*HEADER    NEUROPEPTIDE                            27-JUL-12   2LWC              
*TITLE     MET-ENKEPHALIN IN DPMC SUV                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MET-ENKEPHALIN;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    SUV DMPC, NEUROPEPTIDE                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.MOURET                                                              
*REVDAT   1   07-AUG-13 2LWC    0                                                


 assi 
   (( segid "   A" and resid 1    and name  HA  ))
   (  segid "   A" and resid 1    and name  HD# )
      2.700     0.900     0.900

 assi 
   (( segid "   A" and resid 1    and name  HA  ))
   (  segid "   A" and resid 1    and name  HE# )
      3.700     1.900     1.900

 assi 
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 2    and name  HN  ))
      2.600     0.800     0.800

 assi 
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 3    and name  HN  ))
      3.150     1.350     1.350

 assi 
   (( segid "   A" and resid 1    and name  HA  ))
   (  segid "   A" and resid 4    and name  HD# )
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 1    and name  HB# )
   (( segid "   A" and resid 2    and name  HN  ))
      2.700     0.900     0.900

 assi 
   (  segid "   A" and resid 1    and name  HB# )
   (( segid "   A" and resid 3    and name  HN  ))
      2.900     1.100     1.100

 assi 
   (  segid "   A" and resid 1    and name  HB# )
   (( segid "   A" and resid 4    and name  HZ  ))
      3.400     1.600     1.600

 assi 
   (  segid "   A" and resid 1    and name  HD# )
   (( segid "   A" and resid 2    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 1    and name  HD# )
   (  segid "   A" and resid 2    and name  HA2 )
      4.900     3.100     3.100

 assi 
   (  segid "   A" and resid 1    and name  HD# )
   (( segid "   A" and resid 3    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 1    and name  HE# )
   (( segid "   A" and resid 2    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 1    and name  HE# )
   (( segid "   A" and resid 3    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 1    and name  HE# )
   (  segid "   A" and resid 3    and name  HA1 )
      4.900     3.100     3.100

 assi 
   (  segid "   A" and resid 1    and name  HE# )
   (( segid "   A" and resid 4    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (( segid "   A" and resid 2    and name  HN  ))
   (  segid "   A" and resid 2    and name  HA2 )
      2.200     0.400     0.400

 assi 
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 3    and name  HN  ))
      2.650     0.850     0.850

 assi 
   (( segid "   A" and resid 2    and name  HN  ))
   (  segid "   A" and resid 3    and name  HA1 )
      3.500     1.700     1.700

 assi 
   (( segid "   A" and resid 2    and name  HN  ))
   (  segid "   A" and resid 4    and name  HE# )
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 2    and name  HA2 )
   (( segid "   A" and resid 3    and name  HN  ))
      2.500     0.700     0.700

 assi 
   (  segid "   A" and resid 2    and name  HA2 )
   (( segid "   A" and resid 4    and name  HN  ))
      3.300     1.500     1.500

 assi 
   (  segid "   A" and resid 2    and name  HA2 )
   (  segid "   A" and resid 4    and name  HE# )
      4.900     3.100     3.100

 assi 
   (  segid "   A" and resid 2    and name  HA2 )
   (( segid "   A" and resid 5    and name  HN  ))
      3.800     2.000     2.000

 assi 
   (( segid "   A" and resid 3    and name  HN  ))
   (  segid "   A" and resid 4    and name  HD# )
      4.400     2.600     2.600

 assi 
   (( segid "   A" and resid 3    and name  HN  ))
   (  segid "   A" and resid 4    and name  HE# )
      4.400     2.600     2.600

 assi 
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 4    and name  HZ  ))
      3.400     1.600     1.600

 assi 
   (( segid "   A" and resid 3    and name  HN  ))
   (  segid "   A" and resid 5    and name  HG# )
      3.840     2.040     2.040

 assi 
   (  segid "   A" and resid 3    and name  HA1 )
   (( segid "   A" and resid 4    and name  HN  ))
      2.500     0.700     0.700

 assi 
   (  segid "   A" and resid 3    and name  HA1 )
   (  segid "   A" and resid 4    and name  HD# )
      4.900     3.100     3.100

 assi 
   (  segid "   A" and resid 3    and name  HA1 )
   (( segid "   A" and resid 5    and name  HN  ))
      3.550     1.750     1.750

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HA  ))
      2.350     0.550     0.550

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB2 ))
      2.850     1.050     1.050

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HB1 ))
      2.850     1.050     1.050

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 4    and name  HD# )
      3.100     1.300     1.300

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 4    and name  HE# )
      3.900     2.100     2.100

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 4    and name  HZ  ))
      3.300     1.500     1.500

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.800     1.000     1.000

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 5    and name  HB# )
      3.900     2.100     2.100

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      3.400     1.600     1.600

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG1 ))
      3.400     1.600     1.600

 assi 
   (( segid "   A" and resid 4    and name  HN  ))
   (  segid "   A" and resid 5    and name  HG# )
      3.260     1.460     1.460

 assi 
   (( segid "   A" and resid 4    and name  HA  ))
   (  segid "   A" and resid 4    and name  HE# )
      3.850     2.050     2.050

 assi 
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.700     0.900     0.900

 assi 
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.150     1.350     1.350

 assi 
   (( segid "   A" and resid 4    and name  HB1 ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.150     1.350     1.350

 assi 
   (  segid "   A" and resid 4    and name  HB# )
   (( segid "   A" and resid 5    and name  HN  ))
      3.055     1.255     1.255

 assi 
   (  segid "   A" and resid 4    and name  HD# )
   (( segid "   A" and resid 5    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HD# )
   (( segid "   A" and resid 5    and name  HA  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HD# )
   (  segid "   A" and resid 5    and name  HB# )
      4.900     3.100     3.100

 assi 
   (  segid "   A" and resid 4    and name  HD# )
   (( segid "   A" and resid 5    and name  HG2 ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HD# )
   (( segid "   A" and resid 5    and name  HG1 ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HD# )
   (  segid "   A" and resid 5    and name  HG# )
      4.225     2.425     2.425

 assi 
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 5    and name  HN  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 5    and name  HA  ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 5    and name  HG2 ))
      4.400     2.600     2.600

 assi 
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 5    and name  HG1 ))
      4.400     2.600     2.600

 assi 
   (( segid "   A" and resid 4    and name  HZ  ))
   (( segid "   A" and resid 5    and name  HN  ))
      3.400     1.600     1.600

 assi 
   (( segid "   A" and resid 4    and name  HZ  ))
   (  segid "   A" and resid 5    and name  HB# )
      3.900     2.100     2.100

 assi 
   (( segid "   A" and resid 4    and name  HZ  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      3.400     1.600     1.600

 assi 
   (( segid "   A" and resid 4    and name  HZ  ))
   (( segid "   A" and resid 5    and name  HG1 ))
      3.400     1.600     1.600

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HA  ))
      2.300     0.500     0.500

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (  segid "   A" and resid 5    and name  HB# )
      2.800     1.000     1.000

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG2 ))
      3.150     1.350     1.350

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (( segid "   A" and resid 5    and name  HG1 ))
      3.150     1.350     1.350

 assi 
   (( segid "   A" and resid 5    and name  HN  ))
   (  segid "   A" and resid 5    and name  HG# )
      2.780     0.980     0.980

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -120.00 50.00 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -120.00 50.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H3       TYR   1  -5.140  -5.523   1.554
    2    HA   TYR   1           HA       TYR   1  -5.474  -5.117  -0.696
    3    HB2  TYR   1           HB2      TYR   1  -6.447  -3.467   0.946
    4    HB3  TYR   1           HB3      TYR   1  -5.079  -2.405   0.609
    5    HD1  TYR   1           HD2      TYR   1  -7.102  -4.597  -1.658
    6    HD2  TYR   1           HD1      TYR   1  -5.894  -0.601  -0.648
    7    HE1  TYR   1           HE2      TYR   1  -8.261  -3.737  -3.673
    8    HE2  TYR   1           HE1      TYR   1  -7.053   0.259  -2.664
    9    HH   TYR   1           H2       TYR   1  -7.952  -0.386  -4.681
   10    H    GLY   2           H        GLY   2  -4.856  -3.556  -2.588
   11    HA2  GLY   2           HA2      GLY   2  -1.880  -3.512  -2.758
   12    HA3  GLY   2           HA3      GLY   2  -2.974  -3.545  -4.142
   13    H    GLY   3           H        GLY   3  -3.237  -1.438  -1.303
   14    HA2  GLY   3           HA2      GLY   3  -3.063   0.890  -3.157
   15    HA3  GLY   3           HA3      GLY   3  -3.853   0.911  -1.579
   16    H    PHE   4           H        PHE   4  -1.502  -0.645  -0.450
   17    HA   PHE   4           HA       PHE   4   0.377   1.671  -0.245
   18    HB2  PHE   4           HB2      PHE   4   0.777   0.673   2.066
   19    HB3  PHE   4           HB3      PHE   4  -0.841   1.325   1.803
   20    HD1  PHE   4           HD1      PHE   4   1.170  -1.780   1.996
   21    HD2  PHE   4           HD2      PHE   4  -2.777  -0.108   1.706
   22    HE1  PHE   4           HE1      PHE   4   0.191  -4.005   2.493
   23    HE2  PHE   4           HE2      PHE   4  -3.756  -2.332   2.203
   24    HZ   PHE   4           HZ       PHE   4  -2.271  -4.280   2.596
   25    H    MET   5           H        MET   5   0.041  -1.789  -0.710
   26    HA   MET   5           HA       MET   5   2.637  -2.744  -0.251
   27    HB2  MET   5           HB2      MET   5   0.463  -3.354  -2.250
   28    HB3  MET   5           HB3      MET   5   1.973  -4.267  -2.268
   29    HG2  MET   5           HG2      MET   5   1.493  -4.456   0.338
   30    HG3  MET   5           HG3      MET   5  -0.171  -4.193  -0.182
   31    HE1  MET   5           HE1      MET   5  -1.556  -5.940  -0.260
   32    HE2  MET   5           HE2      MET   5  -0.569  -6.725   0.969
   33    HE3  MET   5           HE3      MET   5  -1.158  -7.657  -0.404
  Start of MODEL    2
    1    H1   TYR   1           H3       TYR   1  -5.844  -5.773   0.945
    2    HA   TYR   1           HA       TYR   1  -5.895  -4.980  -1.164
    3    HB2  TYR   1           HB2      TYR   1  -7.001  -3.381   0.410
    4    HB3  TYR   1           HB3      TYR   1  -5.499  -2.456   0.477
    5    HD1  TYR   1           HD2      TYR   1  -7.700  -3.995  -2.153
    6    HD2  TYR   1           HD1      TYR   1  -5.379  -0.601  -0.914
    7    HE1  TYR   1           HE2      TYR   1  -8.340  -2.800  -4.230
    8    HE2  TYR   1           HE1      TYR   1  -6.018   0.595  -2.990
    9    HH   TYR   1           H2       TYR   1  -8.532  -0.279  -4.914
   10    H    GLY   2           H        GLY   2  -4.847  -3.420  -2.820
   11    HA2  GLY   2           HA2      GLY   2  -1.885  -3.517  -2.442
   12    HA3  GLY   2           HA3      GLY   2  -2.693  -3.569  -4.010
   13    H    GLY   3           H        GLY   3  -3.492  -1.373  -1.350
   14    HA2  GLY   3           HA2      GLY   3  -3.004   0.898  -3.196
   15    HA3  GLY   3           HA3      GLY   3  -3.916   0.977  -1.686
   16    H    PHE   4           H        PHE   4  -1.414  -0.760  -0.714
   17    HA   PHE   4           HA       PHE   4   0.314   1.619  -0.171
   18    HB2  PHE   4           HB2      PHE   4   0.693   0.403   2.051
   19    HB3  PHE   4           HB3      PHE   4  -0.923   1.070   1.808
   20    HD1  PHE   4           HD2      PHE   4  -2.821  -0.402   1.212
   21    HD2  PHE   4           HD1      PHE   4   1.078  -1.984   2.076
   22    HE1  PHE   4           HE2      PHE   4  -3.798  -2.666   1.475
   23    HE2  PHE   4           HE1      PHE   4   0.101  -4.248   2.339
   24    HZ   PHE   4           HZ       PHE   4  -2.337  -4.589   2.037
   25    H    MET   5           H        MET   5   0.134  -1.832  -0.854
   26    HA   MET   5           HA       MET   5   2.781  -2.667  -0.441
   27    HB2  MET   5           HB2      MET   5   0.812  -3.302  -2.661
   28    HB3  MET   5           HB3      MET   5   2.243  -4.268  -2.301
   29    HG2  MET   5           HG2      MET   5   0.057  -3.664  -0.292
   30    HG3  MET   5           HG3      MET   5   0.151  -5.152  -1.233
   31    HE1  MET   5           HE1      MET   5   2.673  -6.861  -0.932
   32    HE2  MET   5           HE2      MET   5   0.932  -6.946  -0.677
   33    HE3  MET   5           HE3      MET   5   2.028  -7.421   0.618
  Start of MODEL    3
    1    H1   TYR   1           H3       TYR   1  -2.417  -5.516   1.173
    2    HA   TYR   1           HA       TYR   1  -4.932  -5.181  -0.373
    3    HB2  TYR   1           HB2      TYR   1  -4.008  -4.100   1.976
    4    HB3  TYR   1           HB3      TYR   1  -3.405  -2.938   0.794
    5    HD1  TYR   1           HD1      TYR   1  -6.495  -4.776   1.822
    6    HD2  TYR   1           HD2      TYR   1  -4.847  -1.337  -0.154
    7    HE1  TYR   1           HE1      TYR   1  -8.769  -3.809   1.609
    8    HE2  TYR   1           HE2      TYR   1  -7.121  -0.370  -0.368
    9    HH   TYR   1           H2       TYR   1  -9.555  -1.016   1.299
   10    H    GLY   2           H        GLY   2  -4.662  -3.373  -2.016
   11    HA2  GLY   2           HA2      GLY   2  -1.940  -3.485  -3.252
   12    HA3  GLY   2           HA3      GLY   2  -3.422  -3.479  -4.207
   13    H    GLY   3           H        GLY   3  -3.048  -1.500  -1.331
   14    HA2  GLY   3           HA2      GLY   3  -3.151   0.906  -3.101
   15    HA3  GLY   3           HA3      GLY   3  -3.798   0.849  -1.461
   16    H    PHE   4           H        PHE   4  -1.560  -0.494  -0.257
   17    HA   PHE   4           HA       PHE   4   0.510   1.653  -0.462
   18    HB2  PHE   4           HB2      PHE   4   0.855   0.998   2.004
   19    HB3  PHE   4           HB3      PHE   4  -0.648   1.838   1.617
   20    HD1  PHE   4           HD1      PHE   4   0.863  -1.458   2.374
   21    HD2  PHE   4           HD2      PHE   4  -2.782   0.725   1.742
   22    HE1  PHE   4           HE1      PHE   4  -0.439  -3.383   3.240
   23    HE2  PHE   4           HE2      PHE   4  -4.084  -1.200   2.608
   24    HZ   PHE   4           HZ       PHE   4  -2.913  -3.254   3.357
   25    H    MET   5           H        MET   5  -0.081  -1.809   0.088
   26    HA   MET   5           HA       MET   5   2.505  -2.774   0.523
   27    HB2  MET   5           HB2      MET   5   0.067  -3.764  -0.932
   28    HB3  MET   5           HB3      MET   5   1.533  -4.746  -0.933
   29    HG2  MET   5           HG2      MET   5   0.866  -3.690   1.718
   30    HG3  MET   5           HG3      MET   5  -0.386  -4.743   1.060
   31    HE1  MET   5           HE1      MET   5   1.133  -7.095   3.407
   32    HE2  MET   5           HE2      MET   5   0.298  -5.546   3.314
   33    HE3  MET   5           HE3      MET   5   2.007  -5.593   3.739
  Start of MODEL    4
    1    H1   TYR   1           H3       TYR   1  -3.002  -5.879   1.188
    2    HA   TYR   1           HA       TYR   1  -5.233  -5.137  -0.592
    3    HB2  TYR   1           HB2      TYR   1  -4.347  -4.393   1.888
    4    HB3  TYR   1           HB3      TYR   1  -3.516  -3.219   0.867
    5    HD1  TYR   1           HD1      TYR   1  -6.864  -4.649   1.666
    6    HD2  TYR   1           HD2      TYR   1  -4.687  -1.420  -0.146
    7    HE1  TYR   1           HE1      TYR   1  -8.973  -3.368   1.414
    8    HE2  TYR   1           HE2      TYR   1  -6.796  -0.140  -0.399
    9    HH   TYR   1           H2       TYR   1  -8.966  -0.044   0.167
   10    H    GLY   2           H        GLY   2  -4.707  -3.324  -2.111
   11    HA2  GLY   2           HA2      GLY   2  -1.890  -3.461  -3.097
   12    HA3  GLY   2           HA3      GLY   2  -3.259  -3.498  -4.209
   13    H    GLY   3           H        GLY   3  -3.026  -1.485  -1.308
   14    HA2  GLY   3           HA2      GLY   3  -3.157   0.903  -3.103
   15    HA3  GLY   3           HA3      GLY   3  -3.847   0.846  -1.480
   16    H    PHE   4           H        PHE   4  -1.454  -0.595  -0.429
   17    HA   PHE   4           HA       PHE   4   0.539   1.627  -0.549
   18    HB2  PHE   4           HB2      PHE   4   0.795   1.095   1.960
   19    HB3  PHE   4           HB3      PHE   4  -0.683   1.925   1.476
   20    HD1  PHE   4           HD2      PHE   4  -2.807   0.625   1.179
   21    HD2  PHE   4           HD1      PHE   4   0.740  -1.128   2.850
   22    HE1  PHE   4           HE2      PHE   4  -4.160  -1.243   2.090
   23    HE2  PHE   4           HE1      PHE   4  -0.613  -2.997   3.761
   24    HZ   PHE   4           HZ       PHE   4  -3.062  -3.053   3.380
   25    H    MET   5           H        MET   5  -0.038  -1.781   0.351
   26    HA   MET   5           HA       MET   5   2.542  -2.699   0.833
   27    HB2  MET   5           HB2      MET   5   0.091  -3.808  -0.494
   28    HB3  MET   5           HB3      MET   5   1.562  -4.782  -0.488
   29    HG2  MET   5           HG2      MET   5   1.054  -3.593   2.122
   30    HG3  MET   5           HG3      MET   5  -0.297  -4.594   1.588
   31    HE1  MET   5           HE1      MET   5   0.651  -8.014   2.177
   32    HE2  MET   5           HE2      MET   5  -0.020  -7.161   0.788
   33    HE3  MET   5           HE3      MET   5  -0.486  -6.681   2.419
  Start of MODEL    5
    1    H1   TYR   1           H3       TYR   1  -4.202  -6.465   1.266
    2    HA   TYR   1           HA       TYR   1  -5.219  -5.094  -0.534
    3    HB2  TYR   1           HB2      TYR   1  -3.899  -4.489   1.885
    4    HB3  TYR   1           HB3      TYR   1  -3.452  -3.199   0.768
    5    HD1  TYR   1           HD1      TYR   1  -5.141  -1.717  -0.199
    6    HD2  TYR   1           HD2      TYR   1  -6.232  -4.856   2.525
    7    HE1  TYR   1           HE1      TYR   1  -7.384  -0.699   0.077
    8    HE2  TYR   1           HE2      TYR   1  -8.475  -3.836   2.800
    9    HH   TYR   1           H2       TYR   1  -9.346  -0.823   1.096
   10    H    GLY   2           H        GLY   2  -4.716  -3.317  -2.064
   11    HA2  GLY   2           HA2      GLY   2  -1.950  -3.487  -3.179
   12    HA3  GLY   2           HA3      GLY   2  -3.367  -3.503  -4.230
   13    H    GLY   3           H        GLY   3  -2.945  -1.512  -1.327
   14    HA2  GLY   3           HA2      GLY   3  -3.119   0.889  -3.106
   15    HA3  GLY   3           HA3      GLY   3  -3.781   0.829  -1.471
   16    H    PHE   4           H        PHE   4  -1.548  -0.488  -0.241
   17    HA   PHE   4           HA       PHE   4   0.483   1.699  -0.391
   18    HB2  PHE   4           HB2      PHE   4   0.852   0.984   2.041
   19    HB3  PHE   4           HB3      PHE   4  -0.701   1.744   1.693
   20    HD1  PHE   4           HD1      PHE   4   1.016  -1.433   2.435
   21    HD2  PHE   4           HD2      PHE   4  -2.766   0.451   1.665
   22    HE1  PHE   4           HE1      PHE   4  -0.160  -3.468   3.229
   23    HE2  PHE   4           HE2      PHE   4  -3.941  -1.583   2.459
   24    HZ   PHE   4           HZ       PHE   4  -2.638  -3.543   3.239
   25    H    MET   5           H        MET   5  -0.056  -1.784  -0.181
   26    HA   MET   5           HA       MET   5   2.461  -2.829   0.335
   27    HB2  MET   5           HB2      MET   5   0.299  -3.574  -1.646
   28    HB3  MET   5           HB3      MET   5   1.706  -4.604  -1.377
   29    HG2  MET   5           HG2      MET   5  -0.018  -3.635   0.905
   30    HG3  MET   5           HG3      MET   5  -0.380  -5.121   0.029
   31    HE1  MET   5           HE1      MET   5  -0.525  -6.011   2.052
   32    HE2  MET   5           HE2      MET   5   0.674  -6.125   3.338
   33    HE3  MET   5           HE3      MET   5   0.632  -7.349   2.072
  Start of MODEL    6
    1    H1   TYR   1           H3       TYR   1  -2.775  -5.521   1.298
    2    HA   TYR   1           HA       TYR   1  -5.102  -5.198  -0.509
    3    HB2  TYR   1           HB2      TYR   1  -4.433  -4.086   1.871
    4    HB3  TYR   1           HB3      TYR   1  -3.572  -2.999   0.782
    5    HD1  TYR   1           HD2      TYR   1  -6.874  -4.792   0.729
    6    HD2  TYR   1           HD1      TYR   1  -4.768  -1.080   0.247
    7    HE1  TYR   1           HE2      TYR   1  -9.007  -3.655   0.173
    8    HE2  TYR   1           HE1      TYR   1  -6.901   0.058  -0.308
    9    HH   TYR   1           H2       TYR   1  -9.907  -1.282   0.287
   10    H    GLY   2           H        GLY   2  -4.559  -3.157  -1.975
   11    HA2  GLY   2           HA2      GLY   2  -1.804  -3.482  -3.083
   12    HA3  GLY   2           HA3      GLY   2  -3.214  -3.425  -4.142
   13    H    GLY   3           H        GLY   3  -3.460  -1.424  -1.379
   14    HA2  GLY   3           HA2      GLY   3  -3.217   0.963  -3.107
   15    HA3  GLY   3           HA3      GLY   3  -3.889   0.934  -1.477
   16    H    PHE   4           H        PHE   4  -1.558  -0.613  -0.449
   17    HA   PHE   4           HA       PHE   4   0.522   1.530  -0.571
   18    HB2  PHE   4           HB2      PHE   4   0.814   0.902   1.917
   19    HB3  PHE   4           HB3      PHE   4  -0.631   1.818   1.490
   20    HD1  PHE   4           HD2      PHE   4  -2.829   0.670   1.265
   21    HD2  PHE   4           HD1      PHE   4   0.671  -1.377   2.681
   22    HE1  PHE   4           HE2      PHE   4  -4.256  -1.154   2.154
   23    HE2  PHE   4           HE1      PHE   4  -0.755  -3.201   3.571
   24    HZ   PHE   4           HZ       PHE   4  -3.218  -3.089   3.307
   25    H    MET   5           H        MET   5  -0.148  -1.880   0.252
   26    HA   MET   5           HA       MET   5   2.489  -2.818   0.568
   27    HB2  MET   5           HB2      MET   5  -0.090  -3.982  -0.474
   28    HB3  MET   5           HB3      MET   5   1.368  -4.971  -0.393
   29    HG2  MET   5           HG2      MET   5   0.855  -3.424   2.055
   30    HG3  MET   5           HG3      MET   5  -0.400  -4.607   1.688
   31    HE1  MET   5           HE1      MET   5   3.928  -4.756   2.188
   32    HE2  MET   5           HE2      MET   5   3.216  -4.872   3.794
   33    HE3  MET   5           HE3      MET   5   2.719  -3.575   2.712
  Start of MODEL    7
    1    H1   TYR   1           H3       TYR   1  -4.558  -4.325   1.613
    2    HA   TYR   1           HA       TYR   1  -5.747  -5.044  -1.002
    3    HB2  TYR   1           HB2      TYR   1  -6.851  -3.456   0.562
    4    HB3  TYR   1           HB3      TYR   1  -5.381  -2.481   0.585
    5    HD1  TYR   1           HD1      TYR   1  -7.822  -3.992  -1.831
    6    HD2  TYR   1           HD2      TYR   1  -5.137  -0.752  -0.967
    7    HE1  TYR   1           HE1      TYR   1  -8.555  -2.832  -3.897
    8    HE2  TYR   1           HE2      TYR   1  -5.871   0.408  -3.033
    9    HH   TYR   1           H2       TYR   1  -8.466  -0.924  -5.064
   10    H    GLY   2           H        GLY   2  -4.850  -3.500  -2.756
   11    HA2  GLY   2           HA2      GLY   2  -1.874  -3.516  -2.566
   12    HA3  GLY   2           HA3      GLY   2  -2.787  -3.551  -4.074
   13    H    GLY   3           H        GLY   3  -3.407  -1.406  -1.322
   14    HA2  GLY   3           HA2      GLY   3  -3.073   0.899  -3.162
   15    HA3  GLY   3           HA3      GLY   3  -3.881   0.946  -1.594
   16    H    PHE   4           H        PHE   4  -1.497  -0.676  -0.514
   17    HA   PHE   4           HA       PHE   4   0.368   1.645  -0.253
   18    HB2  PHE   4           HB2      PHE   4   0.777   0.596   2.039
   19    HB3  PHE   4           HB3      PHE   4  -0.833   1.272   1.795
   20    HD1  PHE   4           HD1      PHE   4  -2.779  -0.184   1.454
   21    HD2  PHE   4           HD2      PHE   4   1.134  -1.812   2.151
   22    HE1  PHE   4           HE1      PHE   4  -3.785  -2.403   1.917
   23    HE2  PHE   4           HE2      PHE   4   0.129  -4.031   2.614
   24    HZ   PHE   4           HZ       PHE   4  -2.331  -4.326   2.497
   25    H    MET   5           H        MET   5   0.147  -1.918  -0.239
   26    HA   MET   5           HA       MET   5   2.951  -2.447  -0.192
   27    HB2  MET   5           HB2      MET   5   2.199  -4.669  -1.045
   28    HB3  MET   5           HB3      MET   5   1.200  -4.095   0.292
   29    HG2  MET   5           HG2      MET   5  -0.516  -4.594  -1.132
   30    HG3  MET   5           HG3      MET   5  -0.140  -3.008  -1.803
   31    HE1  MET   5           HE1      MET   5   0.598  -6.557  -1.603
   32    HE2  MET   5           HE2      MET   5   2.169  -6.467  -2.396
   33    HE3  MET   5           HE3      MET   5   0.798  -7.166  -3.252
  Start of MODEL    8
    1    H1   TYR   1           H3       TYR   1  -4.080  -4.905   1.351
    2    HA   TYR   1           HA       TYR   1  -5.844  -4.983  -1.046
    3    HB2  TYR   1           HB2      TYR   1  -6.457  -3.534   1.023
    4    HB3  TYR   1           HB3      TYR   1  -5.033  -2.583   0.597
    5    HD1  TYR   1           HD1      TYR   1  -8.161  -4.001  -0.904
    6    HD2  TYR   1           HD2      TYR   1  -5.201  -0.890  -1.012
    7    HE1  TYR   1           HE1      TYR   1  -9.468  -2.817  -2.647
    8    HE2  TYR   1           HE2      TYR   1  -6.509   0.294  -2.755
    9    HH   TYR   1           H2       TYR   1  -8.589   0.409  -3.730
   10    H    GLY   2           H        GLY   2  -4.899  -3.379  -2.675
   11    HA2  GLY   2           HA2      GLY   2  -1.912  -3.537  -2.601
   12    HA3  GLY   2           HA3      GLY   2  -2.863  -3.577  -4.088
   13    H    GLY   3           H        GLY   3  -3.326  -1.409  -1.314
   14    HA2  GLY   3           HA2      GLY   3  -2.989   0.878  -3.191
   15    HA3  GLY   3           HA3      GLY   3  -3.850   0.946  -1.652
   16    H    PHE   4           H        PHE   4  -1.502  -0.694  -0.496
   17    HA   PHE   4           HA       PHE   4   0.286   1.660  -0.069
   18    HB2  PHE   4           HB2      PHE   4   0.767   0.435   2.098
   19    HB3  PHE   4           HB3      PHE   4  -0.909   0.956   1.914
   20    HD1  PHE   4           HD1      PHE   4   1.390  -1.937   1.790
   21    HD2  PHE   4           HD2      PHE   4  -2.698  -0.639   1.576
   22    HE1  PHE   4           HE1      PHE   4   0.633  -4.288   2.002
   23    HE2  PHE   4           HE2      PHE   4  -3.456  -2.990   1.788
   24    HZ   PHE   4           HZ       PHE   4  -1.790  -4.813   1.998
   25    H    MET   5           H        MET   5   0.249  -1.874  -0.524
   26    HA   MET   5           HA       MET   5   3.068  -2.293  -0.496
   27    HB2  MET   5           HB2      MET   5   2.405  -4.380  -1.734
   28    HB3  MET   5           HB3      MET   5   1.427  -4.080  -0.296
   29    HG2  MET   5           HG2      MET   5  -0.326  -4.377  -1.721
   30    HG3  MET   5           HG3      MET   5   0.004  -2.706  -2.176
   31    HE1  MET   5           HE1      MET   5  -0.094  -6.430  -4.215
   32    HE2  MET   5           HE2      MET   5  -1.168  -5.167  -4.813
   33    HE3  MET   5           HE3      MET   5  -1.089  -5.502  -3.085
  Start of MODEL    9
    1    H1   TYR   1           H3       TYR   1  -4.515  -5.369   0.848
    2    HA   TYR   1           HA       TYR   1  -5.941  -4.932  -1.256
    3    HB2  TYR   1           HB2      TYR   1  -7.255  -3.225   0.049
    4    HB3  TYR   1           HB3      TYR   1  -5.810  -2.213   0.088
    5    HD1  TYR   1           HD2      TYR   1  -7.238  -4.365  -2.625
    6    HD2  TYR   1           HD1      TYR   1  -6.180  -0.402  -1.352
    7    HE1  TYR   1           HE2      TYR   1  -7.781  -3.495  -4.883
    8    HE2  TYR   1           HE1      TYR   1  -6.724   0.468  -3.609
    9    HH   TYR   1           H2       TYR   1  -8.477  -0.607  -5.621
   10    H    GLY   2           H        GLY   2  -4.790  -3.504  -2.960
   11    HA2  GLY   2           HA2      GLY   2  -1.878  -3.511  -2.341
   12    HA3  GLY   2           HA3      GLY   2  -2.573  -3.553  -3.962
   13    H    GLY   3           H        GLY   3  -3.606  -1.370  -1.386
   14    HA2  GLY   3           HA2      GLY   3  -3.072   0.915  -3.172
   15    HA3  GLY   3           HA3      GLY   3  -3.942   0.981  -1.638
   16    H    PHE   4           H        PHE   4  -1.421  -0.753  -0.727
   17    HA   PHE   4           HA       PHE   4   0.370   1.602  -0.304
   18    HB2  PHE   4           HB2      PHE   4   0.716   0.498   1.997
   19    HB3  PHE   4           HB3      PHE   4  -0.843   1.276   1.723
   20    HD1  PHE   4           HD2      PHE   4  -2.848  -0.096   1.163
   21    HD2  PHE   4           HD1      PHE   4   0.899  -1.886   2.261
   22    HE1  PHE   4           HE2      PHE   4  -4.001  -2.250   1.585
   23    HE2  PHE   4           HE1      PHE   4  -0.254  -4.040   2.684
   24    HZ   PHE   4           HZ       PHE   4  -2.705  -4.222   2.346
   25    H    MET   5           H        MET   5   0.153  -1.965  -0.201
   26    HA   MET   5           HA       MET   5   2.958  -2.475  -0.130
   27    HB2  MET   5           HB2      MET   5   2.232  -4.731  -0.866
   28    HB3  MET   5           HB3      MET   5   1.178  -4.099   0.400
   29    HG2  MET   5           HG2      MET   5  -0.436  -4.771  -1.102
   30    HG3  MET   5           HG3      MET   5  -0.148  -3.144  -1.718
   31    HE1  MET   5           HE1      MET   5  -1.356  -5.641  -3.656
   32    HE2  MET   5           HE2      MET   5  -0.639  -6.508  -2.300
   33    HE3  MET   5           HE3      MET   5  -0.108  -6.862  -3.943
  Start of MODEL   10
    1    H1   TYR   1           H3       TYR   1  -4.463  -6.540   1.067
    2    HA   TYR   1           HA       TYR   1  -5.484  -4.822  -0.658
    3    HB2  TYR   1           HB2      TYR   1  -3.862  -4.877   1.736
    4    HB3  TYR   1           HB3      TYR   1  -3.491  -3.433   0.793
    5    HD1  TYR   1           HD2      TYR   1  -5.256  -1.794   0.243
    6    HD2  TYR   1           HD1      TYR   1  -6.050  -5.210   2.725
    7    HE1  TYR   1           HE2      TYR   1  -7.374  -0.752   1.002
    8    HE2  TYR   1           HE1      TYR   1  -8.168  -4.167   3.483
    9    HH   TYR   1           H2       TYR   1  -8.995  -1.596   3.644
   10    H    GLY   2           H        GLY   2  -4.640  -3.102  -2.036
   11    HA2  GLY   2           HA2      GLY   2  -1.872  -3.524  -3.044
   12    HA3  GLY   2           HA3      GLY   2  -3.212  -3.466  -4.189
   13    H    GLY   3           H        GLY   3  -3.341  -1.465  -1.346
   14    HA2  GLY   3           HA2      GLY   3  -3.177   0.926  -3.096
   15    HA3  GLY   3           HA3      GLY   3  -3.806   0.898  -1.447
   16    H    PHE   4           H        PHE   4  -1.639  -0.462  -0.210
   17    HA   PHE   4           HA       PHE   4   0.469   1.643  -0.392
   18    HB2  PHE   4           HB2      PHE   4   0.908   0.811   1.996
   19    HB3  PHE   4           HB3      PHE   4  -0.626   1.642   1.734
   20    HD1  PHE   4           HD1      PHE   4   0.966  -1.707   2.034
   21    HD2  PHE   4           HD2      PHE   4  -2.713   0.510   1.981
   22    HE1  PHE   4           HE1      PHE   4  -0.261  -3.727   2.785
   23    HE2  PHE   4           HE2      PHE   4  -3.940  -1.510   2.734
   24    HZ   PHE   4           HZ       PHE   4  -2.714  -3.629   3.131
   25    H    MET   5           H        MET   5  -0.154  -1.817  -0.418
   26    HA   MET   5           HA       MET   5   2.389  -2.912   0.010
   27    HB2  MET   5           HB2      MET   5   0.012  -3.570  -1.704
   28    HB3  MET   5           HB3      MET   5   1.465  -4.562  -1.843
   29    HG2  MET   5           HG2      MET   5   1.224  -4.393   0.868
   30    HG3  MET   5           HG3      MET   5  -0.471  -4.358   0.383
   31    HE1  MET   5           HE1      MET   5  -0.719  -6.214   1.785
   32    HE2  MET   5           HE2      MET   5   0.806  -7.043   2.084
   33    HE3  MET   5           HE3      MET   5  -0.522  -7.908   1.313
  Start of MODEL   11
    1    H1   TYR   1           H3       TYR   1  -4.171  -4.785   1.265
    2    HA   TYR   1           HA       TYR   1  -5.852  -5.066  -1.155
    3    HB2  TYR   1           HB2      TYR   1  -6.835  -3.486   0.561
    4    HB3  TYR   1           HB3      TYR   1  -5.343  -2.552   0.464
    5    HD1  TYR   1           HD1      TYR   1  -7.363  -4.287  -2.174
    6    HD2  TYR   1           HD2      TYR   1  -5.801  -0.570  -0.695
    7    HE1  TYR   1           HE1      TYR   1  -8.218  -3.126  -4.191
    8    HE2  TYR   1           HE2      TYR   1  -6.656   0.593  -2.712
    9    HH   TYR   1           H2       TYR   1  -7.836   0.398  -4.584
   10    H    GLY   2           H        GLY   2  -4.850  -3.344  -2.745
   11    HA2  GLY   2           HA2      GLY   2  -1.876  -3.518  -2.488
   12    HA3  GLY   2           HA3      GLY   2  -2.729  -3.559  -4.031
   13    H    GLY   3           H        GLY   3  -3.476  -1.382  -1.347
   14    HA2  GLY   3           HA2      GLY   3  -3.030   0.900  -3.186
   15    HA3  GLY   3           HA3      GLY   3  -3.900   0.971  -1.654
   16    H    PHE   4           H        PHE   4  -1.466  -0.731  -0.623
   17    HA   PHE   4           HA       PHE   4   0.323   1.623  -0.178
   18    HB2  PHE   4           HB2      PHE   4   0.735   0.423   2.046
   19    HB3  PHE   4           HB3      PHE   4  -0.876   1.107   1.829
   20    HD1  PHE   4           HD1      PHE   4  -2.811  -0.343   1.332
   21    HD2  PHE   4           HD2      PHE   4   1.098  -1.977   2.051
   22    HE1  PHE   4           HE1      PHE   4  -3.808  -2.592   1.651
   23    HE2  PHE   4           HE2      PHE   4   0.100  -4.225   2.369
   24    HZ   PHE   4           HZ       PHE   4  -2.353  -4.532   2.171
   25    H    MET   5           H        MET   5   0.199  -1.939  -0.364
   26    HA   MET   5           HA       MET   5   3.018  -2.391  -0.326
   27    HB2  MET   5           HB2      MET   5   2.315  -4.591  -1.298
   28    HB3  MET   5           HB3      MET   5   1.337  -4.112   0.089
   29    HG2  MET   5           HG2      MET   5  -0.424  -4.528  -1.289
   30    HG3  MET   5           HG3      MET   5  -0.045  -2.943  -1.964
   31    HE1  MET   5           HE1      MET   5  -1.415  -5.681  -3.873
   32    HE2  MET   5           HE2      MET   5  -0.814  -6.200  -2.300
   33    HE3  MET   5           HE3      MET   5  -0.150  -6.914  -3.768
  Start of MODEL   12
    1    H1   TYR   1           H3       TYR   1  -4.623  -4.624   1.585
    2    HA   TYR   1           HA       TYR   1  -5.859  -5.007  -1.065
    3    HB2  TYR   1           HB2      TYR   1  -6.602  -3.487   0.895
    4    HB3  TYR   1           HB3      TYR   1  -5.180  -2.518   0.508
    5    HD1  TYR   1           HD2      TYR   1  -7.772  -4.323  -1.527
    6    HD2  TYR   1           HD1      TYR   1  -5.722  -0.631  -0.741
    7    HE1  TYR   1           HE2      TYR   1  -9.014  -3.239  -3.380
    8    HE2  TYR   1           HE1      TYR   1  -6.965   0.453  -2.593
    9    HH   TYR   1           H2       TYR   1  -8.253  -0.834  -4.942
   10    H    GLY   2           H        GLY   2  -4.908  -3.419  -2.723
   11    HA2  GLY   2           HA2      GLY   2  -1.924  -3.533  -2.573
   12    HA3  GLY   2           HA3      GLY   2  -2.840  -3.586  -4.080
   13    H    GLY   3           H        GLY   3  -3.302  -1.409  -1.304
   14    HA2  GLY   3           HA2      GLY   3  -2.976   0.873  -3.194
   15    HA3  GLY   3           HA3      GLY   3  -3.856   0.943  -1.667
   16    H    PHE   4           H        PHE   4  -1.468  -0.709  -0.540
   17    HA   PHE   4           HA       PHE   4   0.284   1.665  -0.072
   18    HB2  PHE   4           HB2      PHE   4   0.754   0.425   2.099
   19    HB3  PHE   4           HB3      PHE   4  -0.910   0.978   1.906
   20    HD1  PHE   4           HD2      PHE   4   1.331  -1.952   1.853
   21    HD2  PHE   4           HD1      PHE   4  -2.727  -0.587   1.503
   22    HE1  PHE   4           HE2      PHE   4   0.525  -4.288   2.067
   23    HE2  PHE   4           HE1      PHE   4  -3.531  -2.922   1.716
   24    HZ   PHE   4           HZ       PHE   4  -1.905  -4.772   1.997
   25    H    MET   5           H        MET   5   0.281  -1.877  -0.498
   26    HA   MET   5           HA       MET   5   3.130  -2.199  -0.487
   27    HB2  MET   5           HB2      MET   5   2.482  -4.386  -1.594
   28    HB3  MET   5           HB3      MET   5   1.618  -4.043  -0.095
   29    HG2  MET   5           HG2      MET   5  -0.314  -4.260  -1.230
   30    HG3  MET   5           HG3      MET   5   0.116  -2.813  -2.141
   31    HE1  MET   5           HE1      MET   5  -1.460  -5.936  -3.647
   32    HE2  MET   5           HE2      MET   5  -0.957  -5.923  -1.958
   33    HE3  MET   5           HE3      MET   5  -0.196  -7.040  -3.088
  Start of MODEL   13
    1    H1   TYR   1           H3       TYR   1  -3.089  -6.787   0.008
    2    HA   TYR   1           HA       TYR   1  -5.335  -4.920  -0.559
    3    HB2  TYR   1           HB2      TYR   1  -3.515  -5.149   1.658
    4    HB3  TYR   1           HB3      TYR   1  -3.116  -3.698   0.737
    5    HD1  TYR   1           HD2      TYR   1  -4.873  -1.971   0.297
    6    HD2  TYR   1           HD1      TYR   1  -5.551  -5.308   2.915
    7    HE1  TYR   1           HE2      TYR   1  -6.838  -0.810   1.269
    8    HE2  TYR   1           HE1      TYR   1  -7.515  -4.146   3.887
    9    HH   TYR   1           H2       TYR   1  -9.119  -1.819   2.551
   10    H    GLY   2           H        GLY   2  -4.550  -3.110  -1.880
   11    HA2  GLY   2           HA2      GLY   2  -1.911  -3.482  -3.170
   12    HA3  GLY   2           HA3      GLY   2  -3.337  -3.484  -4.208
   13    H    GLY   3           H        GLY   3  -3.080  -1.495  -1.320
   14    HA2  GLY   3           HA2      GLY   3  -3.166   0.905  -3.096
   15    HA3  GLY   3           HA3      GLY   3  -3.820   0.848  -1.458
   16    H    PHE   4           H        PHE   4  -1.526  -0.532  -0.314
   17    HA   PHE   4           HA       PHE   4   0.521   1.638  -0.510
   18    HB2  PHE   4           HB2      PHE   4   0.841   1.048   1.975
   19    HB3  PHE   4           HB3      PHE   4  -0.656   1.879   1.553
   20    HD1  PHE   4           HD1      PHE   4   0.838  -1.422   2.352
   21    HD2  PHE   4           HD2      PHE   4  -2.789   0.796   1.743
   22    HE1  PHE   4           HE1      PHE   4  -0.475  -3.322   3.255
   23    HE2  PHE   4           HE2      PHE   4  -4.103  -1.105   2.647
   24    HZ   PHE   4           HZ       PHE   4  -2.945  -3.163   3.401
   25    H    MET   5           H        MET   5  -0.114  -1.810  -0.047
   26    HA   MET   5           HA       MET   5   2.446  -2.802   0.521
   27    HB2  MET   5           HB2      MET   5   0.123  -3.786  -1.138
   28    HB3  MET   5           HB3      MET   5   1.557  -4.784  -0.898
   29    HG2  MET   5           HG2      MET   5   1.012  -3.906   1.661
   30    HG3  MET   5           HG3      MET   5  -0.601  -4.134   0.985
   31    HE1  MET   5           HE1      MET   5   0.467  -6.333   3.471
   32    HE2  MET   5           HE2      MET   5   1.748  -5.237   2.962
   33    HE3  MET   5           HE3      MET   5   2.002  -6.979   2.873
  Start of MODEL   14
    1    H1   TYR   1           H3       TYR   1  -4.600  -6.848   0.809
    2    HA   TYR   1           HA       TYR   1  -5.289  -4.971  -0.523
    3    HB2  TYR   1           HB2      TYR   1  -3.508  -5.040   1.713
    4    HB3  TYR   1           HB3      TYR   1  -3.080  -3.641   0.727
    5    HD1  TYR   1           HD2      TYR   1  -4.935  -2.033   0.022
    6    HD2  TYR   1           HD1      TYR   1  -5.459  -5.027   3.057
    7    HE1  TYR   1           HE2      TYR   1  -6.918  -0.816   0.881
    8    HE2  TYR   1           HE1      TYR   1  -7.441  -3.810   3.917
    9    HH   TYR   1           H2       TYR   1  -8.108  -0.922   3.587
   10    H    GLY   2           H        GLY   2  -4.504  -3.086  -1.824
   11    HA2  GLY   2           HA2      GLY   2  -1.905  -3.480  -3.177
   12    HA3  GLY   2           HA3      GLY   2  -3.351  -3.487  -4.185
   13    H    GLY   3           H        GLY   3  -3.099  -1.471  -1.326
   14    HA2  GLY   3           HA2      GLY   3  -3.127   0.912  -3.128
   15    HA3  GLY   3           HA3      GLY   3  -3.841   0.875  -1.516
   16    H    PHE   4           H        PHE   4  -1.506  -0.593  -0.399
   17    HA   PHE   4           HA       PHE   4   0.491   1.631  -0.447
   18    HB2  PHE   4           HB2      PHE   4   0.782   0.964   2.009
   19    HB3  PHE   4           HB3      PHE   4  -0.747   1.742   1.600
   20    HD1  PHE   4           HD1      PHE   4   0.876  -1.573   2.126
   21    HD2  PHE   4           HD2      PHE   4  -2.816   0.611   1.880
   22    HE1  PHE   4           HE1      PHE   4  -0.358  -3.566   2.935
   23    HE2  PHE   4           HE2      PHE   4  -4.049  -1.383   2.690
   24    HZ   PHE   4           HZ       PHE   4  -2.819  -3.471   3.217
   25    H    MET   5           H        MET   5  -0.085  -1.845  -0.130
   26    HA   MET   5           HA       MET   5   2.416  -2.885   0.463
   27    HB2  MET   5           HB2      MET   5   0.283  -3.684  -1.523
   28    HB3  MET   5           HB3      MET   5   1.685  -4.708  -1.214
   29    HG2  MET   5           HG2      MET   5   0.698  -3.924   1.321
   30    HG3  MET   5           HG3      MET   5  -0.705  -4.409   0.367
   31    HE1  MET   5           HE1      MET   5   3.165  -6.462   1.106
   32    HE2  MET   5           HE2      MET   5   2.248  -6.343   2.605
   33    HE3  MET   5           HE3      MET   5   2.555  -4.894   1.650
  Start of MODEL   15
    1    H1   TYR   1           H3       TYR   1  -2.930  -6.361   0.393
    2    HA   TYR   1           HA       TYR   1  -5.420  -5.134  -0.667
    3    HB2  TYR   1           HB2      TYR   1  -4.122  -4.585   1.748
    4    HB3  TYR   1           HB3      TYR   1  -3.473  -3.385   0.630
    5    HD1  TYR   1           HD2      TYR   1  -6.683  -4.877   1.838
    6    HD2  TYR   1           HD1      TYR   1  -4.749  -1.501   0.016
    7    HE1  TYR   1           HE2      TYR   1  -8.791  -3.583   1.998
    8    HE2  TYR   1           HE1      TYR   1  -6.859  -0.207   0.175
    9    HH   TYR   1           H2       TYR   1  -9.367  -1.017   2.114
   10    H    GLY   2           H        GLY   2  -4.507  -3.017  -1.838
   11    HA2  GLY   2           HA2      GLY   2  -1.875  -3.493  -3.087
   12    HA3  GLY   2           HA3      GLY   2  -3.275  -3.496  -4.160
   13    H    GLY   3           H        GLY   3  -3.191  -1.443  -1.332
   14    HA2  GLY   3           HA2      GLY   3  -3.083   0.916  -3.159
   15    HA3  GLY   3           HA3      GLY   3  -3.868   0.907  -1.580
   16    H    PHE   4           H        PHE   4  -1.485  -0.661  -0.503
   17    HA   PHE   4           HA       PHE   4   0.438   1.624  -0.362
   18    HB2  PHE   4           HB2      PHE   4   0.732   0.765   2.045
   19    HB3  PHE   4           HB3      PHE   4  -0.795   1.567   1.680
   20    HD1  PHE   4           HD1      PHE   4   0.843  -1.735   2.121
   21    HD2  PHE   4           HD2      PHE   4  -2.875   0.375   1.705
   22    HE1  PHE   4           HE1      PHE   4  -0.392  -3.784   2.771
   23    HE2  PHE   4           HE2      PHE   4  -4.111  -1.674   2.354
   24    HZ   PHE   4           HZ       PHE   4  -2.870  -3.754   2.888
   25    H    MET   5           H        MET   5  -0.009  -1.895  -0.152
   26    HA   MET   5           HA       MET   5   2.627  -2.755   0.274
   27    HB2  MET   5           HB2      MET   5   0.214  -3.759  -1.187
   28    HB3  MET   5           HB3      MET   5   1.728  -4.643  -1.386
   29    HG2  MET   5           HG2      MET   5   1.303  -3.967   1.399
   30    HG3  MET   5           HG3      MET   5  -0.077  -4.859   0.759
   31    HE1  MET   5           HE1      MET   5   1.929  -7.018  -1.547
   32    HE2  MET   5           HE2      MET   5   0.346  -6.391  -1.090
   33    HE3  MET   5           HE3      MET   5   0.869  -7.963  -0.491
  Start of MODEL   16
    1    H1   TYR   1           H3       TYR   1  -4.080  -6.459   1.247
    2    HA   TYR   1           HA       TYR   1  -5.272  -5.049  -0.579
    3    HB2  TYR   1           HB2      TYR   1  -3.654  -4.644   1.755
    4    HB3  TYR   1           HB3      TYR   1  -3.367  -3.307   0.641
    5    HD1  TYR   1           HD2      TYR   1  -6.076  -5.258   2.313
    6    HD2  TYR   1           HD1      TYR   1  -4.975  -1.600   0.349
    7    HE1  TYR   1           HE2      TYR   1  -8.264  -4.267   2.932
    8    HE2  TYR   1           HE1      TYR   1  -7.162  -0.609   0.966
    9    HH   TYR   1           H2       TYR   1  -9.736  -2.166   1.729
   10    H    GLY   2           H        GLY   2  -4.452  -3.036  -1.831
   11    HA2  GLY   2           HA2      GLY   2  -1.823  -3.473  -3.125
   12    HA3  GLY   2           HA3      GLY   2  -3.255  -3.436  -4.157
   13    H    GLY   3           H        GLY   3  -3.369  -1.448  -1.353
   14    HA2  GLY   3           HA2      GLY   3  -3.236   0.952  -3.089
   15    HA3  GLY   3           HA3      GLY   3  -3.879   0.904  -1.446
   16    H    PHE   4           H        PHE   4  -1.535  -0.594  -0.428
   17    HA   PHE   4           HA       PHE   4   0.557   1.526  -0.637
   18    HB2  PHE   4           HB2      PHE   4   0.835   1.025   1.887
   19    HB3  PHE   4           HB3      PHE   4  -0.582   1.956   1.402
   20    HD1  PHE   4           HD2      PHE   4  -2.816   0.908   1.321
   21    HD2  PHE   4           HD1      PHE   4   0.635  -1.254   2.686
   22    HE1  PHE   4           HE2      PHE   4  -4.291  -0.824   2.305
   23    HE2  PHE   4           HE1      PHE   4  -0.841  -2.988   3.669
   24    HZ   PHE   4           HZ       PHE   4  -3.304  -2.773   3.477
   25    H    MET   5           H        MET   5  -0.206  -1.844   0.212
   26    HA   MET   5           HA       MET   5   2.430  -2.797   0.648
   27    HB2  MET   5           HB2      MET   5  -0.219  -3.901  -0.188
   28    HB3  MET   5           HB3      MET   5   1.192  -4.948  -0.352
   29    HG2  MET   5           HG2      MET   5   1.374  -3.666   2.185
   30    HG3  MET   5           HG3      MET   5  -0.265  -4.299   2.027
   31    HE1  MET   5           HE1      MET   5  -0.453  -6.206   0.422
   32    HE2  MET   5           HE2      MET   5  -0.327  -7.657   1.415
   33    HE3  MET   5           HE3      MET   5   0.797  -7.409   0.081
  Start of MODEL   17
    1    H1   TYR   1           H3       TYR   1  -4.306  -6.246   0.495
    2    HA   TYR   1           HA       TYR   1  -5.785  -5.039  -0.989
    3    HB2  TYR   1           HB2      TYR   1  -6.407  -3.568   1.054
    4    HB3  TYR   1           HB3      TYR   1  -5.008  -2.594   0.605
    5    HD1  TYR   1           HD1      TYR   1  -7.715  -4.351  -1.320
    6    HD2  TYR   1           HD2      TYR   1  -5.623  -0.677  -0.562
    7    HE1  TYR   1           HE1      TYR   1  -9.060  -3.223  -3.071
    8    HE2  TYR   1           HE2      TYR   1  -6.969   0.451  -2.313
    9    HH   TYR   1           H2       TYR   1  -9.540  -0.180  -3.347
   10    H    GLY   2           H        GLY   2  -4.914  -3.427  -2.660
   11    HA2  GLY   2           HA2      GLY   2  -1.926  -3.535  -2.660
   12    HA3  GLY   2           HA3      GLY   2  -2.914  -3.577  -4.120
   13    H    GLY   3           H        GLY   3  -3.235  -1.432  -1.297
   14    HA2  GLY   3           HA2      GLY   3  -3.002   0.872  -3.178
   15    HA3  GLY   3           HA3      GLY   3  -3.831   0.921  -1.622
   16    H    PHE   4           H        PHE   4  -1.512  -0.653  -0.428
   17    HA   PHE   4           HA       PHE   4   0.310   1.688  -0.099
   18    HB2  PHE   4           HB2      PHE   4   0.798   0.514   2.101
   19    HB3  PHE   4           HB3      PHE   4  -0.863   1.079   1.918
   20    HD1  PHE   4           HD1      PHE   4   1.347  -1.884   1.871
   21    HD2  PHE   4           HD2      PHE   4  -2.704  -0.471   1.650
   22    HE1  PHE   4           HE1      PHE   4   0.520  -4.202   2.177
   23    HE2  PHE   4           HE2      PHE   4  -3.530  -2.789   1.955
   24    HZ   PHE   4           HZ       PHE   4  -1.918  -4.654   2.217
   25    H    MET   5           H        MET   5   0.240  -1.858  -0.437
   26    HA   MET   5           HA       MET   5   3.109  -2.167  -0.515
   27    HB2  MET   5           HB2      MET   5   2.457  -4.456  -1.298
   28    HB3  MET   5           HB3      MET   5   1.577  -3.951   0.146
   29    HG2  MET   5           HG2      MET   5  -0.323  -4.402  -0.986
   30    HG3  MET   5           HG3      MET   5   0.033  -2.985  -1.975
   31    HE1  MET   5           HE1      MET   5   0.138  -2.840  -3.944
   32    HE2  MET   5           HE2      MET   5  -0.928  -4.070  -4.616
   33    HE3  MET   5           HE3      MET   5   0.722  -3.921  -5.216
  Start of MODEL   18
    1    H1   TYR   1           H3       TYR   1  -4.637  -6.307   0.428
    2    HA   TYR   1           HA       TYR   1  -5.896  -5.064  -1.177
    3    HB2  TYR   1           HB2      TYR   1  -6.623  -3.538   0.790
    4    HB3  TYR   1           HB3      TYR   1  -5.171  -2.608   0.424
    5    HD1  TYR   1           HD2      TYR   1  -8.092  -4.159  -1.354
    6    HD2  TYR   1           HD1      TYR   1  -5.339  -0.870  -1.118
    7    HE1  TYR   1           HE2      TYR   1  -9.282  -3.030  -3.214
    8    HE2  TYR   1           HE1      TYR   1  -6.529   0.260  -2.977
    9    HH   TYR   1           H2       TYR   1  -8.427   0.252  -4.215
   10    H    GLY   2           H        GLY   2  -4.859  -3.242  -2.667
   11    HA2  GLY   2           HA2      GLY   2  -1.885  -3.533  -2.508
   12    HA3  GLY   2           HA3      GLY   2  -2.769  -3.567  -4.035
   13    H    GLY   3           H        GLY   3  -3.479  -1.374  -1.360
   14    HA2  GLY   3           HA2      GLY   3  -2.980   0.897  -3.205
   15    HA3  GLY   3           HA3      GLY   3  -3.895   0.981  -1.699
   16    H    PHE   4           H        PHE   4  -1.451  -0.759  -0.663
   17    HA   PHE   4           HA       PHE   4   0.272   1.613  -0.081
   18    HB2  PHE   4           HB2      PHE   4   0.710   0.309   2.071
   19    HB3  PHE   4           HB3      PHE   4  -0.934   0.918   1.876
   20    HD1  PHE   4           HD1      PHE   4  -2.787  -0.594   1.324
   21    HD2  PHE   4           HD2      PHE   4   1.207  -2.070   1.885
   22    HE1  PHE   4           HE1      PHE   4  -3.664  -2.907   1.490
   23    HE2  PHE   4           HE2      PHE   4   0.330  -4.383   2.051
   24    HZ   PHE   4           HZ       PHE   4  -2.106  -4.801   1.853
   25    H    MET   5           H        MET   5   0.270  -1.931  -0.513
   26    HA   MET   5           HA       MET   5   3.142  -2.187  -0.550
   27    HB2  MET   5           HB2      MET   5   2.511  -4.454  -1.491
   28    HB3  MET   5           HB3      MET   5   1.700  -4.041   0.019
   29    HG2  MET   5           HG2      MET   5  -0.300  -4.260  -0.985
   30    HG3  MET   5           HG3      MET   5   0.138  -3.002  -2.139
   31    HE1  MET   5           HE1      MET   5  -0.523  -6.215  -1.144
   32    HE2  MET   5           HE2      MET   5   0.240  -7.413  -2.186
   33    HE3  MET   5           HE3      MET   5  -1.286  -6.680  -2.671
  Start of MODEL   19
    1    H1   TYR   1           H3       TYR   1  -4.533  -4.516   1.570
    2    HA   TYR   1           HA       TYR   1  -5.794  -5.019  -1.063
    3    HB2  TYR   1           HB2      TYR   1  -6.620  -3.439   0.809
    4    HB3  TYR   1           HB3      TYR   1  -5.200  -2.462   0.436
    5    HD1  TYR   1           HD1      TYR   1  -7.678  -4.380  -1.637
    6    HD2  TYR   1           HD2      TYR   1  -5.744  -0.621  -0.879
    7    HE1  TYR   1           HE1      TYR   1  -8.871  -3.379  -3.567
    8    HE2  TYR   1           HE2      TYR   1  -6.935   0.382  -2.809
    9    HH   TYR   1           H2       TYR   1  -8.595  -1.496  -5.119
   10    H    GLY   2           H        GLY   2  -4.845  -3.389  -2.722
   11    HA2  GLY   2           HA2      GLY   2  -1.864  -3.524  -2.552
   12    HA3  GLY   2           HA3      GLY   2  -2.773  -3.543  -4.064
   13    H    GLY   3           H        GLY   3  -3.476  -1.401  -1.348
   14    HA2  GLY   3           HA2      GLY   3  -3.088   0.907  -3.159
   15    HA3  GLY   3           HA3      GLY   3  -3.887   0.953  -1.587
   16    H    PHE   4           H        PHE   4  -1.513  -0.680  -0.511
   17    HA   PHE   4           HA       PHE   4   0.364   1.632  -0.258
   18    HB2  PHE   4           HB2      PHE   4   0.787   0.553   2.026
   19    HB3  PHE   4           HB3      PHE   4  -0.809   1.270   1.799
   20    HD1  PHE   4           HD1      PHE   4  -2.793  -0.135   1.477
   21    HD2  PHE   4           HD2      PHE   4   1.088  -1.864   2.105
   22    HE1  PHE   4           HE1      PHE   4  -3.848  -2.333   1.937
   23    HE2  PHE   4           HE2      PHE   4   0.034  -4.062   2.565
   24    HZ   PHE   4           HZ       PHE   4  -2.433  -4.296   2.481
   25    H    MET   5           H        MET   5   0.136  -1.930  -0.269
   26    HA   MET   5           HA       MET   5   2.996  -2.346  -0.343
   27    HB2  MET   5           HB2      MET   5   2.319  -4.672  -0.714
   28    HB3  MET   5           HB3      MET   5   1.282  -3.945   0.513
   29    HG2  MET   5           HG2      MET   5  -0.402  -4.772  -0.787
   30    HG3  MET   5           HG3      MET   5  -0.108  -3.319  -1.743
   31    HE1  MET   5           HE1      MET   5  -0.224  -7.226  -1.879
   32    HE2  MET   5           HE2      MET   5  -0.628  -7.014  -3.580
   33    HE3  MET   5           HE3      MET   5  -1.422  -6.019  -2.363
  Start of MODEL   20
    1    H1   TYR   1           H3       TYR   1  -3.627  -6.571   0.083
    2    HA   TYR   1           HA       TYR   1  -5.534  -5.112  -0.739
    3    HB2  TYR   1           HB2      TYR   1  -5.266  -4.010   1.673
    4    HB3  TYR   1           HB3      TYR   1  -4.112  -2.985   0.819
    5    HD1  TYR   1           HD2      TYR   1  -7.299  -4.548  -0.367
    6    HD2  TYR   1           HD1      TYR   1  -5.178  -0.915   0.501
    7    HE1  TYR   1           HE2      TYR   1  -9.170  -3.229  -1.319
    8    HE2  TYR   1           HE1      TYR   1  -7.050   0.405  -0.451
    9    HH   TYR   1           H2       TYR   1 -10.007  -1.190  -1.632
   10    H    GLY   2           H        GLY   2  -4.893  -3.350  -2.329
   11    HA2  GLY   2           HA2      GLY   2  -1.985  -3.551  -2.999
   12    HA3  GLY   2           HA3      GLY   2  -3.247  -3.544  -4.232
   13    H    GLY   3           H        GLY   3  -3.001  -1.512  -1.320
   14    HA2  GLY   3           HA2      GLY   3  -3.017   0.859  -3.140
   15    HA3  GLY   3           HA3      GLY   3  -3.736   0.848  -1.529
   16    H    PHE   4           H        PHE   4  -1.622  -0.459  -0.143
   17    HA   PHE   4           HA       PHE   4   0.348   1.761  -0.089
   18    HB2  PHE   4           HB2      PHE   4   0.903   0.657   2.133
   19    HB3  PHE   4           HB3      PHE   4  -0.754   1.248   1.993
   20    HD1  PHE   4           HD2      PHE   4   1.377  -1.794   1.745
   21    HD2  PHE   4           HD1      PHE   4  -2.612  -0.237   2.084
   22    HE1  PHE   4           HE2      PHE   4   0.520  -4.082   2.170
   23    HE2  PHE   4           HE1      PHE   4  -3.468  -2.524   2.510
   24    HZ   PHE   4           HZ       PHE   4  -1.903  -4.446   2.551
   25    H    MET   5           H        MET   5   0.179  -1.776  -0.419
   26    HA   MET   5           HA       MET   5   3.057  -2.123  -0.544
   27    HB2  MET   5           HB2      MET   5   2.329  -4.437  -1.259
   28    HB3  MET   5           HB3      MET   5   1.608  -3.889   0.255
   29    HG2  MET   5           HG2      MET   5  -0.438  -4.179  -0.627
   30    HG3  MET   5           HG3      MET   5  -0.064  -2.978  -1.864
   31    HE1  MET   5           HE1      MET   5   1.102  -6.187  -0.627
   32    HE2  MET   5           HE2      MET   5   1.417  -7.227  -2.014
   33    HE3  MET   5           HE3      MET   5  -0.208  -7.140  -1.338