HEADER    PROTEIN BINDING                         08-JUN-18   6DNY              
TITLE     SOLUTION STRUCTURE OF THE CYCLIC TETRAPEPTIDE, PYPV                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYCLIC TETRAPEPTIDE PYPV;                                  
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: LACTOBACILLUS HELVETICUS;                       
SOURCE   4 ORGANISM_TAXID: 1587                                                 
KEYWDS    INHIBITOR, TYROSINASE, PROTEIN BINDING                                
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    A.SHEKHTMAN,L.BREINDEL,Q.ZHANG,H.CHEN                                 
REVDAT   3   14-JUN-23 6DNY    1       REMARK                                   
REVDAT   2   18-DEC-19 6DNY    1       REMARK                                   
REVDAT   1   12-JUN-19 6DNY    0                                                
JRNL        AUTH   A.SHEKHTMAN,L.BREINDEL,Q.ZHANG,H.CHEN                        
JRNL        TITL   SOLUTION STRUCTURE OF THE CYCLIC TETRAPEPTIDE, PYPV.         
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 3.96                                           
REMARK   3   AUTHORS     : GUNTERT P.                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6DNY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUN-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000234950.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 0                                  
REMARK 210  PRESSURE                       : 1 BAR                              
REMARK 210  SAMPLE CONTENTS                : 1 MM NA CYCLO(-L-PRO-L-TYR-L-PRO   
REMARK 210                                   -L-VAL-), DEUTERATED DMSO          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;    
REMARK 210                                   2D 1H-1H ROESY; 2D 1H-13C HSQC     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE III                         
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA 3.96, CARA                   
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500  1 TYR A   2       82.30   -151.76                                   
REMARK 500  2 TYR A   2       82.27   -151.83                                   
REMARK 500  3 TYR A   2       82.22   -151.80                                   
REMARK 500  4 TYR A   2       82.22   -151.81                                   
REMARK 500  5 TYR A   2       82.22   -151.83                                   
REMARK 500  6 TYR A   2       82.25   -151.75                                   
REMARK 500  7 TYR A   2       82.25   -151.76                                   
REMARK 500  8 TYR A   2       82.23   -151.77                                   
REMARK 500  9 TYR A   2       82.28   -151.76                                   
REMARK 500 10 TYR A   2       82.24   -151.76                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 30476   RELATED DB: BMRB                                 
REMARK 900 SOLUTION STRUCTURE OF THE CYCLIC TETRAPEPTIDE, PYPV                  
DBREF  6DNY A    1     4  PDB    6DNY     6DNY             1      4             
SEQRES   1 A    4  PRO TYR PRO VAL                                              
LINK         N   PRO A   1                 C   VAL A   4     1555   1555  1.51  
CISPEP   1 TYR A    2    PRO A    3          1        -0.11                     
CISPEP   2 TYR A    2    PRO A    3          2        -0.12                     
CISPEP   3 TYR A    2    PRO A    3          3        -0.07                     
CISPEP   4 TYR A    2    PRO A    3          4         0.00                     
CISPEP   5 TYR A    2    PRO A    3          5         0.01                     
CISPEP   6 TYR A    2    PRO A    3          6        -0.05                     
CISPEP   7 TYR A    2    PRO A    3          7        -0.07                     
CISPEP   8 TYR A    2    PRO A    3          8         0.01                     
CISPEP   9 TYR A    2    PRO A    3          9        -0.09                     
CISPEP  10 TYR A    2    PRO A    3         10        -0.04                     
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                         
MODEL        1                                                                  
ATOM      1  N   PRO A   1       1.341   0.000   0.000  1.00  3.00           N  
ATOM      2  CA  PRO A   1       2.133  -0.001  -1.234  1.00 11.02           C  
ATOM      3  C   PRO A   1       2.035  -1.325  -1.984  1.00 43.11           C  
ATOM      4  O   PRO A   1       2.687  -1.517  -3.011  1.00 55.12           O  
ATOM      5  CB  PRO A   1       3.563   0.229  -0.738  1.00 32.50           C  
ATOM      6  CG  PRO A   1       3.564  -0.277   0.663  1.00 34.23           C  
ATOM      7  CD  PRO A   1       2.188   0.000   1.204  1.00  4.45           C  
ATOM      8  HA  PRO A   1       1.844   0.806  -1.891  1.00 41.11           H  
ATOM      9  HB2 PRO A   1       4.255  -0.324  -1.359  1.00 14.44           H  
ATOM     10  HB3 PRO A   1       3.797   1.282  -0.777  1.00 73.35           H  
ATOM     11  HG2 PRO A   1       3.762  -1.338   0.671  1.00 45.02           H  
ATOM     12  HG3 PRO A   1       4.307   0.250   1.243  1.00 63.42           H  
ATOM     13  HD2 PRO A   1       1.887  -0.780   1.888  1.00 43.40           H  
ATOM     14  HD3 PRO A   1       2.162   0.963   1.693  1.00 44.41           H  
ATOM     15  N   TYR A   2       1.218  -2.235  -1.465  1.00 42.43           N  
ATOM     16  CA  TYR A   2       1.037  -3.542  -2.086  1.00  1.34           C  
ATOM     17  C   TYR A   2      -0.349  -4.101  -1.782  1.00 32.53           C  
ATOM     18  O   TYR A   2      -0.534  -4.912  -0.874  1.00 34.13           O  
ATOM     19  CB  TYR A   2       2.111  -4.515  -1.596  1.00 52.12           C  
ATOM     20  CG  TYR A   2       2.203  -5.779  -2.420  1.00 33.51           C  
ATOM     21  CD1 TYR A   2       2.342  -5.723  -3.801  1.00 62.33           C  
ATOM     22  CD2 TYR A   2       2.149  -7.030  -1.817  1.00 71.25           C  
ATOM     23  CE1 TYR A   2       2.426  -6.876  -4.558  1.00 52.13           C  
ATOM     24  CE2 TYR A   2       2.233  -8.188  -2.566  1.00 42.03           C  
ATOM     25  CZ  TYR A   2       2.371  -8.106  -3.936  1.00 44.32           C  
ATOM     26  OH  TYR A   2       2.454  -9.257  -4.686  1.00  3.33           O  
ATOM     27  H   TYR A   2       0.726  -2.023  -0.645  1.00 21.13           H  
ATOM     28  HA  TYR A   2       1.137  -3.418  -3.154  1.00 71.51           H  
ATOM     29  HB2 TYR A   2       3.072  -4.027  -1.631  1.00 45.31           H  
ATOM     30  HB3 TYR A   2       1.893  -4.798  -0.577  1.00 12.23           H  
ATOM     31  HD1 TYR A   2       2.385  -4.758  -4.286  1.00 34.52           H  
ATOM     32  HD2 TYR A   2       2.040  -7.091  -0.744  1.00 62.02           H  
ATOM     33  HE1 TYR A   2       2.534  -6.812  -5.631  1.00 63.11           H  
ATOM     34  HE2 TYR A   2       2.190  -9.151  -2.079  1.00 61.14           H  
ATOM     35  HH  TYR A   2       3.249  -9.231  -5.224  1.00 71.31           H  
ATOM     36  N   PRO A   3      -1.348  -3.660  -2.560  1.00 52.32           N  
ATOM     37  CA  PRO A   3      -1.140  -2.694  -3.644  1.00 22.53           C  
ATOM     38  C   PRO A   3      -0.799  -1.303  -3.122  1.00 53.55           C  
ATOM     39  O   PRO A   3      -0.100  -0.535  -3.784  1.00 24.14           O  
ATOM     40  CB  PRO A   3      -2.488  -2.679  -4.369  1.00  3.10           C  
ATOM     41  CG  PRO A   3      -3.478  -3.097  -3.337  1.00 62.44           C  
ATOM     42  CD  PRO A   3      -2.758  -4.068  -2.442  1.00 51.13           C  
ATOM     43  HA  PRO A   3      -0.367  -3.022  -4.324  1.00 20.04           H  
ATOM     44  HB2 PRO A   3      -2.692  -1.682  -4.733  1.00 12.35           H  
ATOM     45  HB3 PRO A   3      -2.463  -3.372  -5.196  1.00 54.15           H  
ATOM     46  HG2 PRO A   3      -3.805  -2.238  -2.772  1.00 50.15           H  
ATOM     47  HG3 PRO A   3      -4.320  -3.579  -3.812  1.00 21.33           H  
ATOM     48  HD2 PRO A   3      -3.104  -3.970  -1.424  1.00 71.00           H  
ATOM     49  HD3 PRO A   3      -2.896  -5.080  -2.794  1.00 54.32           H  
ATOM     50  N   VAL A   4      -1.298  -0.983  -1.933  1.00 11.34           N  
ATOM     51  CA  VAL A   4      -1.045   0.317  -1.322  1.00 32.12           C  
ATOM     52  C   VAL A   4      -0.160   0.181  -0.088  1.00 12.21           C  
ATOM     53  O   VAL A   4      -0.654   0.093   1.036  1.00  2.12           O  
ATOM     54  CB  VAL A   4      -2.359   1.015  -0.923  1.00 51.04           C  
ATOM     55  CG1 VAL A   4      -2.081   2.412  -0.390  1.00 11.11           C  
ATOM     56  CG2 VAL A   4      -3.314   1.067  -2.106  1.00 50.44           C  
ATOM     57  H   VAL A   4      -1.849  -1.637  -1.454  1.00  2.32           H  
ATOM     58  HA  VAL A   4      -0.540   0.935  -2.049  1.00 43.24           H  
ATOM     59  HB  VAL A   4      -2.825   0.440  -0.137  1.00 22.41           H  
ATOM     60 HG11 VAL A   4      -1.627   3.010  -1.167  1.00 20.24           H  
ATOM     61 HG12 VAL A   4      -3.008   2.870  -0.077  1.00 73.43           H  
ATOM     62 HG13 VAL A   4      -1.409   2.348   0.453  1.00 22.01           H  
ATOM     63 HG21 VAL A   4      -2.749   1.183  -3.019  1.00 40.42           H  
ATOM     64 HG22 VAL A   4      -3.884   0.151  -2.150  1.00 72.33           H  
ATOM     65 HG23 VAL A   4      -3.987   1.904  -1.990  1.00 23.11           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        2                                                                  
ATOM      1  N   PRO A   1       1.346   0.015  -0.048  1.00 61.34           N  
ATOM      2  CA  PRO A   1       2.107   0.003  -1.301  1.00 63.12           C  
ATOM      3  C   PRO A   1       2.000  -1.331  -2.032  1.00 54.14           C  
ATOM      4  O   PRO A   1       2.627  -1.532  -3.073  1.00 12.13           O  
ATOM      5  CB  PRO A   1       3.547   0.247  -0.844  1.00  4.15           C  
ATOM      6  CG  PRO A   1       3.586  -0.241   0.563  1.00 13.05           C  
ATOM      7  CD  PRO A   1       2.222   0.035   1.135  1.00 44.22           C  
ATOM      8  HA  PRO A   1       1.797   0.800  -1.961  1.00 64.02           H  
ATOM      9  HB2 PRO A   1       4.227  -0.309  -1.474  1.00 43.40           H  
ATOM     10  HB3 PRO A   1       3.774   1.301  -0.902  1.00 13.12           H  
ATOM     11  HG2 PRO A   1       3.791  -1.300   0.579  1.00 23.42           H  
ATOM     12  HG3 PRO A   1       4.340   0.297   1.118  1.00 40.50           H  
ATOM     13  HD2 PRO A   1       1.943  -0.738   1.835  1.00  1.11           H  
ATOM     14  HD3 PRO A   1       2.202   1.004   1.612  1.00 44.13           H  
ATOM     15  N   TYR A   2       1.201  -2.239  -1.483  1.00 10.35           N  
ATOM     16  CA  TYR A   2       1.013  -3.555  -2.082  1.00 11.51           C  
ATOM     17  C   TYR A   2      -0.362  -4.119  -1.737  1.00 51.33           C  
ATOM     18  O   TYR A   2      -0.520  -4.919  -0.815  1.00 50.11           O  
ATOM     19  CB  TYR A   2       2.104  -4.515  -1.607  1.00 23.21           C  
ATOM     20  CG  TYR A   2       2.271  -5.729  -2.493  1.00 55.24           C  
ATOM     21  CD1 TYR A   2       2.912  -5.633  -3.722  1.00 52.14           C  
ATOM     22  CD2 TYR A   2       1.786  -6.971  -2.103  1.00 13.22           C  
ATOM     23  CE1 TYR A   2       3.065  -6.739  -4.536  1.00 44.21           C  
ATOM     24  CE2 TYR A   2       1.936  -8.082  -2.909  1.00 61.22           C  
ATOM     25  CZ  TYR A   2       2.576  -7.961  -4.125  1.00 24.11           C  
ATOM     26  OH  TYR A   2       2.727  -9.066  -4.932  1.00 10.42           O  
ATOM     27  H   TYR A   2       0.728  -2.020  -0.653  1.00 13.11           H  
ATOM     28  HA  TYR A   2       1.086  -3.444  -3.154  1.00 31.20           H  
ATOM     29  HB2 TYR A   2       3.048  -3.993  -1.581  1.00  0.30           H  
ATOM     30  HB3 TYR A   2       1.862  -4.861  -0.613  1.00  1.04           H  
ATOM     31  HD1 TYR A   2       3.294  -4.674  -4.042  1.00 31.12           H  
ATOM     32  HD2 TYR A   2       1.284  -7.062  -1.150  1.00 42.00           H  
ATOM     33  HE1 TYR A   2       3.567  -6.645  -5.488  1.00 50.41           H  
ATOM     34  HE2 TYR A   2       1.553  -9.039  -2.588  1.00 32.33           H  
ATOM     35  HH  TYR A   2       2.802  -9.852  -4.386  1.00 73.34           H  
ATOM     36  N   PRO A   3      -1.382  -3.693  -2.497  1.00 14.55           N  
ATOM     37  CA  PRO A   3      -1.207  -2.740  -3.597  1.00  4.24           C  
ATOM     38  C   PRO A   3      -0.862  -1.339  -3.101  1.00 71.42           C  
ATOM     39  O   PRO A   3      -0.183  -0.576  -3.789  1.00 35.24           O  
ATOM     40  CB  PRO A   3      -2.572  -2.741  -4.289  1.00 21.32           C  
ATOM     41  CG  PRO A   3      -3.534  -3.153  -3.228  1.00 42.42           C  
ATOM     42  CD  PRO A   3      -2.786  -4.108  -2.339  1.00 55.41           C  
ATOM     43  HA  PRO A   3      -0.449  -3.071  -4.291  1.00 64.32           H  
ATOM     44  HB2 PRO A   3      -2.791  -1.750  -4.660  1.00 13.14           H  
ATOM     45  HB3 PRO A   3      -2.563  -3.444  -5.108  1.00 74.30           H  
ATOM     46  HG2 PRO A   3      -3.852  -2.288  -2.666  1.00 75.11           H  
ATOM     47  HG3 PRO A   3      -4.384  -3.645  -3.676  1.00 33.43           H  
ATOM     48  HD2 PRO A   3      -3.108  -3.999  -1.314  1.00 11.01           H  
ATOM     49  HD3 PRO A   3      -2.927  -5.124  -2.675  1.00 31.51           H  
ATOM     50  N   VAL A   4      -1.334  -1.008  -1.903  1.00 43.45           N  
ATOM     51  CA  VAL A   4      -1.074   0.301  -1.315  1.00 70.12           C  
ATOM     52  C   VAL A   4      -0.158   0.186  -0.102  1.00 32.02           C  
ATOM     53  O   VAL A   4      -0.624   0.111   1.035  1.00 25.02           O  
ATOM     54  CB  VAL A   4      -2.382   0.996  -0.893  1.00 50.23           C  
ATOM     55  CG1 VAL A   4      -2.089   2.350  -0.265  1.00 43.23           C  
ATOM     56  CG2 VAL A   4      -3.315   1.143  -2.086  1.00 13.24           C  
ATOM     57  H   VAL A   4      -1.869  -1.659  -1.403  1.00 45.23           H  
ATOM     58  HA  VAL A   4      -0.590   0.913  -2.063  1.00 14.04           H  
ATOM     59  HB  VAL A   4      -2.871   0.380  -0.154  1.00 34.33           H  
ATOM     60 HG11 VAL A   4      -1.474   2.214   0.612  1.00 24.11           H  
ATOM     61 HG12 VAL A   4      -1.568   2.973  -0.978  1.00 74.02           H  
ATOM     62 HG13 VAL A   4      -3.017   2.824   0.017  1.00 12.32           H  
ATOM     63 HG21 VAL A   4      -3.387   0.199  -2.604  1.00 34.32           H  
ATOM     64 HG22 VAL A   4      -4.296   1.441  -1.742  1.00 25.44           H  
ATOM     65 HG23 VAL A   4      -2.927   1.894  -2.757  1.00  2.30           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        3                                                                  
ATOM      1  N   PRO A   1       1.377   0.030  -0.120  1.00 32.43           N  
ATOM      2  CA  PRO A   1       2.115  -0.055  -1.383  1.00 45.40           C  
ATOM      3  C   PRO A   1       1.971  -1.418  -2.050  1.00 35.44           C  
ATOM      4  O   PRO A   1       2.576  -1.679  -3.090  1.00 34.23           O  
ATOM      5  CB  PRO A   1       3.568   0.183  -0.961  1.00 73.23           C  
ATOM      6  CG  PRO A   1       3.622  -0.240   0.466  1.00 34.41           C  
ATOM      7  CD  PRO A   1       2.274   0.088   1.047  1.00 71.14           C  
ATOM      8  HA  PRO A   1       1.809   0.717  -2.074  1.00 72.01           H  
ATOM      9  HB2 PRO A   1       4.226  -0.414  -1.577  1.00 20.35           H  
ATOM     10  HB3 PRO A   1       3.812   1.228  -1.072  1.00 42.52           H  
ATOM     11  HG2 PRO A   1       3.808  -1.302   0.528  1.00 40.34           H  
ATOM     12  HG3 PRO A   1       4.395   0.308   0.982  1.00  3.53           H  
ATOM     13  HD2 PRO A   1       1.993  -0.647   1.787  1.00 53.44           H  
ATOM     14  HD3 PRO A   1       2.280   1.078   1.478  1.00 20.02           H  
ATOM     15  N   TYR A   2       1.165  -2.284  -1.445  1.00 21.41           N  
ATOM     16  CA  TYR A   2       0.942  -3.623  -1.979  1.00 44.43           C  
ATOM     17  C   TYR A   2      -0.436  -4.144  -1.586  1.00 55.20           C  
ATOM     18  O   TYR A   2      -0.593  -4.897  -0.625  1.00 61.41           O  
ATOM     19  CB  TYR A   2       2.024  -4.581  -1.478  1.00 61.14           C  
ATOM     20  CG  TYR A   2       2.299  -5.731  -2.422  1.00 13.54           C  
ATOM     21  CD1 TYR A   2       3.578  -5.964  -2.910  1.00 23.23           C  
ATOM     22  CD2 TYR A   2       1.278  -6.584  -2.824  1.00  2.51           C  
ATOM     23  CE1 TYR A   2       3.833  -7.013  -3.772  1.00 44.43           C  
ATOM     24  CE2 TYR A   2       1.524  -7.635  -3.685  1.00 64.40           C  
ATOM     25  CZ  TYR A   2       2.803  -7.846  -4.157  1.00  3.52           C  
ATOM     26  OH  TYR A   2       3.054  -8.892  -5.015  1.00 14.12           O  
ATOM     27  H   TYR A   2       0.711  -2.018  -0.619  1.00 34.54           H  
ATOM     28  HA  TYR A   2       0.999  -3.563  -3.056  1.00 73.34           H  
ATOM     29  HB2 TYR A   2       2.945  -4.035  -1.345  1.00 23.42           H  
ATOM     30  HB3 TYR A   2       1.716  -4.996  -0.530  1.00 23.32           H  
ATOM     31  HD1 TYR A   2       4.383  -5.310  -2.606  1.00 71.11           H  
ATOM     32  HD2 TYR A   2       0.277  -6.416  -2.453  1.00 24.43           H  
ATOM     33  HE1 TYR A   2       4.835  -7.178  -4.141  1.00 52.44           H  
ATOM     34  HE2 TYR A   2       0.718  -8.288  -3.987  1.00  1.23           H  
ATOM     35  HH  TYR A   2       2.230  -9.341  -5.220  1.00 23.44           H  
ATOM     36  N   PRO A   3      -1.462  -3.734  -2.347  1.00 41.41           N  
ATOM     37  CA  PRO A   3      -1.288  -2.836  -3.493  1.00 61.21           C  
ATOM     38  C   PRO A   3      -0.909  -1.421  -3.069  1.00 30.30           C  
ATOM     39  O   PRO A   3      -0.229  -0.704  -3.802  1.00 45.23           O  
ATOM     40  CB  PRO A   3      -2.665  -2.843  -4.162  1.00 21.44           C  
ATOM     41  CG  PRO A   3      -3.616  -3.187  -3.067  1.00 45.22           C  
ATOM     42  CD  PRO A   3      -2.870  -4.114  -2.147  1.00 54.02           C  
ATOM     43  HA  PRO A   3      -0.548  -3.214  -4.184  1.00 14.20           H  
ATOM     44  HB2 PRO A   3      -2.873  -1.866  -4.574  1.00 65.13           H  
ATOM     45  HB3 PRO A   3      -2.684  -3.584  -4.947  1.00 43.53           H  
ATOM     46  HG2 PRO A   3      -3.908  -2.291  -2.541  1.00 33.34           H  
ATOM     47  HG3 PRO A   3      -4.483  -3.683  -3.477  1.00 64.31           H  
ATOM     48  HD2 PRO A   3      -3.172  -3.952  -1.123  1.00 20.00           H  
ATOM     49  HD3 PRO A   3      -3.036  -5.142  -2.433  1.00 64.31           H  
ATOM     50  N   VAL A   4      -1.354  -1.026  -1.880  1.00 44.44           N  
ATOM     51  CA  VAL A   4      -1.060   0.303  -1.358  1.00  4.51           C  
ATOM     52  C   VAL A   4      -0.125   0.227  -0.156  1.00 42.10           C  
ATOM     53  O   VAL A   4      -0.571   0.212   0.991  1.00 75.32           O  
ATOM     54  CB  VAL A   4      -2.347   1.042  -0.947  1.00 10.41           C  
ATOM     55  CG1 VAL A   4      -2.019   2.425  -0.405  1.00 13.23           C  
ATOM     56  CG2 VAL A   4      -3.306   1.136  -2.124  1.00 71.20           C  
ATOM     57  H   VAL A   4      -1.892  -1.643  -1.342  1.00  5.43           H  
ATOM     58  HA  VAL A   4      -0.578   0.871  -2.141  1.00 11.11           H  
ATOM     59  HB  VAL A   4      -2.828   0.477  -0.162  1.00 64.01           H  
ATOM     60 HG11 VAL A   4      -1.779   2.352   0.646  1.00 70.11           H  
ATOM     61 HG12 VAL A   4      -1.174   2.832  -0.941  1.00 74.31           H  
ATOM     62 HG13 VAL A   4      -2.874   3.074  -0.533  1.00 65.32           H  
ATOM     63 HG21 VAL A   4      -3.542   2.172  -2.314  1.00 13.25           H  
ATOM     64 HG22 VAL A   4      -2.844   0.706  -3.001  1.00  4.01           H  
ATOM     65 HG23 VAL A   4      -4.212   0.596  -1.894  1.00 73.43           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        4                                                                  
ATOM      1  N   PRO A   1       1.381   0.029  -0.103  1.00  1.21           N  
ATOM      2  CA  PRO A   1       2.123  -0.050  -1.365  1.00  2.43           C  
ATOM      3  C   PRO A   1       1.982  -1.411  -2.036  1.00 75.24           C  
ATOM      4  O   PRO A   1       2.590  -1.668  -3.076  1.00 12.33           O  
ATOM      5  CB  PRO A   1       3.574   0.188  -0.938  1.00 60.13           C  
ATOM      6  CG  PRO A   1       3.625  -0.240   0.488  1.00 72.33           C  
ATOM      7  CD  PRO A   1       2.275   0.084   1.066  1.00 42.42           C  
ATOM      8  HA  PRO A   1       1.817   0.724  -2.054  1.00  5.02           H  
ATOM      9  HB2 PRO A   1       4.235  -0.406  -1.554  1.00 33.30           H  
ATOM     10  HB3 PRO A   1       3.818   1.234  -1.045  1.00 13.21           H  
ATOM     11  HG2 PRO A   1       3.812  -1.302   0.546  1.00 42.31           H  
ATOM     12  HG3 PRO A   1       4.397   0.308   1.008  1.00 75.42           H  
ATOM     13  HD2 PRO A   1       1.993  -0.653   1.803  1.00 71.05           H  
ATOM     14  HD3 PRO A   1       2.279   1.073   1.501  1.00 61.00           H  
ATOM     15  N   TYR A   2       1.175  -2.280  -1.437  1.00 63.21           N  
ATOM     16  CA  TYR A   2       0.955  -3.617  -1.977  1.00  4.32           C  
ATOM     17  C   TYR A   2      -0.424  -4.141  -1.590  1.00 11.54           C  
ATOM     18  O   TYR A   2      -0.583  -4.898  -0.632  1.00  2.53           O  
ATOM     19  CB  TYR A   2       2.037  -4.576  -1.476  1.00 15.00           C  
ATOM     20  CG  TYR A   2       2.287  -5.744  -2.403  1.00 53.33           C  
ATOM     21  CD1 TYR A   2       3.534  -5.942  -2.982  1.00 22.32           C  
ATOM     22  CD2 TYR A   2       1.275  -6.649  -2.700  1.00 64.31           C  
ATOM     23  CE1 TYR A   2       3.767  -7.007  -3.830  1.00 72.31           C  
ATOM     24  CE2 TYR A   2       1.499  -7.718  -3.546  1.00 64.22           C  
ATOM     25  CZ  TYR A   2       2.746  -7.893  -4.109  1.00 45.41           C  
ATOM     26  OH  TYR A   2       2.975  -8.956  -4.953  1.00 14.35           O  
ATOM     27  H   TYR A   2       0.718  -2.018  -0.611  1.00 41.41           H  
ATOM     28  HA  TYR A   2       1.015  -3.554  -3.054  1.00 11.45           H  
ATOM     29  HB2 TYR A   2       2.964  -4.036  -1.366  1.00 23.21           H  
ATOM     30  HB3 TYR A   2       1.740  -4.972  -0.516  1.00 32.12           H  
ATOM     31  HD1 TYR A   2       4.331  -5.247  -2.761  1.00 23.13           H  
ATOM     32  HD2 TYR A   2       0.300  -6.510  -2.258  1.00 35.03           H  
ATOM     33  HE1 TYR A   2       4.743  -7.144  -4.271  1.00 23.44           H  
ATOM     34  HE2 TYR A   2       0.701  -8.412  -3.765  1.00 53.52           H  
ATOM     35  HH  TYR A   2       2.349  -8.926  -5.681  1.00 23.25           H  
ATOM     36  N   PRO A   3      -1.448  -3.729  -2.352  1.00 43.24           N  
ATOM     37  CA  PRO A   3      -1.271  -2.827  -3.495  1.00 21.32           C  
ATOM     38  C   PRO A   3      -0.895  -1.414  -3.065  1.00  3.52           C  
ATOM     39  O   PRO A   3      -0.213  -0.693  -3.794  1.00  1.22           O  
ATOM     40  CB  PRO A   3      -2.646  -2.834  -4.168  1.00  2.44           C  
ATOM     41  CG  PRO A   3      -3.600  -3.182  -3.077  1.00 45.43           C  
ATOM     42  CD  PRO A   3      -2.856  -4.111  -2.158  1.00 74.12           C  
ATOM     43  HA  PRO A   3      -0.529  -3.202  -4.185  1.00  1.13           H  
ATOM     44  HB2 PRO A   3      -2.853  -1.855  -4.578  1.00 32.13           H  
ATOM     45  HB3 PRO A   3      -2.662  -3.571  -4.956  1.00 25.11           H  
ATOM     46  HG2 PRO A   3      -3.895  -2.288  -2.549  1.00 22.23           H  
ATOM     47  HG3 PRO A   3      -4.465  -3.678  -3.492  1.00  1.44           H  
ATOM     48  HD2 PRO A   3      -3.161  -3.953  -1.134  1.00 53.13           H  
ATOM     49  HD3 PRO A   3      -3.020  -5.139  -2.448  1.00  3.30           H  
ATOM     50  N   VAL A   4      -1.343  -1.022  -1.876  1.00 71.31           N  
ATOM     51  CA  VAL A   4      -1.052   0.305  -1.348  1.00 40.23           C  
ATOM     52  C   VAL A   4      -0.120   0.226  -0.144  1.00 74.31           C  
ATOM     53  O   VAL A   4      -0.570   0.206   1.001  1.00 13.25           O  
ATOM     54  CB  VAL A   4      -2.341   1.041  -0.938  1.00 53.44           C  
ATOM     55  CG1 VAL A   4      -2.027   2.462  -0.496  1.00 54.50           C  
ATOM     56  CG2 VAL A   4      -3.342   1.040  -2.084  1.00 34.42           C  
ATOM     57  H   VAL A   4      -1.882  -1.642  -1.341  1.00 41.31           H  
ATOM     58  HA  VAL A   4      -0.569   0.876  -2.128  1.00 42.10           H  
ATOM     59  HB  VAL A   4      -2.781   0.517  -0.103  1.00 31.11           H  
ATOM     60 HG11 VAL A   4      -1.707   2.455   0.535  1.00  1.55           H  
ATOM     61 HG12 VAL A   4      -1.241   2.867  -1.116  1.00 50.50           H  
ATOM     62 HG13 VAL A   4      -2.913   3.073  -0.593  1.00 11.23           H  
ATOM     63 HG21 VAL A   4      -4.261   1.505  -1.759  1.00 30.34           H  
ATOM     64 HG22 VAL A   4      -2.936   1.592  -2.919  1.00 23.41           H  
ATOM     65 HG23 VAL A   4      -3.541   0.023  -2.388  1.00 21.35           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        5                                                                  
ATOM      1  N   PRO A   1       1.330  -0.012   0.012  1.00 44.23           N  
ATOM      2  CA  PRO A   1       2.127  -0.017  -1.219  1.00 10.11           C  
ATOM      3  C   PRO A   1       2.025  -1.340  -1.970  1.00 21.11           C  
ATOM      4  O   PRO A   1       2.679  -1.535  -2.994  1.00 65.44           O  
ATOM      5  CB  PRO A   1       3.556   0.205  -0.717  1.00 61.33           C  
ATOM      6  CG  PRO A   1       3.549  -0.301   0.684  1.00 75.21           C  
ATOM      7  CD  PRO A   1       2.173  -0.016   1.220  1.00 73.24           C  
ATOM      8  HA  PRO A   1       1.845   0.792  -1.877  1.00 62.12           H  
ATOM      9  HB2 PRO A   1       4.247  -0.351  -1.335  1.00 63.03           H  
ATOM     10  HB3 PRO A   1       3.796   1.257  -0.756  1.00 31.33           H  
ATOM     11  HG2 PRO A   1       3.742  -1.363   0.692  1.00 74.11           H  
ATOM     12  HG3 PRO A   1       4.293   0.221   1.266  1.00 12.44           H  
ATOM     13  HD2 PRO A   1       1.865  -0.795   1.902  1.00 54.33           H  
ATOM     14  HD3 PRO A   1       2.150   0.947   1.708  1.00 20.21           H  
ATOM     15  N   TYR A   2       1.201  -2.245  -1.455  1.00 31.34           N  
ATOM     16  CA  TYR A   2       1.015  -3.551  -2.076  1.00 21.31           C  
ATOM     17  C   TYR A   2      -0.375  -4.104  -1.777  1.00 53.34           C  
ATOM     18  O   TYR A   2      -0.568  -4.914  -0.870  1.00 52.52           O  
ATOM     19  CB  TYR A   2       2.082  -4.530  -1.583  1.00 32.43           C  
ATOM     20  CG  TYR A   2       2.239  -5.749  -2.464  1.00 34.24           C  
ATOM     21  CD1 TYR A   2       2.400  -5.622  -3.838  1.00 14.23           C  
ATOM     22  CD2 TYR A   2       2.227  -7.029  -1.921  1.00 52.53           C  
ATOM     23  CE1 TYR A   2       2.542  -6.733  -4.646  1.00 44.32           C  
ATOM     24  CE2 TYR A   2       2.370  -8.145  -2.722  1.00 64.10           C  
ATOM     25  CZ  TYR A   2       2.527  -7.992  -4.084  1.00 24.12           C  
ATOM     26  OH  TYR A   2       2.671  -9.101  -4.886  1.00 32.14           O  
ATOM     27  H   TYR A   2       0.707  -2.031  -0.636  1.00 34.30           H  
ATOM     28  HA  TYR A   2       1.120  -3.428  -3.144  1.00 34.41           H  
ATOM     29  HB2 TYR A   2       3.034  -4.025  -1.544  1.00 64.13           H  
ATOM     30  HB3 TYR A   2       1.819  -4.869  -0.591  1.00 40.11           H  
ATOM     31  HD1 TYR A   2       2.411  -4.634  -4.275  1.00  4.21           H  
ATOM     32  HD2 TYR A   2       2.104  -7.145  -0.854  1.00 74.23           H  
ATOM     33  HE1 TYR A   2       2.666  -6.613  -5.712  1.00 71.14           H  
ATOM     34  HE2 TYR A   2       2.358  -9.132  -2.282  1.00 44.52           H  
ATOM     35  HH  TYR A   2       2.748  -9.885  -4.337  1.00 12.05           H  
ATOM     36  N   PRO A   3      -1.369  -3.656  -2.559  1.00 61.45           N  
ATOM     37  CA  PRO A   3      -1.151  -2.692  -3.642  1.00 33.11           C  
ATOM     38  C   PRO A   3      -0.805  -1.302  -3.119  1.00 73.11           C  
ATOM     39  O   PRO A   3      -0.099  -0.538  -3.777  1.00 70.34           O  
ATOM     40  CB  PRO A   3      -2.496  -2.669  -4.372  1.00 74.22           C  
ATOM     41  CG  PRO A   3      -3.493  -3.083  -3.345  1.00  5.45           C  
ATOM     42  CD  PRO A   3      -2.781  -4.057  -2.447  1.00 34.20           C  
ATOM     43  HA  PRO A   3      -0.378  -3.024  -4.319  1.00 43.40           H  
ATOM     44  HB2 PRO A   3      -2.694  -1.671  -4.736  1.00 52.23           H  
ATOM     45  HB3 PRO A   3      -2.473  -3.362  -5.200  1.00 24.12           H  
ATOM     46  HG2 PRO A   3      -3.817  -2.222  -2.781  1.00 13.54           H  
ATOM     47  HG3 PRO A   3      -4.335  -3.560  -3.822  1.00 55.11           H  
ATOM     48  HD2 PRO A   3      -3.131  -3.958  -1.430  1.00  3.41           H  
ATOM     49  HD3 PRO A   3      -2.924  -5.068  -2.800  1.00 22.14           H  
ATOM     50  N   VAL A   4      -1.307  -0.980  -1.931  1.00 40.20           N  
ATOM     51  CA  VAL A   4      -1.049   0.318  -1.319  1.00 14.20           C  
ATOM     52  C   VAL A   4      -0.170   0.178  -0.082  1.00 22.53           C  
ATOM     53  O   VAL A   4      -0.668   0.091   1.040  1.00 13.44           O  
ATOM     54  CB  VAL A   4      -2.361   1.023  -0.926  1.00  0.45           C  
ATOM     55  CG1 VAL A   4      -2.079   2.427  -0.412  1.00 14.13           C  
ATOM     56  CG2 VAL A   4      -3.320   1.061  -2.106  1.00  1.12           C  
ATOM     57  H   VAL A   4      -1.863  -1.631  -1.454  1.00 60.05           H  
ATOM     58  HA  VAL A   4      -0.538   0.934  -2.045  1.00 22.15           H  
ATOM     59  HB  VAL A   4      -2.825   0.459  -0.130  1.00  2.12           H  
ATOM     60 HG11 VAL A   4      -2.966   2.820   0.065  1.00 43.14           H  
ATOM     61 HG12 VAL A   4      -1.270   2.394   0.303  1.00 61.34           H  
ATOM     62 HG13 VAL A   4      -1.804   3.064  -1.239  1.00 42.41           H  
ATOM     63 HG21 VAL A   4      -3.897   0.149  -2.129  1.00 63.43           H  
ATOM     64 HG22 VAL A   4      -3.986   1.905  -2.002  1.00 53.41           H  
ATOM     65 HG23 VAL A   4      -2.759   1.157  -3.023  1.00 63.23           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        6                                                                  
ATOM      1  N   PRO A   1       1.357  -0.023  -0.056  1.00 24.33           N  
ATOM      2  CA  PRO A   1       2.130  -0.107  -1.299  1.00 15.10           C  
ATOM      3  C   PRO A   1       1.971  -1.457  -1.990  1.00  2.00           C  
ATOM      4  O   PRO A   1       2.599  -1.717  -3.017  1.00 32.12           O  
ATOM      5  CB  PRO A   1       3.574   0.089  -0.833  1.00 44.11           C  
ATOM      6  CG  PRO A   1       3.578  -0.356   0.589  1.00 73.04           C  
ATOM      7  CD  PRO A   1       2.222  -0.004   1.136  1.00 42.40           C  
ATOM      8  HA  PRO A   1       1.861   0.682  -1.987  1.00 21.25           H  
ATOM      9  HB2 PRO A   1       4.236  -0.515  -1.439  1.00 14.24           H  
ATOM     10  HB3 PRO A   1       3.847   1.130  -0.921  1.00 52.02           H  
ATOM     11  HG2 PRO A   1       3.737  -1.422   0.639  1.00 30.32           H  
ATOM     12  HG3 PRO A   1       4.349   0.166   1.135  1.00 43.44           H  
ATOM     13  HD2 PRO A   1       1.903  -0.742   1.857  1.00 53.24           H  
ATOM     14  HD3 PRO A   1       2.240   0.980   1.583  1.00 74.43           H  
ATOM     15  N   TYR A   2       1.129  -2.312  -1.421  1.00 71.21           N  
ATOM     16  CA  TYR A   2       0.890  -3.637  -1.982  1.00 13.32           C  
ATOM     17  C   TYR A   2      -0.512  -4.130  -1.635  1.00 24.21           C  
ATOM     18  O   TYR A   2      -0.713  -4.894  -0.690  1.00 43.14           O  
ATOM     19  CB  TYR A   2       1.934  -4.628  -1.466  1.00 30.13           C  
ATOM     20  CG  TYR A   2       2.205  -5.772  -2.417  1.00 10.12           C  
ATOM     21  CD1 TYR A   2       2.642  -5.534  -3.714  1.00 73.31           C  
ATOM     22  CD2 TYR A   2       2.025  -7.091  -2.017  1.00 41.43           C  
ATOM     23  CE1 TYR A   2       2.890  -6.576  -4.586  1.00 73.34           C  
ATOM     24  CE2 TYR A   2       2.272  -8.139  -2.882  1.00 61.04           C  
ATOM     25  CZ  TYR A   2       2.704  -7.877  -4.166  1.00 13.21           C  
ATOM     26  OH  TYR A   2       2.951  -8.918  -5.031  1.00 40.45           O  
ATOM     27  H   TYR A   2       0.658  -2.047  -0.604  1.00 32.43           H  
ATOM     28  HA  TYR A   2       0.978  -3.563  -3.056  1.00 34.01           H  
ATOM     29  HB2 TYR A   2       2.864  -4.107  -1.301  1.00 25.31           H  
ATOM     30  HB3 TYR A   2       1.591  -5.047  -0.531  1.00 62.51           H  
ATOM     31  HD1 TYR A   2       2.787  -4.514  -4.040  1.00 72.40           H  
ATOM     32  HD2 TYR A   2       1.687  -7.293  -1.011  1.00 51.13           H  
ATOM     33  HE1 TYR A   2       3.228  -6.371  -5.591  1.00 62.33           H  
ATOM     34  HE2 TYR A   2       2.126  -9.158  -2.554  1.00  4.42           H  
ATOM     35  HH  TYR A   2       3.844  -9.243  -4.894  1.00 12.14           H  
ATOM     36  N   PRO A   3      -1.505  -3.684  -2.418  1.00 33.32           N  
ATOM     37  CA  PRO A   3      -1.278  -2.775  -3.545  1.00  0.45           C  
ATOM     38  C   PRO A   3      -0.878  -1.376  -3.089  1.00  2.35           C  
ATOM     39  O   PRO A   3      -0.160  -0.664  -3.792  1.00 33.14           O  
ATOM     40  CB  PRO A   3      -2.635  -2.739  -4.251  1.00 54.10           C  
ATOM     41  CG  PRO A   3      -3.624  -3.075  -3.189  1.00 33.42           C  
ATOM     42  CD  PRO A   3      -2.927  -4.034  -2.263  1.00 14.52           C  
ATOM     43  HA  PRO A   3      -0.529  -3.160  -4.220  1.00 45.24           H  
ATOM     44  HB2 PRO A   3      -2.808  -1.751  -4.654  1.00 52.03           H  
ATOM     45  HB3 PRO A   3      -2.650  -3.467  -5.048  1.00 43.22           H  
ATOM     46  HG2 PRO A   3      -3.910  -2.181  -2.657  1.00 15.12           H  
ATOM     47  HG3 PRO A   3      -4.491  -3.545  -3.630  1.00 51.21           H  
ATOM     48  HD2 PRO A   3      -3.254  -3.879  -1.245  1.00 23.40           H  
ATOM     49  HD3 PRO A   3      -3.109  -5.053  -2.569  1.00 22.41           H  
ATOM     50  N   VAL A   4      -1.346  -0.987  -1.907  1.00 10.13           N  
ATOM     51  CA  VAL A   4      -1.035   0.327  -1.356  1.00 74.10           C  
ATOM     52  C   VAL A   4      -0.137   0.210  -0.130  1.00 15.45           C  
ATOM     53  O   VAL A   4      -0.617   0.189   1.004  1.00 60.41           O  
ATOM     54  CB  VAL A   4      -2.316   1.091  -0.970  1.00 71.13           C  
ATOM     55  CG1 VAL A   4      -1.977   2.494  -0.489  1.00 61.55           C  
ATOM     56  CG2 VAL A   4      -3.281   1.140  -2.145  1.00 60.13           C  
ATOM     57  H   VAL A   4      -1.913  -1.599  -1.393  1.00 12.44           H  
ATOM     58  HA  VAL A   4      -0.518   0.894  -2.116  1.00 53.04           H  
ATOM     59  HB  VAL A   4      -2.796   0.563  -0.160  1.00 22.45           H  
ATOM     60 HG11 VAL A   4      -1.890   2.493   0.587  1.00  4.32           H  
ATOM     61 HG12 VAL A   4      -1.041   2.808  -0.928  1.00 13.41           H  
ATOM     62 HG13 VAL A   4      -2.761   3.175  -0.786  1.00 31.31           H  
ATOM     63 HG21 VAL A   4      -3.960   0.303  -2.087  1.00 74.43           H  
ATOM     64 HG22 VAL A   4      -3.843   2.062  -2.112  1.00 40.11           H  
ATOM     65 HG23 VAL A   4      -2.726   1.090  -3.070  1.00 43.40           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        7                                                                  
ATOM      1  N   PRO A   1       1.377   0.022  -0.087  1.00 61.24           N  
ATOM      2  CA  PRO A   1       2.132  -0.058  -1.341  1.00 62.13           C  
ATOM      3  C   PRO A   1       1.990  -1.417  -2.018  1.00 24.43           C  
ATOM      4  O   PRO A   1       2.608  -1.675  -3.051  1.00 41.33           O  
ATOM      5  CB  PRO A   1       3.580   0.171  -0.899  1.00 74.40           C  
ATOM      6  CG  PRO A   1       3.613  -0.261   0.526  1.00 31.14           C  
ATOM      7  CD  PRO A   1       2.259   0.070   1.091  1.00 70.50           C  
ATOM      8  HA  PRO A   1       1.838   0.719  -2.032  1.00 31.32           H  
ATOM      9  HB2 PRO A   1       4.244  -0.426  -1.509  1.00 14.30           H  
ATOM     10  HB3 PRO A   1       3.830   1.216  -1.001  1.00 20.14           H  
ATOM     11  HG2 PRO A   1       3.794  -1.324   0.584  1.00  0.42           H  
ATOM     12  HG3 PRO A   1       4.382   0.281   1.056  1.00  0.50           H  
ATOM     13  HD2 PRO A   1       1.965  -0.668   1.823  1.00 71.01           H  
ATOM     14  HD3 PRO A   1       2.264   1.057   1.528  1.00 15.05           H  
ATOM     15  N   TYR A   2       1.173  -2.284  -1.429  1.00  5.52           N  
ATOM     16  CA  TYR A   2       0.952  -3.618  -1.974  1.00  3.30           C  
ATOM     17  C   TYR A   2      -0.434  -4.135  -1.602  1.00 22.30           C  
ATOM     18  O   TYR A   2      -0.606  -4.894  -0.648  1.00 10.13           O  
ATOM     19  CB  TYR A   2       2.023  -4.584  -1.465  1.00  3.45           C  
ATOM     20  CG  TYR A   2       2.261  -5.762  -2.381  1.00 63.14           C  
ATOM     21  CD1 TYR A   2       3.296  -5.748  -3.309  1.00 12.30           C  
ATOM     22  CD2 TYR A   2       1.451  -6.889  -2.321  1.00 25.40           C  
ATOM     23  CE1 TYR A   2       3.517  -6.822  -4.149  1.00 52.23           C  
ATOM     24  CE2 TYR A   2       1.666  -7.969  -3.156  1.00 51.42           C  
ATOM     25  CZ  TYR A   2       2.700  -7.930  -4.069  1.00 15.03           C  
ATOM     26  OH  TYR A   2       2.916  -9.002  -4.903  1.00 75.45           O  
ATOM     27  H   TYR A   2       0.709  -2.020  -0.607  1.00 61.50           H  
ATOM     28  HA  TYR A   2       1.023  -3.552  -3.050  1.00 31.31           H  
ATOM     29  HB2 TYR A   2       2.957  -4.053  -1.359  1.00 53.42           H  
ATOM     30  HB3 TYR A   2       1.723  -4.968  -0.501  1.00 34.01           H  
ATOM     31  HD1 TYR A   2       3.934  -4.878  -3.370  1.00 23.23           H  
ATOM     32  HD2 TYR A   2       0.642  -6.916  -1.605  1.00 64.13           H  
ATOM     33  HE1 TYR A   2       4.326  -6.792  -4.864  1.00 22.21           H  
ATOM     34  HE2 TYR A   2       1.026  -8.836  -3.094  1.00 32.23           H  
ATOM     35  HH  TYR A   2       2.555  -8.809  -5.772  1.00 73.40           H  
ATOM     36  N   PRO A   3      -1.447  -3.716  -2.374  1.00 75.30           N  
ATOM     37  CA  PRO A   3      -1.255  -2.813  -3.512  1.00 44.12           C  
ATOM     38  C   PRO A   3      -0.876  -1.402  -3.075  1.00 25.22           C  
ATOM     39  O   PRO A   3      -0.182  -0.683  -3.795  1.00 34.32           O  
ATOM     40  CB  PRO A   3      -2.623  -2.810  -4.199  1.00 23.42           C  
ATOM     41  CG  PRO A   3      -3.589  -3.156  -3.119  1.00 71.21           C  
ATOM     42  CD  PRO A   3      -2.860  -4.092  -2.195  1.00 10.11           C  
ATOM     43  HA  PRO A   3      -0.508  -3.190  -4.196  1.00  3.44           H  
ATOM     44  HB2 PRO A   3      -2.821  -1.830  -4.608  1.00 41.24           H  
ATOM     45  HB3 PRO A   3      -2.634  -3.546  -4.989  1.00 53.21           H  
ATOM     46  HG2 PRO A   3      -3.885  -2.263  -2.591  1.00 51.41           H  
ATOM     47  HG3 PRO A   3      -4.453  -3.647  -3.543  1.00 42.43           H  
ATOM     48  HD2 PRO A   3      -3.174  -3.935  -1.174  1.00 14.32           H  
ATOM     49  HD3 PRO A   3      -3.026  -5.118  -2.489  1.00  3.10           H  
ATOM     50  N   VAL A   4      -1.334  -1.012  -1.890  1.00 11.51           N  
ATOM     51  CA  VAL A   4      -1.042   0.313  -1.356  1.00  4.22           C  
ATOM     52  C   VAL A   4      -0.123   0.226  -0.142  1.00 60.22           C  
ATOM     53  O   VAL A   4      -0.585   0.205   0.999  1.00 42.54           O  
ATOM     54  CB  VAL A   4      -2.331   1.055  -0.957  1.00 52.14           C  
ATOM     55  CG1 VAL A   4      -2.017   2.480  -0.529  1.00  2.41           C  
ATOM     56  CG2 VAL A   4      -3.329   1.043  -2.106  1.00 21.44           C  
ATOM     57  H   VAL A   4      -1.882  -1.629  -1.362  1.00 63.40           H  
ATOM     58  HA  VAL A   4      -0.547   0.883  -2.129  1.00 14.40           H  
ATOM     59  HB  VAL A   4      -2.774   0.540  -0.118  1.00 31.13           H  
ATOM     60 HG11 VAL A   4      -1.976   2.531   0.549  1.00 21.03           H  
ATOM     61 HG12 VAL A   4      -1.064   2.779  -0.941  1.00 71.32           H  
ATOM     62 HG13 VAL A   4      -2.789   3.143  -0.890  1.00 53.23           H  
ATOM     63 HG21 VAL A   4      -4.057   1.826  -1.957  1.00 51.03           H  
ATOM     64 HG22 VAL A   4      -2.808   1.207  -3.038  1.00  1.52           H  
ATOM     65 HG23 VAL A   4      -3.829   0.086  -2.138  1.00 14.42           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        8                                                                  
ATOM      1  N   PRO A   1       1.338   0.028  -0.020  1.00 64.03           N  
ATOM      2  CA  PRO A   1       2.113   0.044  -1.265  1.00 55.40           C  
ATOM      3  C   PRO A   1       2.035  -1.282  -2.013  1.00 41.14           C  
ATOM      4  O   PRO A   1       2.676  -1.460  -3.050  1.00  1.55           O  
ATOM      5  CB  PRO A   1       3.544   0.307  -0.789  1.00 55.34           C  
ATOM      6  CG  PRO A   1       3.576  -0.197   0.612  1.00 74.30           C  
ATOM      7  CD  PRO A   1       2.202   0.049   1.172  1.00 20.22           C  
ATOM      8  HA  PRO A   1       1.796   0.844  -1.919  1.00 10.14           H  
ATOM      9  HB2 PRO A   1       4.239  -0.229  -1.419  1.00 62.14           H  
ATOM     10  HB3 PRO A   1       3.752   1.366  -0.833  1.00 24.44           H  
ATOM     11  HG2 PRO A   1       3.799  -1.253   0.617  1.00 21.21           H  
ATOM     12  HG3 PRO A   1       4.315   0.347   1.181  1.00 51.02           H  
ATOM     13  HD2 PRO A   1       1.929  -0.737   1.860  1.00 34.42           H  
ATOM     14  HD3 PRO A   1       2.161   1.011   1.661  1.00 54.34           H  
ATOM     15  N   TYR A   2       1.247  -2.210  -1.483  1.00 13.02           N  
ATOM     16  CA  TYR A   2       1.087  -3.521  -2.100  1.00 23.31           C  
ATOM     17  C   TYR A   2      -0.281  -4.113  -1.777  1.00 13.15           C  
ATOM     18  O   TYR A   2      -0.435  -4.927  -0.866  1.00 11.35           O  
ATOM     19  CB  TYR A   2       2.190  -4.469  -1.625  1.00 70.11           C  
ATOM     20  CG  TYR A   2       2.293  -5.737  -2.443  1.00 52.52           C  
ATOM     21  CD1 TYR A   2       2.948  -5.744  -3.669  1.00 21.34           C  
ATOM     22  CD2 TYR A   2       1.734  -6.926  -1.992  1.00  1.32           C  
ATOM     23  CE1 TYR A   2       3.044  -6.900  -4.420  1.00 10.40           C  
ATOM     24  CE2 TYR A   2       1.826  -8.086  -2.736  1.00 24.03           C  
ATOM     25  CZ  TYR A   2       2.482  -8.068  -3.949  1.00 41.10           C  
ATOM     26  OH  TYR A   2       2.575  -9.221  -4.694  1.00 30.43           O  
ATOM     27  H   TYR A   2       0.761  -2.009  -0.655  1.00 64.44           H  
ATOM     28  HA  TYR A   2       1.169  -3.397  -3.170  1.00  4.33           H  
ATOM     29  HB2 TYR A   2       3.140  -3.961  -1.681  1.00 24.32           H  
ATOM     30  HB3 TYR A   2       1.997  -4.750  -0.600  1.00 71.32           H  
ATOM     31  HD1 TYR A   2       3.387  -4.828  -4.035  1.00  3.42           H  
ATOM     32  HD2 TYR A   2       1.221  -6.936  -1.041  1.00 72.30           H  
ATOM     33  HE1 TYR A   2       3.558  -6.886  -5.370  1.00 75.11           H  
ATOM     34  HE2 TYR A   2       1.386  -9.001  -2.367  1.00 41.14           H  
ATOM     35  HH  TYR A   2       1.858  -9.248  -5.332  1.00 65.43           H  
ATOM     36  N   PRO A   3      -1.301  -3.695  -2.541  1.00 61.04           N  
ATOM     37  CA  PRO A   3      -1.130  -2.726  -3.628  1.00 70.32           C  
ATOM     38  C   PRO A   3      -0.815  -1.326  -3.113  1.00 23.34           C  
ATOM     39  O   PRO A   3      -0.142  -0.543  -3.784  1.00 34.41           O  
ATOM     40  CB  PRO A   3      -2.488  -2.743  -4.335  1.00  2.43           C  
ATOM     41  CG  PRO A   3      -3.454  -3.183  -3.289  1.00 44.03           C  
ATOM     42  CD  PRO A   3      -2.699  -4.136  -2.404  1.00 12.33           C  
ATOM     43  HA  PRO A   3      -0.359  -3.036  -4.319  1.00 33.44           H  
ATOM     44  HB2 PRO A   3      -2.720  -1.751  -4.696  1.00 54.30           H  
ATOM     45  HB3 PRO A   3      -2.459  -3.436  -5.162  1.00 41.41           H  
ATOM     46  HG2 PRO A   3      -3.793  -2.331  -2.720  1.00 42.24           H  
ATOM     47  HG3 PRO A   3      -4.291  -3.685  -3.752  1.00  2.35           H  
ATOM     48  HD2 PRO A   3      -3.033  -4.045  -1.381  1.00 12.13           H  
ATOM     49  HD3 PRO A   3      -2.819  -5.151  -2.753  1.00  1.20           H  
ATOM     50  N   VAL A   4      -1.304  -1.017  -1.916  1.00 30.11           N  
ATOM     51  CA  VAL A   4      -1.073   0.288  -1.309  1.00 42.55           C  
ATOM     52  C   VAL A   4      -0.168   0.174  -0.088  1.00  2.51           C  
ATOM     53  O   VAL A   4      -0.644   0.076   1.043  1.00 63.00           O  
ATOM     54  CB  VAL A   4      -2.397   0.956  -0.893  1.00 42.43           C  
ATOM     55  CG1 VAL A   4      -2.138   2.336  -0.306  1.00 61.43           C  
ATOM     56  CG2 VAL A   4      -3.346   1.042  -2.079  1.00 44.23           C  
ATOM     57  H   VAL A   4      -1.833  -1.683  -1.429  1.00 65.40           H  
ATOM     58  HA  VAL A   4      -0.592   0.918  -2.044  1.00 61.44           H  
ATOM     59  HB  VAL A   4      -2.860   0.347  -0.132  1.00 34.33           H  
ATOM     60 HG11 VAL A   4      -1.716   2.976  -1.067  1.00  1.54           H  
ATOM     61 HG12 VAL A   4      -3.068   2.757   0.047  1.00 44.34           H  
ATOM     62 HG13 VAL A   4      -1.445   2.251   0.518  1.00 44.43           H  
ATOM     63 HG21 VAL A   4      -3.401   0.080  -2.565  1.00 60.43           H  
ATOM     64 HG22 VAL A   4      -4.329   1.328  -1.734  1.00 41.15           H  
ATOM     65 HG23 VAL A   4      -2.982   1.779  -2.779  1.00 42.34           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL        9                                                                  
ATOM      1  N   PRO A   1       1.351  -0.002  -0.069  1.00  4.02           N  
ATOM      2  CA  PRO A   1       2.116  -0.066  -1.318  1.00  4.14           C  
ATOM      3  C   PRO A   1       1.976  -1.415  -2.015  1.00  1.30           C  
ATOM      4  O   PRO A   1       2.601  -1.659  -3.047  1.00 44.22           O  
ATOM      5  CB  PRO A   1       3.561   0.152  -0.860  1.00 71.12           C  
ATOM      6  CG  PRO A   1       3.581  -0.301   0.559  1.00 42.20           C  
ATOM      7  CD  PRO A   1       2.224   0.026   1.117  1.00 33.22           C  
ATOM      8  HA  PRO A   1       1.830   0.722  -1.999  1.00 62.20           H  
ATOM      9  HB2 PRO A   1       4.228  -0.438  -1.473  1.00 40.44           H  
ATOM     10  HB3 PRO A   1       3.815   1.198  -0.944  1.00 62.34           H  
ATOM     11  HG2 PRO A   1       3.759  -1.365   0.603  1.00 53.54           H  
ATOM     12  HG3 PRO A   1       4.348   0.232   1.103  1.00 75.43           H  
ATOM     13  HD2 PRO A   1       1.921  -0.722   1.836  1.00 44.51           H  
ATOM     14  HD3 PRO A   1       2.228   1.007   1.569  1.00 34.22           H  
ATOM     15  N   TYR A   2       1.152  -2.287  -1.445  1.00 51.14           N  
ATOM     16  CA  TYR A   2       0.931  -3.612  -2.012  1.00 23.22           C  
ATOM     17  C   TYR A   2      -0.459  -4.131  -1.659  1.00 13.04           C  
ATOM     18  O   TYR A   2      -0.641  -4.903  -0.717  1.00 14.01           O  
ATOM     19  CB  TYR A   2       1.995  -4.589  -1.508  1.00 43.20           C  
ATOM     20  CG  TYR A   2       2.219  -5.768  -2.428  1.00  1.23           C  
ATOM     21  CD1 TYR A   2       2.803  -5.599  -3.677  1.00 40.20           C  
ATOM     22  CD2 TYR A   2       1.847  -7.051  -2.047  1.00 25.43           C  
ATOM     23  CE1 TYR A   2       3.009  -6.673  -4.521  1.00 34.13           C  
ATOM     24  CE2 TYR A   2       2.051  -8.132  -2.883  1.00 54.13           C  
ATOM     25  CZ  TYR A   2       2.631  -7.938  -4.119  1.00 50.53           C  
ATOM     26  OH  TYR A   2       2.835  -9.011  -4.956  1.00 44.53           O  
ATOM     27  H   TYR A   2       0.682  -2.034  -0.624  1.00 33.54           H  
ATOM     28  HA  TYR A   2       1.011  -3.531  -3.086  1.00 72.30           H  
ATOM     29  HB2 TYR A   2       2.934  -4.066  -1.405  1.00 72.42           H  
ATOM     30  HB3 TYR A   2       1.695  -4.972  -0.544  1.00 34.11           H  
ATOM     31  HD1 TYR A   2       3.098  -4.607  -3.988  1.00 40.01           H  
ATOM     32  HD2 TYR A   2       1.393  -7.200  -1.078  1.00 20.42           H  
ATOM     33  HE1 TYR A   2       3.464  -6.521  -5.488  1.00 75.34           H  
ATOM     34  HE2 TYR A   2       1.755  -9.122  -2.570  1.00 31.24           H  
ATOM     35  HH  TYR A   2       3.773  -9.211  -4.995  1.00 64.44           H  
ATOM     36  N   PRO A   3      -1.465  -3.698  -2.433  1.00 15.35           N  
ATOM     37  CA  PRO A   3      -1.261  -2.778  -3.556  1.00 22.32           C  
ATOM     38  C   PRO A   3      -0.881  -1.375  -3.095  1.00 31.33           C  
ATOM     39  O   PRO A   3      -0.180  -0.648  -3.798  1.00 70.15           O  
ATOM     40  CB  PRO A   3      -2.623  -2.762  -4.253  1.00 53.53           C  
ATOM     41  CG  PRO A   3      -3.599  -3.120  -3.186  1.00 73.25           C  
ATOM     42  CD  PRO A   3      -2.881  -4.071  -2.270  1.00 65.53           C  
ATOM     43  HA  PRO A   3      -0.509  -3.147  -4.239  1.00 34.24           H  
ATOM     44  HB2 PRO A   3      -2.815  -1.774  -4.650  1.00 72.50           H  
ATOM     45  HB3 PRO A   3      -2.631  -3.485  -5.054  1.00 64.33           H  
ATOM     46  HG2 PRO A   3      -3.897  -2.234  -2.648  1.00  0.52           H  
ATOM     47  HG3 PRO A   3      -4.461  -3.602  -3.625  1.00 10.32           H  
ATOM     48  HD2 PRO A   3      -3.203  -3.928  -1.250  1.00 24.35           H  
ATOM     49  HD3 PRO A   3      -3.047  -5.093  -2.581  1.00  2.43           H  
ATOM     50  N   VAL A   4      -1.348  -1.001  -1.908  1.00 11.41           N  
ATOM     51  CA  VAL A   4      -1.056   0.315  -1.352  1.00 40.31           C  
ATOM     52  C   VAL A   4      -0.148   0.207  -0.132  1.00 43.34           C  
ATOM     53  O   VAL A   4      -0.619   0.172   1.004  1.00 21.41           O  
ATOM     54  CB  VAL A   4      -2.347   1.055  -0.953  1.00 44.34           C  
ATOM     55  CG1 VAL A   4      -2.019   2.412  -0.349  1.00 54.21           C  
ATOM     56  CG2 VAL A   4      -3.267   1.206  -2.155  1.00 61.33           C  
ATOM     57  H   VAL A   4      -1.902  -1.624  -1.394  1.00 22.54           H  
ATOM     58  HA  VAL A   4      -0.554   0.895  -2.113  1.00  2.22           H  
ATOM     59  HB  VAL A   4      -2.859   0.467  -0.206  1.00  5.21           H  
ATOM     60 HG11 VAL A   4      -1.181   2.846  -0.873  1.00 44.42           H  
ATOM     61 HG12 VAL A   4      -2.877   3.063  -0.438  1.00 71.31           H  
ATOM     62 HG13 VAL A   4      -1.767   2.290   0.694  1.00 64.11           H  
ATOM     63 HG21 VAL A   4      -3.634   0.234  -2.451  1.00 25.02           H  
ATOM     64 HG22 VAL A   4      -4.101   1.841  -1.893  1.00 72.54           H  
ATOM     65 HG23 VAL A   4      -2.721   1.649  -2.974  1.00 42.42           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
MODEL       10                                                                  
ATOM      1  N   PRO A   1       1.332   0.004  -0.043  1.00 64.01           N  
ATOM      2  CA  PRO A   1       2.122  -0.062  -1.277  1.00 33.33           C  
ATOM      3  C   PRO A   1       1.998  -1.414  -1.972  1.00  3.12           C  
ATOM      4  O   PRO A   1       2.644  -1.660  -2.991  1.00 52.21           O  
ATOM      5  CB  PRO A   1       3.556   0.161  -0.792  1.00 64.21           C  
ATOM      6  CG  PRO A   1       3.550  -0.287   0.629  1.00 43.22           C  
ATOM      7  CD  PRO A   1       2.181   0.038   1.159  1.00  4.15           C  
ATOM      8  HA  PRO A   1       1.847   0.722  -1.966  1.00 54.33           H  
ATOM      9  HB2 PRO A   1       4.237  -0.429  -1.390  1.00 52.02           H  
ATOM     10  HB3 PRO A   1       3.810   1.207  -0.875  1.00 54.01           H  
ATOM     11  HG2 PRO A   1       3.730  -1.350   0.680  1.00 53.14           H  
ATOM     12  HG3 PRO A   1       4.305   0.249   1.185  1.00 14.54           H  
ATOM     13  HD2 PRO A   1       1.867  -0.707   1.875  1.00 62.43           H  
ATOM     14  HD3 PRO A   1       2.174   1.021   1.608  1.00 61.31           H  
ATOM     15  N   TYR A   2       1.166  -2.286  -1.415  1.00 71.40           N  
ATOM     16  CA  TYR A   2       0.960  -3.614  -1.981  1.00 34.32           C  
ATOM     17  C   TYR A   2      -0.436  -4.136  -1.653  1.00 12.52           C  
ATOM     18  O   TYR A   2      -0.635  -4.904  -0.712  1.00 24.50           O  
ATOM     19  CB  TYR A   2       2.016  -4.586  -1.453  1.00 62.30           C  
ATOM     20  CG  TYR A   2       2.267  -5.763  -2.368  1.00 64.23           C  
ATOM     21  CD1 TYR A   2       2.792  -5.578  -3.642  1.00 32.32           C  
ATOM     22  CD2 TYR A   2       1.979  -7.060  -1.960  1.00 45.25           C  
ATOM     23  CE1 TYR A   2       3.022  -6.651  -4.482  1.00  3.51           C  
ATOM     24  CE2 TYR A   2       2.208  -8.138  -2.793  1.00 41.13           C  
ATOM     25  CZ  TYR A   2       2.729  -7.928  -4.053  1.00 24.30           C  
ATOM     26  OH  TYR A   2       2.957  -9.000  -4.886  1.00 43.51           O  
ATOM     27  H   TYR A   2       0.679  -2.032  -0.603  1.00 64.51           H  
ATOM     28  HA  TYR A   2       1.060  -3.537  -3.054  1.00 12.04           H  
ATOM     29  HB2 TYR A   2       2.950  -4.060  -1.328  1.00 15.53           H  
ATOM     30  HB3 TYR A   2       1.695  -4.972  -0.497  1.00 32.04           H  
ATOM     31  HD1 TYR A   2       3.020  -4.576  -3.975  1.00 23.30           H  
ATOM     32  HD2 TYR A   2       1.571  -7.220  -0.973  1.00 72.42           H  
ATOM     33  HE1 TYR A   2       3.431  -6.487  -5.468  1.00 53.14           H  
ATOM     34  HE2 TYR A   2       1.978  -9.138  -2.458  1.00 23.52           H  
ATOM     35  HH  TYR A   2       2.245  -9.064  -5.527  1.00  0.43           H  
ATOM     36  N   PRO A   3      -1.428  -3.708  -2.448  1.00 12.22           N  
ATOM     37  CA  PRO A   3      -1.204  -2.792  -3.570  1.00 51.03           C  
ATOM     38  C   PRO A   3      -0.837  -1.386  -3.107  1.00 71.32           C  
ATOM     39  O   PRO A   3      -0.125  -0.660  -3.800  1.00 44.30           O  
ATOM     40  CB  PRO A   3      -2.553  -2.781  -4.294  1.00 62.52           C  
ATOM     41  CG  PRO A   3      -3.549  -3.139  -3.245  1.00 45.23           C  
ATOM     42  CD  PRO A   3      -2.845  -4.085  -2.312  1.00 12.23           C  
ATOM     43  HA  PRO A   3      -0.439  -3.161  -4.237  1.00 23.41           H  
ATOM     44  HB2 PRO A   3      -2.740  -1.796  -4.698  1.00 64.43           H  
ATOM     45  HB3 PRO A   3      -2.543  -3.508  -5.092  1.00 64.25           H  
ATOM     46  HG2 PRO A   3      -3.859  -2.251  -2.716  1.00  1.02           H  
ATOM     47  HG3 PRO A   3      -4.400  -3.624  -3.698  1.00 72.34           H  
ATOM     48  HD2 PRO A   3      -3.187  -3.939  -1.298  1.00 15.31           H  
ATOM     49  HD3 PRO A   3      -3.003  -5.107  -2.621  1.00 63.45           H  
ATOM     50  N   VAL A   4      -1.328  -1.009  -1.931  1.00  0.40           N  
ATOM     51  CA  VAL A   4      -1.050   0.310  -1.374  1.00 51.15           C  
ATOM     52  C   VAL A   4      -0.166   0.209  -0.137  1.00  5.11           C  
ATOM     53  O   VAL A   4      -0.659   0.176   0.990  1.00 22.33           O  
ATOM     54  CB  VAL A   4      -2.350   1.048  -1.004  1.00 12.22           C  
ATOM     55  CG1 VAL A   4      -2.039   2.413  -0.409  1.00 44.01           C  
ATOM     56  CG2 VAL A   4      -3.252   1.181  -2.221  1.00 54.44           C  
ATOM     57  H   VAL A   4      -1.890  -1.632  -1.425  1.00 63.11           H  
ATOM     58  HA  VAL A   4      -0.535   0.889  -2.127  1.00 63.54           H  
ATOM     59  HB  VAL A   4      -2.871   0.466  -0.258  1.00 60.41           H  
ATOM     60 HG11 VAL A   4      -2.818   3.110  -0.680  1.00 33.20           H  
ATOM     61 HG12 VAL A   4      -1.983   2.333   0.667  1.00 51.23           H  
ATOM     62 HG13 VAL A   4      -1.093   2.765  -0.794  1.00  3.55           H  
ATOM     63 HG21 VAL A   4      -3.833   0.278  -2.339  1.00 44.40           H  
ATOM     64 HG22 VAL A   4      -3.918   2.022  -2.087  1.00 30.23           H  
ATOM     65 HG23 VAL A   4      -2.648   1.339  -3.102  1.00 51.12           H  
TER      66      VAL A   4                                                      
ENDMDL                                                                          
CONECT    1   52                                                                
CONECT   52    1                                                                
MASTER       97    0    0    0    0    0    0    6   33    1    2    1          
END