HEADER    DE NOVO PROTEIN                         11-SEP-01   1JY9              
TITLE     MINIMIZED AVERAGE STRUCTURE OF DP-TT2                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DP-TT2;                                                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED BY SOLID PHASE PEPTIDE    
SOURCE   4 SYNTHESIS.                                                           
KEYWDS    BETA-HAIRPIN, DE NOVO PROTEIN                                         
EXPDTA    SOLUTION NMR                                                          
AUTHOR    H.E.STANGER,F.A.SYUD,J.F.ESPINOSA,I.GIRIAT,T.MUIR,S.H.GELLMAN         
REVDAT   4   23-FEB-22 1JY9    1       REMARK LINK                              
REVDAT   3   24-FEB-09 1JY9    1       VERSN                                    
REVDAT   2   17-OCT-01 1JY9    1       JRNL                                     
REVDAT   1   19-SEP-01 1JY9    0                                                
JRNL        AUTH   H.E.STANGER,F.A.SYUD,J.F.ESPINOSA,I.GIRIAT,T.MUIR,           
JRNL        AUTH 2 S.H.GELLMAN                                                  
JRNL        TITL   LENGTH-DEPENDENT STABILITY AND STRAND LENGTH LIMITS IN       
JRNL        TITL 2 ANTIPARALLEL BETA -SHEET SECONDARY STRUCTURE.                
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V.  98 12015 2001              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   11593011                                                     
JRNL        DOI    10.1073/PNAS.211536998                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : DIANA 1.5, DIANA 1.5                                 
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER, WUTHRICH (DIANA), GUNTERT,     
REMARK   3                 MUMENTHALER, WUTHRICH (DIANA)                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1JY9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-SEP-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000014325.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 277                                
REMARK 210  PH                             : 3.8                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM PEPTIDE                       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY                           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NULL                               
REMARK 210   METHOD USED                   : NOE INTENSITIES WERE               
REMARK 210                                   QUALITATIVELY ASSIGNED TO BE       
REMARK 210                                   STRONG, MEDIUM, WEAK OR VERY       
REMARK 210                                   WEAK, AND ASSIGNED CONSTRAINTS     
REMARK 210                                   OF 3, 4, 5, AND 6 RESPECTIVELY;    
REMARK 210                                   A TOTAL OF 32 RESTRAINTS WERE      
REMARK 210                                   USED FOR DP-TT2. RESTRAINTS WERE   
REMARK 210                                   CHECKED USING "DISTANCE CHECK"     
REMARK 210                                   FUNCTION WITHIN DYANA WHICH        
REMARK 210                                   SHOWED THERE WERE NO "LONELY" OR   
REMARK 210                                   POSSIBLY MISASSIGNED NOES WHICH    
REMARK 210                                   COULD UNDULY INFLUENCE THE FINAL   
REMARK 210                                   CONFORMATION. DYANA WAS USED TO    
REMARK 210                                   GENERATE 500 RANDOM STRUCTURES,    
REMARK 210                                   WHICH WERE SUBSEQUENTLY            
REMARK 210                                   ANNEALED. THE BEST 10 STRUCTURES   
REMARK 210                                   (FEWEST RESTRAINT VIOLATIONS)      
REMARK 210                                   WERE SELECTED. THIS ENTRY          
REMARK 210                                   CONTAINS THE MINIMIZED AVERAGE     
REMARK 210                                   STRUCTURE.                         
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: ROESY TO CHECK FOR SPIN DIFFUSION.                           
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    THR A   2      -43.06   -174.13                                   
REMARK 500    LYS A  12      -91.40   -160.13                                   
REMARK 500    LYS A  13     -177.41    179.80                                   
REMARK 500    ILE A  14      147.94   -176.36                                   
REMARK 500    THR A  17       37.29   -153.93                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 RESIDUE 12 IN THE PEPTIDE IS ORNITHINE.                              
REMARK 999 FOR MODELLING, LYSINE WAS USED IN PLACE                              
REMARK 999 OF ORNITHINE FOR EASE OF CALCULATION.                                
DBREF  1JY9 A    1    20  PDB    1JY9     1JY9             1     20             
SEQRES   1 A   20  THR THR THR THR ARG TYR VAL GLU VAL DPR GLY LYS LYS          
SEQRES   2 A   20  ILE LEU GLN THR THR THR THR                                  
MODRES 1JY9 DPR A   10  PRO  D-PROLINE                                          
HET    DPR  A  10      14                                                       
HETNAM     DPR D-PROLINE                                                        
FORMUL   1  DPR    C5 H9 N O2                                                   
SHEET    1   A 2 TYR A   6  VAL A   7  0                                        
SHEET    2   A 2 ILE A  14  LEU A  15 -1  O  ILE A  14   N  VAL A   7           
LINK         C   VAL A   9                 N   DPR A  10     1555   1555  1.36  
LINK         C   DPR A  10                 N   GLY A  11     1555   1555  1.32  
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   THR A   1       1.325   0.000   0.000  1.00  0.00           N  
ATOM      2  CA  THR A   1       2.073   0.000  -1.245  1.00  0.00           C  
ATOM      3  C   THR A   1       2.263  -1.431  -1.753  1.00  0.00           C  
ATOM      4  O   THR A   1       3.374  -1.959  -1.731  1.00  0.00           O  
ATOM      5  CB  THR A   1       3.391   0.740  -1.005  1.00  0.00           C  
ATOM      6  OG1 THR A   1       4.058   0.678  -2.263  1.00  0.00           O  
ATOM      7  CG2 THR A   1       4.321  -0.015  -0.053  1.00  0.00           C  
ATOM      8  H   THR A   1       1.884   0.000   0.829  1.00  0.00           H  
ATOM      9  HA  THR A   1       1.490   0.531  -1.997  1.00  0.00           H  
ATOM     10  HB  THR A   1       3.209   1.754  -0.650  1.00  0.00           H  
ATOM     11  HG1 THR A   1       4.263  -0.273  -2.495  1.00  0.00           H  
ATOM     12 HG21 THR A   1       4.675   0.664   0.723  1.00  0.00           H  
ATOM     13 HG22 THR A   1       3.777  -0.840   0.407  1.00  0.00           H  
ATOM     14 HG23 THR A   1       5.172  -0.406  -0.610  1.00  0.00           H  
ATOM     15  N   THR A   2       1.162  -2.017  -2.200  1.00  0.00           N  
ATOM     16  CA  THR A   2       1.194  -3.376  -2.713  1.00  0.00           C  
ATOM     17  C   THR A   2      -0.169  -3.758  -3.295  1.00  0.00           C  
ATOM     18  O   THR A   2      -0.244  -4.366  -4.362  1.00  0.00           O  
ATOM     19  CB  THR A   2       1.651  -4.298  -1.581  1.00  0.00           C  
ATOM     20  OG1 THR A   2       1.475  -5.610  -2.109  1.00  0.00           O  
ATOM     21  CG2 THR A   2       0.712  -4.254  -0.374  1.00  0.00           C  
ATOM     22  H   THR A   2       0.263  -1.581  -2.214  1.00  0.00           H  
ATOM     23  HA  THR A   2       1.914  -3.419  -3.530  1.00  0.00           H  
ATOM     24  HB  THR A   2       2.676  -4.073  -1.285  1.00  0.00           H  
ATOM     25  HG1 THR A   2       1.911  -5.678  -3.007  1.00  0.00           H  
ATOM     26 HG21 THR A   2       0.752  -3.265   0.082  1.00  0.00           H  
ATOM     27 HG22 THR A   2      -0.308  -4.463  -0.699  1.00  0.00           H  
ATOM     28 HG23 THR A   2       1.021  -5.003   0.355  1.00  0.00           H  
ATOM     29  N   THR A   3      -1.212  -3.386  -2.568  1.00  0.00           N  
ATOM     30  CA  THR A   3      -2.568  -3.683  -2.999  1.00  0.00           C  
ATOM     31  C   THR A   3      -3.110  -2.549  -3.872  1.00  0.00           C  
ATOM     32  O   THR A   3      -2.361  -1.665  -4.283  1.00  0.00           O  
ATOM     33  CB  THR A   3      -3.413  -3.947  -1.751  1.00  0.00           C  
ATOM     34  OG1 THR A   3      -3.229  -2.780  -0.954  1.00  0.00           O  
ATOM     35  CG2 THR A   3      -2.849  -5.079  -0.890  1.00  0.00           C  
ATOM     36  H   THR A   3      -1.143  -2.892  -1.702  1.00  0.00           H  
ATOM     37  HA  THR A   3      -2.543  -4.580  -3.618  1.00  0.00           H  
ATOM     38  HB  THR A   3      -4.452  -4.141  -2.019  1.00  0.00           H  
ATOM     39  HG1 THR A   3      -3.996  -2.152  -1.084  1.00  0.00           H  
ATOM     40 HG21 THR A   3      -1.928  -5.452  -1.338  1.00  0.00           H  
ATOM     41 HG22 THR A   3      -2.640  -4.704   0.112  1.00  0.00           H  
ATOM     42 HG23 THR A   3      -3.578  -5.888  -0.831  1.00  0.00           H  
ATOM     43  N   THR A   4      -4.408  -2.612  -4.128  1.00  0.00           N  
ATOM     44  CA  THR A   4      -5.060  -1.602  -4.944  1.00  0.00           C  
ATOM     45  C   THR A   4      -5.398  -0.371  -4.100  1.00  0.00           C  
ATOM     46  O   THR A   4      -6.325  -0.403  -3.292  1.00  0.00           O  
ATOM     47  CB  THR A   4      -6.284  -2.242  -5.601  1.00  0.00           C  
ATOM     48  OG1 THR A   4      -5.735  -3.084  -6.611  1.00  0.00           O  
ATOM     49  CG2 THR A   4      -7.128  -1.230  -6.378  1.00  0.00           C  
ATOM     50  H   THR A   4      -5.011  -3.335  -3.790  1.00  0.00           H  
ATOM     51  HA  THR A   4      -4.360  -1.279  -5.714  1.00  0.00           H  
ATOM     52  HB  THR A   4      -6.890  -2.770  -4.865  1.00  0.00           H  
ATOM     53  HG1 THR A   4      -5.299  -2.529  -7.319  1.00  0.00           H  
ATOM     54 HG21 THR A   4      -7.365  -0.383  -5.734  1.00  0.00           H  
ATOM     55 HG22 THR A   4      -6.569  -0.881  -7.246  1.00  0.00           H  
ATOM     56 HG23 THR A   4      -8.052  -1.704  -6.709  1.00  0.00           H  
ATOM     57  N   ARG A   5      -4.627   0.684  -4.315  1.00  0.00           N  
ATOM     58  CA  ARG A   5      -4.831   1.923  -3.583  1.00  0.00           C  
ATOM     59  C   ARG A   5      -5.097   3.075  -4.553  1.00  0.00           C  
ATOM     60  O   ARG A   5      -5.004   2.903  -5.768  1.00  0.00           O  
ATOM     61  CB  ARG A   5      -3.612   2.261  -2.722  1.00  0.00           C  
ATOM     62  CG  ARG A   5      -2.371   2.479  -3.590  1.00  0.00           C  
ATOM     63  CD  ARG A   5      -1.292   3.244  -2.821  1.00  0.00           C  
ATOM     64  NE  ARG A   5      -0.595   4.183  -3.728  1.00  0.00           N  
ATOM     65  CZ  ARG A   5       0.646   4.668  -3.506  1.00  0.00           C  
ATOM     66  NH1 ARG A   5       1.337   4.306  -2.405  1.00  0.00           N  
ATOM     67  NH2 ARG A   5       1.172   5.503  -4.383  1.00  0.00           N  
ATOM     68  H   ARG A   5      -3.875   0.703  -4.975  1.00  0.00           H  
ATOM     69  HA  ARG A   5      -5.699   1.733  -2.952  1.00  0.00           H  
ATOM     70  HB2 ARG A   5      -3.814   3.159  -2.137  1.00  0.00           H  
ATOM     71  HB3 ARG A   5      -3.428   1.454  -2.014  1.00  0.00           H  
ATOM     72  HG2 ARG A   5      -1.978   1.516  -3.916  1.00  0.00           H  
ATOM     73  HG3 ARG A   5      -2.644   3.033  -4.489  1.00  0.00           H  
ATOM     74  HD2 ARG A   5      -1.742   3.791  -1.993  1.00  0.00           H  
ATOM     75  HD3 ARG A   5      -0.577   2.544  -2.389  1.00  0.00           H  
ATOM     76  HE  ARG A   5      -1.072   4.477  -4.556  1.00  0.00           H  
ATOM     77 HH11 ARG A   5       0.930   3.673  -1.745  1.00  0.00           H  
ATOM     78 HH12 ARG A   5       2.255   4.670  -2.248  1.00  0.00           H  
ATOM     79 HH21 ARG A   5       2.083   5.906  -4.294  1.00  0.00           H  
ATOM     80  N   TYR A   6      -5.424   4.225  -3.981  1.00  0.00           N  
ATOM     81  CA  TYR A   6      -5.706   5.405  -4.780  1.00  0.00           C  
ATOM     82  C   TYR A   6      -4.929   6.617  -4.262  1.00  0.00           C  
ATOM     83  O   TYR A   6      -5.411   7.343  -3.394  1.00  0.00           O  
ATOM     84  CB  TYR A   6      -7.205   5.671  -4.626  1.00  0.00           C  
ATOM     85  CG  TYR A   6      -8.056   5.117  -5.770  1.00  0.00           C  
ATOM     86  CD1 TYR A   6      -7.931   5.643  -7.040  1.00  0.00           C  
ATOM     87  CD2 TYR A   6      -8.949   4.092  -5.532  1.00  0.00           C  
ATOM     88  CE1 TYR A   6      -8.733   5.122  -8.117  1.00  0.00           C  
ATOM     89  CE2 TYR A   6      -9.751   3.571  -6.609  1.00  0.00           C  
ATOM     90  CZ  TYR A   6      -9.603   4.112  -7.848  1.00  0.00           C  
ATOM     91  OH  TYR A   6     -10.360   3.620  -8.865  1.00  0.00           O  
ATOM     92  H   TYR A   6      -5.497   4.356  -2.993  1.00  0.00           H  
ATOM     93  HA  TYR A   6      -5.400   5.198  -5.806  1.00  0.00           H  
ATOM     94  HB2 TYR A   6      -7.546   5.233  -3.688  1.00  0.00           H  
ATOM     95  HB3 TYR A   6      -7.367   6.746  -4.553  1.00  0.00           H  
ATOM     96  HD1 TYR A   6      -7.226   6.453  -7.228  1.00  0.00           H  
ATOM     97  HD2 TYR A   6      -9.048   3.677  -4.529  1.00  0.00           H  
ATOM     98  HE1 TYR A   6      -8.644   5.528  -9.124  1.00  0.00           H  
ATOM     99  HE2 TYR A   6     -10.460   2.762  -6.435  1.00  0.00           H  
ATOM    100  HH  TYR A   6     -11.199   3.216  -8.502  1.00  0.00           H  
ATOM    101  N   VAL A   7      -3.739   6.798  -4.816  1.00  0.00           N  
ATOM    102  CA  VAL A   7      -2.890   7.908  -4.419  1.00  0.00           C  
ATOM    103  C   VAL A   7      -3.362   9.182  -5.124  1.00  0.00           C  
ATOM    104  O   VAL A   7      -3.945   9.118  -6.205  1.00  0.00           O  
ATOM    105  CB  VAL A   7      -1.425   7.575  -4.705  1.00  0.00           C  
ATOM    106  CG1 VAL A   7      -1.064   7.889  -6.158  1.00  0.00           C  
ATOM    107  CG2 VAL A   7      -0.496   8.312  -3.738  1.00  0.00           C  
ATOM    108  H   VAL A   7      -3.355   6.203  -5.522  1.00  0.00           H  
ATOM    109  HA  VAL A   7      -3.003   8.040  -3.343  1.00  0.00           H  
ATOM    110  HB  VAL A   7      -1.288   6.504  -4.550  1.00  0.00           H  
ATOM    111 HG11 VAL A   7      -1.977   8.021  -6.739  1.00  0.00           H  
ATOM    112 HG12 VAL A   7      -0.474   8.805  -6.196  1.00  0.00           H  
ATOM    113 HG13 VAL A   7      -0.484   7.066  -6.575  1.00  0.00           H  
ATOM    114 HG21 VAL A   7      -0.917   9.289  -3.504  1.00  0.00           H  
ATOM    115 HG22 VAL A   7      -0.392   7.731  -2.821  1.00  0.00           H  
ATOM    116 HG23 VAL A   7       0.483   8.439  -4.200  1.00  0.00           H  
ATOM    117  N   GLU A   8      -3.091  10.310  -4.483  1.00  0.00           N  
ATOM    118  CA  GLU A   8      -3.481  11.596  -5.034  1.00  0.00           C  
ATOM    119  C   GLU A   8      -2.484  12.037  -6.108  1.00  0.00           C  
ATOM    120  O   GLU A   8      -1.312  12.269  -5.815  1.00  0.00           O  
ATOM    121  CB  GLU A   8      -3.602  12.651  -3.932  1.00  0.00           C  
ATOM    122  CG  GLU A   8      -2.239  12.946  -3.303  1.00  0.00           C  
ATOM    123  CD  GLU A   8      -2.392  13.386  -1.845  1.00  0.00           C  
ATOM    124  OE1 GLU A   8      -2.023  12.637  -0.929  1.00  0.00           O  
ATOM    125  OE2 GLU A   8      -2.916  14.553  -1.681  1.00  0.00           O  
ATOM    126  H   GLU A   8      -2.615  10.353  -3.604  1.00  0.00           H  
ATOM    127  HA  GLU A   8      -4.461  11.434  -5.483  1.00  0.00           H  
ATOM    128  HB2 GLU A   8      -4.022  13.568  -4.346  1.00  0.00           H  
ATOM    129  HB3 GLU A   8      -4.294  12.302  -3.165  1.00  0.00           H  
ATOM    130  HG2 GLU A   8      -1.611  12.056  -3.354  1.00  0.00           H  
ATOM    131  HG3 GLU A   8      -1.734  13.726  -3.871  1.00  0.00           H  
ATOM    132  HE2 GLU A   8      -2.297  15.134  -1.152  1.00  0.00           H  
ATOM    133  N   VAL A   9      -2.987  12.141  -7.330  1.00  0.00           N  
ATOM    134  CA  VAL A   9      -2.155  12.550  -8.449  1.00  0.00           C  
ATOM    135  C   VAL A   9      -2.963  13.465  -9.371  1.00  0.00           C  
ATOM    136  O   VAL A   9      -4.187  13.530  -9.270  1.00  0.00           O  
ATOM    137  CB  VAL A   9      -1.600  11.318  -9.166  1.00  0.00           C  
ATOM    138  CG1 VAL A   9      -1.395  10.159  -8.187  1.00  0.00           C  
ATOM    139  CG2 VAL A   9      -2.509  10.902 -10.325  1.00  0.00           C  
ATOM    140  H   VAL A   9      -3.941  11.951  -7.560  1.00  0.00           H  
ATOM    141  HA  VAL A   9      -1.314  13.113  -8.045  1.00  0.00           H  
ATOM    142  HB  VAL A   9      -0.627  11.581  -9.581  1.00  0.00           H  
ATOM    143 HG11 VAL A   9      -2.334   9.943  -7.679  1.00  0.00           H  
ATOM    144 HG12 VAL A   9      -1.066   9.276  -8.734  1.00  0.00           H  
ATOM    145 HG13 VAL A   9      -0.638  10.434  -7.453  1.00  0.00           H  
ATOM    146 HG21 VAL A   9      -3.532  10.797  -9.964  1.00  0.00           H  
ATOM    147 HG22 VAL A   9      -2.475  11.664 -11.104  1.00  0.00           H  
ATOM    148 HG23 VAL A   9      -2.167   9.951 -10.732  1.00  0.00           H  
HETATM  149  N   DPR A  10      -2.226  14.168 -10.272  1.00  0.00           N  
HETATM  150  CA  DPR A  10      -2.861  15.077 -11.211  1.00  0.00           C  
HETATM  151  CB  DPR A  10      -1.738  15.970 -11.715  1.00  0.00           C  
HETATM  152  CG  DPR A  10      -0.446  15.234 -11.396  1.00  0.00           C  
HETATM  153  CD  DPR A  10      -0.774  14.117 -10.420  1.00  0.00           C  
HETATM  154  C   DPR A  10      -3.956  15.885 -10.512  1.00  0.00           C  
HETATM  155  O   DPR A  10      -4.978  16.204 -11.118  1.00  0.00           O  
HETATM  156  HA  DPR A  10      -3.318  14.574 -11.943  1.00  0.00           H  
HETATM  157  HB2 DPR A  10      -1.832  16.149 -12.786  1.00  0.00           H  
HETATM  158  HB3 DPR A  10      -1.764  16.944 -11.225  1.00  0.00           H  
HETATM  159  HG2 DPR A  10      -0.004  14.829 -12.307  1.00  0.00           H  
HETATM  160  HG3 DPR A  10       0.285  15.917 -10.965  1.00  0.00           H  
HETATM  161  HD2 DPR A  10      -0.450  13.149 -10.801  1.00  0.00           H  
HETATM  162  HD3 DPR A  10      -0.273  14.267  -9.463  1.00  0.00           H  
ATOM    163  N   GLY A  11      -3.707  16.191  -9.248  1.00  0.00           N  
ATOM    164  CA  GLY A  11      -4.660  16.955  -8.461  1.00  0.00           C  
ATOM    165  C   GLY A  11      -6.014  16.245  -8.398  1.00  0.00           C  
ATOM    166  O   GLY A  11      -7.059  16.882  -8.516  1.00  0.00           O  
ATOM    167  H   GLY A  11      -2.873  15.928  -8.762  1.00  0.00           H  
ATOM    168  HA2 GLY A  11      -4.273  17.097  -7.452  1.00  0.00           H  
ATOM    169  HA3 GLY A  11      -4.786  17.946  -8.897  1.00  0.00           H  
ATOM    170  N   LYS A  12      -5.950  14.934  -8.213  1.00  0.00           N  
ATOM    171  CA  LYS A  12      -7.158  14.130  -8.134  1.00  0.00           C  
ATOM    172  C   LYS A  12      -6.837  12.803  -7.444  1.00  0.00           C  
ATOM    173  O   LYS A  12      -6.909  12.703  -6.220  1.00  0.00           O  
ATOM    174  CB  LYS A  12      -7.784  13.966  -9.521  1.00  0.00           C  
ATOM    175  CG  LYS A  12      -8.804  15.072  -9.796  1.00  0.00           C  
ATOM    176  CD  LYS A  12      -9.938  14.563 -10.688  1.00  0.00           C  
ATOM    177  CE  LYS A  12      -9.979  15.327 -12.012  1.00  0.00           C  
ATOM    178  NZ  LYS A  12     -10.717  14.552 -13.035  1.00  0.00           N  
ATOM    179  H   LYS A  12      -5.095  14.424  -8.118  1.00  0.00           H  
ATOM    180  HA  LYS A  12      -7.874  14.676  -7.520  1.00  0.00           H  
ATOM    181  HB2 LYS A  12      -7.004  13.989 -10.282  1.00  0.00           H  
ATOM    182  HB3 LYS A  12      -8.269  12.993  -9.592  1.00  0.00           H  
ATOM    183  HG2 LYS A  12      -9.214  15.437  -8.853  1.00  0.00           H  
ATOM    184  HG3 LYS A  12      -8.310  15.917 -10.276  1.00  0.00           H  
ATOM    185  HD2 LYS A  12      -9.803  13.499 -10.881  1.00  0.00           H  
ATOM    186  HD3 LYS A  12     -10.891  14.674 -10.170  1.00  0.00           H  
ATOM    187  HE2 LYS A  12     -10.458  16.296 -11.866  1.00  0.00           H  
ATOM    188  HE3 LYS A  12      -8.964  15.523 -12.358  1.00  0.00           H  
ATOM    189  HZ1 LYS A  12     -11.687  14.840 -13.103  1.00  0.00           H  
ATOM    190  HZ2 LYS A  12     -10.313  14.662 -13.959  1.00  0.00           H  
ATOM    191  N   LYS A  13      -6.490  11.817  -8.258  1.00  0.00           N  
ATOM    192  CA  LYS A  13      -6.159  10.501  -7.740  1.00  0.00           C  
ATOM    193  C   LYS A  13      -5.805   9.574  -8.905  1.00  0.00           C  
ATOM    194  O   LYS A  13      -5.784  10.001 -10.059  1.00  0.00           O  
ATOM    195  CB  LYS A  13      -7.289   9.972  -6.856  1.00  0.00           C  
ATOM    196  CG  LYS A  13      -8.630  10.019  -7.592  1.00  0.00           C  
ATOM    197  CD  LYS A  13      -9.539   8.872  -7.149  1.00  0.00           C  
ATOM    198  CE  LYS A  13     -10.979   9.354  -6.963  1.00  0.00           C  
ATOM    199  NZ  LYS A  13     -11.909   8.535  -7.772  1.00  0.00           N  
ATOM    200  H   LYS A  13      -6.434  11.907  -9.252  1.00  0.00           H  
ATOM    201  HA  LYS A  13      -5.278  10.611  -7.107  1.00  0.00           H  
ATOM    202  HB2 LYS A  13      -7.072   8.948  -6.554  1.00  0.00           H  
ATOM    203  HB3 LYS A  13      -7.350  10.566  -5.944  1.00  0.00           H  
ATOM    204  HG2 LYS A  13      -9.121  10.973  -7.400  1.00  0.00           H  
ATOM    205  HG3 LYS A  13      -8.460   9.959  -8.667  1.00  0.00           H  
ATOM    206  HD2 LYS A  13      -9.512   8.074  -7.891  1.00  0.00           H  
ATOM    207  HD3 LYS A  13      -9.170   8.450  -6.214  1.00  0.00           H  
ATOM    208  HE2 LYS A  13     -11.256   9.296  -5.911  1.00  0.00           H  
ATOM    209  HE3 LYS A  13     -11.059  10.401  -7.256  1.00  0.00           H  
ATOM    210  HZ1 LYS A  13     -11.926   7.567  -7.468  1.00  0.00           H  
ATOM    211  HZ2 LYS A  13     -12.862   8.876  -7.718  1.00  0.00           H  
ATOM    212  N   ILE A  14      -5.535   8.323  -8.563  1.00  0.00           N  
ATOM    213  CA  ILE A  14      -5.183   7.332  -9.566  1.00  0.00           C  
ATOM    214  C   ILE A  14      -5.016   5.968  -8.893  1.00  0.00           C  
ATOM    215  O   ILE A  14      -4.599   5.888  -7.739  1.00  0.00           O  
ATOM    216  CB  ILE A  14      -3.952   7.783 -10.355  1.00  0.00           C  
ATOM    217  CG1 ILE A  14      -4.052   7.353 -11.820  1.00  0.00           C  
ATOM    218  CG2 ILE A  14      -2.665   7.281  -9.697  1.00  0.00           C  
ATOM    219  CD1 ILE A  14      -3.763   8.528 -12.757  1.00  0.00           C  
ATOM    220  H   ILE A  14      -5.555   7.983  -7.623  1.00  0.00           H  
ATOM    221  HA  ILE A  14      -6.012   7.271 -10.270  1.00  0.00           H  
ATOM    222  HB  ILE A  14      -3.917   8.872 -10.340  1.00  0.00           H  
ATOM    223 HG12 ILE A  14      -3.346   6.546 -12.015  1.00  0.00           H  
ATOM    224 HG13 ILE A  14      -5.049   6.961 -12.020  1.00  0.00           H  
ATOM    225 HG21 ILE A  14      -2.465   6.260 -10.022  1.00  0.00           H  
ATOM    226 HG22 ILE A  14      -1.834   7.924  -9.987  1.00  0.00           H  
ATOM    227 HG23 ILE A  14      -2.779   7.301  -8.613  1.00  0.00           H  
ATOM    228 HD11 ILE A  14      -3.525   8.150 -13.751  1.00  0.00           H  
ATOM    229 HD12 ILE A  14      -4.640   9.172 -12.813  1.00  0.00           H  
ATOM    230 HD13 ILE A  14      -2.917   9.099 -12.373  1.00  0.00           H  
ATOM    231  N   LEU A  15      -5.351   4.929  -9.644  1.00  0.00           N  
ATOM    232  CA  LEU A  15      -5.242   3.572  -9.134  1.00  0.00           C  
ATOM    233  C   LEU A  15      -3.858   3.015  -9.471  1.00  0.00           C  
ATOM    234  O   LEU A  15      -3.294   3.334 -10.517  1.00  0.00           O  
ATOM    235  CB  LEU A  15      -6.395   2.711  -9.655  1.00  0.00           C  
ATOM    236  CG  LEU A  15      -6.634   1.393  -8.915  1.00  0.00           C  
ATOM    237  CD1 LEU A  15      -7.158   1.645  -7.500  1.00  0.00           C  
ATOM    238  CD2 LEU A  15      -7.562   0.476  -9.715  1.00  0.00           C  
ATOM    239  H   LEU A  15      -5.690   5.002 -10.581  1.00  0.00           H  
ATOM    240  HA  LEU A  15      -5.341   3.621  -8.050  1.00  0.00           H  
ATOM    241  HB2 LEU A  15      -7.311   3.300  -9.612  1.00  0.00           H  
ATOM    242  HB3 LEU A  15      -6.209   2.487 -10.705  1.00  0.00           H  
ATOM    243  HG  LEU A  15      -5.679   0.878  -8.818  1.00  0.00           H  
ATOM    244 HD11 LEU A  15      -6.358   1.472  -6.780  1.00  0.00           H  
ATOM    245 HD12 LEU A  15      -7.502   2.676  -7.419  1.00  0.00           H  
ATOM    246 HD13 LEU A  15      -7.986   0.968  -7.293  1.00  0.00           H  
ATOM    247 HD21 LEU A  15      -8.590   0.620  -9.382  1.00  0.00           H  
ATOM    248 HD22 LEU A  15      -7.486   0.717 -10.775  1.00  0.00           H  
ATOM    249 HD23 LEU A  15      -7.271  -0.562  -9.557  1.00  0.00           H  
ATOM    250  N   GLN A  16      -3.350   2.193  -8.565  1.00  0.00           N  
ATOM    251  CA  GLN A  16      -2.042   1.588  -8.753  1.00  0.00           C  
ATOM    252  C   GLN A  16      -2.126   0.072  -8.561  1.00  0.00           C  
ATOM    253  O   GLN A  16      -3.019  -0.422  -7.874  1.00  0.00           O  
ATOM    254  CB  GLN A  16      -1.011   2.204  -7.805  1.00  0.00           C  
ATOM    255  CG  GLN A  16      -0.070   3.147  -8.557  1.00  0.00           C  
ATOM    256  CD  GLN A  16       1.132   2.386  -9.123  1.00  0.00           C  
ATOM    257  OE1 GLN A  16       2.142   2.193  -8.466  1.00  0.00           O  
ATOM    258  NE2 GLN A  16       0.967   1.967 -10.374  1.00  0.00           N  
ATOM    259  H   GLN A  16      -3.814   1.939  -7.717  1.00  0.00           H  
ATOM    260  HA  GLN A  16      -1.763   1.815  -9.782  1.00  0.00           H  
ATOM    261  HB2 GLN A  16      -1.522   2.750  -7.012  1.00  0.00           H  
ATOM    262  HB3 GLN A  16      -0.433   1.413  -7.326  1.00  0.00           H  
ATOM    263  HG2 GLN A  16      -0.610   3.635  -9.369  1.00  0.00           H  
ATOM    264  HG3 GLN A  16       0.276   3.933  -7.886  1.00  0.00           H  
ATOM    265 HE21 GLN A  16       0.112   2.159 -10.857  1.00  0.00           H  
ATOM    266 HE22 GLN A  16       1.697   1.460 -10.832  1.00  0.00           H  
ATOM    267  N   THR A  17      -1.184  -0.624  -9.181  1.00  0.00           N  
ATOM    268  CA  THR A  17      -1.140  -2.073  -9.087  1.00  0.00           C  
ATOM    269  C   THR A  17       0.288  -2.578  -9.296  1.00  0.00           C  
ATOM    270  O   THR A  17       0.498  -3.623  -9.912  1.00  0.00           O  
ATOM    271  CB  THR A  17      -2.140  -2.643 -10.095  1.00  0.00           C  
ATOM    272  OG1 THR A  17      -2.169  -4.038  -9.805  1.00  0.00           O  
ATOM    273  CG2 THR A  17      -1.626  -2.572 -11.534  1.00  0.00           C  
ATOM    274  H   THR A  17      -0.462  -0.215  -9.738  1.00  0.00           H  
ATOM    275  HA  THR A  17      -1.437  -2.361  -8.078  1.00  0.00           H  
ATOM    276  HB  THR A  17      -3.109  -2.151 -10.003  1.00  0.00           H  
ATOM    277  HG1 THR A  17      -1.250  -4.424  -9.890  1.00  0.00           H  
ATOM    278 HG21 THR A  17      -1.740  -3.546 -12.009  1.00  0.00           H  
ATOM    279 HG22 THR A  17      -2.198  -1.827 -12.088  1.00  0.00           H  
ATOM    280 HG23 THR A  17      -0.573  -2.291 -11.530  1.00  0.00           H  
ATOM    281  N   THR A  18       1.235  -1.814  -8.772  1.00  0.00           N  
ATOM    282  CA  THR A  18       2.638  -2.170  -8.895  1.00  0.00           C  
ATOM    283  C   THR A  18       3.083  -3.005  -7.692  1.00  0.00           C  
ATOM    284  O   THR A  18       2.478  -2.933  -6.624  1.00  0.00           O  
ATOM    285  CB  THR A  18       3.441  -0.879  -9.069  1.00  0.00           C  
ATOM    286  OG1 THR A  18       3.024  -0.380 -10.337  1.00  0.00           O  
ATOM    287  CG2 THR A  18       4.938  -1.140  -9.245  1.00  0.00           C  
ATOM    288  H   THR A  18       1.057  -0.966  -8.273  1.00  0.00           H  
ATOM    289  HA  THR A  18       2.758  -2.795  -9.779  1.00  0.00           H  
ATOM    290  HB  THR A  18       3.260  -0.194  -8.241  1.00  0.00           H  
ATOM    291  HG1 THR A  18       3.070  -1.106 -11.022  1.00  0.00           H  
ATOM    292 HG21 THR A  18       5.323  -1.659  -8.367  1.00  0.00           H  
ATOM    293 HG22 THR A  18       5.098  -1.756 -10.130  1.00  0.00           H  
ATOM    294 HG23 THR A  18       5.461  -0.191  -9.364  1.00  0.00           H  
ATOM    295  N   THR A  19       4.138  -3.778  -7.906  1.00  0.00           N  
ATOM    296  CA  THR A  19       4.671  -4.625  -6.853  1.00  0.00           C  
ATOM    297  C   THR A  19       6.200  -4.640  -6.903  1.00  0.00           C  
ATOM    298  O   THR A  19       6.797  -4.180  -7.875  1.00  0.00           O  
ATOM    299  CB  THR A  19       4.044  -6.013  -7.001  1.00  0.00           C  
ATOM    300  OG1 THR A  19       4.374  -6.403  -8.332  1.00  0.00           O  
ATOM    301  CG2 THR A  19       2.515  -5.969  -6.994  1.00  0.00           C  
ATOM    302  H   THR A  19       4.625  -3.830  -8.778  1.00  0.00           H  
ATOM    303  HA  THR A  19       4.386  -4.199  -5.892  1.00  0.00           H  
ATOM    304  HB  THR A  19       4.418  -6.693  -6.236  1.00  0.00           H  
ATOM    305  HG1 THR A  19       5.352  -6.274  -8.494  1.00  0.00           H  
ATOM    306 HG21 THR A  19       2.179  -5.107  -6.418  1.00  0.00           H  
ATOM    307 HG22 THR A  19       2.149  -5.888  -8.017  1.00  0.00           H  
ATOM    308 HG23 THR A  19       2.128  -6.882  -6.541  1.00  0.00           H  
ATOM    309  N   THR A  20       6.789  -5.175  -5.844  1.00  0.00           N  
ATOM    310  CA  THR A  20       8.237  -5.255  -5.754  1.00  0.00           C  
ATOM    311  C   THR A  20       8.671  -6.675  -5.384  1.00  0.00           C  
ATOM    312  O   THR A  20       7.832  -7.558  -5.208  1.00  0.00           O  
ATOM    313  CB  THR A  20       8.709  -4.196  -4.756  1.00  0.00           C  
ATOM    314  OG1 THR A  20       7.930  -4.448  -3.589  1.00  0.00           O  
ATOM    315  CG2 THR A  20       8.309  -2.779  -5.172  1.00  0.00           C  
ATOM    316  H   THR A  20       6.296  -5.548  -5.058  1.00  0.00           H  
ATOM    317  HA  THR A  20       8.655  -5.040  -6.738  1.00  0.00           H  
ATOM    318  HB  THR A  20       9.785  -4.266  -4.594  1.00  0.00           H  
ATOM    319  HG1 THR A  20       8.066  -5.390  -3.284  1.00  0.00           H  
ATOM    320 HG21 THR A  20       8.987  -2.060  -4.712  1.00  0.00           H  
ATOM    321 HG22 THR A  20       8.366  -2.690  -6.257  1.00  0.00           H  
ATOM    322 HG23 THR A  20       7.289  -2.579  -4.845  1.00  0.00           H  
TER     323      THR A  20                                                      
CONECT  135  149                                                                
CONECT  149  135  150  153                                                      
CONECT  150  149  151  154  156                                                 
CONECT  151  150  152  157  158                                                 
CONECT  152  151  153  159  160                                                 
CONECT  153  149  152  161  162                                                 
CONECT  154  150  155  163                                                      
CONECT  155  154                                                                
CONECT  156  150                                                                
CONECT  157  151                                                                
CONECT  158  151                                                                
CONECT  159  152                                                                
CONECT  160  152                                                                
CONECT  161  153                                                                
CONECT  162  153                                                                
CONECT  163  154                                                                
MASTER      110    0    1    0    2    0    0    6  156    1   16    2          
END