00  0.50           H  
ATOM    145  HB  VAL A  12      -1.133   8.573  -6.436  1.00  0.73           H  
ATOM    146 HG11 VAL A  12       0.148   9.508  -4.815  1.00  1.42           H  
ATOM    147 HG12 VAL A  12       1.365   8.329  -5.301  1.00  1.48           H  
ATOM    148 HG13 VAL A  12       0.302   7.984  -3.937  1.00  1.22           H  
ATOM    149 HG21 VAL A  12      -0.596   6.426  -7.502  1.00  1.08           H  
ATOM    150 HG22 VAL A  12       0.559   6.062  -6.219  1.00  1.34           H  
ATOM    151 HG23 VAL A  12       0.866   7.394  -7.330  1.00  1.39           H  
ATOM    152  N   PRO A  13      -2.761   8.014  -3.091  1.00  0.58           N  
ATOM    153  CA  PRO A  13      -2.009   7.109  -2.240  1.00  0.51           C  
ATOM    154  C   PRO A  13      -2.420   5.663  -2.525  1.00  0.42           C  
ATOM    155  O   PRO A  13      -3.523   5.420  -2.973  1.00  0.43           O  
ATOM    156  CB  PRO A  13      -2.359   7.591  -0.829  1.00  0.54           C  
ATOM    157  CG  PRO A  13      -3.712   8.285  -0.981  1.00  0.59           C  
ATOM    158  CD  PRO A  13      -3.653   8.902  -2.377  1.00  0.64           C  
ATOM    159  HA  PRO A  13      -0.952   7.233  -2.412  1.00  0.55           H  
ATOM    160  HB2 PRO A  13      -2.438   6.749  -0.153  1.00  0.48           H  
ATOM    161  HB3 PRO A  13      -1.622   8.293  -0.474  1.00  0.60           H  
ATOM    162  HG2 PRO A  13      -4.516   7.564  -0.912  1.00  0.55           H  
ATOM    163  HG3 PRO A  13      -3.828   9.059  -0.239  1.00  0.65           H  
ATOM    164  HD2 PRO A  13      -4.635   8.908  -2.831  1.00  0.66           H  
ATOM    165  HD3 PRO A  13      -3.240   9.897  -2.338  1.00  0.73           H  
ATOM    166  N   PRO A  14      -1.513   4.756  -2.274  1.00  0.42           N  
ATOM    167  CA  PRO A  14      -1.739   3.344  -2.513  1.00  0.40           C  
ATOM    168  C   PRO A  14      -2.814   2.799  -1.589  1.00  0.29           C  
ATOM    169  O   PRO A  14      -3.330   1.722  -1.810  1.00  0.42           O  
ATOM    170  CB  PRO A  14      -0.365   2.729  -2.254  1.00  0.59           C  
ATOM    171  CG  PRO A  14       0.323   3.709  -1.302  1.00  0.65           C  
ATOM    172  CD  PRO A  14      -0.204   5.071  -1.737  1.00  0.55           C  
ATOM    173  HA  PRO A  14      -2.020   3.186  -3.526  1.00  0.47           H  
ATOM    174  HB2 PRO A  14      -0.476   1.760  -1.789  1.00  0.61           H  
ATOM    175  HB3 PRO A  14       0.195   2.649  -3.172  1.00  0.72           H  
ATOM    176  HG2 PRO A  14       0.043   3.499  -0.277  1.00  0.64           H  
ATOM    177  HG3 PRO A  14       1.394   3.670  -1.423  1.00  0.83           H  
ATOM    178  HD2 PRO A  14      -0.284   5.738  -0.890  1.00  0.52           H  
ATOM    179  HD3 PRO A  14       0.424   5.493  -2.504  1.00  0.67           H  
ATOM    180  N   CYS A  15      -3.131   3.496  -0.547  1.00  0.39           N  
ATOM    181  CA  CYS A  15      -4.141   2.966   0.388  1.00  0.54           C  
ATOM    182  C   CYS A  15      -5.022   4.080   0.878  1.00  0.50           C  
ATOM    183  O   CYS A  15      -6.232   3.980   0.908  1.00  0.63           O  
ATOM    184  CB  CYS A  15      -3.396   2.365   1.565  1.00  0.77           C  
ATOM    185  SG  CYS A  15      -1.996   1.406   0.933  1.00  1.53           S  
ATOM    186  H   CYS A  15      -2.685   4.345  -0.359  1.00  0.52           H  
ATOM    187  HA  CYS A  15      -4.727   2.226  -0.088  1.00  0.72           H  
ATOM    188  HB2 CYS A  15      -3.035   3.163   2.203  1.00  0.62           H  
ATOM    189  HB3 CYS A  15      -4.055   1.724   2.123  1.00  0.96           H  
ATOM    190  N   ARG A  16      -4.391   5.129   1.257  1.00  0.41           N  
ATOM    191  CA  ARG A  16      -5.112   6.331   1.784  1.00  0.49           C  
ATOM    192  C   ARG A  16      -4.235   7.057   2.813  1.00  0.50           C  
ATOM    193  O   ARG A  16      -4.457   8.214   3.106  1.00  0.62           O  
ATOM    194  CB  ARG A  16      -6.427   5.895   2.460  1.00  0.62           C  
ATOM    195  CG  ARG A  16      -6.948   6.994   3.393  1.00  1.18           C  
ATOM    196  CD  ARG A  16      -7.248   8.257   2.587  1.00  1.79           C  
ATOM    197  NE  ARG A  16      -8.702   8.301   2.252  1.00  2.23           N  
ATOM    198  CZ  ARG A  16      -9.358   9.430   2.311  1.00  2.81           C  
ATOM    199  NH1 ARG A  16      -8.714  10.565   2.357  1.00  3.24           N  
ATOM    200  NH2 ARG A  16     -10.662   9.422   2.320  1.00  3.48           N  
ATOM    201  H   ARG A  16      -3.417   5.119   1.184  1.00  0.36           H  
ATOM    202  HA  ARG A  16      -5.334   7.001   0.968  1.00  0.58           H  
ATOM    203  HB2 ARG A  16      -7.168   5.694   1.700  1.00  1.05           H  
ATOM    204  HB3 ARG A  16      -6.251   4.997   3.032  1.00  1.23           H  
ATOM    205  HG2 ARG A  16      -7.852   6.653   3.877  1.00  1.86           H  
ATOM    206  HG3 ARG A  16      -6.200   7.214   4.140  1.00  1.74           H  
ATOM    207  HD2 ARG A  16      -6.985   9.124   3.174  1.00  2.46           H  
ATOM    208  HD3 ARG A  16      -6.669   8.249   1.676  1.00  2.19           H  
ATOM    209  HE  ARG A  16      -9.168   7.481   1.985  1.00  2.54           H  
ATOM    210 HH11 ARG A  16      -7.716  10.576   2.345  1.00  3.31           H  
ATOM    211 HH12 ARG A  16      -9.221  11.425   2.406  1.00  3.82           H  
ATOM    212 HH21 ARG A  16     -11.158   8.554   2.281  1.00  3.64           H  
ATOM    213 HH22 ARG A  16     -11.167  10.284   2.364  1.00  4.10           H  
ATOM    214  N   SER A  17      -3.256   6.399   3.387  1.00  0.46           N  
ATOM    215  CA  SER A  17      -2.422   7.094   4.406  1.00  0.59           C  
ATOM    216  C   SER A  17      -0.961   7.156   3.953  1.00  0.59           C  
ATOM    217  O   SER A  17      -0.351   6.154   3.639  1.00  0.89           O  
ATOM    218  CB  SER A  17      -2.523   6.338   5.726  1.00  0.70           C  
ATOM    219  OG  SER A  17      -2.214   4.973   5.509  1.00  1.14           O  
ATOM    220  H   SER A  17      -3.080   5.453   3.166  1.00  0.42           H  
ATOM    221  HA  SER A  17      -2.793   8.099   4.543  1.00  0.93           H  
ATOM    222  HB2 SER A  17      -1.830   6.752   6.439  1.00  1.28           H  
ATOM    223  HB3 SER A  17      -3.529   6.428   6.108  1.00  0.93           H  
ATOM    224  HG  SER A  17      -2.804   4.447   6.054  1.00  1.67           H  
ATOM    225  N   ARG A  18      -0.399   8.335   3.926  1.00  0.75           N  
ATOM    226  CA  ARG A  18       1.021   8.486   3.503  1.00  0.95           C  
ATOM    227  C   ARG A  18       1.938   7.851   4.550  1.00  0.71           C  
ATOM    228  O   ARG A  18       2.972   7.297   4.233  1.00  0.97           O  
ATOM    229  CB  ARG A  18       1.360   9.974   3.378  1.00  1.37           C  
ATOM    230  CG  ARG A  18       0.697  10.754   4.516  1.00  1.42           C  
ATOM    231  CD  ARG A  18       1.539  11.987   4.854  1.00  1.82           C  
ATOM    232  NE  ARG A  18       0.997  12.638   6.079  1.00  2.38           N  
ATOM    233  CZ  ARG A  18       1.729  13.487   6.748  1.00  3.01           C  
ATOM    234  NH1 ARG A  18       2.559  14.272   6.118  1.00  3.69           N  
ATOM    235  NH2 ARG A  18       1.629  13.552   8.048  1.00  3.47           N  
ATOM    236  H   ARG A  18      -0.914   9.125   4.187  1.00  0.98           H  
ATOM    237  HA  ARG A  18       1.169   8.001   2.551  1.00  1.12           H  
ATOM    238  HB2 ARG A  18       2.427  10.100   3.435  1.00  1.46           H  
ATOM    239  HB3 ARG A  18       1.002  10.348   2.430  1.00  1.64           H  
ATOM    240  HG2 ARG A  18      -0.291  11.065   4.210  1.00  1.56           H  
ATOM    241  HG3 ARG A  18       0.622  10.123   5.389  1.00  1.19           H  
ATOM    242  HD2 ARG A  18       2.563  11.689   5.028  1.00  2.08           H  
ATOM    243  HD3 ARG A  18       1.504  12.685   4.029  1.00  2.02           H  
ATOM    244  HE  ARG A  18       0.090  12.427   6.385  1.00  2.67           H  
ATOM    245 HH11 ARG A  18       2.635  14.224   5.123  1.00  3.86           H  
ATOM    246 HH12 ARG A  18       3.120  14.922   6.631  1.00  4.31           H  
ATOM    247 HH21 ARG A  18       0.991  12.952   8.530  1.00  3.49           H  
ATOM    248 HH22 ARG A  18       2.188  14.202   8.561  1.00  4.11           H  
ATOM    249  N   ASP A  19       1.565   7.930   5.796  1.00  0.44           N  
ATOM    250  CA  ASP A  19       2.409   7.335   6.871  1.00  0.46           C  
ATOM    251  C   ASP A  19       2.448   5.820   6.695  1.00  0.41           C  
ATOM    252  O   ASP A  19       3.289   5.138   7.247  1.00  0.47           O  
ATOM    253  CB  ASP A  19       1.809   7.675   8.237  1.00  0.62           C  
ATOM    254  CG  ASP A  19       0.380   7.135   8.318  1.00  0.71           C  
ATOM    255  OD1 ASP A  19       0.215   5.930   8.221  1.00  1.17           O  
ATOM    256  OD2 ASP A  19      -0.527   7.936   8.478  1.00  1.43           O  
ATOM    257  H   ASP A  19       0.728   8.379   6.024  1.00  0.55           H  
ATOM    258  HA  ASP A  19       3.411   7.733   6.806  1.00  0.64           H  
ATOM    259  HB2 ASP A  19       2.409   7.225   9.015  1.00  0.84           H  
ATOM    260  HB3 ASP A  19       1.795   8.746   8.367  1.00  0.67           H  
ATOM    261  N   CYS A  20       1.540   5.292   5.928  1.00  0.34           N  
ATOM    262  CA  CYS A  20       1.509   3.820   5.706  1.00  0.33           C  
ATOM    263  C   CYS A  20       2.235   3.509   4.389  1.00  0.34           C  
ATOM    264  O   CYS A  20       2.617   4.408   3.666  1.00  0.50           O  
ATOM    265  CB  CYS A  20       0.040   3.365   5.670  1.00  0.35           C  
ATOM    266  SG  CYS A  20      -0.629   3.370   3.990  1.00  0.45           S  
ATOM    267  H   CYS A  20       0.872   5.868   5.496  1.00  0.35           H  
ATOM    268  HA  CYS A  20       2.020   3.323   6.521  1.00  0.36           H  
ATOM    269  HB2 CYS A  20      -0.039   2.375   6.065  1.00  0.45           H  
ATOM    270  HB3 CYS A  20      -0.544   4.032   6.285  1.00  0.45           H  
ATOM    271  N   ARG A  21       2.449   2.260   4.068  1.00  0.30           N  
ATOM    272  CA  ARG A  21       3.171   1.960   2.802  1.00  0.32           C  
ATOM    273  C   ARG A  21       2.571   0.754   2.084  1.00  0.35           C  
ATOM    274  O   ARG A  21       2.001  -0.140   2.684  1.00  0.40           O  
ATOM    275  CB  ARG A  21       4.639   1.681   3.096  1.00  0.40           C  
ATOM    276  CG  ARG A  21       4.774   0.979   4.448  1.00  0.48           C  
ATOM    277  CD  ARG A  21       6.167   0.359   4.553  1.00  0.88           C  
ATOM    278  NE  ARG A  21       6.345  -0.245   5.901  1.00  1.47           N  
ATOM    279  CZ  ARG A  21       7.508  -0.723   6.248  1.00  1.98           C  
ATOM    280  NH1 ARG A  21       8.539   0.072   6.334  1.00  2.87           N  
ATOM    281  NH2 ARG A  21       7.642  -1.996   6.501  1.00  2.24           N  
ATOM    282  H   ARG A  21       2.156   1.534   4.657  1.00  0.39           H  
ATOM    283  HA  ARG A  21       3.106   2.819   2.152  1.00  0.35           H  
ATOM    284  HB2 ARG A  21       5.045   1.048   2.318  1.00  0.42           H  
ATOM    285  HB3 ARG A  21       5.178   2.611   3.118  1.00  0.45           H  
ATOM    286  HG2 ARG A  21       4.637   1.698   5.243  1.00  0.64           H  
ATOM    287  HG3 ARG A  21       4.029   0.203   4.529  1.00  0.67           H  
ATOM    288  HD2 ARG A  21       6.278  -0.405   3.799  1.00  1.48           H  
ATOM    289  HD3 ARG A  21       6.913   1.126   4.401  1.00  1.53           H  
ATOM    290  HE  ARG A  21       5.591  -0.281   6.527  1.00  2.10           H  
ATOM    291 HH11 ARG A  21       8.436   1.047   6.137  1.00  3.24           H  
ATOM    292 HH12 ARG A  21       9.432  -0.293   6.597  1.00  3.41           H  
ATOM    293 HH21 ARG A  21       6.853  -2.607   6.431  1.00  2.34           H  
ATOM    294 HH22 ARG A  21       8.535  -2.362   6.763  1.00  2.79           H  
ATOM    295  N   CYS A  22       2.723   0.737   0.788  1.00  0.38           N  
ATOM    296  CA  CYS A  22       2.206  -0.392  -0.033  1.00  0.44           C  
ATOM    297  C   CYS A  22       3.314  -1.440  -0.152  1.00  0.37           C  
ATOM    298  O   CYS A  22       4.439  -1.127  -0.487  1.00  0.40           O  
ATOM    299  CB  CYS A  22       1.828   0.137  -1.428  1.00  0.55           C  
ATOM    300  SG  CYS A  22       1.819  -1.204  -2.657  1.00  1.03           S  
ATOM    301  H   CYS A  22       3.202   1.474   0.354  1.00  0.39           H  
ATOM    302  HA  CYS A  22       1.339  -0.826   0.443  1.00  0.52           H  
ATOM    303  HB2 CYS A  22       0.849   0.586  -1.385  1.00  0.49           H  
ATOM    304  HB3 CYS A  22       2.546   0.887  -1.728  1.00  0.64           H  
ATOM    305  N   VAL A  23       3.012  -2.676   0.119  1.00  0.33           N  
ATOM    306  CA  VAL A  23       4.060  -3.728   0.014  1.00  0.30           C  
ATOM    307  C   VAL A  23       3.716  -4.668  -1.145  1.00  0.27           C  
ATOM    308  O   VAL A  23       3.054  -5.668  -0.951  1.00  0.28           O  
ATOM    309  CB  VAL A  23       4.123  -4.523   1.322  1.00  0.35           C  
ATOM    310  CG1 VAL A  23       4.868  -5.841   1.095  1.00  0.44           C  
ATOM    311  CG2 VAL A  23       4.864  -3.701   2.379  1.00  0.38           C  
ATOM    312  H   VAL A  23       2.100  -2.912   0.389  1.00  0.36           H  
ATOM    313  HA  VAL A  23       5.017  -3.263  -0.172  1.00  0.32           H  
ATOM    314  HB  VAL A  23       3.120  -4.732   1.665  1.00  0.42           H  
ATOM    315 HG11 VAL A  23       4.156  -6.626   0.888  1.00  1.00           H  
ATOM    316 HG12 VAL A  23       5.434  -6.092   1.980  1.00  1.17           H  
ATOM    317 HG13 VAL A  23       5.540  -5.735   0.256  1.00  1.11           H  
ATOM    318 HG21 VAL A  23       4.361  -2.756   2.519  1.00  1.13           H  
ATOM    319 HG22 VAL A  23       5.878  -3.525   2.053  1.00  0.96           H  
ATOM    320 HG23 VAL A  23       4.876  -4.244   3.313  1.00  1.12           H  
ATOM    321  N   PRO A  24       4.186  -4.323  -2.317  1.00  0.30           N  
ATOM    322  CA  PRO A  24       3.952  -5.116  -3.501  1.00  0.33           C  
ATOM    323  C   PRO A  24       4.852  -6.345  -3.483  1.00  0.33           C  
ATOM    324  O   PRO A  24       6.049  -6.250  -3.666  1.00  0.39           O  
ATOM    325  CB  PRO A  24       4.256  -4.137  -4.636  1.00  0.45           C  
ATOM    326  CG  PRO A  24       5.228  -3.110  -4.044  1.00  0.49           C  
ATOM    327  CD  PRO A  24       4.971  -3.123  -2.534  1.00  0.38           C  
ATOM    328  HA  PRO A  24       2.920  -5.425  -3.550  1.00  0.32           H  
ATOM    329  HB2 PRO A  24       4.714  -4.659  -5.465  1.00  0.50           H  
ATOM    330  HB3 PRO A  24       3.352  -3.643  -4.956  1.00  0.49           H  
ATOM    331  HG2 PRO A  24       6.249  -3.397  -4.257  1.00  0.54           H  
ATOM    332  HG3 PRO A  24       5.023  -2.128  -4.441  1.00  0.58           H  
ATOM    333  HD2 PRO A  24       5.905  -3.175  -1.992  1.00  0.43           H  
ATOM    334  HD3 PRO A  24       4.408  -2.251  -2.241  1.00  0.39           H  
ATOM    335  N   ILE A  25       4.278  -7.492  -3.279  1.00  0.40           N  
ATOM    336  CA  ILE A  25       5.080  -8.734  -3.264  1.00  0.48           C  
ATOM    337  C   ILE A  25       4.511  -9.674  -4.285  1.00  0.82           C  
ATOM    338  O   ILE A  25       5.219 -10.395  -4.959  1.00  0.88           O  
ATOM    339  CB  ILE A  25       5.045  -9.384  -1.874  1.00  0.88           C  
ATOM    340  CG1 ILE A  25       3.831 -10.318  -1.772  1.00  1.28           C  
ATOM    341  CG2 ILE A  25       4.946  -8.299  -0.799  1.00  1.03           C  
ATOM    342  CD1 ILE A  25       3.652 -10.782  -0.327  1.00  1.77           C  
ATOM    343  H   ILE A  25       3.316  -7.536  -3.153  1.00  0.48           H  
ATOM    344  HA  ILE A  25       6.071  -8.510  -3.541  1.00  0.44           H  
ATOM    345  HB  ILE A  25       5.950  -9.954  -1.725  1.00  1.00           H  
ATOM    346 HG12 ILE A  25       2.946  -9.789  -2.099  1.00  1.38           H  
ATOM    347 HG13 ILE A  25       3.989 -11.177  -2.411  1.00  1.26           H  
ATOM    348 HG21 ILE A  25       5.737  -7.578  -0.942  1.00  1.63           H  
ATOM    349 HG22 ILE A  25       5.043  -8.750   0.177  1.00  1.29           H  
ATOM    350 HG23 ILE A  25       3.989  -7.804  -0.873  1.00  1.52           H  
ATOM    351 HD11 ILE A  25       3.013 -11.653  -0.306  1.00  2.19           H  
ATOM    352 HD12 ILE A  25       3.200  -9.989   0.252  1.00  2.26           H  
ATOM    353 HD13 ILE A  25       4.614 -11.033   0.092  1.00  1.91           H  
ATOM    354  N   GLY A  26       3.236  -9.657  -4.423  1.00  1.21           N  
ATOM    355  CA  GLY A  26       2.641 -10.531  -5.415  1.00  1.71           C  
ATOM    356  C   GLY A  26       3.109 -10.038  -6.746  1.00  0.93           C  
ATOM    357  O   GLY A  26       2.915  -8.897  -7.117  1.00  1.37           O  
ATOM    358  H   GLY A  26       2.689  -9.056  -3.895  1.00  1.20           H  
ATOM    359  HA2 GLY A  26       2.982 -11.538  -5.252  1.00  2.33           H  
ATOM    360  HA3 GLY A  26       1.580 -10.498  -5.378  1.00  2.48           H  
ATOM    361  N   LEU A  27       3.738 -10.884  -7.453  1.00  0.68           N  
ATOM    362  CA  LEU A  27       4.248 -10.495  -8.789  1.00  1.45           C  
ATOM    363  C   LEU A  27       3.150  -9.700  -9.506  1.00  1.74           C  
ATOM    364  O   LEU A  27       3.413  -8.905 -10.386  1.00  2.29           O  
ATOM    365  CB  LEU A  27       4.608 -11.747  -9.593  1.00  2.13           C  
ATOM    366  CG  LEU A  27       5.736 -12.501  -8.883  1.00  2.20           C  
ATOM    367  CD1 LEU A  27       5.592 -14.003  -9.139  1.00  2.49           C  
ATOM    368  CD2 LEU A  27       7.087 -12.021  -9.420  1.00  3.08           C  
ATOM    369  H   LEU A  27       3.881 -11.774  -7.094  1.00  0.88           H  
ATOM    370  HA  LEU A  27       5.122  -9.875  -8.662  1.00  1.81           H  
ATOM    371  HB2 LEU A  27       3.740 -12.387  -9.672  1.00  2.19           H  
ATOM    372  HB3 LEU A  27       4.935 -11.460 -10.581  1.00  2.85           H  
ATOM    373  HG  LEU A  27       5.682 -12.312  -7.821  1.00  2.09           H  
ATOM    374 HD11 LEU A  27       5.046 -14.455  -8.324  1.00  2.74           H  
ATOM    375 HD12 LEU A  27       6.572 -14.452  -9.209  1.00  2.82           H  
ATOM    376 HD13 LEU A  27       5.057 -14.162 -10.063  1.00  2.94           H  
ATOM    377 HD21 LEU A  27       7.231 -10.984  -9.156  1.00  3.45           H  
ATOM    378 HD22 LEU A  27       7.105 -12.124 -10.495  1.00  3.46           H  
ATOM    379 HD23 LEU A  27       7.878 -12.616  -8.988  1.00  3.49           H  
ATOM    380  N   PHE A  28       1.913  -9.911  -9.118  1.00  1.49           N  
ATOM    381  CA  PHE A  28       0.789  -9.176  -9.751  1.00  1.75           C  
ATOM    382  C   PHE A  28       0.054  -8.305  -8.719  1.00  1.27           C  
ATOM    383  O   PHE A  28      -0.748  -7.468  -9.084  1.00  1.37           O  
ATOM    384  CB  PHE A  28      -0.200 -10.186 -10.331  1.00  2.21           C  
ATOM    385  CG  PHE A  28       0.413 -10.856 -11.535  1.00  2.86           C  
ATOM    386  CD1 PHE A  28       0.788 -10.092 -12.646  1.00  3.53           C  
ATOM    387  CD2 PHE A  28       0.612 -12.241 -11.538  1.00  3.22           C  
ATOM    388  CE1 PHE A  28       1.361 -10.714 -13.761  1.00  4.11           C  
ATOM    389  CE2 PHE A  28       1.185 -12.864 -12.653  1.00  3.82           C  
ATOM    390  CZ  PHE A  28       1.559 -12.100 -13.765  1.00  4.10           C  
ATOM    391  H   PHE A  28       1.726 -10.557  -8.409  1.00  1.27           H  
ATOM    392  HA  PHE A  28       1.168  -8.552 -10.545  1.00  2.07           H  
ATOM    393  HB2 PHE A  28      -0.432 -10.930  -9.583  1.00  2.16           H  
ATOM    394  HB3 PHE A  28      -1.106  -9.675 -10.623  1.00  2.25           H  
ATOM    395  HD1 PHE A  28       0.635  -9.023 -12.643  1.00  3.84           H  
ATOM    396  HD2 PHE A  28       0.323 -12.830 -10.680  1.00  3.33           H  
ATOM    397  HE1 PHE A  28       1.650 -10.125 -14.619  1.00  4.76           H  
ATOM    398  HE2 PHE A  28       1.338 -13.932 -12.656  1.00  4.30           H  
ATOM    399  HZ  PHE A  28       2.001 -12.580 -14.625  1.00  4.59           H  
ATOM    400  N   VAL A  29       0.279  -8.490  -7.435  1.00  0.85           N  
ATOM    401  CA  VAL A  29      -0.472  -7.653  -6.454  1.00  0.50           C  
ATOM    402  C   VAL A  29       0.399  -7.233  -5.272  1.00  0.40           C  
ATOM    403  O   VAL A  29       1.449  -7.790  -5.001  1.00  0.53           O  
ATOM    404  CB  VAL A  29      -1.660  -8.453  -5.915  1.00  0.60           C  
ATOM    405  CG1 VAL A  29      -1.157  -9.719  -5.220  1.00  1.49           C  
ATOM    406  CG2 VAL A  29      -2.441  -7.599  -4.914  1.00  1.41           C  
ATOM    407  H   VAL A  29       0.908  -9.176  -7.123  1.00  0.87           H  
ATOM    408  HA  VAL A  29      -0.843  -6.770  -6.952  1.00  0.62           H  
ATOM    409  HB  VAL A  29      -2.302  -8.728  -6.726  1.00  0.96           H  
ATOM    410 HG11 VAL A  29      -1.893 -10.051  -4.502  1.00  1.97           H  
ATOM    411 HG12 VAL A  29      -0.227  -9.509  -4.712  1.00  2.05           H  
ATOM    412 HG13 VAL A  29      -0.999 -10.494  -5.956  1.00  2.04           H  
ATOM    413 HG21 VAL A  29      -3.410  -8.044  -4.741  1.00  2.04           H  
ATOM    414 HG22 VAL A  29      -2.567  -6.603  -5.314  1.00  2.03           H  
ATOM    415 HG23 VAL A  29      -1.896  -7.547  -3.983  1.00  1.67           H  
ATOM    416  N   GLY A  30      -0.073  -6.262  -4.545  1.00  0.33           N  
ATOM    417  CA  GLY A  30       0.646  -5.786  -3.346  1.00  0.30           C  
ATOM    418  C   GLY A  30      -0.385  -5.671  -2.232  1.00  0.28           C  
ATOM    419  O   GLY A  30      -1.544  -5.984  -2.425  1.00  0.41           O  
ATOM    420  H   GLY A  30      -0.934  -5.855  -4.779  1.00  0.44           H  
ATOM    421  HA2 GLY A  30       1.414  -6.495  -3.070  1.00  0.29           H  
ATOM    422  HA3 GLY A  30       1.085  -4.820  -3.535  1.00  0.34           H  
ATOM    423  N   PHE A  31       0.006  -5.251  -1.073  1.00  0.24           N  
ATOM    424  CA  PHE A  31      -0.970  -5.147   0.023  1.00  0.24           C  
ATOM    425  C   PHE A  31      -0.667  -3.944   0.889  1.00  0.26           C  
ATOM    426  O   PHE A  31       0.462  -3.588   1.115  1.00  0.33           O  
ATOM    427  CB  PHE A  31      -0.912  -6.418   0.823  1.00  0.29           C  
ATOM    428  CG  PHE A  31      -1.059  -7.553  -0.147  1.00  0.32           C  
ATOM    429  CD1 PHE A  31      -2.331  -7.967  -0.503  1.00  0.38           C  
ATOM    430  CD2 PHE A  31       0.063  -8.177  -0.690  1.00  0.41           C  
ATOM    431  CE1 PHE A  31      -2.502  -9.024  -1.405  1.00  0.49           C  
ATOM    432  CE2 PHE A  31      -0.094  -9.234  -1.595  1.00  0.51           C  
ATOM    433  CZ  PHE A  31      -1.380  -9.660  -1.952  1.00  0.53           C  
ATOM    434  H   PHE A  31       0.931  -5.024  -0.919  1.00  0.30           H  
ATOM    435  HA  PHE A  31      -1.955  -5.040  -0.388  1.00  0.27           H  
ATOM    436  HB2 PHE A  31       0.032  -6.488   1.344  1.00  0.37           H  
ATOM    437  HB3 PHE A  31      -1.728  -6.434   1.523  1.00  0.33           H  
ATOM    438  HD1 PHE A  31      -3.180  -7.459  -0.083  1.00  0.42           H  
ATOM    439  HD2 PHE A  31       1.048  -7.834  -0.423  1.00  0.46           H  
ATOM    440  HE1 PHE A  31      -3.495  -9.346  -1.681  1.00  0.58           H  
ATOM    441  HE2 PHE A  31       0.774  -9.722  -2.014  1.00  0.61           H  
ATOM    442  HZ  PHE A  31      -1.506 -10.475  -2.648  1.00  0.64           H  
ATOM    443  N   CYS A  32      -1.684  -3.302   1.352  1.00  0.29           N  
ATOM    444  CA  CYS A  32      -1.496  -2.089   2.170  1.00  0.33           C  
ATOM    445  C   CYS A  32      -1.295  -2.454   3.635  1.00  0.30           C  
ATOM    446  O   CYS A  32      -1.808  -3.440   4.124  1.00  0.33           O  
ATOM    447  CB  CYS A  32      -2.775  -1.269   2.059  1.00  0.46           C  
ATOM    448  SG  CYS A  32      -2.814  -0.377   0.492  1.00  0.75           S  
ATOM    449  H   CYS A  32      -2.587  -3.601   1.132  1.00  0.34           H  
ATOM    450  HA  CYS A  32      -0.651  -1.518   1.802  1.00  0.38           H  
ATOM    451  HB2 CYS A  32      -3.616  -1.945   2.101  1.00  0.54           H  
ATOM    452  HB3 CYS A  32      -2.830  -0.569   2.880  1.00  0.43           H  
ATOM    453  N   ILE A  33      -0.558  -1.646   4.341  1.00  0.32           N  
ATOM    454  CA  ILE A  33      -0.328  -1.915   5.781  1.00  0.35           C  
ATOM    455  C   ILE A  33      -0.129  -0.590   6.507  1.00  0.37           C  
ATOM    456  O   ILE A  33       0.374   0.364   5.953  1.00  0.40           O  
ATOM    457  CB  ILE A  33       0.923  -2.761   5.959  1.00  0.39           C  
ATOM    458  CG1 ILE A  33       2.066  -2.115   5.166  1.00  0.37           C  
ATOM    459  CG2 ILE A  33       0.658  -4.190   5.470  1.00  0.49           C  
ATOM    460  CD1 ILE A  33       2.140  -2.689   3.746  1.00  0.43           C  
ATOM    461  H   ILE A  33      -0.162  -0.850   3.922  1.00  0.34           H  
ATOM    462  HA  ILE A  33      -1.180  -2.434   6.195  1.00  0.38           H  
ATOM    463  HB  ILE A  33       1.186  -2.788   7.007  1.00  0.42           H  
ATOM    464 HG12 ILE A  33       1.892  -1.051   5.101  1.00  0.33           H  
ATOM    465 HG13 ILE A  33       2.991  -2.290   5.680  1.00  0.40           H  
ATOM    466 HG21 ILE A  33       1.574  -4.760   5.513  1.00  1.06           H  
ATOM    467 HG22 ILE A  33       0.298  -4.161   4.452  1.00  1.09           H  
ATOM    468 HG23 ILE A  33      -0.086  -4.654   6.101  1.00  1.21           H  
ATOM    469 HD11 ILE A  33       2.755  -2.050   3.131  1.00  1.11           H  
ATOM    470 HD12 ILE A  33       1.146  -2.744   3.327  1.00  0.95           H  
ATOM    471 HD13 ILE A  33       2.571  -3.679   3.781  1.00  0.85           H  
ATOM    472  N   HIS A  34      -0.501  -0.539   7.748  1.00  0.38           N  
ATOM    473  CA  HIS A  34      -0.324   0.715   8.540  1.00  0.41           C  
ATOM    474  C   HIS A  34       0.438   0.392   9.829  1.00  0.38           C  
ATOM    475  O   HIS A  34      -0.155   0.104  10.850  1.00  0.46           O  
ATOM    476  CB  HIS A  34      -1.684   1.333   8.891  1.00  0.54           C  
ATOM    477  CG  HIS A  34      -2.447   0.416   9.801  1.00  0.60           C  
ATOM    478  ND1 HIS A  34      -3.045   0.861  10.969  1.00  0.91           N  
ATOM    479  CD2 HIS A  34      -2.719  -0.923   9.725  1.00  0.59           C  
ATOM    480  CE1 HIS A  34      -3.640  -0.198  11.546  1.00  0.98           C  
ATOM    481  NE2 HIS A  34      -3.473  -1.312  10.829  1.00  0.77           N  
ATOM    482  H   HIS A  34      -0.880  -1.332   8.160  1.00  0.40           H  
ATOM    483  HA  HIS A  34       0.246   1.423   7.957  1.00  0.45           H  
ATOM    484  HB2 HIS A  34      -1.529   2.279   9.388  1.00  0.60           H  
ATOM    485  HB3 HIS A  34      -2.250   1.494   7.991  1.00  0.60           H  
ATOM    486  HD1 HIS A  34      -3.035   1.779  11.311  1.00  1.10           H  
ATOM    487  HD2 HIS A  34      -2.394  -1.573   8.930  1.00  0.65           H  
ATOM    488  HE1 HIS A  34      -4.187  -0.152  12.477  1.00  1.24           H  
ATOM    489  N   PRO A  35       1.738   0.457   9.741  1.00  0.43           N  
ATOM    490  CA  PRO A  35       2.604   0.188  10.868  1.00  0.50           C  
ATOM    491  C   PRO A  35       2.462   1.302  11.901  1.00  0.59           C  
ATOM    492  O   PRO A  35       1.757   2.268  11.682  1.00  0.61           O  
ATOM    493  CB  PRO A  35       3.991   0.108  10.225  1.00  0.67           C  
ATOM    494  CG  PRO A  35       3.883   0.939   8.945  1.00  0.72           C  
ATOM    495  CD  PRO A  35       2.423   0.800   8.515  1.00  0.61           C  
ATOM    496  HA  PRO A  35       2.355  -0.762  11.313  1.00  0.48           H  
ATOM    497  HB2 PRO A  35       4.735   0.527  10.889  1.00  0.77           H  
ATOM    498  HB3 PRO A  35       4.234  -0.914   9.980  1.00  0.70           H  
ATOM    499  HG2 PRO A  35       4.125   1.974   9.149  1.00  0.78           H  
ATOM    500  HG3 PRO A  35       4.531   0.541   8.184  1.00  0.83           H  
ATOM    501  HD2 PRO A  35       2.051   1.734   8.123  1.00  0.67           H  
ATOM    502  HD3 PRO A  35       2.306   0.010   7.790  1.00  0.68           H  
ATOM    503  N   THR A  36       3.118   1.175  13.015  1.00  0.73           N  
ATOM    504  CA  THR A  36       3.017   2.230  14.061  1.00  0.92           C  
ATOM    505  C   THR A  36       3.973   3.375  13.724  1.00  1.16           C  
ATOM    506  O   THR A  36       4.993   3.179  13.094  1.00  1.38           O  
ATOM    507  CB  THR A  36       3.386   1.640  15.424  1.00  1.07           C  
ATOM    508  OG1 THR A  36       3.511   0.231  15.310  1.00  1.75           O  
ATOM    509  CG2 THR A  36       2.295   1.977  16.442  1.00  2.17           C  
ATOM    510  H   THR A  36       3.678   0.385  13.162  1.00  0.74           H  
ATOM    511  HA  THR A  36       2.005   2.606  14.094  1.00  1.11           H  
ATOM    512  HB  THR A  36       4.323   2.060  15.756  1.00  1.23           H  
ATOM    513  HG1 THR A  36       2.629  -0.147  15.321  1.00  2.24           H  
ATOM    514 HG21 THR A  36       2.306   3.038  16.642  1.00  2.70           H  
ATOM    515 HG22 THR A  36       2.477   1.435  17.358  1.00  2.64           H  
ATOM    516 HG23 THR A  36       1.331   1.696  16.042  1.00  2.68           H  
ATOM    517  N   GLY A  37       3.651   4.569  14.138  1.00  1.64           N  
ATOM    518  CA  GLY A  37       4.541   5.725  13.842  1.00  2.05           C  
ATOM    519  C   GLY A  37       4.718   6.570  15.104  1.00  2.43           C  
ATOM    520  O   GLY A  37       3.928   6.406  16.019  1.00  2.68           O  
ATOM    521  OXT GLY A  37       5.642   7.367  15.135  1.00  3.01           O  
ATOM    522  H   GLY A  37       2.823   4.705  14.645  1.00  1.93           H  
ATOM    523  HA2 GLY A  37       5.504   5.362  13.512  1.00  1.97           H  
ATOM    524  HA3 GLY A  37       4.098   6.331  13.066  1.00  2.59           H  
TER     525      GLY A  37                                                      
CONECT   30  266                                                                
CONECT   71  300                                                                
CONECT  185  448                                                                
CONECT  266   30                                                                
CONECT  300   71                                                                
CONECT  448  185                                                                
MASTER      107    0    0    0    3    0    0    6  271    1    6    3          
END