*HEADER    DE NOVO PROTEIN                         25-OCT-17   6BEO              
*TITLE     SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN9.1                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: (DPR)PY(DHI)PKDL(DGN);                                     
*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_TAXID: 9606                                                 
*KEYWDS    MACROCYCLE, DE NOVO, DE NOVO PROTEIN                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER          
*REVDAT   1   27-DEC-17 6BEO    0                                                
# Restraints file 1: oliver_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Oliver peptide !
!Updated 102516 mds
!Oliver, 9mer pro PRO TYR his PRO LYS ASP LEU gln
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                    = 91 
!long range          (j-i >6)  = 5
!short range    (2 > j-i < 5)  = 18
!sequential          (i to j)  = 24
!intraresidue        (i to i)  = 44

!------------------------------------------------------------------------!
!*** Bacbone NOE***!
!HN-HA
 assign ( resid  1 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HA   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HA   ) ( resid  7 and name HN   ) 2.5 0.7 0.7

 assign ( resid  8 and name HA   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HA   ) ( resid  9 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6

!HN-HN
! assign ( resid  3 and name HN   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HN   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HN   ) ( resid  7 and name HN   ) 3.5 1.2 1.2
! assign ( resid  8 and name HN   ) ( resid  3 and name HN   ) 4.5 1.6 1.6
! assign ( resid  8 and name HN   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HN   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
! assign ( resid  9 and name HN   ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HN   ) ( resid  7 and name HN   ) 4.5 1.6 1.6

!HA-HA
 assign ( resid  9 and name HA   ) ( resid  3 and name HA   ) 4.5 1.6 1.6


! pro 1
 assign ( resid  1 and name HD2  ) ( resid  9 and name HA   ) 3.5 1.2 1.2
 assign ( resid  1 and name HD1  ) ( resid  1 and name HB2  ) 3.5 1.2 1.2
 assign ( resid  1 and name HD1  ) ( resid  1 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  1 and name HD1  ) ( resid  1 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  1 and name HD1  ) ( resid  9 and name HA   ) 3.5 1.2 1.2
 assign ( resid  1 and name HD2  ) ( resid  1 and name HA   ) 4.5 1.6 1.6
 assign ( resid  1 and name HD2  ) ( resid  9 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HD1  ) ( resid  1 and name HG1  ) 3.2 1.2 1.2
! assign ( resid  1 and name HG2  ) ( resid  6 and name HA   ) 4.5 1.6 1.6

! PRO 2
 assign ( resid  2 and name HD2  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
 assign ( resid  2 and name HD1  ) ( resid  2 and name HA   ) 4.5 1.6 1.6

! TYR 3
 assign ( resid  3 and name HA   ) ( resid  3 and name HD#  ) 3.5 1.2 1.2
 assign ( resid  3 and name HB#  ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HD#  ) ( resid  3 and name HN   ) 3.5 1.2 1.2
 assign ( resid  3 and name HA   ) ( resid  3 and name HE#  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HE#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6

! his 4
 assign ( resid  4 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
! assign ( resid  4 and name HB2  ) ( resid  9 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB1  ) ( resid  8 and name HB#  ) 3.5 1.2 1.2
 assign ( resid  4 and name HB1  ) ( resid  8 and name HG#  ) 4.5 1.6 1.6

 assign ( resid  4 and name HD2  ) ( resid  4 and name HE1  ) 4.5 1.6 1.6



! PRO 5
 assign ( resid  5 and name HD1  ) ( resid  5 and name HB2  ) 3.5 1.2 1.2
 assign ( resid  5 and name HD1  ) ( resid  5 and name HB1  ) 3.5 1.2 1.2
 assign ( resid  5 and name HB2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB1  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  4 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  5 and name HA   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD1  ) ( resid  5 and name HG2  ) 3.5 1.2 1.2
 assign ( resid  5 and name HD1  ) ( resid  5 and name HG1  ) 3.5 1.2 1.2
 assign ( resid  5 and name HG2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2  ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG#  ) ( resid  8 and name HG#  ) 4.5 1.6 1.6


! LYS 6
 assign ( resid  6 and name HA   ) ( resid  9 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  6 and name HG#  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HG#  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HB#  ) ( resid  6 and name HE#   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB#  ) ( resid  9 and name HE21 ) 4.5 1.6 1.6
! assign ( resid  6 and name HD#  ) ( resid  6 and name HE#   ) 3.5 1.2 1.2
 assign ( resid  6 and name HD#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
! assign ( resid  6 and name HG#  ) ( resid  6 and name HE#   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG#  ) ( resid  9 and name HE21 ) 4.5 1.6 1.6

! ASP 7
 assign ( resid  7 and name HB2  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HB1  ) ( resid  7 and name HN   ) 3.5 1.2 1.2
 assign ( resid  7 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6

! LEU 8
! assign ( resid  8 and name HB2  ) ( resid  3 and name HD#  ) 3.5 1.2 1.2
 assign ( resid  8 and name HB2  ) ( resid  8 and name HN   ) 3.5 1.2 1.2
! assign ( resid  8 and name HB1  ) ( resid  3 and name HD#  ) 3.5 1.2 1.2
! assign ( resid  8 and name HD#  ) ( resid  3 and name HD#  ) 3.5 1.2 1.2
 assign ( resid  8 and name HG#  ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  9 and name HE21 ) 4.5 1.6 1.6
! assign ( resid  8 and name HB1  ) ( resid  3 and name HE#  ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
! assign ( resid  8 and name HD#  ) ( resid  3 and name HE#  ) 4.5 1.6 1.6
! assign ( resid  8 and name HD#  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HD#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HD#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HD#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HD#  ) ( resid  9 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  8 and name HG#  ) ( resid  7 and name HN   ) 4.5 1.6 1.6

! gln 9
 assign ( resid  9 and name HE21 ) ( resid  9 and name HE22 ) 2.5 0.7 0.7
 assign ( resid  9 and name HB2  ) ( resid  9 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  9 and name HB2  ) ( resid  9 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HB1  ) ( resid  9 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HG#  ) ( resid  9 and name HN   ) 3.5 1.2 1.2
 assign ( resid  9 and name HA   ) ( resid  9 and name HE21 ) 4.5 1.6 1.6
! assign ( resid  9 and name HB2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
! assign ( resid  9 and name HB2  ) ( resid  6 and name HA   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HB1  ) ( resid  9 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  9 and name HG#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  9 and name HG#  ) ( resid  9 and name HE21 ) 3.5 1.2 1.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   DPR   1           HA       DPR   1  15.910  32.550  26.130
    2    HB2  DPR   1           HB1      DPR   1  14.030  32.150  28.460
    3    HB3  DPR   1           HB2      DPR   1  15.500  31.190  28.180
    4    HG2  DPR   1           HG1      DPR   1  13.140  30.080  27.460
    5    HG3  DPR   1           HG2      DPR   1  14.520  30.030  26.400
    6    HD2  DPR   1           HD1      DPR   1  12.190  31.940  26.310
    7    HD3  DPR   1           HD2      DPR   1  12.910  31.110  24.920
    8    HA   PRO   2           HA       PRO   2  16.210  35.580  29.620
    9    HB2  PRO   2           HB2      PRO   2  19.000  35.890  29.470
   10    HB3  PRO   2           HB1      PRO   2  18.020  34.700  30.410
   11    HG2  PRO   2           HG2      PRO   2  19.620  34.400  27.930
   12    HG3  PRO   2           HG1      PRO   2  19.280  33.230  29.240
   13    HD2  PRO   2           HD2      PRO   2  17.910  33.220  26.770
   14    HD3  PRO   2           HD1      PRO   2  17.420  32.390  28.190
   15    H    TYR   3           H        TYR   3  17.550  35.820  26.270
   16    HA   TYR   3           HA       TYR   3  16.810  38.600  26.120
   17    HB2  TYR   3           HB2      TYR   3  19.030  38.930  27.070
   18    HB3  TYR   3           HB1      TYR   3  19.740  37.680  26.100
   19    HD1  TYR   3           HD1      TYR   3  18.190  40.920  26.050
   20    HD2  TYR   3           HD2      TYR   3  20.700  38.160  24.110
   21    HE1  TYR   3           HE1      TYR   3  19.210  42.820  24.670
   22    HE2  TYR   3           HE2      TYR   3  21.590  39.920  22.510
   23    HH   TYR   3           HH       TYR   3  21.490  41.910  21.940
   24    H    DHI   4           H        DHI   4  16.300  38.940  24.270
   25    HA   DHI   4           HA       DHI   4  16.490  37.040  22.030
   26    HB2  DHI   4           HB1      DHI   4  17.770  38.710  20.700
   27    HB3  DHI   4           HB2      DHI   4  18.430  38.800  22.310
   28    HD1  DHI   4           HD1      DHI   4  16.290  40.910  23.540
   29    HD2  DHI   4           HD2      DHI   4  18.560  41.100  20.010
   30    HE1  DHI   4           HE1      DHI   4  16.060  43.280  22.760
   31    HE2  DHI   4           HE2      DHI   4  17.430  43.380  20.580
   32    HA   PRO   5           HA       PRO   5  13.320  39.900  20.050
   33    HB2  PRO   5           HB2      PRO   5  12.950  38.600  17.780
   34    HB3  PRO   5           HB1      PRO   5  14.440  39.630  18.030
   35    HG2  PRO   5           HG2      PRO   5  14.200  36.690  18.490
   36    HG3  PRO   5           HG1      PRO   5  15.330  37.610  17.330
   37    HD2  PRO   5           HD2      PRO   5  16.290  37.050  19.660
   38    HD3  PRO   5           HD1      PRO   5  16.320  38.790  19.140
   39    H    LYS   6           H        LYS   6  11.080  39.270  19.430
   40    HA   LYS   6           HA       LYS   6  10.180  38.200  21.780
   41    HB2  LYS   6           HB2      LYS   6   8.650  38.800  19.240
   42    HB3  LYS   6           HB1      LYS   6   7.830  38.560  20.730
   43    HG2  LYS   6           HG2      LYS   6   9.800  40.710  20.050
   44    HG3  LYS   6           HG1      LYS   6   7.950  40.860  20.250
   45    HD2  LYS   6           HD2      LYS   6   8.360  40.170  22.670
   46    HD3  LYS   6           HD1      LYS   6  10.090  40.210  22.370
   47    HE2  LYS   6           HE2      LYS   6   9.710  42.700  21.590
   48    HE3  LYS   6           HE1      LYS   6   8.020  42.450  22.160
   49    HZ1  LYS   6           HZ1      LYS   6   9.340  43.470  23.830
   50    HZ2  LYS   6           HZ2      LYS   6  10.220  42.180  24.030
   51    HZ3  LYS   6           HZ3      LYS   6   8.660  42.080  24.340
   52    H    ASP   7           H        ASP   7  10.290  36.480  18.700
   53    HA   ASP   7           HA       ASP   7   8.940  34.060  19.660
   54    HB2  ASP   7           HB2      ASP   7   9.230  33.370  17.410
   55    HB3  ASP   7           HB1      ASP   7   8.350  34.870  17.650
   56    H    LEU   8           H        LEU   8  12.150  35.320  19.770
   57    HA   LEU   8           HA       LEU   8  13.260  32.620  19.680
   58    HB2  LEU   8           HB2      LEU   8  14.700  34.530  18.890
   59    HB3  LEU   8           HB1      LEU   8  14.650  35.160  20.530
   60    HG   LEU   8           HG       LEU   8  15.700  33.030  21.350
   61   HD11  LEU   8          1HD1      LEU   8  16.940  31.740  19.690
   62   HD12  LEU   8          2HD1      LEU   8  16.150  32.740  18.360
   63   HD13  LEU   8          3HD1      LEU   8  15.190  31.620  19.260
   64   HD21  LEU   8          1HD2      LEU   8  17.590  34.490  19.580
   65   HD22  LEU   8          2HD2      LEU   8  17.820  33.550  20.910
   66   HD23  LEU   8          3HD2      LEU   8  17.020  35.080  21.200
   67    H    DGN   9           H        DGN   9  12.980  35.270  22.240
   68    HA   DGN   9           HA       DGN   9  12.150  33.480  24.230
   69    HB2  DGN   9           HB1      DGN   9  13.330  36.270  24.330
   70    HB3  DGN   9           HB2      DGN   9  12.730  35.410  25.780
   71    HG2  DGN   9           HG1      DGN   9  11.130  36.020  23.330
   72    HG3  DGN   9           HG2      DGN   9  11.100  36.960  24.840
   73   HE21  DGN   9          1HE2      DGN   9   9.150  35.040  23.220
   74   HE22  DGN   9          2HE2      DGN   9   8.540  34.200  24.760
  Start of MODEL    2
    1    HA   DPR   1           HA       DPR   1  16.380  32.925  25.547
    2    HB2  DPR   1           HB1      DPR   1  15.874  31.328  27.828
    3    HB3  DPR   1           HB2      DPR   1  16.258  30.893  26.127
    4    HG2  DPR   1           HG1      DPR   1  13.691  31.467  27.570
    5    HG3  DPR   1           HG2      DPR   1  13.919  29.969  26.527
    6    HD2  DPR   1           HD1      DPR   1  12.570  32.065  25.575
    7    HD3  DPR   1           HD2      DPR   1  13.857  31.425  24.619
    8    HA   PRO   2           HA       PRO   2  16.546  35.051  29.688
    9    HB2  PRO   2           HB2      PRO   2  19.415  35.642  28.894
   10    HB3  PRO   2           HB1      PRO   2  18.706  35.155  30.453
   11    HG2  PRO   2           HG2      PRO   2  19.905  33.114  29.175
   12    HG3  PRO   2           HG1      PRO   2  18.278  33.020  29.819
   13    HD2  PRO   2           HD2      PRO   2  18.899  33.667  26.981
   14    HD3  PRO   2           HD1      PRO   2  17.947  32.234  27.665
   15    H    TYR   3           H        TYR   3  17.632  36.000  26.593
   16    HA   TYR   3           HA       TYR   3  16.354  38.637  26.522
   17    HB2  TYR   3           HB2      TYR   3  18.185  39.444  27.628
   18    HB3  TYR   3           HB1      TYR   3  19.287  38.266  27.146
   19    HD1  TYR   3           HD1      TYR   3  17.540  41.317  26.200
   20    HD2  TYR   3           HD2      TYR   3  20.649  38.615  24.960
   21    HE1  TYR   3           HE1      TYR   3  18.066  42.838  24.406
   22    HE2  TYR   3           HE2      TYR   3  21.356  40.328  23.277
   23    HH   TYR   3           HH       TYR   3  20.909  42.347  22.324
   24    H    DHI   4           H        DHI   4  15.753  38.952  24.325
   25    HA   DHI   4           HA       DHI   4  16.719  37.065  22.404
   26    HB2  DHI   4           HB1      DHI   4  18.209  38.389  21.257
   27    HB3  DHI   4           HB2      DHI   4  18.338  39.088  22.882
   28    HD1  DHI   4           HD1      DHI   4  18.556  40.565  19.764
   29    HD2  DHI   4           HD2      DHI   4  16.276  41.315  23.225
   30    HE1  DHI   4           HE1      DHI   4  17.971  42.897  19.672
   31    HE2  DHI   4           HE2      DHI   4  16.646  43.425  21.896
   32    HA   PRO   5           HA       PRO   5  13.490  39.616  20.040
   33    HB2  PRO   5           HB2      PRO   5  13.035  38.014  17.890
   34    HB3  PRO   5           HB1      PRO   5  14.518  39.063  17.965
   35    HG2  PRO   5           HG2      PRO   5  14.292  36.224  18.812
   36    HG3  PRO   5           HG1      PRO   5  15.524  36.972  17.656
   37    HD2  PRO   5           HD2      PRO   5  16.163  36.636  20.374
   38    HD3  PRO   5           HD1      PRO   5  16.508  38.160  19.476
   39    H    LYS   6           H        LYS   6  11.330  39.222  19.439
   40    HA   LYS   6           HA       LYS   6   9.981  38.120  21.458
   41    HB2  LYS   6           HB2      LYS   6   8.872  38.942  18.630
   42    HB3  LYS   6           HB1      LYS   6   7.894  38.588  19.856
   43    HG2  LYS   6           HG2      LYS   6   8.911  40.455  21.234
   44    HG3  LYS   6           HG1      LYS   6  10.235  40.554  20.101
   45    HD2  LYS   6           HD2      LYS   6   9.156  41.666  18.391
   46    HD3  LYS   6           HD1      LYS   6   7.518  41.285  18.986
   47    HE2  LYS   6           HE2      LYS   6   7.990  42.655  21.064
   48    HE3  LYS   6           HE1      LYS   6   9.641  42.880  20.431
   49    HZ1  LYS   6           HZ1      LYS   6   7.155  43.916  19.177
   50    HZ2  LYS   6           HZ2      LYS   6   8.766  44.133  18.644
   51    HZ3  LYS   6           HZ3      LYS   6   8.180  44.683  20.017
   52    H    ASP   7           H        ASP   7  10.321  36.637  18.309
   53    HA   ASP   7           HA       ASP   7   8.714  34.399  19.184
   54    HB2  ASP   7           HB2      ASP   7  10.333  34.709  16.605
   55    HB3  ASP   7           HB1      ASP   7   9.228  33.395  16.890
   56    H    LEU   8           H        LEU   8  11.981  35.074  20.008
   57    HA   LEU   8           HA       LEU   8  12.566  32.130  20.442
   58    HB2  LEU   8           HB2      LEU   8  14.186  34.633  20.451
   59    HB3  LEU   8           HB1      LEU   8  14.788  32.925  20.756
   60    HG   LEU   8           HG       LEU   8  13.829  34.177  18.193
   61   HD11  LEU   8          1HD1      LEU   8  16.093  34.110  17.441
   62   HD12  LEU   8          2HD1      LEU   8  16.561  32.952  18.532
   63   HD13  LEU   8          3HD1      LEU   8  16.331  34.615  19.169
   64   HD21  LEU   8          1HD2      LEU   8  13.157  31.874  18.174
   65   HD22  LEU   8          2HD2      LEU   8  14.769  31.342  18.726
   66   HD23  LEU   8          3HD2      LEU   8  14.470  32.042  17.119
   67    H    DGN   9           H        DGN   9  12.817  35.162  22.014
   68    HA   DGN   9           HA       DGN   9  12.268  33.907  24.683
   69    HB2  DGN   9           HB1      DGN   9  13.324  36.630  24.126
   70    HB3  DGN   9           HB2      DGN   9  12.795  35.941  25.718
   71    HG2  DGN   9           HG1      DGN   9  11.093  36.743  23.193
   72    HG3  DGN   9           HG2      DGN   9  10.965  37.413  24.747
   73   HE21  DGN   9          1HE2      DGN   9   9.324  35.288  22.864
   74   HE22  DGN   9          2HE2      DGN   9   8.626  34.347  24.213
  Start of MODEL    3
    1    HA   DPR   1           HA       DPR   1  15.732  32.144  26.174
    2    HB2  DPR   1           HB1      DPR   1  14.932  31.974  28.797
    3    HB3  DPR   1           HB2      DPR   1  14.725  30.778  27.480
    4    HG2  DPR   1           HG1      DPR   1  12.631  32.703  28.643
    5    HG3  DPR   1           HG2      DPR   1  12.505  31.020  28.022
    6    HD2  DPR   1           HD1      DPR   1  11.860  33.344  26.695
    7    HD3  DPR   1           HD2      DPR   1  12.074  31.848  25.860
    8    HA   PRO   2           HA       PRO   2  16.424  35.053  29.369
    9    HB2  PRO   2           HB2      PRO   2  19.256  35.094  28.345
   10    HB3  PRO   2           HB1      PRO   2  18.654  34.870  30.064
   11    HG2  PRO   2           HG2      PRO   2  19.377  32.652  28.805
   12    HG3  PRO   2           HG1      PRO   2  17.824  32.714  29.596
   13    HD2  PRO   2           HD2      PRO   2  18.410  33.107  26.625
   14    HD3  PRO   2           HD1      PRO   2  17.307  32.040  27.468
   15    H    TYR   3           H        TYR   3  17.209  35.851  26.119
   16    HA   TYR   3           HA       TYR   3  16.561  38.719  26.334
   17    HB2  TYR   3           HB2      TYR   3  18.904  38.623  27.220
   18    HB3  TYR   3           HB1      TYR   3  19.337  37.970  25.580
   19    HD1  TYR   3           HD1      TYR   3  17.570  40.758  27.227
   20    HD2  TYR   3           HD2      TYR   3  20.146  39.415  24.075
   21    HE1  TYR   3           HE1      TYR   3  17.942  43.176  26.480
   22    HE2  TYR   3           HE2      TYR   3  20.224  41.789  23.146
   23    HH   TYR   3           HH       TYR   3  19.189  43.989  23.423
   24    H    DHI   4           H        DHI   4  16.079  39.592  24.243
   25    HA   DHI   4           HA       DHI   4  16.941  37.872  21.910
   26    HB2  DHI   4           HB1      DHI   4  17.603  39.586  20.643
   27    HB3  DHI   4           HB2      DHI   4  18.284  39.881  22.247
   28    HD1  DHI   4           HD1      DHI   4  16.081  41.526  19.548
   29    HD2  DHI   4           HD2      DHI   4  16.946  41.827  23.709
   30    HE1  DHI   4           HE1      DHI   4  15.657  43.925  20.267
   31    HE2  DHI   4           HE2      DHI   4  16.267  44.095  22.737
   32    HA   PRO   5           HA       PRO   5  13.504  39.412  19.404
   33    HB2  PRO   5           HB2      PRO   5  13.380  36.667  18.448
   34    HB3  PRO   5           HB1      PRO   5  13.420  38.075  17.449
   35    HG2  PRO   5           HG2      PRO   5  15.594  36.456  17.718
   36    HG3  PRO   5           HG1      PRO   5  15.760  38.228  17.636
   37    HD2  PRO   5           HD2      PRO   5  16.073  36.520  20.104
   38    HD3  PRO   5           HD1      PRO   5  16.842  38.006  19.495
   39    H    LYS   6           H        LYS   6  11.293  39.294  19.966
   40    HA   LYS   6           HA       LYS   6  10.314  37.782  22.071
   41    HB2  LYS   6           HB2      LYS   6   8.818  38.962  19.672
   42    HB3  LYS   6           HB1      LYS   6   8.039  38.543  21.253
   43    HG2  LYS   6           HG2      LYS   6   9.239  40.247  22.395
   44    HG3  LYS   6           HG1      LYS   6  10.029  40.698  20.931
   45    HD2  LYS   6           HD2      LYS   6   7.789  41.173  19.862
   46    HD3  LYS   6           HD1      LYS   6   6.952  40.737  21.305
   47    HE2  LYS   6           HE2      LYS   6   8.938  42.998  20.935
   48    HE3  LYS   6           HE1      LYS   6   7.183  43.090  20.872
   49    HZ1  LYS   6           HZ1      LYS   6   7.292  42.476  23.311
   50    HZ2  LYS   6           HZ2      LYS   6   8.272  43.711  22.986
   51    HZ3  LYS   6           HZ3      LYS   6   8.899  42.239  23.225
   52    H    ASP   7           H        ASP   7  10.759  36.660  18.827
   53    HA   ASP   7           HA       ASP   7   8.902  34.450  19.137
   54    HB2  ASP   7           HB2      ASP   7  11.227  34.775  17.228
   55    HB3  ASP   7           HB1      ASP   7  10.014  33.705  17.038
   56    H    LEU   8           H        LEU   8  12.154  35.142  19.975
   57    HA   LEU   8           HA       LEU   8  12.917  32.227  20.213
   58    HB2  LEU   8           HB2      LEU   8  14.608  34.723  20.699
   59    HB3  LEU   8           HB1      LEU   8  15.173  33.156  20.836
   60    HG   LEU   8           HG       LEU   8  15.017  34.646  18.422
   61   HD11  LEU   8          1HD1      LEU   8  16.994  33.423  19.490
   62   HD12  LEU   8          2HD1      LEU   8  16.778  33.468  17.823
   63   HD13  LEU   8          3HD1      LEU   8  16.308  31.949  18.645
   64   HD21  LEU   8          1HD2      LEU   8  13.141  33.336  17.720
   65   HD22  LEU   8          2HD2      LEU   8  14.094  31.783  18.081
   66   HD23  LEU   8          3HD2      LEU   8  14.603  32.916  16.820
   67    H    DGN   9           H        DGN   9  12.956  35.144  22.085
   68    HA   DGN   9           HA       DGN   9  12.005  34.270  24.602
   69    HB2  DGN   9           HB1      DGN   9  14.097  36.287  24.063
   70    HB3  DGN   9           HB2      DGN   9  13.197  36.188  25.590
   71    HG2  DGN   9           HG1      DGN   9  11.332  36.190  23.370
   72    HG3  DGN   9           HG2      DGN   9  12.465  37.553  23.322
   73   HE21  DGN   9          1HE2      DGN   9   9.750  36.074  25.080
   74   HE22  DGN   9          2HE2      DGN   9   9.632  37.276  26.319
  Start of MODEL    4
    1    HA   DPR   1           HA       DPR   1  16.045  32.864  25.684
    2    HB2  DPR   1           HB1      DPR   1  15.661  31.339  27.901
    3    HB3  DPR   1           HB2      DPR   1  15.106  30.710  26.335
    4    HG2  DPR   1           HG1      DPR   1  13.348  32.059  28.334
    5    HG3  DPR   1           HG2      DPR   1  13.069  30.543  27.323
    6    HD2  DPR   1           HD1      DPR   1  12.228  33.116  26.752
    7    HD3  DPR   1           HD2      DPR   1  12.593  31.844  25.509
    8    HA   PRO   2           HA       PRO   2  16.664  35.324  29.689
    9    HB2  PRO   2           HB2      PRO   2  19.317  35.788  29.351
   10    HB3  PRO   2           HB1      PRO   2  18.659  34.357  30.209
   11    HG2  PRO   2           HG2      PRO   2  19.761  34.457  27.394
   12    HG3  PRO   2           HG1      PRO   2  19.764  33.187  28.756
   13    HD2  PRO   2           HD2      PRO   2  18.172  33.358  26.492
   14    HD3  PRO   2           HD1      PRO   2  17.798  32.285  27.965
   15    H    TYR   3           H        TYR   3  18.129  35.872  26.397
   16    HA   TYR   3           HA       TYR   3  16.760  38.482  26.405
   17    HB2  TYR   3           HB2      TYR   3  19.108  38.758  27.244
   18    HB3  TYR   3           HB1      TYR   3  19.765  38.043  25.844
   19    HD1  TYR   3           HD1      TYR   3  17.285  40.792  26.756
   20    HD2  TYR   3           HD2      TYR   3  20.607  39.628  24.338
   21    HE1  TYR   3           HE1      TYR   3  17.432  43.141  25.777
   22    HE2  TYR   3           HE2      TYR   3  20.686  41.954  23.388
   23    HH   TYR   3           HH       TYR   3  19.972  43.955  23.420
   24    H    DHI   4           H        DHI   4  16.084  38.995  24.270
   25    HA   DHI   4           HA       DHI   4  16.463  37.079  22.082
   26    HB2  DHI   4           HB1      DHI   4  17.751  38.302  20.747
   27    HB3  DHI   4           HB2      DHI   4  18.358  38.661  22.274
   28    HD1  DHI   4           HD1      DHI   4  17.829  40.591  19.347
   29    HD2  DHI   4           HD2      DHI   4  16.903  41.014  23.436
   30    HE1  DHI   4           HE1      DHI   4  17.287  43.040  19.719
   31    HE2  DHI   4           HE2      DHI   4  16.703  43.341  22.158
   32    HA   PRO   5           HA       PRO   5  13.274  39.736  20.040
   33    HB2  PRO   5           HB2      PRO   5  12.601  38.126  17.904
   34    HB3  PRO   5           HB1      PRO   5  13.906  39.336  17.887
   35    HG2  PRO   5           HG2      PRO   5  13.876  36.372  18.505
   36    HG3  PRO   5           HG1      PRO   5  15.109  37.172  17.462
   37    HD2  PRO   5           HD2      PRO   5  15.832  36.689  20.054
   38    HD3  PRO   5           HD1      PRO   5  16.205  38.166  19.178
   39    H    LYS   6           H        LYS   6  10.991  39.172  19.641
   40    HA   LYS   6           HA       LYS   6   9.770  37.667  21.838
   41    HB2  LYS   6           HB2      LYS   6   8.257  38.612  19.391
   42    HB3  LYS   6           HB1      LYS   6   7.718  38.254  20.991
   43    HG2  LYS   6           HG2      LYS   6   8.928  40.082  21.946
   44    HG3  LYS   6           HG1      LYS   6   9.423  40.707  20.358
   45    HD2  LYS   6           HD2      LYS   6   7.408  41.810  20.961
   46    HD3  LYS   6           HD1      LYS   6   7.144  40.846  19.493
   47    HE2  LYS   6           HE2      LYS   6   5.938  39.175  20.897
   48    HE3  LYS   6           HE1      LYS   6   6.423  40.031  22.307
   49    HZ1  LYS   6           HZ1      LYS   6   4.556  41.057  20.182
   50    HZ2  LYS   6           HZ2      LYS   6   5.071  41.922  21.320
   51    HZ3  LYS   6           HZ3      LYS   6   4.160  40.638  21.756
   52    H    ASP   7           H        ASP   7  10.749  36.961  18.611
   53    HA   ASP   7           HA       ASP   7   9.311  34.386  18.345
   54    HB2  ASP   7           HB2      ASP   7  11.905  35.068  17.076
   55    HB3  ASP   7           HB1      ASP   7  10.608  33.980  16.508
   56    H    LEU   8           H        LEU   8  12.150  35.014  20.287
   57    HA   LEU   8           HA       LEU   8  12.691  32.113  20.410
   58    HB2  LEU   8           HB2      LEU   8  14.483  34.595  20.517
   59    HB3  LEU   8           HB1      LEU   8  15.019  32.956  21.011
   60    HG   LEU   8           HG       LEU   8  14.200  33.592  18.166
   61   HD11  LEU   8          1HD1      LEU   8  16.226  34.707  19.115
   62   HD12  LEU   8          2HD1      LEU   8  16.339  33.801  17.670
   63   HD13  LEU   8          3HD1      LEU   8  16.977  33.188  19.310
   64   HD21  LEU   8          1HD2      LEU   8  15.437  31.338  17.848
   65   HD22  LEU   8          2HD2      LEU   8  13.888  31.265  18.628
   66   HD23  LEU   8          3HD2      LEU   8  15.302  31.137  19.675
   67    H    DGN   9           H        DGN   9  12.714  35.284  22.253
   68    HA   DGN   9           HA       DGN   9  11.884  33.994  24.752
   69    HB2  DGN   9           HB1      DGN   9  12.875  36.745  23.934
   70    HB3  DGN   9           HB2      DGN   9  12.269  36.289  25.563
   71    HG2  DGN   9           HG1      DGN   9  10.663  36.440  23.092
   72    HG3  DGN   9           HG2      DGN   9  10.456  37.346  24.541
   73   HE21  DGN   9          1HE2      DGN   9   8.950  35.098  22.574
   74   HE22  DGN   9          2HE2      DGN   9   8.087  34.318  23.854
  Start of MODEL    5
    1    HA   DPR   1           HA       DPR   1  16.213  32.504  26.298
    2    HB2  DPR   1           HB1      DPR   1  14.388  31.465  28.473
    3    HB3  DPR   1           HB2      DPR   1  15.872  30.723  27.752
    4    HG2  DPR   1           HG1      DPR   1  13.210  30.136  27.074
    5    HG3  DPR   1           HG2      DPR   1  14.574  29.791  26.052
    6    HD2  DPR   1           HD1      DPR   1  12.558  31.820  25.853
    7    HD3  DPR   1           HD2      DPR   1  13.731  31.281  24.562
    8    HA   PRO   2           HA       PRO   2  16.269  35.587  29.769
    9    HB2  PRO   2           HB2      PRO   2  19.014  36.092  28.948
   10    HB3  PRO   2           HB1      PRO   2  18.313  35.732  30.500
   11    HG2  PRO   2           HG2      PRO   2  19.838  33.901  29.002
   12    HG3  PRO   2           HG1      PRO   2  18.535  33.325  30.130
   13    HD2  PRO   2           HD2      PRO   2  18.355  33.717  27.196
   14    HD3  PRO   2           HD1      PRO   2  17.688  32.392  28.119
   15    H    TYR   3           H        TYR   3  17.556  35.949  26.345
   16    HA   TYR   3           HA       TYR   3  16.288  38.519  26.055
   17    HB2  TYR   3           HB2      TYR   3  18.293  39.049  27.392
   18    HB3  TYR   3           HB1      TYR   3  19.293  38.183  26.237
   19    HD1  TYR   3           HD1      TYR   3  16.868  41.019  26.514
   20    HD2  TYR   3           HD2      TYR   3  20.249  39.348  24.254
   21    HE1  TYR   3           HE1      TYR   3  17.185  43.147  25.172
   22    HE2  TYR   3           HE2      TYR   3  20.395  41.440  23.039
   23    HH   TYR   3           HH       TYR   3  19.781  43.578  22.864
   24    H    DHI   4           H        DHI   4  16.385  39.272  24.003
   25    HA   DHI   4           HA       DHI   4  16.614  37.207  21.884
   26    HB2  DHI   4           HB1      DHI   4  18.206  37.977  20.739
   27    HB3  DHI   4           HB2      DHI   4  18.797  38.508  22.216
   28    HD1  DHI   4           HD1      DHI   4  19.586  39.950  19.430
   29    HD2  DHI   4           HD2      DHI   4  16.892  41.360  22.273
   30    HE1  DHI   4           HE1      DHI   4  19.258  42.403  18.908
   31    HE2  DHI   4           HE2      DHI   4  17.591  43.280  20.670
   32    HA   PRO   5           HA       PRO   5  13.453  39.797  20.024
   33    HB2  PRO   5           HB2      PRO   5  12.703  38.261  17.917
   34    HB3  PRO   5           HB1      PRO   5  14.126  39.375  17.918
   35    HG2  PRO   5           HG2      PRO   5  14.196  36.326  18.467
   36    HG3  PRO   5           HG1      PRO   5  15.150  37.372  17.363
   37    HD2  PRO   5           HD2      PRO   5  16.016  36.757  19.760
   38    HD3  PRO   5           HD1      PRO   5  16.354  38.388  18.946
   39    H    LYS   6           H        LYS   6  10.995  39.203  19.783
   40    HA   LYS   6           HA       LYS   6  10.394  37.500  22.038
   41    HB2  LYS   6           HB2      LYS   6   8.610  39.021  20.054
   42    HB3  LYS   6           HB1      LYS   6   8.093  38.160  21.495
   43    HG2  LYS   6           HG2      LYS   6   9.888  39.814  22.692
   44    HG3  LYS   6           HG1      LYS   6   9.873  40.659  21.242
   45    HD2  LYS   6           HD2      LYS   6   7.584  41.383  21.393
   46    HD3  LYS   6           HD1      LYS   6   7.256  40.355  22.769
   47    HE2  LYS   6           HE2      LYS   6   9.146  41.475  24.003
   48    HE3  LYS   6           HE1      LYS   6   9.626  42.245  22.592
   49    HZ1  LYS   6           HZ1      LYS   6   7.793  43.640  22.713
   50    HZ2  LYS   6           HZ2      LYS   6   7.887  43.311  24.368
   51    HZ3  LYS   6           HZ3      LYS   6   6.727  42.678  23.370
   52    H    ASP   7           H        ASP   7  10.201  37.011  18.627
   53    HA   ASP   7           HA       ASP   7   8.688  34.686  18.506
   54    HB2  ASP   7           HB2      ASP   7  11.178  35.104  16.978
   55    HB3  ASP   7           HB1      ASP   7   9.755  34.038  16.564
   56    H    LEU   8           H        LEU   8  11.643  35.131  20.009
   57    HA   LEU   8           HA       LEU   8  12.552  32.260  20.146
   58    HB2  LEU   8           HB2      LEU   8  14.279  34.692  20.062
   59    HB3  LEU   8           HB1      LEU   8  14.753  33.010  20.106
   60    HG   LEU   8           HG       LEU   8  13.399  34.331  17.807
   61   HD11  LEU   8          1HD1      LEU   8  15.301  34.135  16.627
   62   HD12  LEU   8          2HD1      LEU   8  15.974  32.906  17.686
   63   HD13  LEU   8          3HD1      LEU   8  15.899  34.620  18.274
   64   HD21  LEU   8          1HD2      LEU   8  13.758  32.294  16.529
   65   HD22  LEU   8          2HD2      LEU   8  12.663  31.828  17.779
   66   HD23  LEU   8          3HD2      LEU   8  14.462  31.475  17.876
   67    H    DGN   9           H        DGN   9  13.521  34.988  22.128
   68    HA   DGN   9           HA       DGN   9  12.386  33.732  24.516
   69    HB2  DGN   9           HB1      DGN   9  14.045  36.218  24.027
   70    HB3  DGN   9           HB2      DGN   9  13.586  35.567  25.633
   71    HG2  DGN   9           HG1      DGN   9  11.717  36.574  23.414
   72    HG3  DGN   9           HG2      DGN   9  12.126  37.440  24.893
   73   HE21  DGN   9          1HE2      DGN   9   9.441  36.009  23.683
   74   HE22  DGN   9          2HE2      DGN   9   8.899  35.266  25.036
  Start of MODEL    6
    1    HA   DPR   1           HA       DPR   1  15.908  32.318  26.226
    2    HB2  DPR   1           HB1      DPR   1  13.864  32.168  28.391
    3    HB3  DPR   1           HB2      DPR   1  15.202  31.008  28.099
    4    HG2  DPR   1           HG1      DPR   1  12.864  30.284  27.216
    5    HG3  DPR   1           HG2      DPR   1  14.262  30.089  26.096
    6    HD2  DPR   1           HD1      DPR   1  12.127  32.232  25.994
    7    HD3  DPR   1           HD2      DPR   1  12.926  31.317  24.685
    8    HA   PRO   2           HA       PRO   2  16.151  35.356  29.423
    9    HB2  PRO   2           HB2      PRO   2  19.044  35.460  28.521
   10    HB3  PRO   2           HB1      PRO   2  18.445  35.369  30.253
   11    HG2  PRO   2           HG2      PRO   2  19.543  33.384  28.821
   12    HG3  PRO   2           HG1      PRO   2  18.125  32.974  29.843
   13    HD2  PRO   2           HD2      PRO   2  18.268  33.315  26.766
   14    HD3  PRO   2           HD1      PRO   2  17.320  32.248  27.681
   15    H    TYR   3           H        TYR   3  17.454  35.733  26.210
   16    HA   TYR   3           HA       TYR   3  16.879  38.713  26.216
   17    HB2  TYR   3           HB2      TYR   3  19.092  38.576  27.267
   18    HB3  TYR   3           HB1      TYR   3  19.662  37.523  26.015
   19    HD1  TYR   3           HD1      TYR   3  17.937  40.657  26.875
   20    HD2  TYR   3           HD2      TYR   3  20.861  39.013  24.170
   21    HE1  TYR   3           HE1      TYR   3  18.194  42.885  25.806
   22    HE2  TYR   3           HE2      TYR   3  20.979  40.967  23.025
   23    HH   TYR   3           HH       TYR   3  20.503  43.316  23.029
   24    H    DHI   4           H        DHI   4  16.474  39.353  24.132
   25    HA   DHI   4           HA       DHI   4  16.976  37.511  21.841
   26    HB2  DHI   4           HB1      DHI   4  17.979  39.079  20.627
   27    HB3  DHI   4           HB2      DHI   4  18.639  39.437  22.147
   28    HD1  DHI   4           HD1      DHI   4  17.251  41.271  19.347
   29    HD2  DHI   4           HD2      DHI   4  16.741  41.421  23.490
   30    HE1  DHI   4           HE1      DHI   4  16.065  43.438  19.774
   31    HE2  DHI   4           HE2      DHI   4  16.051  43.754  22.302
   32    HA   PRO   5           HA       PRO   5  13.468  39.968  20.165
   33    HB2  PRO   5           HB2      PRO   5  12.935  38.664  17.856
   34    HB3  PRO   5           HB1      PRO   5  14.332  39.677  18.015
   35    HG2  PRO   5           HG2      PRO   5  14.096  36.737  18.459
   36    HG3  PRO   5           HG1      PRO   5  15.323  37.596  17.381
   37    HD2  PRO   5           HD2      PRO   5  15.875  36.746  19.867
   38    HD3  PRO   5           HD1      PRO   5  16.546  38.271  19.283
   39    H    LYS   6           H        LYS   6  11.135  39.447  20.017
   40    HA   LYS   6           HA       LYS   6   9.873  37.496  21.761
   41    HB2  LYS   6           HB2      LYS   6   8.913  38.988  19.364
   42    HB3  LYS   6           HB1      LYS   6   7.902  37.860  20.268
   43    HG2  LYS   6           HG2      LYS   6   8.327  39.134  22.283
   44    HG3  LYS   6           HG1      LYS   6   9.480  40.206  21.501
   45    HD2  LYS   6           HD2      LYS   6   7.530  40.748  19.787
   46    HD3  LYS   6           HD1      LYS   6   6.500  40.204  21.179
   47    HE2  LYS   6           HE2      LYS   6   7.561  41.686  22.654
   48    HE3  LYS   6           HE1      LYS   6   8.523  42.370  21.307
   49    HZ1  LYS   6           HZ1      LYS   6   6.552  43.164  20.228
   50    HZ2  LYS   6           HZ2      LYS   6   6.342  43.625  21.802
   51    HZ3  LYS   6           HZ3      LYS   6   5.616  42.335  21.191
   52    H    ASP   7           H        ASP   7  11.051  37.048  18.320
   53    HA   ASP   7           HA       ASP   7   9.536  34.806  17.967
   54    HB2  ASP   7           HB2      ASP   7  12.148  35.582  16.642
   55    HB3  ASP   7           HB1      ASP   7  10.950  34.568  16.017
   56    H    LEU   8           H        LEU   8  12.299  35.281  20.000
   57    HA   LEU   8           HA       LEU   8  12.891  32.451  19.875
   58    HB2  LEU   8           HB2      LEU   8  14.701  34.713  20.565
   59    HB3  LEU   8           HB1      LEU   8  15.214  33.091  20.686
   60    HG   LEU   8           HG       LEU   8  14.417  34.227  17.976
   61   HD11  LEU   8          1HD1      LEU   8  16.869  33.711  17.546
   62   HD12  LEU   8          2HD1      LEU   8  17.034  33.848  19.361
   63   HD13  LEU   8          3HD1      LEU   8  16.445  35.139  18.371
   64   HD21  LEU   8          1HD2      LEU   8  15.474  32.028  17.200
   65   HD22  LEU   8          2HD2      LEU   8  13.913  31.860  18.043
   66   HD23  LEU   8          3HD2      LEU   8  15.409  31.425  18.870
   67    H    DGN   9           H        DGN   9  12.751  35.132  22.096
   68    HA   DGN   9           HA       DGN   9  12.000  33.691  24.389
   69    HB2  DGN   9           HB1      DGN   9  13.241  36.447  23.939
   70    HB3  DGN   9           HB2      DGN   9  12.602  36.047  25.469
   71    HG2  DGN   9           HG1      DGN   9  10.775  35.748  23.142
   72    HG3  DGN   9           HG2      DGN   9  11.005  37.187  24.189
   73   HE21  DGN   9          1HE2      DGN   9   9.339  34.210  23.909
   74   HE22  DGN   9          2HE2      DGN   9   8.969  33.810  25.534
  Start of MODEL    7
    1    HA   DPR   1           HA       DPR   1  16.048  32.457  26.098
    2    HB2  DPR   1           HB1      DPR   1  14.831  31.886  28.592
    3    HB3  DPR   1           HB2      DPR   1  15.429  30.715  27.383
    4    HG2  DPR   1           HG1      DPR   1  12.688  31.745  27.946
    5    HG3  DPR   1           HG2      DPR   1  13.183  30.205  27.134
    6    HD2  DPR   1           HD1      DPR   1  11.996  32.411  25.900
    7    HD3  DPR   1           HD2      DPR   1  13.190  31.484  24.998
    8    HA   PRO   2           HA       PRO   2  16.632  35.222  29.767
    9    HB2  PRO   2           HB2      PRO   2  19.311  35.089  28.465
   10    HB3  PRO   2           HB1      PRO   2  18.956  35.254  30.179
   11    HG2  PRO   2           HG2      PRO   2  19.580  32.785  29.086
   12    HG3  PRO   2           HG1      PRO   2  18.107  32.897  30.123
   13    HD2  PRO   2           HD2      PRO   2  18.344  33.183  27.126
   14    HD3  PRO   2           HD1      PRO   2  17.361  32.008  28.080
   15    H    TYR   3           H        TYR   3  17.484  35.888  26.395
   16    HA   TYR   3           HA       TYR   3  16.277  38.435  26.424
   17    HB2  TYR   3           HB2      TYR   3  18.539  38.988  27.388
   18    HB3  TYR   3           HB1      TYR   3  19.328  38.201  26.245
   19    HD1  TYR   3           HD1      TYR   3  16.593  41.032  26.581
   20    HD2  TYR   3           HD2      TYR   3  20.161  39.676  24.715
   21    HE1  TYR   3           HE1      TYR   3  16.805  43.174  25.498
   22    HE2  TYR   3           HE2      TYR   3  20.507  41.871  23.656
   23    HH   TYR   3           HH       TYR   3  19.505  43.991  23.369
   24    H    DHI   4           H        DHI   4  15.740  39.120  24.115
   25    HA   DHI   4           HA       DHI   4  16.497  37.276  22.006
   26    HB2  DHI   4           HB1      DHI   4  17.843  38.733  20.958
   27    HB3  DHI   4           HB2      DHI   4  18.329  39.041  22.619
   28    HD1  DHI   4           HD1      DHI   4  17.867  41.150  19.777
   29    HD2  DHI   4           HD2      DHI   4  16.140  41.177  23.559
   30    HE1  DHI   4           HE1      DHI   4  16.605  43.428  20.023
   31    HE2  DHI   4           HE2      DHI   4  15.821  43.429  22.461
   32    HA   PRO   5           HA       PRO   5  13.236  39.758  19.946
   33    HB2  PRO   5           HB2      PRO   5  13.115  38.581  17.553
   34    HB3  PRO   5           HB1      PRO   5  14.378  39.824  18.031
   35    HG2  PRO   5           HG2      PRO   5  14.518  36.737  18.094
   36    HG3  PRO   5           HG1      PRO   5  15.738  37.752  17.284
   37    HD2  PRO   5           HD2      PRO   5  16.092  36.853  19.756
   38    HD3  PRO   5           HD1      PRO   5  16.649  38.514  19.236
   39    H    LYS   6           H        LYS   6  11.223  39.348  19.719
   40    HA   LYS   6           HA       LYS   6  10.413  37.910  21.843
   41    HB2  LYS   6           HB2      LYS   6   8.261  38.688  19.796
   42    HB3  LYS   6           HB1      LYS   6   8.086  38.272  21.394
   43    HG2  LYS   6           HG2      LYS   6  10.070  40.516  20.856
   44    HG3  LYS   6           HG1      LYS   6   8.304  40.749  20.841
   45    HD2  LYS   6           HD2      LYS   6   7.895  39.998  22.842
   46    HD3  LYS   6           HD1      LYS   6   9.488  39.310  23.206
   47    HE2  LYS   6           HE2      LYS   6  10.550  41.520  23.387
   48    HE3  LYS   6           HE1      LYS   6   9.170  42.347  22.734
   49    HZ1  LYS   6           HZ1      LYS   6   7.914  41.469  24.701
   50    HZ2  LYS   6           HZ2      LYS   6   9.149  42.602  25.054
   51    HZ3  LYS   6           HZ3      LYS   6   9.316  41.126  25.391
   52    H    ASP   7           H        ASP   7  10.552  36.619  18.538
   53    HA   ASP   7           HA       ASP   7   8.723  34.449  18.947
   54    HB2  ASP   7           HB2      ASP   7  10.098  33.445  17.086
   55    HB3  ASP   7           HB1      ASP   7   9.105  34.866  16.828
   56    H    LEU   8           H        LEU   8  12.200  34.955  19.932
   57    HA   LEU   8           HA       LEU   8  12.782  32.094  20.200
   58    HB2  LEU   8           HB2      LEU   8  14.522  34.635  20.266
   59    HB3  LEU   8           HB1      LEU   8  14.946  32.883  20.253
   60    HG   LEU   8           HG       LEU   8  13.640  34.591  18.150
   61   HD11  LEU   8          1HD1      LEU   8  15.775  34.291  16.788
   62   HD12  LEU   8          2HD1      LEU   8  16.380  33.359  18.141
   63   HD13  LEU   8          3HD1      LEU   8  16.017  35.022  18.416
   64   HD21  LEU   8          1HD2      LEU   8  14.479  31.710  17.702
   65   HD22  LEU   8          2HD2      LEU   8  13.822  32.876  16.544
   66   HD23  LEU   8          3HD2      LEU   8  12.771  32.369  17.870
   67    H    DGN   9           H        DGN   9  13.189  35.074  21.955
   68    HA   DGN   9           HA       DGN   9  12.189  34.313  24.534
   69    HB2  DGN   9           HB1      DGN   9  14.162  36.274  23.508
   70    HB3  DGN   9           HB2      DGN   9  13.784  36.202  25.283
   71    HG2  DGN   9           HG1      DGN   9  12.021  36.713  22.878
   72    HG3  DGN   9           HG2      DGN   9  12.599  37.967  24.008
   73   HE21  DGN   9          1HE2      DGN   9   9.887  36.405  23.131
   74   HE22  DGN   9          2HE2      DGN   9   9.006  36.613  24.652
  Start of MODEL    8
    1    HA   DPR   1           HA       DPR   1  15.676  32.388  26.273
    2    HB2  DPR   1           HB1      DPR   1  13.714  32.333  28.657
    3    HB3  DPR   1           HB2      DPR   1  14.886  31.147  28.202
    4    HG2  DPR   1           HG1      DPR   1  12.275  30.867  27.542
    5    HG3  DPR   1           HG2      DPR   1  13.334  30.404  26.332
    6    HD2  DPR   1           HD1      DPR   1  11.882  33.009  26.502
    7    HD3  DPR   1           HD2      DPR   1  12.393  32.012  25.011
    8    HA   PRO   2           HA       PRO   2  16.595  35.250  29.648
    9    HB2  PRO   2           HB2      PRO   2  19.229  35.269  28.209
   10    HB3  PRO   2           HB1      PRO   2  18.916  35.302  29.979
   11    HG2  PRO   2           HG2      PRO   2  19.476  32.903  28.959
   12    HG3  PRO   2           HG1      PRO   2  18.016  33.147  30.002
   13    HD2  PRO   2           HD2      PRO   2  18.088  32.960  26.969
   14    HD3  PRO   2           HD1      PRO   2  17.180  32.003  28.094
   15    H    TYR   3           H        TYR   3  17.588  35.665  26.235
   16    HA   TYR   3           HA       TYR   3  16.445  38.380  26.027
   17    HB2  TYR   3           HB2      TYR   3  18.690  38.777  27.198
   18    HB3  TYR   3           HB1      TYR   3  19.497  37.798  25.922
   19    HD1  TYR   3           HD1      TYR   3  17.519  40.739  26.656
   20    HD2  TYR   3           HD2      TYR   3  20.334  38.922  24.081
   21    HE1  TYR   3           HE1      TYR   3  17.930  43.011  25.450
   22    HE2  TYR   3           HE2      TYR   3  20.805  41.136  22.915
   23    HH   TYR   3           HH       TYR   3  20.193  43.415  22.940
   24    H    DHI   4           H        DHI   4  15.862  38.884  23.968
   25    HA   DHI   4           HA       DHI   4  16.440  36.950  21.925
   26    HB2  DHI   4           HB1      DHI   4  17.732  38.017  20.670
   27    HB3  DHI   4           HB2      DHI   4  18.504  38.318  22.157
   28    HD1  DHI   4           HD1      DHI   4  18.865  40.054  19.560
   29    HD2  DHI   4           HD2      DHI   4  16.595  41.145  22.953
   30    HE1  DHI   4           HE1      DHI   4  18.565  42.664  19.538
   31    HE2  DHI   4           HE2      DHI   4  17.239  43.209  21.517
   32    HA   PRO   5           HA       PRO   5  13.341  39.923  20.010
   33    HB2  PRO   5           HB2      PRO   5  12.698  38.417  17.877
   34    HB3  PRO   5           HB1      PRO   5  14.149  39.656  17.840
   35    HG2  PRO   5           HG2      PRO   5  14.152  36.697  18.174
   36    HG3  PRO   5           HG1      PRO   5  15.229  37.744  17.159
   37    HD2  PRO   5           HD2      PRO   5  15.998  36.931  19.605
   38    HD3  PRO   5           HD1      PRO   5  16.403  38.556  18.985
   39    H    LYS   6           H        LYS   6  10.961  39.251  19.753
   40    HA   LYS   6           HA       LYS   6  10.294  37.707  22.060
   41    HB2  LYS   6           HB2      LYS   6   8.259  38.489  20.033
   42    HB3  LYS   6           HB1      LYS   6   8.075  37.962  21.707
   43    HG2  LYS   6           HG2      LYS   6   9.700  40.512  20.974
   44    HG3  LYS   6           HG1      LYS   6   7.990  40.523  20.850
   45    HD2  LYS   6           HD2      LYS   6   8.082  39.816  23.397
   46    HD3  LYS   6           HD1      LYS   6   9.816  40.013  23.239
   47    HE2  LYS   6           HE2      LYS   6   9.682  42.237  22.574
   48    HE3  LYS   6           HE1      LYS   6   7.914  42.336  22.678
   49    HZ1  LYS   6           HZ1      LYS   6   8.194  42.045  25.127
   50    HZ2  LYS   6           HZ2      LYS   6   9.241  43.143  24.668
   51    HZ3  LYS   6           HZ3      LYS   6   9.784  41.669  24.878
   52    H    ASP   7           H        ASP   7  10.577  36.553  18.803
   53    HA   ASP   7           HA       ASP   7   9.108  34.030  19.354
   54    HB2  ASP   7           HB2      ASP   7  10.144  33.679  16.933
   55    HB3  ASP   7           HB1      ASP   7   8.706  34.680  17.192
   56    H    LEU   8           H        LEU   8  12.086  35.253  19.861
   57    HA   LEU   8           HA       LEU   8  13.272  32.569  20.062
   58    HB2  LEU   8           HB2      LEU   8  14.473  34.813  19.032
   59    HB3  LEU   8           HB1      LEU   8  14.805  35.216  20.686
   60    HG   LEU   8           HG       LEU   8  16.523  34.295  19.303
   61   HD11  LEU   8          1HD1      LEU   8  17.605  33.211  21.205
   62   HD12  LEU   8          2HD1      LEU   8  16.140  32.433  21.678
   63   HD13  LEU   8          3HD1      LEU   8  16.406  34.177  21.887
   64   HD21  LEU   8          1HD2      LEU   8  15.255  32.557  17.967
   65   HD22  LEU   8          2HD2      LEU   8  15.165  31.644  19.491
   66   HD23  LEU   8          3HD2      LEU   8  16.779  32.131  18.731
   67    H    DGN   9           H        DGN   9  13.258  35.550  22.174
   68    HA   DGN   9           HA       DGN   9  12.080  34.430  24.426
   69    HB2  DGN   9           HB1      DGN   9  14.095  36.541  24.014
   70    HB3  DGN   9           HB2      DGN   9  13.694  36.089  25.650
   71    HG2  DGN   9           HG1      DGN   9  11.765  37.224  23.487
   72    HG3  DGN   9           HG2      DGN   9  12.114  37.899  25.045
   73   HE21  DGN   9          1HE2      DGN   9   9.952  35.782  23.249
   74   HE22  DGN   9          2HE2      DGN   9   9.084  35.293  24.717
  Start of MODEL    9
    1    HA   DPR   1           HA       DPR   1  15.826  32.309  26.193
    2    HB2  DPR   1           HB1      DPR   1  14.514  31.871  28.799
    3    HB3  DPR   1           HB2      DPR   1  15.429  30.692  27.800
    4    HG2  DPR   1           HG1      DPR   1  12.770  30.566  27.924
    5    HG3  DPR   1           HG2      DPR   1  13.731  29.989  26.539
    6    HD2  DPR   1           HD1      DPR   1  11.942  32.287  26.520
    7    HD3  DPR   1           HD2      DPR   1  12.682  31.473  25.160
    8    HA   PRO   2           HA       PRO   2  16.727  35.109  29.586
    9    HB2  PRO   2           HB2      PRO   2  19.499  35.402  28.281
   10    HB3  PRO   2           HB1      PRO   2  19.074  35.263  29.990
   11    HG2  PRO   2           HG2      PRO   2  19.844  33.115  28.552
   12    HG3  PRO   2           HG1      PRO   2  18.542  32.998  29.849
   13    HD2  PRO   2           HD2      PRO   2  18.405  33.259  26.789
   14    HD3  PRO   2           HD1      PRO   2  17.511  32.160  27.929
   15    H    TYR   3           H        TYR   3  17.553  35.741  26.150
   16    HA   TYR   3           HA       TYR   3  16.527  38.479  26.379
   17    HB2  TYR   3           HB2      TYR   3  19.017  38.490  27.133
   18    HB3  TYR   3           HB1      TYR   3  19.399  37.696  25.752
   19    HD1  TYR   3           HD1      TYR   3  17.273  40.767  26.552
   20    HD2  TYR   3           HD2      TYR   3  20.462  39.030  24.223
   21    HE1  TYR   3           HE1      TYR   3  17.707  42.972  25.540
   22    HE2  TYR   3           HE2      TYR   3  20.739  41.254  23.028
   23    HH   TYR   3           HH       TYR   3  20.309  43.424  23.260
   24    H    DHI   4           H        DHI   4  16.081  39.325  24.224
   25    HA   DHI   4           HA       DHI   4  17.001  37.808  21.841
   26    HB2  DHI   4           HB1      DHI   4  17.425  39.900  20.772
   27    HB3  DHI   4           HB2      DHI   4  18.355  39.843  22.265
   28    HD1  DHI   4           HD1      DHI   4  15.158  41.000  23.529
   29    HD2  DHI   4           HD2      DHI   4  17.809  42.548  20.647
   30    HE1  DHI   4           HE1      DHI   4  14.563  43.415  23.237
   31    HE2  DHI   4           HE2      DHI   4  16.369  44.423  21.652
   32    HA   PRO   5           HA       PRO   5  13.447  39.855  19.858
   33    HB2  PRO   5           HB2      PRO   5  12.926  38.133  17.730
   34    HB3  PRO   5           HB1      PRO   5  14.190  39.322  17.762
   35    HG2  PRO   5           HG2      PRO   5  14.445  36.324  18.506
   36    HG3  PRO   5           HG1      PRO   5  15.491  37.352  17.484
   37    HD2  PRO   5           HD2      PRO   5  16.089  36.792  20.037
   38    HD3  PRO   5           HD1      PRO   5  16.473  38.401  19.266
   39    H    LYS   6           H        LYS   6  11.151  39.288  19.451
   40    HA   LYS   6           HA       LYS   6  10.023  38.036  21.720
   41    HB2  LYS   6           HB2      LYS   6   8.773  38.838  19.187
   42    HB3  LYS   6           HB1      LYS   6   7.854  38.122  20.541
   43    HG2  LYS   6           HG2      LYS   6   9.769  40.447  21.199
   44    HG3  LYS   6           HG1      LYS   6   8.461  40.819  20.070
   45    HD2  LYS   6           HD2      LYS   6   6.868  39.996  21.871
   46    HD3  LYS   6           HD1      LYS   6   8.168  39.594  22.965
   47    HE2  LYS   6           HE2      LYS   6   8.903  41.907  22.902
   48    HE3  LYS   6           HE1      LYS   6   7.684  42.444  21.763
   49    HZ1  LYS   6           HZ1      LYS   6   6.085  41.433  23.439
   50    HZ2  LYS   6           HZ2      LYS   6   6.808  42.818  24.031
   51    HZ3  LYS   6           HZ3      LYS   6   7.288  41.326  24.422
   52    H    ASP   7           H        ASP   7  10.277  36.639  18.409
   53    HA   ASP   7           HA       ASP   7   8.879  34.268  18.954
   54    HB2  ASP   7           HB2      ASP   7  11.039  34.887  17.073
   55    HB3  ASP   7           HB1      ASP   7   9.826  33.548  16.933
   56    H    LEU   8           H        LEU   8  11.969  35.106  20.274
   57    HA   LEU   8           HA       LEU   8  12.846  32.360  19.991
   58    HB2  LEU   8           HB2      LEU   8  14.207  34.905  20.081
   59    HB3  LEU   8           HB1      LEU   8  14.973  33.669  21.137
   60    HG   LEU   8           HG       LEU   8  15.976  33.919  18.778
   61   HD11  LEU   8          1HD1      LEU   8  16.173  31.511  18.421
   62   HD12  LEU   8          2HD1      LEU   8  14.778  31.155  19.336
   63   HD13  LEU   8          3HD1      LEU   8  16.221  31.808  20.154
   64   HD21  LEU   8          1HD2      LEU   8  13.852  32.309  17.533
   65   HD22  LEU   8          2HD2      LEU   8  14.975  33.208  16.853
   66   HD23  LEU   8          3HD2      LEU   8  13.640  34.127  17.652
   67    H    DGN   9           H        DGN   9  12.684  35.110  22.361
   68    HA   DGN   9           HA       DGN   9  11.930  33.740  24.596
   69    HB2  DGN   9           HB1      DGN   9  13.356  36.336  24.230
   70    HB3  DGN   9           HB2      DGN   9  12.697  35.824  25.790
   71    HG2  DGN   9           HG1      DGN   9  10.449  35.764  24.909
   72    HG3  DGN   9           HG2      DGN   9  10.994  35.981  23.283
   73   HE21  DGN   9          1HE2      DGN   9  12.384  38.226  22.897
   74   HE22  DGN   9          2HE2      DGN   9  11.651  39.608  23.569
  Start of MODEL   10
    1    HA   DPR   1           HA       DPR   1  15.838  32.469  26.041
    2    HB2  DPR   1           HB1      DPR   1  14.044  31.674  28.356
    3    HB3  DPR   1           HB2      DPR   1  15.358  30.782  27.523
    4    HG2  DPR   1           HG1      DPR   1  12.675  30.454  26.993
    5    HG3  DPR   1           HG2      DPR   1  14.004  30.254  25.739
    6    HD2  DPR   1           HD1      DPR   1  11.977  32.548  26.352
    7    HD3  DPR   1           HD2      DPR   1  12.512  31.809  24.781
    8    HA   PRO   2           HA       PRO   2  16.549  35.304  29.598
    9    HB2  PRO   2           HB2      PRO   2  19.275  35.309  28.478
   10    HB3  PRO   2           HB1      PRO   2  18.621  35.214  30.204
   11    HG2  PRO   2           HG2      PRO   2  19.648  32.954  29.017
   12    HG3  PRO   2           HG1      PRO   2  18.359  32.962  30.198
   13    HD2  PRO   2           HD2      PRO   2  18.151  32.949  27.100
   14    HD3  PRO   2           HD1      PRO   2  17.342  31.877  28.164
   15    H    TYR   3           H        TYR   3  17.526  35.595  26.177
   16    HA   TYR   3           HA       TYR   3  16.578  38.431  26.192
   17    HB2  TYR   3           HB2      TYR   3  18.734  38.387  27.302
   18    HB3  TYR   3           HB1      TYR   3  19.493  37.595  25.957
   19    HD1  TYR   3           HD1      TYR   3  17.681  40.482  27.110
   20    HD2  TYR   3           HD2      TYR   3  20.579  39.246  24.257
   21    HE1  TYR   3           HE1      TYR   3  17.845  42.863  26.314
   22    HE2  TYR   3           HE2      TYR   3  20.867  41.533  23.513
   23    HH   TYR   3           HH       TYR   3  19.994  43.973  23.918
   24    H    DHI   4           H        DHI   4  15.863  38.877  24.185
   25    HA   DHI   4           HA       DHI   4  16.680  37.451  21.724
   26    HB2  DHI   4           HB1      DHI   4  17.743  39.236  20.726
   27    HB3  DHI   4           HB2      DHI   4  18.401  39.123  22.262
   28    HD1  DHI   4           HD1      DHI   4  15.851  40.889  23.642
   29    HD2  DHI   4           HD2      DHI   4  18.418  41.819  20.424
   30    HE1  DHI   4           HE1      DHI   4  15.553  43.382  23.174
   31    HE2  DHI   4           HE2      DHI   4  17.040  43.922  21.159
   32    HA   PRO   5           HA       PRO   5  13.188  39.737  19.833
   33    HB2  PRO   5           HB2      PRO   5  13.447  37.422  18.054
   34    HB3  PRO   5           HB1      PRO   5  13.093  39.087  17.596
   35    HG2  PRO   5           HG2      PRO   5  15.533  37.822  17.091
   36    HG3  PRO   5           HG1      PRO   5  15.464  39.499  17.814
   37    HD2  PRO   5           HD2      PRO   5  15.491  36.823  19.197
   38    HD3  PRO   5           HD1      PRO   5  16.749  38.078  19.577
   39    H    LYS   6           H        LYS   6  11.057  39.187  19.687
   40    HA   LYS   6           HA       LYS   6  10.062  37.794  21.981
   41    HB2  LYS   6           HB2      LYS   6   8.724  38.704  19.516
   42    HB3  LYS   6           HB1      LYS   6   7.903  38.140  20.956
   43    HG2  LYS   6           HG2      LYS   6   9.742  40.538  20.972
   44    HG3  LYS   6           HG1      LYS   6   7.904  40.560  20.891
   45    HD2  LYS   6           HD2      LYS   6   7.565  39.712  23.020
   46    HD3  LYS   6           HD1      LYS   6   9.338  39.463  23.165
   47    HE2  LYS   6           HE2      LYS   6   9.595  41.985  23.068
   48    HE3  LYS   6           HE1      LYS   6   7.896  42.127  22.711
   49    HZ1  LYS   6           HZ1      LYS   6   7.646  40.827  24.959
   50    HZ2  LYS   6           HZ2      LYS   6   7.943  42.360  25.071
   51    HZ3  LYS   6           HZ3      LYS   6   9.191  41.439  25.203
   52    H    ASP   7           H        ASP   7  10.382  36.778  18.629
   53    HA   ASP   7           HA       ASP   7   9.096  34.237  18.974
   54    HB2  ASP   7           HB2      ASP   7  11.280  35.137  17.099
   55    HB3  ASP   7           HB1      ASP   7  10.441  33.611  16.915
   56    H    LEU   8           H        LEU   8  12.094  35.307  20.134
   57    HA   LEU   8           HA       LEU   8  13.220  32.499  20.325
   58    HB2  LEU   8           HB2      LEU   8  14.339  35.175  20.418
   59    HB3  LEU   8           HB1      LEU   8  15.167  34.003  21.346
   60    HG   LEU   8           HG       LEU   8  16.198  34.357  19.205
   61   HD11  LEU   8          1HD1      LEU   8  16.069  31.978  18.109
   62   HD12  LEU   8          2HD1      LEU   8  14.960  31.621  19.377
   63   HD13  LEU   8          3HD1      LEU   8  16.580  32.044  19.868
   64   HD21  LEU   8          1HD2      LEU   8  13.773  33.194  17.872
   65   HD22  LEU   8          2HD2      LEU   8  15.182  33.911  17.125
   66   HD23  LEU   8          3HD2      LEU   8  14.021  35.007  17.886
   67    H    DGN   9           H        DGN   9  12.894  35.441  22.326
   68    HA   DGN   9           HA       DGN   9  11.908  34.017  24.542
   69    HB2  DGN   9           HB1      DGN   9  13.404  36.668  24.597
   70    HB3  DGN   9           HB2      DGN   9  12.360  36.057  25.800
   71    HG2  DGN   9           HG1      DGN   9  10.368  36.139  24.385
   72    HG3  DGN   9           HG2      DGN   9  11.436  36.707  23.073
   73   HE21  DGN   9          1HE2      DGN   9  12.565  38.874  23.276
   74   HE22  DGN   9          2HE2      DGN   9  11.822  40.060  24.317
  Start of MODEL   11
    1    HA   DPR   1           HA       DPR   1  15.884  32.587  26.110
    2    HB2  DPR   1           HB1      DPR   1  15.159  31.364  28.492
    3    HB3  DPR   1           HB2      DPR   1  14.848  30.796  26.847
    4    HG2  DPR   1           HG1      DPR   1  12.977  32.543  28.575
    5    HG3  DPR   1           HG2      DPR   1  12.539  31.051  27.854
    6    HD2  DPR   1           HD1      DPR   1  12.065  33.410  26.568
    7    HD3  DPR   1           HD2      DPR   1  12.518  31.971  25.577
    8    HA   PRO   2           HA       PRO   2  16.783  35.239  29.701
    9    HB2  PRO   2           HB2      PRO   2  19.599  35.505  29.163
   10    HB3  PRO   2           HB1      PRO   2  18.769  34.380  30.255
   11    HG2  PRO   2           HG2      PRO   2  19.589  34.200  27.420
   12    HG3  PRO   2           HG1      PRO   2  19.907  33.023  28.727
   13    HD2  PRO   2           HD2      PRO   2  17.741  32.559  26.929
   14    HD3  PRO   2           HD1      PRO   2  17.465  32.297  28.656
   15    H    TYR   3           H        TYR   3  17.979  35.609  26.405
   16    HA   TYR   3           HA       TYR   3  16.847  38.337  26.300
   17    HB2  TYR   3           HB2      TYR   3  19.127  38.775  27.025
   18    HB3  TYR   3           HB1      TYR   3  19.725  37.628  25.895
   19    HD1  TYR   3           HD1      TYR   3  17.733  40.812  26.176
   20    HD2  TYR   3           HD2      TYR   3  20.716  38.676  23.995
   21    HE1  TYR   3           HE1      TYR   3  18.165  42.824  24.862
   22    HE2  TYR   3           HE2      TYR   3  21.244  40.704  22.683
   23    HH   TYR   3           HH       TYR   3  20.639  42.871  22.266
   24    H    DHI   4           H        DHI   4  15.927  38.706  24.339
   25    HA   DHI   4           HA       DHI   4  16.595  37.319  21.816
   26    HB2  DHI   4           HB1      DHI   4  17.781  38.779  20.934
   27    HB3  DHI   4           HB2      DHI   4  18.238  39.335  22.540
   28    HD1  DHI   4           HD1      DHI   4  17.780  41.168  19.738
   29    HD2  DHI   4           HD2      DHI   4  15.728  41.025  23.402
   30    HE1  DHI   4           HE1      DHI   4  16.182  43.183  19.698
   31    HE2  DHI   4           HE2      DHI   4  15.087  43.213  21.906
   32    HA   PRO   5           HA       PRO   5  13.091  39.840  20.301
   33    HB2  PRO   5           HB2      PRO   5  12.702  38.355  18.057
   34    HB3  PRO   5           HB1      PRO   5  14.063  39.512  18.108
   35    HG2  PRO   5           HG2      PRO   5  14.102  36.500  18.639
   36    HG3  PRO   5           HG1      PRO   5  15.138  37.464  17.469
   37    HD2  PRO   5           HD2      PRO   5  15.895  36.868  19.987
   38    HD3  PRO   5           HD1      PRO   5  16.264  38.520  19.306
   39    H    LYS   6           H        LYS   6  11.064  39.194  19.359
   40    HA   LYS   6           HA       LYS   6   9.664  38.067  21.490
   41    HB2  LYS   6           HB2      LYS   6   8.939  39.823  19.746
   42    HB3  LYS   6           HB1      LYS   6   8.636  38.496  18.671
   43    HG2  LYS   6           HG2      LYS   6   6.558  39.129  19.637
   44    HG3  LYS   6           HG1      LYS   6   7.000  37.641  20.438
   45    HD2  LYS   6           HD2      LYS   6   7.873  38.900  22.365
   46    HD3  LYS   6           HD1      LYS   6   7.598  40.435  21.620
   47    HE2  LYS   6           HE2      LYS   6   5.180  40.087  21.398
   48    HE3  LYS   6           HE1      LYS   6   5.453  38.622  22.418
   49    HZ1  LYS   6           HZ1      LYS   6   4.883  40.736  23.714
   50    HZ2  LYS   6           HZ2      LYS   6   6.257  41.404  23.083
   51    HZ3  LYS   6           HZ3      LYS   6   6.347  40.186  24.121
   52    H    ASP   7           H        ASP   7  10.927  36.498  18.576
   53    HA   ASP   7           HA       ASP   7   9.161  34.077  18.905
   54    HB2  ASP   7           HB2      ASP   7   9.775  33.586  16.683
   55    HB3  ASP   7           HB1      ASP   7   9.149  35.293  16.779
   56    H    LEU   8           H        LEU   8  11.743  35.072  20.396
   57    HA   LEU   8           HA       LEU   8  13.134  32.437  20.204
   58    HB2  LEU   8           HB2      LEU   8  14.343  34.075  19.071
   59    HB3  LEU   8           HB1      LEU   8  14.433  35.066  20.525
   60    HG   LEU   8           HG       LEU   8  15.474  32.954  21.642
   61   HD11  LEU   8          1HD1      LEU   8  16.578  31.335  19.953
   62   HD12  LEU   8          2HD1      LEU   8  15.450  32.097  18.780
   63   HD13  LEU   8          3HD1      LEU   8  14.888  31.152  20.230
   64   HD21  LEU   8          1HD2      LEU   8  17.057  34.168  19.300
   65   HD22  LEU   8          2HD2      LEU   8  17.748  33.384  20.648
   66   HD23  LEU   8          3HD2      LEU   8  16.908  34.864  20.956
   67    H    DGN   9           H        DGN   9  12.702  35.288  22.248
   68    HA   DGN   9           HA       DGN   9  11.877  33.949  24.522
   69    HB2  DGN   9           HB1      DGN   9  13.264  36.656  24.473
   70    HB3  DGN   9           HB2      DGN   9  12.557  36.044  25.801
   71    HG2  DGN   9           HG1      DGN   9  10.317  36.024  24.562
   72    HG3  DGN   9           HG2      DGN   9  11.150  36.632  23.138
   73   HE21  DGN   9          1HE2      DGN   9  12.579  38.700  23.568
   74   HE22  DGN   9          2HE2      DGN   9  11.803  39.922  24.545
  Start of MODEL   12
    1    HA   DPR   1           HA       DPR   1  15.599  32.712  25.925
    2    HB2  DPR   1           HB1      DPR   1  14.962  31.621  28.442
    3    HB3  DPR   1           HB2      DPR   1  14.793  30.748  27.021
    4    HG2  DPR   1           HG1      DPR   1  12.607  32.510  28.133
    5    HG3  DPR   1           HG2      DPR   1  12.508  30.791  27.620
    6    HD2  DPR   1           HD1      DPR   1  11.728  32.713  25.885
    7    HD3  DPR   1           HD2      DPR   1  12.888  31.507  25.204
    8    HA   PRO   2           HA       PRO   2  16.571  35.361  29.601
    9    HB2  PRO   2           HB2      PRO   2  19.359  35.140  28.801
   10    HB3  PRO   2           HB1      PRO   2  18.555  34.822  30.353
   11    HG2  PRO   2           HG2      PRO   2  19.509  32.707  28.822
   12    HG3  PRO   2           HG1      PRO   2  18.208  32.612  29.963
   13    HD2  PRO   2           HD2      PRO   2  18.141  33.132  26.952
   14    HD3  PRO   2           HD1      PRO   2  17.137  32.006  27.942
   15    H    TYR   3           H        TYR   3  17.672  35.650  26.273
   16    HA   TYR   3           HA       TYR   3  16.845  38.501  26.062
   17    HB2  TYR   3           HB2      TYR   3  19.142  38.629  27.127
   18    HB3  TYR   3           HB1      TYR   3  19.700  37.747  25.737
   19    HD1  TYR   3           HD1      TYR   3  17.296  40.681  26.196
   20    HD2  TYR   3           HD2      TYR   3  20.877  39.223  24.463
   21    HE1  TYR   3           HE1      TYR   3  17.398  42.651  24.842
   22    HE2  TYR   3           HE2      TYR   3  21.176  41.358  23.122
   23    HH   TYR   3           HH       TYR   3  19.977  43.245  22.362
   24    H    DHI   4           H        DHI   4  16.223  38.904  24.068
   25    HA   DHI   4           HA       DHI   4  16.733  37.086  21.901
   26    HB2  DHI   4           HB1      DHI   4  17.779  38.563  20.569
   27    HB3  DHI   4           HB2      DHI   4  18.480  39.129  22.045
   28    HD1  DHI   4           HD1      DHI   4  17.732  40.651  19.123
   29    HD2  DHI   4           HD2      DHI   4  16.061  41.062  22.962
   30    HE1  DHI   4           HE1      DHI   4  17.039  43.208  19.463
   31    HE2  DHI   4           HE2      DHI   4  16.289  43.387  21.879
   32    HA   PRO   5           HA       PRO   5  13.311  39.787  20.556
   33    HB2  PRO   5           HB2      PRO   5  12.446  38.820  18.097
   34    HB3  PRO   5           HB1      PRO   5  13.781  39.966  18.389
   35    HG2  PRO   5           HG2      PRO   5  13.936  36.952  18.263
   36    HG3  PRO   5           HG1      PRO   5  14.916  38.043  17.178
   37    HD2  PRO   5           HD2      PRO   5  16.072  37.082  19.375
   38    HD3  PRO   5           HD1      PRO   5  16.204  38.780  19.122
   39    H    LYS   6           H        LYS   6  11.062  39.400  19.964
   40    HA   LYS   6           HA       LYS   6   9.644  37.831  21.704
   41    HB2  LYS   6           HB2      LYS   6   9.064  39.570  19.451
   42    HB3  LYS   6           HB1      LYS   6   8.005  38.242  19.344
   43    HG2  LYS   6           HG2      LYS   6   6.790  39.783  20.548
   44    HG3  LYS   6           HG1      LYS   6   7.164  38.349  21.563
   45    HD2  LYS   6           HD2      LYS   6   8.826  39.629  22.863
   46    HD3  LYS   6           HD1      LYS   6   8.705  40.847  21.573
   47    HE2  LYS   6           HE2      LYS   6   7.500  41.509  23.681
   48    HE3  LYS   6           HE1      LYS   6   6.589  41.580  22.149
   49    HZ1  LYS   6           HZ1      LYS   6   5.500  39.488  22.790
   50    HZ2  LYS   6           HZ2      LYS   6   5.349  40.470  23.987
   51    HZ3  LYS   6           HZ3      LYS   6   6.484  39.308  24.066
   52    H    ASP   7           H        ASP   7  10.819  36.327  18.710
   53    HA   ASP   7           HA       ASP   7   9.149  33.964  19.432
   54    HB2  ASP   7           HB2      ASP   7  10.081  33.094  17.316
   55    HB3  ASP   7           HB1      ASP   7   9.017  34.502  17.132
   56    H    LEU   8           H        LEU   8  12.476  35.167  19.430
   57    HA   LEU   8           HA       LEU   8  13.537  32.628  20.042
   58    HB2  LEU   8           HB2      LEU   8  14.541  34.280  18.762
   59    HB3  LEU   8           HB1      LEU   8  14.779  35.336  20.138
   60    HG   LEU   8           HG       LEU   8  15.769  32.472  20.124
   61   HD11  LEU   8          1HD1      LEU   8  17.954  33.405  19.352
   62   HD12  LEU   8          2HD1      LEU   8  17.195  34.983  19.187
   63   HD13  LEU   8          3HD1      LEU   8  16.583  33.729  18.148
   64   HD21  LEU   8          1HD2      LEU   8  17.631  33.262  21.510
   65   HD22  LEU   8          2HD2      LEU   8  16.129  33.482  22.382
   66   HD23  LEU   8          3HD2      LEU   8  16.894  34.898  21.637
   67    H    DGN   9           H        DGN   9  12.855  35.464  22.178
   68    HA   DGN   9           HA       DGN   9  11.841  33.762  24.274
   69    HB2  DGN   9           HB1      DGN   9  12.951  36.633  24.116
   70    HB3  DGN   9           HB2      DGN   9  12.141  35.908  25.621
   71    HG2  DGN   9           HG1      DGN   9  10.175  35.696  24.522
   72    HG3  DGN   9           HG2      DGN   9  10.808  36.429  23.023
   73   HE21  DGN   9          1HE2      DGN   9  12.169  38.441  23.207
   74   HE22  DGN   9          2HE2      DGN   9  11.274  39.704  24.047
  Start of MODEL   13
    1    HA   DPR   1           HA       DPR   1  15.632  32.361  26.318
    2    HB2  DPR   1           HB1      DPR   1  13.690  32.133  28.624
    3    HB3  DPR   1           HB2      DPR   1  15.030  30.968  28.024
    4    HG2  DPR   1           HG1      DPR   1  12.413  30.509  27.388
    5    HG3  DPR   1           HG2      DPR   1  13.722  30.433  26.051
    6    HD2  DPR   1           HD1      DPR   1  11.837  32.750  26.754
    7    HD3  DPR   1           HD2      DPR   1  12.220  31.948  25.212
    8    HA   PRO   2           HA       PRO   2  16.523  35.340  29.542
    9    HB2  PRO   2           HB2      PRO   2  19.233  35.698  29.145
   10    HB3  PRO   2           HB1      PRO   2  18.578  34.290  30.040
   11    HG2  PRO   2           HG2      PRO   2  19.459  34.360  27.169
   12    HG3  PRO   2           HG1      PRO   2  19.802  33.203  28.434
   13    HD2  PRO   2           HD2      PRO   2  17.767  32.911  26.542
   14    HD3  PRO   2           HD1      PRO   2  17.580  32.246  28.174
   15    H    TYR   3           H        TYR   3  17.533  35.600  26.168
   16    HA   TYR   3           HA       TYR   3  16.981  38.532  26.205
   17    HB2  TYR   3           HB2      TYR   3  19.202  38.218  27.081
   18    HB3  TYR   3           HB1      TYR   3  19.656  37.368  25.542
   19    HD1  TYR   3           HD1      TYR   3  18.096  40.539  26.921
   20    HD2  TYR   3           HD2      TYR   3  20.768  38.774  23.954
   21    HE1  TYR   3           HE1      TYR   3  18.617  42.728  25.992
   22    HE2  TYR   3           HE2      TYR   3  20.979  41.012  22.910
   23    HH   TYR   3           HH       TYR   3  20.846  43.157  23.311
   24    H    DHI   4           H        DHI   4  16.099  39.040  24.061
   25    HA   DHI   4           HA       DHI   4  16.811  37.397  21.747
   26    HB2  DHI   4           HB1      DHI   4  17.788  39.316  20.667
   27    HB3  DHI   4           HB2      DHI   4  18.567  38.910  22.153
   28    HD1  DHI   4           HD1      DHI   4  18.901  41.615  20.775
   29    HD2  DHI   4           HD2      DHI   4  15.815  40.922  23.512
   30    HE1  DHI   4           HE1      DHI   4  18.275  43.921  21.926
   31    HE2  DHI   4           HE2      DHI   4  16.277  43.446  23.300
   32    HA   PRO   5           HA       PRO   5  13.306  39.810  19.933
   33    HB2  PRO   5           HB2      PRO   5  12.795  37.538  18.041
   34    HB3  PRO   5           HB1      PRO   5  12.924  39.263  17.725
   35    HG2  PRO   5           HG2      PRO   5  14.627  37.403  17.137
   36    HG3  PRO   5           HG1      PRO   5  15.064  39.159  17.418
   37    HD2  PRO   5           HD2      PRO   5  15.693  36.850  19.325
   38    HD3  PRO   5           HD1      PRO   5  16.488  38.335  19.174
   39    H    LYS   6           H        LYS   6  10.783  39.221  19.794
   40    HA   LYS   6           HA       LYS   6   9.988  37.788  22.001
   41    HB2  LYS   6           HB2      LYS   6   8.846  39.550  20.956
   42    HB3  LYS   6           HB1      LYS   6   8.345  38.369  19.611
   43    HG2  LYS   6           HG2      LYS   6   6.557  38.906  20.775
   44    HG3  LYS   6           HG1      LYS   6   6.881  37.239  20.894
   45    HD2  LYS   6           HD2      LYS   6   7.830  37.739  23.236
   46    HD3  LYS   6           HD1      LYS   6   7.736  39.450  22.950
   47    HE2  LYS   6           HE2      LYS   6   5.984  38.574  24.421
   48    HE3  LYS   6           HE1      LYS   6   5.120  39.137  23.016
   49    HZ1  LYS   6           HZ1      LYS   6   4.500  36.821  23.876
   50    HZ2  LYS   6           HZ2      LYS   6   5.862  36.289  23.356
   51    HZ3  LYS   6           HZ3      LYS   6   4.883  36.902  22.252
   52    H    ASP   7           H        ASP   7  10.375  36.696  18.603
   53    HA   ASP   7           HA       ASP   7   9.188  34.082  19.062
   54    HB2  ASP   7           HB2      ASP   7  10.394  33.700  16.787
   55    HB3  ASP   7           HB1      ASP   7   9.109  34.993  16.801
   56    H    LEU   8           H        LEU   8  12.181  35.386  20.124
   57    HA   LEU   8           HA       LEU   8  13.369  32.677  20.083
   58    HB2  LEU   8           HB2      LEU   8  14.579  34.717  19.283
   59    HB3  LEU   8           HB1      LEU   8  14.550  35.402  20.847
   60    HG   LEU   8           HG       LEU   8  15.731  33.382  21.824
   61   HD11  LEU   8          1HD1      LEU   8  17.043  31.898  20.398
   62   HD12  LEU   8          2HD1      LEU   8  16.345  32.716  18.955
   63   HD13  LEU   8          3HD1      LEU   8  15.308  31.734  19.953
   64   HD21  LEU   8          1HD2      LEU   8  17.023  35.388  21.377
   65   HD22  LEU   8          2HD2      LEU   8  17.478  34.769  19.826
   66   HD23  LEU   8          3HD2      LEU   8  17.906  33.788  21.244
   67    H    DGN   9           H        DGN   9  12.940  35.362  22.248
   68    HA   DGN   9           HA       DGN   9  11.955  33.945  24.517
   69    HB2  DGN   9           HB1      DGN   9  13.383  36.515  24.189
   70    HB3  DGN   9           HB2      DGN   9  12.871  35.977  25.768
   71    HG2  DGN   9           HG1      DGN   9  10.565  36.245  25.334
   72    HG3  DGN   9           HG2      DGN   9  10.895  36.120  23.589
   73   HE21  DGN   9          1HE2      DGN   9  12.269  38.257  22.900
   74   HE22  DGN   9          2HE2      DGN   9  11.634  39.758  23.714
  Start of MODEL   14
    1    HA   DPR   1           HA       DPR   1  16.125  32.841  25.491
    2    HB2  DPR   1           HB1      DPR   1  15.337  31.376  27.983
    3    HB3  DPR   1           HB2      DPR   1  16.586  30.966  26.743
    4    HG2  DPR   1           HG1      DPR   1  14.047  29.845  26.650
    5    HG3  DPR   1           HG2      DPR   1  14.915  30.423  25.126
    6    HD2  DPR   1           HD1      DPR   1  12.724  31.714  26.793
    7    HD3  DPR   1           HD2      DPR   1  12.908  31.616  25.037
    8    HA   PRO   2           HA       PRO   2  17.049  35.046  29.554
    9    HB2  PRO   2           HB2      PRO   2  19.364  36.344  28.580
   10    HB3  PRO   2           HB1      PRO   2  19.431  34.819  29.313
   11    HG2  PRO   2           HG2      PRO   2  19.667  35.286  26.421
   12    HG3  PRO   2           HG1      PRO   2  20.306  34.036  27.290
   13    HD2  PRO   2           HD2      PRO   2  17.970  33.800  25.828
   14    HD3  PRO   2           HD1      PRO   2  18.350  32.703  27.210
   15    H    TYR   3           H        TYR   3  17.942  36.425  26.412
   16    HA   TYR   3           HA       TYR   3  15.814  38.389  26.352
   17    HB2  TYR   3           HB2      TYR   3  18.076  39.937  25.963
   18    HB3  TYR   3           HB1      TYR   3  17.236  40.060  27.468
   19    HD1  TYR   3           HD1      TYR   3  20.031  38.250  25.701
   20    HD2  TYR   3           HD2      TYR   3  18.464  39.677  29.448
   21    HE1  TYR   3           HE1      TYR   3  22.006  37.378  26.981
   22    HE2  TYR   3           HE2      TYR   3  20.518  39.034  30.600
   23    HH   TYR   3           HH       TYR   3  22.710  38.232  30.190
   24    H    DHI   4           H        DHI   4  15.871  39.528  24.219
   25    HA   DHI   4           HA       DHI   4  16.812  37.542  22.405
   26    HB2  DHI   4           HB1      DHI   4  17.959  39.297  20.964
   27    HB3  DHI   4           HB2      DHI   4  18.652  39.093  22.614
   28    HD1  DHI   4           HD1      DHI   4  16.021  41.545  21.201
   29    HD2  DHI   4           HD2      DHI   4  19.683  41.247  23.262
   30    HE1  DHI   4           HE1      DHI   4  16.523  43.882  22.208
   31    HE2  DHI   4           HE2      DHI   4  18.910  43.766  23.022
   32    HA   PRO   5           HA       PRO   5  13.876  39.224  19.408
   33    HB2  PRO   5           HB2      PRO   5  13.679  36.237  18.999
   34    HB3  PRO   5           HB1      PRO   5  13.626  37.580  17.819
   35    HG2  PRO   5           HG2      PRO   5  15.874  36.018  18.066
   36    HG3  PRO   5           HG1      PRO   5  16.022  37.783  18.007
   37    HD2  PRO   5           HD2      PRO   5  16.116  36.209  20.487
   38    HD3  PRO   5           HD1      PRO   5  17.123  37.607  20.024
   39    H    LYS   6           H        LYS   6  11.528  38.806  19.362
   40    HA   LYS   6           HA       LYS   6  10.422  37.784  21.903
   41    HB2  LYS   6           HB2      LYS   6   9.694  39.926  21.245
   42    HB3  LYS   6           HB1      LYS   6   9.262  39.342  19.626
   43    HG2  LYS   6           HG2      LYS   6   7.308  38.379  20.400
   44    HG3  LYS   6           HG1      LYS   6   7.857  38.427  22.120
   45    HD2  LYS   6           HD2      LYS   6   7.712  40.833  22.156
   46    HD3  LYS   6           HD1      LYS   6   7.486  40.998  20.430
   47    HE2  LYS   6           HE2      LYS   6   5.269  41.236  21.188
   48    HE3  LYS   6           HE1      LYS   6   5.509  39.590  20.489
   49    HZ1  LYS   6           HZ1      LYS   6   4.361  39.603  22.623
   50    HZ2  LYS   6           HZ2      LYS   6   5.719  40.085  23.368
   51    HZ3  LYS   6           HZ3      LYS   6   5.636  38.639  22.584
   52    H    ASP   7           H        ASP   7  10.599  36.838  18.546
   53    HA   ASP   7           HA       ASP   7   8.725  34.652  18.636
   54    HB2  ASP   7           HB2      ASP   7  10.982  35.083  16.809
   55    HB3  ASP   7           HB1      ASP   7   9.799  33.875  16.629
   56    H    LEU   8           H        LEU   8  11.825  35.084  19.985
   57    HA   LEU   8           HA       LEU   8  12.211  32.099  20.250
   58    HB2  LEU   8           HB2      LEU   8  14.139  34.338  20.631
   59    HB3  LEU   8           HB1      LEU   8  14.449  32.683  20.911
   60    HG   LEU   8           HG       LEU   8  13.985  33.926  18.209
   61   HD11  LEU   8          1HD1      LEU   8  16.181  33.284  17.749
   62   HD12  LEU   8          2HD1      LEU   8  16.378  32.176  19.005
   63   HD13  LEU   8          3HD1      LEU   8  16.299  33.938  19.424
   64   HD21  LEU   8          1HD2      LEU   8  14.187  30.888  18.743
   65   HD22  LEU   8          2HD2      LEU   8  14.342  31.664  17.145
   66   HD23  LEU   8          3HD2      LEU   8  12.920  31.909  18.135
   67    H    DGN   9           H        DGN   9  12.928  34.954  22.304
   68    HA   DGN   9           HA       DGN   9  11.838  33.829  24.806
   69    HB2  DGN   9           HB1      DGN   9  13.671  36.117  24.041
   70    HB3  DGN   9           HB2      DGN   9  13.316  35.670  25.711
   71    HG2  DGN   9           HG1      DGN   9  10.964  36.177  25.467
   72    HG3  DGN   9           HG2      DGN   9  11.228  36.594  23.798
   73   HE21  DGN   9          1HE2      DGN   9  12.921  38.291  23.315
   74   HE22  DGN   9          2HE2      DGN   9  13.292  39.539  24.480
  Start of MODEL   15
    1    HA   DPR   1           HA       DPR   1  15.926  32.559  26.017
    2    HB2  DPR   1           HB1      DPR   1  14.540  31.651  28.427
    3    HB3  DPR   1           HB2      DPR   1  15.732  30.885  27.310
    4    HG2  DPR   1           HG1      DPR   1  13.098  30.282  27.188
    5    HG3  DPR   1           HG2      DPR   1  14.017  30.417  25.657
    6    HD2  DPR   1           HD1      DPR   1  12.132  32.348  26.845
    7    HD3  DPR   1           HD2      DPR   1  12.571  31.905  25.121
    8    HA   PRO   2           HA       PRO   2  17.046  35.117  29.655
    9    HB2  PRO   2           HB2      PRO   2  19.425  35.921  28.868
   10    HB3  PRO   2           HB1      PRO   2  19.110  34.385  29.678
   11    HG2  PRO   2           HG2      PRO   2  19.537  34.834  26.740
   12    HG3  PRO   2           HG1      PRO   2  20.160  33.531  27.839
   13    HD2  PRO   2           HD2      PRO   2  17.960  33.180  26.152
   14    HD3  PRO   2           HD1      PRO   2  18.061  32.423  27.785
   15    H    TYR   3           H        TYR   3  17.623  36.047  26.159
   16    HA   TYR   3           HA       TYR   3  16.144  38.403  26.193
   17    HB2  TYR   3           HB2      TYR   3  18.254  39.719  25.679
   18    HB3  TYR   3           HB1      TYR   3  18.087  39.433  27.331
   19    HD1  TYR   3           HD1      TYR   3  19.954  38.334  24.312
   20    HD2  TYR   3           HD2      TYR   3  19.653  38.173  28.550
   21    HE1  TYR   3           HE1      TYR   3  22.345  37.620  24.403
   22    HE2  TYR   3           HE2      TYR   3  22.123  37.540  28.685
   23    HH   TYR   3           HH       TYR   3  23.899  36.892  27.544
   24    H    DHI   4           H        DHI   4  15.784  39.156  24.155
   25    HA   DHI   4           HA       DHI   4  16.882  37.499  21.947
   26    HB2  DHI   4           HB1      DHI   4  17.519  39.611  20.788
   27    HB3  DHI   4           HB2      DHI   4  18.516  39.401  22.168
   28    HD1  DHI   4           HD1      DHI   4  16.374  41.854  20.479
   29    HD2  DHI   4           HD2      DHI   4  18.074  41.157  24.293
   30    HE1  DHI   4           HE1      DHI   4  16.407  44.046  21.671
   31    HE2  DHI   4           HE2      DHI   4  17.360  43.678  24.028
   32    HA   PRO   5           HA       PRO   5  13.323  39.369  19.409
   33    HB2  PRO   5           HB2      PRO   5  13.464  36.427  18.839
   34    HB3  PRO   5           HB1      PRO   5  13.001  37.839  17.807
   35    HG2  PRO   5           HG2      PRO   5  15.462  36.670  17.526
   36    HG3  PRO   5           HG1      PRO   5  15.360  38.345  17.456
   37    HD2  PRO   5           HD2      PRO   5  16.187  36.751  19.837
   38    HD3  PRO   5           HD1      PRO   5  16.792  38.311  19.323
   39    H    LYS   6           H        LYS   6  11.147  39.046  19.677
   40    HA   LYS   6           HA       LYS   6   9.973  37.901  22.100
   41    HB2  LYS   6           HB2      LYS   6   8.990  39.729  20.975
   42    HB3  LYS   6           HB1      LYS   6   8.850  38.897  19.457
   43    HG2  LYS   6           HG2      LYS   6   6.987  37.589  20.296
   44    HG3  LYS   6           HG1      LYS   6   7.466  37.776  21.902
   45    HD2  LYS   6           HD2      LYS   6   6.840  40.042  22.061
   46    HD3  LYS   6           HD1      LYS   6   6.694  40.161  20.339
   47    HE2  LYS   6           HE2      LYS   6   4.724  38.730  20.329
   48    HE3  LYS   6           HE1      LYS   6   4.874  38.248  21.933
   49    HZ1  LYS   6           HZ1      LYS   6   4.233  40.391  22.764
   50    HZ2  LYS   6           HZ2      LYS   6   3.193  39.989  21.557
   51    HZ3  LYS   6           HZ3      LYS   6   4.159  41.097  21.252
   52    H    ASP   7           H        ASP   7  10.208  37.018  18.692
   53    HA   ASP   7           HA       ASP   7   9.109  34.619  18.488
   54    HB2  ASP   7           HB2      ASP   7  11.832  35.375  17.312
   55    HB3  ASP   7           HB1      ASP   7  10.695  34.067  16.753
   56    H    LEU   8           H        LEU   8  12.136  35.116  20.335
   57    HA   LEU   8           HA       LEU   8  12.814  32.252  20.122
   58    HB2  LEU   8           HB2      LEU   8  14.738  34.569  20.624
   59    HB3  LEU   8           HB1      LEU   8  15.103  32.897  20.725
   60    HG   LEU   8           HG       LEU   8  14.365  34.324  18.178
   61   HD11  LEU   8          1HD1      LEU   8  16.892  32.724  18.864
   62   HD12  LEU   8          2HD1      LEU   8  16.549  34.575  18.686
   63   HD13  LEU   8          3HD1      LEU   8  16.561  33.413  17.370
   64   HD21  LEU   8          1HD2      LEU   8  13.247  32.312  18.108
   65   HD22  LEU   8          2HD2      LEU   8  14.703  31.317  18.577
   66   HD23  LEU   8          3HD2      LEU   8  14.576  32.238  17.032
   67    H    DGN   9           H        DGN   9  12.399  35.055  22.191
   68    HA   DGN   9           HA       DGN   9  11.820  33.851  24.681
   69    HB2  DGN   9           HB1      DGN   9  13.270  36.514  24.532
   70    HB3  DGN   9           HB2      DGN   9  12.411  35.774  25.778
   71    HG2  DGN   9           HG1      DGN   9  10.303  35.912  24.978
   72    HG3  DGN   9           HG2      DGN   9  10.840  36.137  23.239
   73   HE21  DGN   9          1HE2      DGN   9  12.411  38.222  23.197
   74   HE22  DGN   9          2HE2      DGN   9  11.787  39.642  23.967
  Start of MODEL   16
    1    HA   DPR   1           HA       DPR   1  16.049  32.438  26.281
    2    HB2  DPR   1           HB1      DPR   1  14.152  31.867  28.371
    3    HB3  DPR   1           HB2      DPR   1  15.570  30.954  27.965
    4    HG2  DPR   1           HG1      DPR   1  13.225  30.049  26.934
    5    HG3  DPR   1           HG2      DPR   1  14.713  29.900  26.036
    6    HD2  DPR   1           HD1      DPR   1  12.437  31.748  25.580
    7    HD3  DPR   1           HD2      DPR   1  13.811  31.383  24.464
    8    HA   PRO   2           HA       PRO   2  16.472  35.401  29.782
    9    HB2  PRO   2           HB2      PRO   2  19.244  35.734  29.451
   10    HB3  PRO   2           HB1      PRO   2  18.343  34.664  30.511
   11    HG2  PRO   2           HG2      PRO   2  19.592  34.102  27.756
   12    HG3  PRO   2           HG1      PRO   2  19.746  33.140  29.119
   13    HD2  PRO   2           HD2      PRO   2  17.910  32.742  27.186
   14    HD3  PRO   2           HD1      PRO   2  17.566  32.319  28.909
   15    H    TYR   3           H        TYR   3  17.007  35.795  26.270
   16    HA   TYR   3           HA       TYR   3  16.506  38.525  26.234
   17    HB2  TYR   3           HB2      TYR   3  18.858  39.142  25.242
   18    HB3  TYR   3           HB1      TYR   3  18.535  39.058  26.965
   19    HD1  TYR   3           HD1      TYR   3  19.910  37.647  28.286
   20    HD2  TYR   3           HD2      TYR   3  19.809  37.232  24.038
   21    HE1  TYR   3           HE1      TYR   3  21.957  36.063  28.373
   22    HE2  TYR   3           HE2      TYR   3  21.696  35.612  24.141
   23    HH   TYR   3           HH       TYR   3  23.168  34.423  25.587
   24    H    DHI   4           H        DHI   4  16.100  39.193  24.113
   25    HA   DHI   4           HA       DHI   4  16.930  37.490  21.869
   26    HB2  DHI   4           HB1      DHI   4  17.344  39.873  20.840
   27    HB3  DHI   4           HB2      DHI   4  18.574  39.063  21.744
   28    HD1  DHI   4           HD1      DHI   4  19.557  40.644  23.533
   29    HD2  DHI   4           HD2      DHI   4  15.643  41.677  22.551
   30    HE1  DHI   4           HE1      DHI   4  19.152  42.875  24.581
   31    HE2  DHI   4           HE2      DHI   4  16.550  43.453  24.044
   32    HA   PRO   5           HA       PRO   5  13.327  39.605  19.811
   33    HB2  PRO   5           HB2      PRO   5  13.354  37.255  18.047
   34    HB3  PRO   5           HB1      PRO   5  13.310  39.041  17.657
   35    HG2  PRO   5           HG2      PRO   5  15.378  37.211  17.386
   36    HG3  PRO   5           HG1      PRO   5  15.595  38.960  17.444
   37    HD2  PRO   5           HD2      PRO   5  16.059  36.788  19.502
   38    HD3  PRO   5           HD1      PRO   5  16.791  38.337  19.326
   39    H    LYS   6           H        LYS   6  11.004  38.937  19.442
   40    HA   LYS   6           HA       LYS   6  10.172  37.847  21.990
   41    HB2  LYS   6           HB2      LYS   6   9.135  39.852  20.939
   42    HB3  LYS   6           HB1      LYS   6   8.939  39.096  19.476
   43    HG2  LYS   6           HG2      LYS   6   6.875  39.486  20.647
   44    HG3  LYS   6           HG1      LYS   6   6.979  37.884  20.204
   45    HD2  LYS   6           HD2      LYS   6   7.835  37.435  22.616
   46    HD3  LYS   6           HD1      LYS   6   7.238  39.057  22.978
   47    HE2  LYS   6           HE2      LYS   6   5.011  38.180  21.819
   48    HE3  LYS   6           HE1      LYS   6   5.722  36.638  21.799
   49    HZ1  LYS   6           HZ1      LYS   6   6.090  36.760  24.245
   50    HZ2  LYS   6           HZ2      LYS   6   4.532  36.824  23.900
   51    HZ3  LYS   6           HZ3      LYS   6   5.232  38.214  24.196
   52    H    ASP   7           H        ASP   7  10.104  36.758  18.522
   53    HA   ASP   7           HA       ASP   7   8.694  34.502  18.899
   54    HB2  ASP   7           HB2      ASP   7  11.180  34.870  17.135
   55    HB3  ASP   7           HB1      ASP   7   9.937  33.719  16.830
   56    H    LEU   8           H        LEU   8  11.961  35.225  19.919
   57    HA   LEU   8           HA       LEU   8  12.793  32.456  20.001
   58    HB2  LEU   8           HB2      LEU   8  14.533  34.966  20.051
   59    HB3  LEU   8           HB1      LEU   8  15.083  33.318  19.959
   60    HG   LEU   8           HG       LEU   8  13.670  34.733  17.819
   61   HD11  LEU   8          1HD1      LEU   8  16.057  35.226  17.825
   62   HD12  LEU   8          2HD1      LEU   8  15.632  34.387  16.456
   63   HD13  LEU   8          3HD1      LEU   8  16.484  33.482  17.783
   64   HD21  LEU   8          1HD2      LEU   8  14.326  31.783  18.128
   65   HD22  LEU   8          2HD2      LEU   8  14.233  32.552  16.543
   66   HD23  LEU   8          3HD2      LEU   8  12.817  32.544  17.679
   67    H    DGN   9           H        DGN   9  12.712  35.120  22.205
   68    HA   DGN   9           HA       DGN   9  12.184  33.755  24.505
   69    HB2  DGN   9           HB1      DGN   9  13.663  36.369  24.033
   70    HB3  DGN   9           HB2      DGN   9  13.145  35.913  25.637
   71    HG2  DGN   9           HG1      DGN   9  10.834  35.754  25.153
   72    HG3  DGN   9           HG2      DGN   9  11.160  36.039  23.465
   73   HE21  DGN   9          1HE2      DGN   9  12.931  38.338  23.720
   74   HE22  DGN   9          2HE2      DGN   9  11.962  39.635  24.401
  Start of MODEL   17
    1    HA   DPR   1           HA       DPR   1  15.732  32.231  26.278
    2    HB2  DPR   1           HB1      DPR   1  14.766  31.735  28.797
    3    HB3  DPR   1           HB2      DPR   1  14.676  30.547  27.515
    4    HG2  DPR   1           HG1      DPR   1  12.611  32.534  28.458
    5    HG3  DPR   1           HG2      DPR   1  12.373  30.885  27.934
    6    HD2  DPR   1           HD1      DPR   1  11.823  32.922  26.271
    7    HD3  DPR   1           HD2      DPR   1  12.510  31.276  25.731
    8    HA   PRO   2           HA       PRO   2  16.625  35.126  29.604
    9    HB2  PRO   2           HB2      PRO   2  19.287  35.468  28.370
   10    HB3  PRO   2           HB1      PRO   2  18.878  34.971  29.998
   11    HG2  PRO   2           HG2      PRO   2  19.777  33.221  28.001
   12    HG3  PRO   2           HG1      PRO   2  18.839  32.780  29.515
   13    HD2  PRO   2           HD2      PRO   2  17.984  32.933  26.661
   14    HD3  PRO   2           HD1      PRO   2  17.365  32.000  27.984
   15    H    TYR   3           H        TYR   3  17.507  35.725  26.194
   16    HA   TYR   3           HA       TYR   3  16.086  38.097  26.020
   17    HB2  TYR   3           HB2      TYR   3  17.954  39.834  25.917
   18    HB3  TYR   3           HB1      TYR   3  17.568  39.344  27.414
   19    HD1  TYR   3           HD1      TYR   3  19.039  38.213  28.998
   20    HD2  TYR   3           HD2      TYR   3  20.053  38.842  24.862
   21    HE1  TYR   3           HE1      TYR   3  21.356  37.390  29.391
   22    HE2  TYR   3           HE2      TYR   3  22.477  38.235  25.333
   23    HH   TYR   3           HH       TYR   3  23.833  37.534  26.853
   24    H    DHI   4           H        DHI   4  15.746  39.070  24.145
   25    HA   DHI   4           HA       DHI   4  16.701  37.632  21.753
   26    HB2  DHI   4           HB1      DHI   4  17.539  39.730  20.879
   27    HB3  DHI   4           HB2      DHI   4  18.561  38.896  22.041
   28    HD1  DHI   4           HD1      DHI   4  19.728  41.149  23.382
   29    HD2  DHI   4           HD2      DHI   4  15.719  41.613  22.277
   30    HE1  DHI   4           HE1      DHI   4  18.926  43.030  24.762
   31    HE2  DHI   4           HE2      DHI   4  16.520  43.507  23.880
   32    HA   PRO   5           HA       PRO   5  13.469  39.935  19.674
   33    HB2  PRO   5           HB2      PRO   5  13.519  37.362  18.194
   34    HB3  PRO   5           HB1      PRO   5  13.393  39.046  17.477
   35    HG2  PRO   5           HG2      PRO   5  15.670  37.564  17.247
   36    HG3  PRO   5           HG1      PRO   5  15.716  39.294  17.461
   37    HD2  PRO   5           HD2      PRO   5  15.838  37.090  19.375
   38    HD3  PRO   5           HD1      PRO   5  16.967  38.509  19.327
   39    H    LYS   6           H        LYS   6  11.221  38.872  19.175
   40    HA   LYS   6           HA       LYS   6  10.327  37.863  21.856
   41    HB2  LYS   6           HB2      LYS   6   9.435  39.775  20.606
   42    HB3  LYS   6           HB1      LYS   6   8.863  38.577  19.351
   43    HG2  LYS   6           HG2      LYS   6   7.133  39.447  20.713
   44    HG3  LYS   6           HG1      LYS   6   7.144  37.720  20.600
   45    HD2  LYS   6           HD2      LYS   6   8.204  37.758  22.948
   46    HD3  LYS   6           HD1      LYS   6   8.018  39.388  23.058
   47    HE2  LYS   6           HE2      LYS   6   5.423  38.872  22.539
   48    HE3  LYS   6           HE1      LYS   6   5.889  37.205  22.638
   49    HZ1  LYS   6           HZ1      LYS   6   6.457  39.115  24.742
   50    HZ2  LYS   6           HZ2      LYS   6   6.541  37.493  24.960
   51    HZ3  LYS   6           HZ3      LYS   6   5.089  37.986  24.735
   52    H    ASP   7           H        ASP   7  10.228  36.438  18.568
   53    HA   ASP   7           HA       ASP   7   8.777  34.228  19.701
   54    HB2  ASP   7           HB2      ASP   7  10.644  34.697  17.265
   55    HB3  ASP   7           HB1      ASP   7   9.899  33.223  17.493
   56    H    LEU   8           H        LEU   8  12.160  35.101  19.453
   57    HA   LEU   8           HA       LEU   8  13.145  32.457  20.054
   58    HB2  LEU   8           HB2      LEU   8  14.598  35.139  20.115
   59    HB3  LEU   8           HB1      LEU   8  15.326  33.556  20.053
   60    HG   LEU   8           HG       LEU   8  13.672  34.981  18.002
   61   HD11  LEU   8          1HD1      LEU   8  15.776  34.319  16.586
   62   HD12  LEU   8          2HD1      LEU   8  16.450  33.574  17.970
   63   HD13  LEU   8          3HD1      LEU   8  16.142  35.342  17.925
   64   HD21  LEU   8          1HD2      LEU   8  14.408  32.025  17.924
   65   HD22  LEU   8          2HD2      LEU   8  13.656  32.916  16.570
   66   HD23  LEU   8          3HD2      LEU   8  12.758  32.811  18.029
   67    H    DGN   9           H        DGN   9  13.040  35.351  22.243
   68    HA   DGN   9           HA       DGN   9  12.080  33.726  24.258
   69    HB2  DGN   9           HB1      DGN   9  13.529  36.411  24.350
   70    HB3  DGN   9           HB2      DGN   9  12.938  35.742  25.790
   71    HG2  DGN   9           HG1      DGN   9  10.684  35.827  25.306
   72    HG3  DGN   9           HG2      DGN   9  10.972  36.130  23.589
   73   HE21  DGN   9          1HE2      DGN   9  12.522  38.323  23.049
   74   HE22  DGN   9          2HE2      DGN   9  11.681  39.604  23.737
  Start of MODEL   18
    1    HA   DPR   1           HA       DPR   1  16.402  32.456  26.033
    2    HB2  DPR   1           HB1      DPR   1  14.644  31.661  28.397
    3    HB3  DPR   1           HB2      DPR   1  16.050  30.786  27.747
    4    HG2  DPR   1           HG1      DPR   1  13.364  30.259  27.256
    5    HG3  DPR   1           HG2      DPR   1  14.693  29.807  26.117
    6    HD2  DPR   1           HD1      DPR   1  12.655  31.932  25.984
    7    HD3  DPR   1           HD2      DPR   1  13.568  31.248  24.665
    8    HA   PRO   2           HA       PRO   2  16.590  35.254  29.756
    9    HB2  PRO   2           HB2      PRO   2  19.389  35.940  28.684
   10    HB3  PRO   2           HB1      PRO   2  19.060  35.493  30.299
   11    HG2  PRO   2           HG2      PRO   2  20.274  33.762  28.859
   12    HG3  PRO   2           HG1      PRO   2  19.000  33.249  29.961
   13    HD2  PRO   2           HD2      PRO   2  18.648  33.372  27.001
   14    HD3  PRO   2           HD1      PRO   2  17.861  32.325  28.286
   15    H    TYR   3           H        TYR   3  17.630  36.026  26.411
   16    HA   TYR   3           HA       TYR   3  15.729  38.012  26.334
   17    HB2  TYR   3           HB2      TYR   3  17.245  40.079  25.976
   18    HB3  TYR   3           HB1      TYR   3  17.371  39.266  27.548
   19    HD1  TYR   3           HD1      TYR   3  19.471  37.922  28.215
   20    HD2  TYR   3           HD2      TYR   3  19.197  40.358  24.678
   21    HE1  TYR   3           HE1      TYR   3  21.796  38.069  28.116
   22    HE2  TYR   3           HE2      TYR   3  21.672  40.406  24.474
   23    HH   TYR   3           HH       TYR   3  23.682  39.763  25.628
   24    H    DHI   4           H        DHI   4  15.676  39.070  24.059
   25    HA   DHI   4           HA       DHI   4  16.509  37.067  22.068
   26    HB2  DHI   4           HB1      DHI   4  18.086  38.298  21.077
   27    HB3  DHI   4           HB2      DHI   4  18.356  38.889  22.744
   28    HD1  DHI   4           HD1      DHI   4  18.194  40.291  19.577
   29    HD2  DHI   4           HD2      DHI   4  16.646  41.318  23.314
   30    HE1  DHI   4           HE1      DHI   4  17.620  42.888  19.456
   31    HE2  DHI   4           HE2      DHI   4  16.773  43.444  21.717
   32    HA   PRO   5           HA       PRO   5  13.502  39.535  19.403
   33    HB2  PRO   5           HB2      PRO   5  13.541  36.705  18.124
   34    HB3  PRO   5           HB1      PRO   5  13.193  38.263  17.385
   35    HG2  PRO   5           HG2      PRO   5  15.505  36.946  17.326
   36    HG3  PRO   5           HG1      PRO   5  15.583  38.742  17.525
   37    HD2  PRO   5           HD2      PRO   5  15.929  36.416  19.385
   38    HD3  PRO   5           HD1      PRO   5  16.879  37.858  19.484
   39    H    LYS   6           H        LYS   6  11.195  39.344  19.499
   40    HA   LYS   6           HA       LYS   6  10.400  37.895  21.719
   41    HB2  LYS   6           HB2      LYS   6   9.488  40.107  20.488
   42    HB3  LYS   6           HB1      LYS   6   8.482  38.880  19.659
   43    HG2  LYS   6           HG2      LYS   6   7.497  40.224  21.577
   44    HG3  LYS   6           HG1      LYS   6   7.226  38.416  21.619
   45    HD2  LYS   6           HD2      LYS   6   8.853  38.160  23.227
   46    HD3  LYS   6           HD1      LYS   6   9.529  39.752  23.057
   47    HE2  LYS   6           HE2      LYS   6   7.417  40.785  23.929
   48    HE3  LYS   6           HE1      LYS   6   6.876  39.176  24.362
   49    HZ1  LYS   6           HZ1      LYS   6   8.053  40.185  26.174
   50    HZ2  LYS   6           HZ2      LYS   6   9.315  40.579  25.209
   51    HZ3  LYS   6           HZ3      LYS   6   9.179  39.074  25.666
   52    H    ASP   7           H        ASP   7  10.081  36.851  18.224
   53    HA   ASP   7           HA       ASP   7   8.726  34.533  18.878
   54    HB2  ASP   7           HB2      ASP   7  10.844  35.125  16.876
   55    HB3  ASP   7           HB1      ASP   7   9.774  33.751  16.776
   56    H    LEU   8           H        LEU   8  12.171  35.292  19.474
   57    HA   LEU   8           HA       LEU   8  12.476  32.528  20.374
   58    HB2  LEU   8           HB2      LEU   8  14.498  34.770  20.553
   59    HB3  LEU   8           HB1      LEU   8  14.760  33.042  20.776
   60    HG   LEU   8           HG       LEU   8  14.405  34.428  18.202
   61   HD11  LEU   8          1HD1      LEU   8  16.625  34.392  19.312
   62   HD12  LEU   8          2HD1      LEU   8  16.598  33.700  17.725
   63   HD13  LEU   8          3HD1      LEU   8  16.677  32.633  19.090
   64   HD21  LEU   8          1HD2      LEU   8  13.050  32.091  18.267
   65   HD22  LEU   8          2HD2      LEU   8  14.744  31.457  18.234
   66   HD23  LEU   8          3HD2      LEU   8  14.282  32.442  17.021
   67    H    DGN   9           H        DGN   9  14.052  34.606  22.423
   68    HA   DGN   9           HA       DGN   9  12.384  33.630  24.650
   69    HB2  DGN   9           HB1      DGN   9  13.820  36.374  24.484
   70    HB3  DGN   9           HB2      DGN   9  12.881  35.786  25.838
   71    HG2  DGN   9           HG1      DGN   9  10.859  35.732  24.256
   72    HG3  DGN   9           HG2      DGN   9  11.818  36.498  23.092
   73   HE21  DGN   9          1HE2      DGN   9  12.862  38.447  23.318
   74   HE22  DGN   9          2HE2      DGN   9  12.340  39.653  24.539
  Start of MODEL   19
    1    HA   DPR   1           HA       DPR   1  15.967  32.066  26.723
    2    HB2  DPR   1           HB1      DPR   1  14.190  31.994  29.144
    3    HB3  DPR   1           HB2      DPR   1  15.644  31.001  28.695
    4    HG2  DPR   1           HG1      DPR   1  13.002  30.101  28.344
    5    HG3  DPR   1           HG2      DPR   1  14.273  29.849  27.082
    6    HD2  DPR   1           HD1      DPR   1  12.014  31.758  27.003
    7    HD3  DPR   1           HD2      DPR   1  12.908  30.829  25.747
    8    HA   PRO   2           HA       PRO   2  16.544  35.573  29.602
    9    HB2  PRO   2           HB2      PRO   2  19.220  35.955  28.508
   10    HB3  PRO   2           HB1      PRO   2  18.675  35.628  30.208
   11    HG2  PRO   2           HG2      PRO   2  19.944  33.699  28.771
   12    HG3  PRO   2           HG1      PRO   2  18.629  33.391  29.995
   13    HD2  PRO   2           HD2      PRO   2  18.346  33.322  27.032
   14    HD3  PRO   2           HD1      PRO   2  17.648  32.259  28.233
   15    H    TYR   3           H        TYR   3  17.108  35.577  26.030
   16    HA   TYR   3           HA       TYR   3  16.197  38.261  25.925
   17    HB2  TYR   3           HB2      TYR   3  18.070  39.447  25.384
   18    HB3  TYR   3           HB1      TYR   3  18.735  38.311  26.466
   19    HD1  TYR   3           HD1      TYR   3  19.422  35.947  25.534
   20    HD2  TYR   3           HD2      TYR   3  19.724  39.698  23.447
   21    HE1  TYR   3           HE1      TYR   3  21.120  34.957  24.026
   22    HE2  TYR   3           HE2      TYR   3  21.211  38.675  21.838
   23    HH   TYR   3           HH       TYR   3  22.213  36.814  21.150
   24    H    DHI   4           H        DHI   4  15.935  39.162  23.542
   25    HA   DHI   4           HA       DHI   4  15.552  37.138  21.604
   26    HB2  DHI   4           HB1      DHI   4  17.921  38.932  21.771
   27    HB3  DHI   4           HB2      DHI   4  17.310  38.737  20.191
   28    HD1  DHI   4           HD1      DHI   4  17.895  35.806  22.496
   29    HD2  DHI   4           HD2      DHI   4  19.037  37.569  18.944
   30    HE1  DHI   4           HE1      DHI   4  19.312  33.959  21.210
   31    HE2  DHI   4           HE2      DHI   4  19.992  35.025  19.063
   32    HA   PRO   5           HA       PRO   5  13.929  40.859  19.636
   33    HB2  PRO   5           HB2      PRO   5  12.792  39.507  17.504
   34    HB3  PRO   5           HB1      PRO   5  14.234  40.539  17.551
   35    HG2  PRO   5           HG2      PRO   5  14.324  37.648  17.018
   36    HG3  PRO   5           HG1      PRO   5  15.679  38.677  17.614
   37    HD2  PRO   5           HD2      PRO   5  13.755  37.185  19.240
   38    HD3  PRO   5           HD1      PRO   5  15.475  37.149  19.198
   39    H    LYS   6           H        LYS   6  11.800  38.024  19.210
   40    HA   LYS   6           HA       LYS   6  10.243  38.715  21.534
   41    HB2  LYS   6           HB2      LYS   6   8.100  38.990  20.591
   42    HB3  LYS   6           HB1      LYS   6   9.097  40.134  19.802
   43    HG2  LYS   6           HG2      LYS   6   9.503  38.553  17.893
   44    HG3  LYS   6           HG1      LYS   6   8.310  37.481  18.677
   45    HD2  LYS   6           HD2      LYS   6   7.661  40.330  17.867
   46    HD3  LYS   6           HD1      LYS   6   7.356  38.791  16.869
   47    HE2  LYS   6           HE2      LYS   6   5.965  37.960  18.544
   48    HE3  LYS   6           HE1      LYS   6   6.079  39.579  19.473
   49    HZ1  LYS   6           HZ1      LYS   6   5.008  40.636  17.702
   50    HZ2  LYS   6           HZ2      LYS   6   4.066  39.362  18.051
   51    HZ3  LYS   6           HZ3      LYS   6   4.971  39.186  16.861
   52    H    ASP   7           H        ASP   7  10.699  36.625  18.649
   53    HA   ASP   7           HA       ASP   7   9.197  34.555  19.668
   54    HB2  ASP   7           HB2      ASP   7   9.668  34.916  17.369
   55    HB3  ASP   7           HB1      ASP   7  11.420  34.460  17.569
   56    H    LEU   8           H        LEU   8  12.646  35.238  20.068
   57    HA   LEU   8           HA       LEU   8  13.280  32.420  20.264
   58    HB2  LEU   8           HB2      LEU   8  15.120  34.755  20.608
   59    HB3  LEU   8           HB1      LEU   8  15.531  33.063  20.245
   60    HG   LEU   8           HG       LEU   8  14.197  34.918  18.336
   61   HD11  LEU   8          1HD1      LEU   8  16.230  35.115  17.288
   62   HD12  LEU   8          2HD1      LEU   8  17.037  33.806  18.198
   63   HD13  LEU   8          3HD1      LEU   8  16.740  35.341  19.006
   64   HD21  LEU   8          1HD2      LEU   8  13.443  32.823  17.711
   65   HD22  LEU   8          2HD2      LEU   8  15.033  32.050  17.944
   66   HD23  LEU   8          3HD2      LEU   8  14.876  33.276  16.692
   67    H    DGN   9           H        DGN   9  13.021  34.815  22.877
   68    HA   DGN   9           HA       DGN   9  12.370  32.350  24.186
   69    HB2  DGN   9           HB1      DGN   9  12.254  35.243  24.881
   70    HB3  DGN   9           HB2      DGN   9  11.545  34.013  25.973
   71    HG2  DGN   9           HG1      DGN   9  10.070  33.396  23.897
   72    HG3  DGN   9           HG2      DGN   9  10.785  34.806  23.118
   73   HE21  DGN   9          1HE2      DGN   9   9.227  36.480  23.196
   74   HE22  DGN   9          2HE2      DGN   9   8.610  37.043  24.724
  Start of MODEL   20
    1    HA   DPR   1           HA       DPR   1  16.465  32.661  25.947
    2    HB2  DPR   1           HB1      DPR   1  15.102  31.704  28.439
    3    HB3  DPR   1           HB2      DPR   1  16.684  31.188  27.698
    4    HG2  DPR   1           HG1      DPR   1  14.328  29.745  27.437
    5    HG3  DPR   1           HG2      DPR   1  15.436  29.724  26.085
    6    HD2  DPR   1           HD1      DPR   1  12.907  31.227  26.662
    7    HD3  DPR   1           HD2      DPR   1  13.481  30.666  25.093
    8    HA   PRO   2           HA       PRO   2  15.886  35.476  29.491
    9    HB2  PRO   2           HB2      PRO   2  18.336  36.209  30.120
   10    HB3  PRO   2           HB1      PRO   2  17.636  34.762  30.597
   11    HG2  PRO   2           HG2      PRO   2  19.434  35.166  28.207
   12    HG3  PRO   2           HG1      PRO   2  19.533  34.013  29.589
   13    HD2  PRO   2           HD2      PRO   2  18.454  33.588  26.977
   14    HD3  PRO   2           HD1      PRO   2  17.904  32.661  28.450
   15    H    TYR   3           H        TYR   3  17.453  36.025  26.350
   16    HA   TYR   3           HA       TYR   3  16.136  38.605  26.058
   17    HB2  TYR   3           HB2      TYR   3  18.159  39.902  25.745
   18    HB3  TYR   3           HB1      TYR   3  17.820  39.475  27.371
   19    HD1  TYR   3           HD1      TYR   3  20.362  39.014  24.516
   20    HD2  TYR   3           HD2      TYR   3  19.126  37.883  28.510
   21    HE1  TYR   3           HE1      TYR   3  22.529  38.068  24.899
   22    HE2  TYR   3           HE2      TYR   3  21.302  36.873  28.846
   23    HH   TYR   3           HH       TYR   3  23.607  36.516  27.864
   24    H    DHI   4           H        DHI   4  15.860  39.132  24.116
   25    HA   DHI   4           HA       DHI   4  16.362  37.293  21.953
   26    HB2  DHI   4           HB1      DHI   4  17.938  38.413  20.811
   27    HB3  DHI   4           HB2      DHI   4  18.507  38.824  22.361
   28    HD1  DHI   4           HD1      DHI   4  18.031  39.933  19.129
   29    HD2  DHI   4           HD2      DHI   4  17.054  41.661  22.863
   30    HE1  DHI   4           HE1      DHI   4  17.520  42.457  18.711
   31    HE2  DHI   4           HE2      DHI   4  16.972  43.389  21.072
   32    HA   PRO   5           HA       PRO   5  14.247  40.703  20.004
   33    HB2  PRO   5           HB2      PRO   5  13.183  38.924  17.787
   34    HB3  PRO   5           HB1      PRO   5  14.269  40.362  17.646
   35    HG2  PRO   5           HG2      PRO   5  15.123  37.727  17.361
   36    HG3  PRO   5           HG1      PRO   5  16.100  39.242  17.931
   37    HD2  PRO   5           HD2      PRO   5  14.634  37.012  19.550
   38    HD3  PRO   5           HD1      PRO   5  16.297  37.495  19.765
   39    H    LYS   6           H        LYS   6  12.265  37.739  19.453
   40    HA   LYS   6           HA       LYS   6  10.422  38.612  21.510
   41    HB2  LYS   6           HB2      LYS   6   9.819  40.041  19.526
   42    HB3  LYS   6           HB1      LYS   6   9.486  38.513  18.648
   43    HG2  LYS   6           HG2      LYS   6   7.665  38.213  20.312
   44    HG3  LYS   6           HG1      LYS   6   8.122  39.882  20.885
   45    HD2  LYS   6           HD2      LYS   6   7.435  40.831  18.720
   46    HD3  LYS   6           HD1      LYS   6   6.844  39.248  18.207
   47    HE2  LYS   6           HE2      LYS   6   6.094  40.906  20.517
   48    HE3  LYS   6           HE1      LYS   6   5.092  40.667  19.099
   49    HZ1  LYS   6           HZ1      LYS   6   5.525  38.525  21.167
   50    HZ2  LYS   6           HZ2      LYS   6   4.851  38.354  19.620
   51    HZ3  LYS   6           HZ3      LYS   6   4.179  39.334  20.584
   52    H    ASP   7           H        ASP   7  10.299  36.265  18.559
   53    HA   ASP   7           HA       ASP   7   8.821  34.635  20.375
   54    HB2  ASP   7           HB2      ASP   7   8.750  34.933  17.873
   55    HB3  ASP   7           HB1      ASP   7  10.061  33.645  17.839
   56    H    LEU   8           H        LEU   8  12.220  34.650  19.558
   57    HA   LEU   8           HA       LEU   8  12.444  31.777  19.956
   58    HB2  LEU   8           HB2      LEU   8  14.678  33.785  19.955
   59    HB3  LEU   8           HB1      LEU   8  14.814  32.124  19.979
   60    HG   LEU   8           HG       LEU   8  13.450  33.577  17.763
   61   HD11  LEU   8          1HD1      LEU   8  16.300  32.527  17.856
   62   HD12  LEU   8          2HD1      LEU   8  15.743  34.188  17.915
   63   HD13  LEU   8          3HD1      LEU   8  15.517  33.236  16.407
   64   HD21  LEU   8          1HD2      LEU   8  14.640  30.752  17.702
   65   HD22  LEU   8          2HD2      LEU   8  13.704  31.366  16.429
   66   HD23  LEU   8          3HD2      LEU   8  12.929  30.990  17.932
   67    H    DGN   9           H        DGN   9  12.075  34.125  22.307
   68    HA   DGN   9           HA       DGN   9  12.252  32.862  24.727
   69    HB2  DGN   9           HB1      DGN   9  12.905  35.050  25.593
   70    HB3  DGN   9           HB2      DGN   9  11.696  35.200  24.457
   71    HG2  DGN   9           HG1      DGN   9  13.270  35.705  22.628
   72    HG3  DGN   9           HG2      DGN   9  14.608  35.692  23.833
   73   HE21  DGN   9          1HE2      DGN   9  11.482  37.278  23.035
   74   HE22  DGN   9          2HE2      DGN   9  11.903  38.864  23.704